data_5316 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the N-terminal 283-Residue Fragment of the HIV-1 Gag Polyprotein ; _BMRB_accession_number 5316 _BMRB_flat_file_name bmr5316.str _Entry_type original _Submission_date 2002-03-09 _Accession_date 2002-03-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tang Chun . . 2 Ndassa Yasmine . . 3 Summers Michael F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1312 "13C chemical shifts" 1138 "15N chemical shifts" 273 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-07-03 original author 'original release' 2003-10-06 update BMRB 'Addition of relation loop' stop_ loop_ _Related_BMRB_accession_number _Relationship 5960 'myristoylated HIV-1 matrix' stop_ _Original_release_date 2002-03-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the N-terminal 283-Residue Fragment of the HIV-1 Gag Polyprotein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12032547 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tang Chun . . 2 Ndassa Yasmine . . 3 Summers Michael F. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 9 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 537 _Page_last 543 _Year 2002 _Details . loop_ _Keyword Gag HIV-1 stop_ save_ ################################## # Molecular system description # ################################## save_system_gag_p55 _Saveframe_category molecular_system _Mol_system_name gag _Abbreviation_common 'gag, p55' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Gag283 $Gag283 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Gag283 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common matrix-capsid _Abbreviation_common Gag283 _Molecular_mass 32216.6 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 288 _Mol_residue_sequence ; GARASVLSGGELDKWEKIRL RPGGKKQYKLKHIVWASREL ERFAVNPGLLETSEGCRQIL GQLQPSLQTGSEELRSLYNT IAVLYCVHQRIDVKDTKEAL DKIEEEQNKSKKKAQQAAAD TGNNSQVSQNYPIVQNLQGQ MVHQAISPRTLNAWVKVVEE KAFSPEVIPMFSALSEGATP QDLNTMLNTVGGHQAAMQML KETINEEAAEWDRLHPVHAG PIAPGQMREPRGSDIAGTTS TLQEQIGWMTHNPPIPVGEI YKRWIILGLNKIVRMYSPTS ILHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ALA 3 4 ARG 4 5 ALA 5 6 SER 6 7 VAL 7 8 LEU 8 9 SER 9 10 GLY 10 11 GLY 11 12 GLU 12 13 LEU 13 14 ASP 14 15 LYS 15 16 TRP 16 17 GLU 17 18 LYS 18 19 ILE 19 20 ARG 20 21 LEU 21 22 ARG 22 23 PRO 23 24 GLY 24 25 GLY 25 26 LYS 26 27 LYS 27 28 GLN 28 29 TYR 29 30 LYS 30 31 LEU 31 32 LYS 32 33 HIS 33 34 ILE 34 35 VAL 35 36 TRP 36 37 ALA 37 38 SER 38 39 ARG 39 40 GLU 40 41 LEU 41 42 GLU 42 43 ARG 43 44 PHE 44 45 ALA 45 46 VAL 46 47 ASN 47 48 PRO 48 49 GLY 49 50 LEU 50 51 LEU 51 52 GLU 52 53 THR 53 54 SER 54 55 GLU 55 56 GLY 56 57 CYS 57 58 ARG 58 59 GLN 59 60 ILE 60 61 LEU 61 62 GLY 62 63 GLN 63 64 LEU 64 65 GLN 65 66 PRO 66 67 SER 67 68 LEU 68 69 GLN 69 70 THR 70 71 GLY 71 72 SER 72 73 GLU 73 74 GLU 74 75 LEU 75 76 ARG 76 77 SER 77 78 LEU 78 79 TYR 79 80 ASN 80 81 THR 81 82 ILE 82 83 ALA 83 84 VAL 84 85 LEU 85 86 TYR 86 87 CYS 87 88 VAL 88 89 HIS 89 90 GLN 90 91 ARG 91 92 ILE 92 93 ASP 93 94 VAL 94 95 LYS 95 96 ASP 96 97 THR 97 98 LYS 98 99 GLU 99 100 ALA 100 101 LEU 101 102 ASP 102 103 LYS 103 104 ILE 104 105 GLU 105 106 GLU 106 107 GLU 107 108 GLN 108 109 ASN 109 110 LYS 110 111 SER 111 112 LYS 112 113 LYS 113 114 LYS 114 115 ALA 115 116 GLN 116 117 GLN 117 118 ALA 118 119 ALA 119 120 ALA 120 121 ASP 121 122 THR 122 123 GLY 123 124 ASN 124 125 ASN 125 126 SER 126 127 GLN 127 128 VAL 128 129 SER 129 130 GLN 130 131 ASN 131 132 TYR 132 133 PRO 133 134 ILE 134 135 VAL 135 136 GLN 136 137 ASN 137 138 LEU 138 139 GLN 139 140 GLY 140 141 GLN 141 142 MET 142 143 VAL 143 144 HIS 144 145 GLN 145 146 ALA 146 147 ILE 147 148 SER 148 149 PRO 149 150 ARG 150 151 THR 151 152 LEU 152 153 ASN 153 154 ALA 154 155 TRP 155 156 VAL 156 157 LYS 157 158 VAL 158 159 VAL 159 160 GLU 160 161 GLU 161 162 LYS 162 163 ALA 163 164 PHE 164 165 SER 165 166 PRO 166 167 GLU 167 168 VAL 168 169 ILE 169 170 PRO 170 171 MET 171 172 PHE 172 173 SER 173 174 ALA 174 175 LEU 175 176 SER 176 177 GLU 177 178 GLY 178 179 ALA 179 180 THR 180 181 PRO 181 182 GLN 182 183 ASP 183 184 LEU 184 185 ASN 185 186 THR 186 187 MET 187 188 LEU 188 189 ASN 189 190 THR 190 191 VAL 191 192 GLY 192 193 GLY 193 194 HIS 194 195 GLN 195 196 ALA 196 197 ALA 197 198 MET 198 199 GLN 199 200 MET 200 201 LEU 201 202 LYS 202 203 GLU 203 204 THR 204 205 ILE 205 206 ASN 206 207 GLU 207 208 GLU 208 209 ALA 209 210 ALA 210 211 GLU 211 212 TRP 212 213 ASP 213 214 ARG 214 215 LEU 215 216 HIS 216 217 PRO 217 218 VAL 218 219 HIS 219 220 ALA 220 221 GLY 221 222 PRO 222 223 ILE 223 224 ALA 224 225 PRO 225 226 GLY 226 227 GLN 227 228 MET 228 229 ARG 229 230 GLU 230 231 PRO 231 232 ARG 232 233 GLY 233 234 SER 234 235 ASP 235 236 ILE 236 237 ALA 237 238 GLY 238 239 THR 239 240 THR 240 241 SER 241 242 THR 242 243 LEU 243 244 GLN 244 245 GLU 245 246 GLN 246 247 ILE 247 248 GLY 248 249 TRP 249 250 MET 250 251 THR 251 252 HIS 252 253 ASN 253 254 PRO 254 255 PRO 255 256 ILE 256 257 PRO 257 258 VAL 258 259 GLY 259 260 GLU 260 261 ILE 261 262 TYR 262 263 LYS 263 264 ARG 264 265 TRP 265 266 ILE 266 267 ILE 267 268 LEU 268 269 GLY 269 270 LEU 270 271 ASN 271 272 LYS 272 273 ILE 273 274 VAL 274 275 ARG 275 276 MET 276 277 TYR 277 278 SER 278 279 PRO 279 280 THR 280 281 SER 281 282 ILE 282 283 LEU 283 284 HIS 284 285 HIS 285 286 HIS 286 287 HIS 287 288 HIS 288 289 HIS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1L6N 'Structure Of The N-Terminal 283-Residue Fragment Of The Hiv- 1 Gag Polyprotein' 100.00 289 100.00 100.00 3.93e-169 GenBank AAA44987 'gag polyprotein' 97.92 500 100.00 100.00 1.60e-164 GenBank AAB60571 'Gag polyprotein precursor' 97.92 500 100.00 100.00 1.60e-164 GenBank AAC28445 'gag protein [Human immunodeficiency virus type 1]' 97.92 500 98.58 98.94 2.96e-162 GenBank AAK08483 'gag polyprotein [HIV-1 vector pNL4-3]' 97.92 500 100.00 100.00 1.60e-164 GenBank AAX32941 'gag protein [Human immunodeficiency virus 1]' 97.92 500 99.29 100.00 1.71e-163 SWISS-PROT P12493 ; Gag polyprotein (Pr55Gag) [Contains: Matrix protein p17 (MA); Capsid protein p24 (CA); Spacer peptide p2; Nucleocapsid protein p7 (NC); Spacer peptide p1; p6-gag] ; 97.92 500 100.00 100.00 1.60e-164 SWISS-PROT P12497 ; Gag-Pol polyprotein (Pr160Gag-Pol) [Contains: Matrix protein p17 (MA); Capsid protein p24 (CA); Spacer peptide p2; Nucleocapsid protein p7 (NC); Transframe peptide (TF); p6-pol (p6*); Protease (Retropepsin) (PR); Reverse transcriptase/ribonuclease H (p66 RT); p51 RT; p15; Integrase (IN)] ; 97.92 1435 100.00 100.00 7.29e-164 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Gag283 HIV 12721 Viruses . Lentivirus 'Human immunodeficiency virus type 1' pNL4-3 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 $Gag283 'recombinant technology' 'E. coli' Escherichia coli 'BL21(DE3) RIL codon plus' . 'Six histidine residues were engineered to the C-terminal of the protein.' 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 $Gag283 1.0 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 50 mM . NaCl 100 mM . beta-mecaptoethanol 5 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version . loop_ _Task 'spectra processing' stop_ _Details . save_ save_NMRDRAW _Saveframe_category software _Name NMRDRAW _Version . loop_ _Task 'spectra processing' stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 5.0.3 loop_ _Task 'spectra analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-15N_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label . save_ save_15N-edited_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HSQC' _Sample_label . save_ save_15N-edited_TOCSY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY-HSQC' _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_15N,15N-edited_HSQC-NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N,15N-edited HSQC-NOESY-HSQC' _Sample_label . save_ save_15N,13C-edited_HSQC-NOESY-HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N,13C-edited HSQC-NOESY-HMQC' _Sample_label . save_ save_13C,13C-edited_HMQC-NOESY-HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C,13C-edited HMQC-NOESY-HMQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 0.01 M pH 5.0 0.1 n/a temperature 303.3 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Reference_correction_type DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 . H2O H 1 protons ppm 4.725167 internal indirect . internal . 1.0 temperature DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' '1H-15N TROSY' '15N-edited NOESY-HSQC' '15N-edited TOCSY-HSQC' HNCA HN(CO)CA HNCO HNHA '15N,15N-edited HSQC-NOESY-HSQC' '15N,13C-edited HSQC-NOESY-HMQC' '13C,13C-edited HMQC-NOESY-HMQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Gag283 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY CA C 43.120 0.05 1 2 . 1 GLY HA2 H 3.845 0.08 1 3 . 2 ALA N N 123.916 0.05 1 4 . 2 ALA H H 8.574 0.02 1 5 . 2 ALA CA C 52.469 0.05 1 6 . 2 ALA HA H 4.324 0.08 1 7 . 2 ALA CB C 19.285 0.20 1 8 . 2 ALA HB H 1.359 0.08 1 9 . 2 ALA C C 177.613 0.05 1 10 . 3 ARG N N 120.529 0.05 1 11 . 3 ARG H H 8.403 0.02 1 12 . 3 ARG CA C 55.959 0.05 1 13 . 3 ARG HA H 4.239 0.08 1 14 . 3 ARG CB C 30.705 0.20 1 15 . 3 ARG HB2 H 1.770 0.08 1 16 . 3 ARG CG C 27.006 0.20 1 17 . 3 ARG HG2 H 1.641 0.08 1 18 . 3 ARG C C 175.901 0.05 1 19 . 4 ALA N N 125.353 0.05 1 20 . 4 ALA H H 8.336 0.02 1 21 . 4 ALA CA C 52.259 0.05 1 22 . 4 ALA HA H 4.288 0.08 1 23 . 4 ALA CB C 19.279 0.20 1 24 . 4 ALA HB H 1.321 0.08 1 25 . 4 ALA C C 177.306 0.05 1 26 . 5 SER N N 114.829 0.05 1 27 . 5 SER H H 8.135 0.02 1 28 . 5 SER CA C 57.646 0.05 1 29 . 5 SER HA H 4.436 0.08 1 30 . 5 SER CB C 63.768 0.20 1 31 . 5 SER HB2 H 3.787 0.08 1 32 . 5 SER C C 174.374 0.05 1 33 . 6 VAL N N 121.898 0.05 1 34 . 6 VAL H H 8.180 0.02 1 35 . 6 VAL CA C 65.572 0.05 1 36 . 6 VAL HA H 3.591 0.08 1 37 . 6 VAL CB C 31.854 0.20 1 38 . 6 VAL HB H 1.840 0.08 1 39 . 6 VAL CG2 C 22.200 0.20 1 40 . 6 VAL HG2 H 0.730 0.08 1 41 . 6 VAL CG1 C 22.200 0.20 1 42 . 6 VAL HG1 H 0.730 0.08 1 43 . 6 VAL C C 174.512 0.05 1 44 . 7 LEU N N 115.682 0.05 1 45 . 7 LEU H H 7.430 0.02 1 46 . 7 LEU CA C 52.368 0.05 1 47 . 7 LEU HA H 4.896 0.08 1 48 . 7 LEU CB C 43.977 0.20 1 49 . 7 LEU HB3 H 1.190 0.08 2 50 . 7 LEU HB2 H 1.433 0.08 2 51 . 7 LEU CG C 25.922 0.20 1 52 . 7 LEU HG H 1.046 0.08 1 53 . 7 LEU CD1 C 22.823 0.20 2 54 . 7 LEU HD1 H 0.257 0.08 2 55 . 7 LEU CD2 C 25.912 0.20 1 56 . 7 LEU HD2 H 0.132 0.08 2 57 . 7 LEU C C 176.900 0.05 1 58 . 8 SER N N 118.446 0.05 1 59 . 8 SER H H 9.192 0.02 1 60 . 8 SER CA C 57.089 0.05 1 61 . 8 SER HA H 4.562 0.08 1 62 . 8 SER CB C 65.114 0.20 1 63 . 8 SER HB3 H 3.866 0.08 2 64 . 8 SER HB2 H 4.113 0.08 2 65 . 8 SER C C 175.188 0.05 1 66 . 9 GLY N N 109.448 0.05 1 67 . 9 GLY H H 8.963 0.02 1 68 . 9 GLY CA C 47.646 0.05 1 69 . 9 GLY HA2 H 3.957 0.08 1 70 . 9 GLY C C 176.701 0.05 1 71 . 10 GLY N N 111.146 0.05 1 72 . 10 GLY H H 8.757 0.02 1 73 . 10 GLY CA C 46.313 0.05 1 74 . 10 GLY HA3 H 3.975 0.08 2 75 . 10 GLY HA2 H 3.766 0.08 2 76 . 10 GLY C C 176.754 0.05 1 77 . 11 GLU N N 120.478 0.05 1 78 . 11 GLU H H 7.750 0.02 1 79 . 11 GLU CA C 59.064 0.05 1 80 . 11 GLU HA H 3.891 0.08 1 81 . 11 GLU CB C 31.132 0.20 1 82 . 11 GLU HB3 H 1.754 0.08 2 83 . 11 GLU HB2 H 2.276 0.08 2 84 . 11 GLU CG C 37.107 0.20 1 85 . 11 GLU HG3 H 2.561 0.08 2 86 . 11 GLU HG2 H 2.050 0.08 2 87 . 11 GLU C C 178.519 0.05 1 88 . 12 LEU N N 121.475 0.05 1 89 . 12 LEU H H 8.411 0.02 1 90 . 12 LEU CA C 57.792 0.05 1 91 . 12 LEU HA H 4.073 0.08 1 92 . 12 LEU CB C 40.792 0.20 1 93 . 12 LEU HB3 H 1.883 0.08 2 94 . 12 LEU HB2 H 1.376 0.08 2 95 . 12 LEU CG C 27.026 0.20 1 96 . 12 LEU HG H 1.655 0.08 1 97 . 12 LEU CD1 C 25.280 0.20 2 98 . 12 LEU HD1 H 0.925 0.08 2 99 . 12 LEU CD2 C 23.868 0.20 2 100 . 12 LEU HD2 H 0.960 0.08 2 101 . 12 LEU C C 177.687 0.05 1 102 . 13 ASP N N 116.647 0.05 1 103 . 13 ASP H H 7.590 0.02 1 104 . 13 ASP CA C 56.871 0.05 1 105 . 13 ASP HA H 4.354 0.08 1 106 . 13 ASP CB C 40.618 0.20 1 107 . 13 ASP HB2 H 2.707 0.08 1 108 . 13 ASP C C 178.474 0.05 1 109 . 14 LYS N N 115.863 0.05 1 110 . 14 LYS H H 7.141 0.02 1 111 . 14 LYS CA C 58.257 0.05 1 112 . 14 LYS HA H 4.055 0.08 1 113 . 14 LYS CB C 32.207 0.20 1 114 . 14 LYS HB3 H 1.785 0.08 2 115 . 14 LYS HB2 H 2.099 0.08 2 116 . 14 LYS CG C 24.569 0.20 1 117 . 14 LYS HG2 H 1.589 0.08 1 118 . 14 LYS CD C 28.520 0.20 1 119 . 14 LYS HD2 H 1.665 0.08 1 120 . 14 LYS CE C 42.124 0.20 1 121 . 14 LYS HE2 H 2.953 0.08 1 122 . 14 LYS C C 179.175 0.05 1 123 . 15 TRP N N 122.145 0.05 1 124 . 15 TRP H H 8.731 0.02 1 125 . 15 TRP CA C 60.159 0.05 1 126 . 15 TRP HA H 4.018 0.08 1 127 . 15 TRP CB C 31.006 0.20 1 128 . 15 TRP HB3 H 3.146 0.08 2 129 . 15 TRP HB2 H 3.526 0.08 2 130 . 15 TRP CD1 C 123.942 0.20 4 131 . 15 TRP HD1 H 6.498 0.08 1 132 . 15 TRP NE1 N 126.741 0.05 1 133 . 15 TRP HE1 H 9.356 0.08 4 134 . 15 TRP CZ2 C 113.750 0.20 4 135 . 15 TRP HZ2 H 7.100 0.08 4 136 . 15 TRP CH2 C 122.178 0.20 1 137 . 15 TRP HH2 H 6.328 0.08 1 138 . 15 TRP CZ3 C 119.568 0.20 4 139 . 15 TRP HZ3 H 7.192 0.08 4 140 . 15 TRP CE3 C 118.849 0.20 4 141 . 15 TRP HE3 H 7.054 0.08 4 142 . 15 TRP C C 175.587 0.05 1 143 . 16 GLU N N 107.878 0.05 1 144 . 16 GLU H H 7.579 0.02 1 145 . 16 GLU CA C 56.304 0.05 1 146 . 16 GLU HA H 4.643 0.08 1 147 . 16 GLU CB C 29.027 0.20 1 148 . 16 GLU HB3 H 2.078 0.08 2 149 . 16 GLU HB2 H 2.277 0.08 2 150 . 16 GLU CG C 36.285 0.20 1 151 . 16 GLU HG3 H 2.580 0.08 2 152 . 16 GLU HG2 H 2.924 0.08 2 153 . 16 GLU C C 177.113 0.05 1 154 . 17 LYS N N 116.103 0.05 1 155 . 17 LYS H H 7.485 0.02 1 156 . 17 LYS CA C 55.386 0.05 1 157 . 17 LYS HA H 4.477 0.08 1 158 . 17 LYS CB C 33.612 0.20 1 159 . 17 LYS HB3 H 1.775 0.08 2 160 . 17 LYS HB2 H 2.043 0.08 2 161 . 17 LYS CG C 25.049 0.20 1 162 . 17 LYS HG2 H 1.589 0.08 1 163 . 17 LYS CD C 28.949 0.20 1 164 . 17 LYS HD3 H 1.648 0.08 2 165 . 17 LYS HD2 H 2.125 0.08 2 166 . 17 LYS C C 177.272 0.05 1 167 . 18 ILE N N 124.438 0.05 1 168 . 18 ILE H H 7.630 0.02 1 169 . 18 ILE CA C 62.979 0.05 1 170 . 18 ILE HA H 3.540 0.08 1 171 . 18 ILE CB C 38.000 0.20 1 172 . 18 ILE HB H 1.602 0.08 1 173 . 18 ILE CG1 C 27.547 0.20 2 174 . 18 ILE HG13 H 0.805 0.08 9 175 . 18 ILE HG12 H 2.031 0.08 9 176 . 18 ILE CD1 C 14.861 0.20 1 177 . 18 ILE HD1 H 0.449 0.08 1 178 . 18 ILE CG2 C 16.462 0.20 2 179 . 18 ILE HG2 H 0.549 0.08 1 180 . 18 ILE C C 175.379 0.05 1 181 . 19 ARG N N 126.060 0.05 1 182 . 19 ARG H H 8.032 0.02 1 183 . 19 ARG CA C 56.120 0.05 1 184 . 19 ARG HA H 4.397 0.08 1 185 . 19 ARG CB C 30.892 0.20 1 186 . 19 ARG HB3 H 1.649 0.08 2 187 . 19 ARG HB2 H 2.006 0.08 2 188 . 19 ARG CG C 28.451 0.20 1 189 . 19 ARG HG3 H 1.618 0.08 2 190 . 19 ARG HG2 H 1.806 0.08 2 191 . 19 ARG C C 176.356 0.05 1 192 . 20 LEU N N 120.795 0.05 1 193 . 20 LEU H H 7.775 0.02 1 194 . 20 LEU CA C 58.189 0.05 1 195 . 20 LEU HA H 3.403 0.08 1 196 . 20 LEU CB C 41.386 0.20 1 197 . 20 LEU HB3 H 1.209 0.08 2 198 . 20 LEU HB2 H 1.417 0.08 2 199 . 20 LEU CG C 27.923 0.20 1 200 . 20 LEU HG H 0.706 0.08 1 201 . 20 LEU CD1 C 24.626 0.20 2 202 . 20 LEU HD1 H 0.187 0.08 2 203 . 20 LEU CD2 C 21.531 0.20 2 204 . 20 LEU HD2 H -0.401 0.08 2 205 . 20 LEU C C 179.634 0.05 1 206 . 21 ARG N N 119.595 0.05 1 207 . 21 ARG H H 9.007 0.02 1 208 . 21 ARG CA C 52.617 0.05 1 209 . 21 ARG HA H 4.836 0.08 1 210 . 21 ARG CB C 31.472 0.20 1 211 . 21 ARG HB3 H 1.595 0.08 2 212 . 21 ARG HB2 H 1.822 0.08 2 213 . 21 ARG CG C 26.405 0.20 1 214 . 21 ARG HG2 H 1.519 0.08 1 215 . 21 ARG CD C 43.104 0.20 1 216 . 21 ARG HD2 H 3.198 0.08 1 217 . 22 PRO CA C 63.295 0.05 1 218 . 22 PRO HA H 4.312 0.08 1 219 . 22 PRO CB C 30.999 0.20 1 220 . 22 PRO HB3 H 1.898 0.08 2 221 . 22 PRO HB2 H 2.227 0.08 2 222 . 22 PRO CG C 27.884 0.20 1 223 . 22 PRO HG2 H 2.069 0.08 1 224 . 22 PRO CD C 50.173 0.20 1 225 . 22 PRO HD2 H 3.717 0.08 1 226 . 22 PRO C C 178.426 0.05 1 227 . 23 GLY N N 112.919 0.05 1 228 . 23 GLY H H 9.148 0.02 1 229 . 23 GLY CA C 45.642 0.05 1 230 . 23 GLY HA3 H 3.784 0.08 2 231 . 23 GLY HA2 H 4.001 0.08 2 232 . 23 GLY C C 174.646 0.05 1 233 . 24 GLY N N 108.106 0.05 1 234 . 24 GLY H H 8.152 0.02 1 235 . 24 GLY CA C 44.541 0.05 1 236 . 24 GLY HA2 H 4.164 0.08 1 237 . 24 GLY C C 173.659 0.05 1 238 . 25 LYS N N 117.805 0.05 1 239 . 25 LYS H H 8.319 0.02 1 240 . 25 LYS CA C 56.805 0.05 1 241 . 25 LYS HA H 4.305 0.08 1 242 . 25 LYS CB C 33.819 0.20 1 243 . 25 LYS HB2 H 1.797 0.08 1 244 . 25 LYS CG C 24.913 0.20 1 245 . 25 LYS HG2 H 1.486 0.08 1 246 . 25 LYS CD C 28.907 0.20 1 247 . 25 LYS HD2 H 1.658 0.08 1 248 . 25 LYS C C 177.656 0.05 1 249 . 26 LYS N N 117.834 0.05 1 250 . 26 LYS H H 7.609 0.02 1 251 . 26 LYS CA C 57.071 0.05 1 252 . 26 LYS HA H 4.321 0.08 1 253 . 26 LYS CB C 33.579 0.20 1 254 . 26 LYS HB2 H 1.794 0.08 1 255 . 26 LYS CG C 25.613 0.20 1 256 . 26 LYS HG2 H 1.548 0.08 1 257 . 26 LYS CD C 30.017 0.20 1 258 . 26 LYS HD2 H 1.885 0.08 1 259 . 26 LYS C C 177.246 0.05 1 260 . 27 GLN N N 122.955 0.05 1 261 . 27 GLN H H 8.420 0.02 1 262 . 27 GLN CA C 54.355 0.05 1 263 . 27 GLN HA H 4.828 0.08 1 264 . 27 GLN CB C 34.730 0.20 1 265 . 27 GLN HB3 H 1.824 0.08 2 266 . 27 GLN HB2 H 2.053 0.08 2 267 . 27 GLN CG C 33.685 0.20 1 268 . 27 GLN HG2 H 2.329 0.08 1 269 . 27 GLN C C 175.039 0.05 1 270 . 28 TYR N N 119.768 0.05 1 271 . 28 TYR H H 7.817 0.02 1 272 . 28 TYR CA C 60.993 0.05 1 273 . 28 TYR HA H 3.652 0.08 1 274 . 28 TYR CB C 36.847 0.20 1 275 . 28 TYR HB3 H 1.503 0.08 2 276 . 28 TYR HB2 H 1.905 0.08 2 277 . 28 TYR CE1 C 116.370 0.20 4 278 . 28 TYR HE1 H 6.380 0.08 4 279 . 28 TYR C C 175.312 0.05 1 280 . 29 LYS N N 118.751 0.05 1 281 . 29 LYS H H 10.613 0.02 1 282 . 29 LYS CA C 53.818 0.05 1 283 . 29 LYS HA H 5.161 0.08 1 284 . 29 LYS CB C 38.401 0.20 1 285 . 29 LYS HB3 H 1.813 0.08 2 286 . 29 LYS HB2 H 2.431 0.08 2 287 . 29 LYS CG C 24.683 0.20 1 288 . 29 LYS HG3 H 0.819 0.08 2 289 . 29 LYS HG2 H 1.686 0.08 2 290 . 29 LYS CD C 28.899 0.20 1 291 . 29 LYS HD2 H 1.768 0.08 1 292 . 29 LYS C C 180.448 0.05 1 293 . 30 LEU N N 128.575 0.05 1 294 . 30 LEU H H 9.818 0.02 1 295 . 30 LEU CA C 59.090 0.05 1 296 . 30 LEU HA H 4.197 0.08 1 297 . 30 LEU CB C 40.901 0.20 1 298 . 30 LEU HB3 H 1.799 0.08 2 299 . 30 LEU HB2 H 2.443 0.08 2 300 . 30 LEU CG C 27.014 0.20 1 301 . 30 LEU HG H 1.734 0.08 1 302 . 30 LEU CD1 C 24.827 0.20 1 303 . 30 LEU HD1 H 0.914 0.08 2 304 . 30 LEU CD2 C 23.576 0.20 2 305 . 30 LEU HD2 H 0.974 0.08 2 306 . 30 LEU C C 179.961 0.05 1 307 . 31 LYS N N 115.778 0.05 1 308 . 31 LYS H H 8.398 0.02 1 309 . 31 LYS CA C 59.045 0.05 1 310 . 31 LYS HA H 4.166 0.08 1 311 . 31 LYS CB C 31.350 0.20 1 312 . 31 LYS HB2 H 1.791 0.08 1 313 . 31 LYS CG C 24.678 0.20 1 314 . 31 LYS HG3 H 0.924 0.08 2 315 . 31 LYS HG2 H 1.728 0.08 2 316 . 31 LYS CD C 29.082 0.20 1 317 . 31 LYS HD2 H 1.517 0.08 1 318 . 31 LYS C C 178.081 0.05 1 319 . 32 HIS N N 119.380 0.05 1 320 . 32 HIS H H 8.106 0.02 1 321 . 32 HIS CA C 62.845 0.05 1 322 . 32 HIS HA H 4.562 0.08 1 323 . 32 HIS CB C 33.673 0.20 1 324 . 32 HIS HB2 H 2.339 0.08 1 325 . 32 HIS CE1 C 137.314 0.20 1 326 . 32 HIS HE1 H 7.567 0.08 3 327 . 32 HIS C C 178.373 0.05 1 328 . 33 ILE N N 119.909 0.05 1 329 . 33 ILE H H 7.897 0.02 1 330 . 33 ILE CA C 63.579 0.05 1 331 . 33 ILE HA H 3.780 0.08 1 332 . 33 ILE CB C 36.645 0.20 1 333 . 33 ILE HB H 2.182 0.08 1 334 . 33 ILE CG1 C 28.603 0.20 2 335 . 33 ILE HG13 H 0.686 0.08 9 336 . 33 ILE HG12 H 1.294 0.08 9 337 . 33 ILE CD1 C 11.352 0.20 1 338 . 33 ILE HD1 H -0.175 0.08 1 339 . 33 ILE CG2 C 17.355 0.20 2 340 . 33 ILE HG2 H 0.735 0.08 1 341 . 33 ILE C C 177.900 0.05 1 342 . 34 VAL N N 122.228 0.05 1 343 . 34 VAL H H 7.762 0.02 1 344 . 34 VAL CA C 66.582 0.05 1 345 . 34 VAL HA H 3.588 0.08 1 346 . 34 VAL CB C 31.794 0.20 1 347 . 34 VAL HB H 2.151 0.08 1 348 . 34 VAL CG2 C 20.845 0.20 2 349 . 34 VAL HG2 H 0.982 0.08 2 350 . 34 VAL CG1 C 21.902 0.20 2 351 . 34 VAL HG1 H 1.018 0.08 2 352 . 34 VAL C C 178.687 0.05 1 353 . 35 TRP N N 120.155 0.05 1 354 . 35 TRP H H 8.447 0.02 1 355 . 35 TRP CA C 61.818 0.05 1 356 . 35 TRP HA H 4.216 0.08 1 357 . 35 TRP CB C 28.139 0.20 1 358 . 35 TRP HB2 H 3.472 0.08 1 359 . 35 TRP CD1 C 127.512 0.20 4 360 . 35 TRP HD1 H 7.392 0.08 1 361 . 35 TRP NE1 N 131.313 0.05 1 362 . 35 TRP HE1 H 10.255 0.08 2 363 . 35 TRP CZ2 C 114.640 0.20 4 364 . 35 TRP HZ2 H 7.440 0.08 4 365 . 35 TRP CH2 C 123.827 0.20 1 366 . 35 TRP HH2 H 7.272 0.08 1 367 . 35 TRP C C 177.407 0.05 1 368 . 36 ALA N N 120.567 0.05 1 369 . 36 ALA H H 8.330 0.02 1 370 . 36 ALA CA C 55.052 0.05 1 371 . 36 ALA HA H 3.372 0.08 1 372 . 36 ALA CB C 17.139 0.20 1 373 . 36 ALA HB H 1.523 0.08 1 374 . 36 ALA C C 178.612 0.05 1 375 . 37 SER N N 111.910 0.05 1 376 . 37 SER H H 8.281 0.02 1 377 . 37 SER CA C 62.696 0.05 1 378 . 37 SER HA H 3.931 0.08 1 379 . 37 SER CB C 63.130 0.20 1 380 . 37 SER HB2 H 3.872 0.08 1 381 . 37 SER C C 175.626 0.05 1 382 . 38 ARG N N 120.232 0.05 1 383 . 38 ARG H H 7.675 0.02 1 384 . 38 ARG CA C 58.457 0.05 1 385 . 38 ARG HA H 4.036 0.08 1 386 . 38 ARG CB C 29.740 0.20 1 387 . 38 ARG HB2 H 1.863 0.08 1 388 . 38 ARG CD C 43.247 0.20 1 389 . 38 ARG HD3 H 3.183 0.08 2 390 . 38 ARG HD2 H 2.952 0.08 2 391 . 38 ARG C C 179.767 0.05 1 392 . 39 GLU N N 120.461 0.05 1 393 . 39 GLU H H 8.301 0.02 1 394 . 39 GLU CA C 58.040 0.05 1 395 . 39 GLU HA H 3.662 0.08 1 396 . 39 GLU CB C 28.986 0.20 1 397 . 39 GLU HB3 H 1.469 0.08 2 398 . 39 GLU HB2 H 1.661 0.08 2 399 . 39 GLU C C 178.314 0.05 1 400 . 40 LEU N N 117.339 0.05 1 401 . 40 LEU H H 8.056 0.02 1 402 . 40 LEU CA C 58.273 0.05 1 403 . 40 LEU HA H 3.925 0.08 1 404 . 40 LEU CB C 39.779 0.20 1 405 . 40 LEU HB3 H 1.427 0.08 2 406 . 40 LEU HB2 H 1.830 0.08 2 407 . 40 LEU CG C 26.192 0.20 1 408 . 40 LEU HG H 2.019 0.08 1 409 . 40 LEU CD1 C 22.276 0.20 2 410 . 40 LEU HD1 H 0.760 0.08 2 411 . 40 LEU CD2 C 26.801 0.20 2 412 . 40 LEU HD2 H 0.850 0.08 2 413 . 40 LEU C C 179.141 0.05 1 414 . 41 GLU N N 117.268 0.05 1 415 . 41 GLU H H 7.566 0.02 1 416 . 41 GLU CA C 59.424 0.05 1 417 . 41 GLU HA H 4.115 0.08 1 418 . 41 GLU CB C 28.924 0.20 1 419 . 41 GLU HB2 H 2.112 0.08 1 420 . 41 GLU CG C 35.882 0.20 1 421 . 41 GLU HG3 H 2.246 0.08 2 422 . 41 GLU HG2 H 2.559 0.08 2 423 . 41 GLU C C 180.328 0.05 1 424 . 42 ARG N N 120.079 0.05 1 425 . 42 ARG H H 7.663 0.02 1 426 . 42 ARG CA C 58.462 0.05 1 427 . 42 ARG HA H 3.959 0.08 1 428 . 42 ARG CB C 29.210 0.20 1 429 . 42 ARG HB2 H 1.655 0.08 1 430 . 42 ARG C C 177.246 0.05 1 431 . 43 PHE N N 117.796 0.05 1 432 . 43 PHE H H 7.557 0.02 1 433 . 43 PHE CA C 57.203 0.05 1 434 . 43 PHE HA H 4.569 0.08 1 435 . 43 PHE CB C 38.669 0.20 1 436 . 43 PHE HB3 H 2.697 0.08 2 437 . 43 PHE HB2 H 3.449 0.08 2 438 . 43 PHE CD1 C 131.080 0.20 2 439 . 43 PHE HD1 H 7.150 0.08 2 440 . 43 PHE CE1 C 133.325 0.20 3 441 . 43 PHE HE1 H 7.012 0.08 3 442 . 43 PHE C C 173.835 0.05 1 443 . 44 ALA N N 119.061 0.05 1 444 . 44 ALA H H 7.924 0.02 1 445 . 44 ALA CA C 53.067 0.05 1 446 . 44 ALA HA H 4.005 0.08 1 447 . 44 ALA CB C 16.222 0.20 1 448 . 44 ALA HB H 1.449 0.08 1 449 . 44 ALA C C 175.759 0.05 1 450 . 45 VAL N N 119.889 0.05 1 451 . 45 VAL H H 7.879 0.02 1 452 . 45 VAL CA C 60.616 0.05 1 453 . 45 VAL HA H 4.100 0.08 1 454 . 45 VAL CB C 33.393 0.20 1 455 . 45 VAL HB H 1.746 0.08 1 456 . 45 VAL CG2 C 22.500 0.20 2 457 . 45 VAL HG2 H 0.850 0.08 2 458 . 45 VAL CG1 C 21.174 0.20 2 459 . 45 VAL HG1 H 0.825 0.08 2 460 . 45 VAL C C 174.906 0.05 1 461 . 46 ASN N N 125.728 0.05 1 462 . 46 ASN H H 8.391 0.02 1 463 . 46 ASN CA C 50.947 0.05 1 464 . 46 ASN HA H 4.629 0.08 1 465 . 46 ASN CB C 39.036 0.20 1 466 . 46 ASN HB2 H 2.866 0.08 1 467 . 47 PRO CA C 64.063 0.05 1 468 . 47 PRO HA H 4.214 0.08 1 469 . 47 PRO CB C 31.627 0.20 1 470 . 47 PRO HB3 H 1.964 0.08 2 471 . 47 PRO HB2 H 2.360 0.08 2 472 . 47 PRO CG C 27.360 0.20 1 473 . 47 PRO HG3 H 1.701 0.08 2 474 . 47 PRO HG2 H 2.002 0.08 2 475 . 47 PRO CD C 50.801 0.20 1 476 . 47 PRO HD3 H 3.828 0.08 2 477 . 47 PRO HD2 H 4.205 0.08 2 478 . 47 PRO C C 178.784 0.05 1 479 . 48 GLY N N 108.489 0.05 1 480 . 48 GLY H H 8.637 0.02 1 481 . 48 GLY CA C 46.309 0.05 1 482 . 48 GLY HA2 H 3.782 0.08 1 483 . 48 GLY C C 176.660 0.05 1 484 . 49 LEU N N 121.915 0.05 1 485 . 49 LEU H H 7.744 0.02 1 486 . 49 LEU CA C 56.938 0.05 1 487 . 49 LEU HA H 4.146 0.08 1 488 . 49 LEU CB C 41.666 0.20 1 489 . 49 LEU HB3 H 1.389 0.08 2 490 . 49 LEU HB2 H 1.695 0.08 2 491 . 49 LEU CG C 27.731 0.20 1 492 . 49 LEU HG H 1.725 0.08 1 493 . 49 LEU CD1 C 25.590 0.20 2 494 . 49 LEU HD1 H 0.947 0.08 2 495 . 49 LEU CD2 C 22.423 0.20 2 496 . 49 LEU HD2 H 0.877 0.08 2 497 . 49 LEU C C 177.713 0.05 1 498 . 50 LEU N N 112.234 0.05 1 499 . 50 LEU H H 7.437 0.02 1 500 . 50 LEU CA C 55.933 0.05 1 501 . 50 LEU HA H 4.168 0.08 1 502 . 50 LEU CB C 42.428 0.20 1 503 . 50 LEU HB3 H 1.775 0.08 2 504 . 50 LEU HB2 H 1.353 0.08 2 505 . 50 LEU CG C 26.532 0.20 1 506 . 50 LEU HG H 1.587 0.08 1 507 . 50 LEU CD1 C 25.425 0.20 2 508 . 50 LEU HD1 H 0.775 0.08 2 509 . 50 LEU CD2 C 23.894 0.20 2 510 . 50 LEU HD2 H 0.728 0.08 2 511 . 50 LEU C C 178.087 0.05 1 512 . 51 GLU N N 114.791 0.05 1 513 . 51 GLU H H 7.521 0.02 1 514 . 51 GLU CA C 58.073 0.05 1 515 . 51 GLU HA H 4.082 0.08 1 516 . 51 GLU CB C 30.536 0.20 1 517 . 51 GLU HB2 H 2.116 0.08 1 518 . 51 GLU CG C 35.839 0.20 1 519 . 51 GLU HG2 H 2.375 0.08 1 520 . 51 GLU C C 175.348 0.05 1 521 . 52 THR N N 103.169 0.05 1 522 . 52 THR H H 7.250 0.02 1 523 . 52 THR CA C 58.062 0.05 1 524 . 52 THR HA H 4.391 0.08 1 525 . 52 THR CB C 73.013 0.20 1 526 . 52 THR HB H 4.510 0.08 1 527 . 52 THR CG2 C 21.222 0.20 1 528 . 52 THR HG2 H 1.091 0.08 1 529 . 52 THR C C 175.059 0.05 1 530 . 53 SER N N 119.529 0.05 1 531 . 53 SER H H 9.330 0.02 1 532 . 53 SER CA C 62.404 0.05 1 533 . 53 SER HA H 4.078 0.08 1 534 . 53 SER CB C 62.335 0.20 1 535 . 53 SER HB2 H 3.775 0.08 1 536 . 53 SER C C 176.019 0.05 1 537 . 54 GLU N N 121.597 0.05 1 538 . 54 GLU H H 8.957 0.02 1 539 . 54 GLU CA C 59.465 0.05 1 540 . 54 GLU HA H 4.065 0.08 1 541 . 54 GLU CB C 28.477 0.20 1 542 . 54 GLU HB2 H 2.009 0.08 1 543 . 54 GLU CG C 35.700 0.20 1 544 . 54 GLU HG2 H 2.351 0.08 1 545 . 54 GLU C C 179.222 0.05 1 546 . 55 GLY N N 110.995 0.05 1 547 . 55 GLY H H 8.546 0.02 1 548 . 55 GLY CA C 47.802 0.05 1 549 . 55 GLY HA3 H 3.733 0.08 2 550 . 55 GLY HA2 H 4.590 0.08 2 551 . 55 GLY C C 177.112 0.05 1 552 . 56 CYS N N 118.643 0.05 1 553 . 56 CYS H H 8.141 0.02 1 554 . 56 CYS CA C 64.753 0.05 1 555 . 56 CYS HA H 3.987 0.08 1 556 . 56 CYS CB C 27.574 0.20 1 557 . 56 CYS HB3 H 2.510 0.08 2 558 . 56 CYS HB2 H 3.522 0.08 2 559 . 56 CYS C C 176.380 0.05 1 560 . 57 ARG N N 119.834 0.05 1 561 . 57 ARG H H 8.513 0.02 1 562 . 57 ARG CA C 59.694 0.05 1 563 . 57 ARG HA H 3.532 0.08 1 564 . 57 ARG CB C 29.850 0.20 1 565 . 57 ARG HB2 H 1.934 0.08 1 566 . 57 ARG CG C 27.302 0.20 1 567 . 57 ARG HG2 H 1.467 0.08 1 568 . 57 ARG CD C 43.139 0.20 1 569 . 57 ARG HD2 H 3.105 0.08 1 570 . 57 ARG C C 179.063 0.05 1 571 . 58 GLN N N 120.170 0.05 1 572 . 58 GLN H H 8.059 0.02 1 573 . 58 GLN CA C 58.887 0.05 1 574 . 58 GLN HA H 4.052 0.08 1 575 . 58 GLN CB C 27.884 0.20 1 576 . 58 GLN HB2 H 2.309 0.08 1 577 . 58 GLN CG C 33.533 0.20 1 578 . 58 GLN HG3 H 2.496 0.08 2 579 . 58 GLN HG2 H 2.330 0.08 2 580 . 58 GLN C C 179.368 0.05 1 581 . 59 ILE N N 120.283 0.05 1 582 . 59 ILE H H 8.178 0.02 1 583 . 59 ILE CA C 65.531 0.05 1 584 . 59 ILE HA H 3.529 0.08 1 585 . 59 ILE CB C 37.708 0.20 1 586 . 59 ILE HB H 1.865 0.08 1 587 . 59 ILE CD1 C 14.747 0.20 1 588 . 59 ILE HD1 H 0.716 0.08 1 589 . 59 ILE CG2 C 17.876 0.20 2 590 . 59 ILE HG2 H 0.817 0.08 1 591 . 59 ILE C C 178.061 0.05 1 592 . 60 LEU N N 119.086 0.05 1 593 . 60 LEU H H 8.382 0.02 1 594 . 60 LEU CA C 58.543 0.05 1 595 . 60 LEU HA H 3.815 0.08 1 596 . 60 LEU CB C 40.518 0.20 1 597 . 60 LEU HB3 H 1.292 0.08 2 598 . 60 LEU HB2 H 1.726 0.08 2 599 . 60 LEU CG C 25.883 0.20 1 600 . 60 LEU HG H 1.649 0.08 1 601 . 60 LEU CD1 C 22.163 0.20 2 602 . 60 LEU HD1 H -0.022 0.08 2 603 . 60 LEU CD2 C 25.201 0.20 2 604 . 60 LEU HD2 H 0.339 0.08 2 605 . 60 LEU C C 179.581 0.05 1 606 . 61 GLY N N 103.756 0.05 1 607 . 61 GLY H H 7.905 0.02 1 608 . 61 GLY CA C 46.835 0.05 1 609 . 61 GLY HA2 H 3.906 0.08 1 610 . 61 GLY C C 176.157 0.05 1 611 . 62 GLN N N 119.946 0.05 1 612 . 62 GLN H H 7.820 0.02 1 613 . 62 GLN CA C 57.996 0.05 1 614 . 62 GLN HA H 4.144 0.08 1 615 . 62 GLN CB C 28.840 0.20 1 616 . 62 GLN HB2 H 2.181 0.08 1 617 . 62 GLN CG C 34.015 0.20 1 618 . 62 GLN HG2 H 2.428 0.08 1 619 . 62 GLN C C 178.306 0.05 1 620 . 63 LEU N N 117.093 0.05 1 621 . 63 LEU H H 8.289 0.02 1 622 . 63 LEU CA C 55.967 0.05 1 623 . 63 LEU HA H 4.258 0.08 1 624 . 63 LEU CB C 43.815 0.20 1 625 . 63 LEU HB3 H 1.464 0.08 2 626 . 63 LEU HB2 H 2.087 0.08 2 627 . 63 LEU CG C 26.480 0.20 1 628 . 63 LEU HG H 1.960 0.08 1 629 . 63 LEU CD1 C 21.103 0.20 2 630 . 63 LEU HD1 H 0.596 0.08 2 631 . 63 LEU CD2 C 25.708 0.20 2 632 . 63 LEU HD2 H 0.693 0.08 2 633 . 63 LEU C C 178.088 0.05 1 634 . 64 GLN N N 119.136 0.05 1 635 . 64 GLN H H 8.123 0.02 1 636 . 64 GLN CA C 61.231 0.05 1 637 . 64 GLN HA H 3.760 0.08 1 638 . 64 GLN CB C 25.676 0.20 1 639 . 64 GLN HB3 H 2.279 0.08 2 640 . 64 GLN HB2 H 2.530 0.08 2 641 . 64 GLN CG C 33.704 0.20 1 642 . 64 GLN HG3 H 2.450 0.08 2 643 . 64 GLN HG2 H 2.295 0.08 2 644 . 65 PRO CA C 65.564 0.05 1 645 . 65 PRO HA H 4.345 0.08 1 646 . 65 PRO CB C 30.899 0.20 1 647 . 65 PRO HB3 H 1.834 0.08 2 648 . 65 PRO HB2 H 2.375 0.08 2 649 . 65 PRO CG C 27.931 0.20 1 650 . 65 PRO HG2 H 2.049 0.08 1 651 . 65 PRO CD C 50.589 0.20 1 652 . 65 PRO HD3 H 3.504 0.08 2 653 . 65 PRO HD2 H 3.780 0.08 2 654 . 65 PRO C C 178.047 0.05 1 655 . 66 SER N N 111.628 0.05 1 656 . 66 SER H H 7.852 0.02 1 657 . 66 SER CA C 59.470 0.05 1 658 . 66 SER HA H 4.455 0.08 1 659 . 66 SER CB C 63.789 0.20 1 660 . 66 SER HB2 H 3.922 0.08 1 661 . 66 SER C C 175.206 0.05 1 662 . 67 LEU N N 121.530 0.05 1 663 . 67 LEU H H 7.691 0.02 1 664 . 67 LEU CA C 57.675 0.05 1 665 . 67 LEU HA H 3.817 0.08 1 666 . 67 LEU CB C 41.492 0.20 1 667 . 67 LEU HB3 H 1.304 0.08 2 668 . 67 LEU HB2 H 1.591 0.08 2 669 . 67 LEU CG C 25.902 0.20 1 670 . 67 LEU HG H 1.418 0.08 1 671 . 67 LEU CD1 C 21.930 0.20 2 672 . 67 LEU HD1 H 0.315 0.08 2 673 . 67 LEU CD2 C 23.820 0.20 2 674 . 67 LEU HD2 H 0.117 0.08 2 675 . 67 LEU C C 179.315 0.05 1 676 . 68 GLN N N 116.473 0.05 1 677 . 68 GLN H H 8.033 0.02 1 678 . 68 GLN CA C 58.103 0.05 1 679 . 68 GLN HA H 4.091 0.08 1 680 . 68 GLN CB C 28.169 0.20 1 681 . 68 GLN HB2 H 2.122 0.08 1 682 . 68 GLN CG C 33.514 0.20 1 683 . 68 GLN HG2 H 2.389 0.08 1 684 . 68 GLN C C 177.112 0.05 1 685 . 69 THR N N 107.367 0.05 1 686 . 69 THR H H 7.539 0.02 1 687 . 69 THR CA C 61.471 0.05 1 688 . 69 THR HA H 4.430 0.08 1 689 . 69 THR CB C 69.436 0.20 1 690 . 69 THR HB H 4.474 0.08 1 691 . 69 THR CG2 C 21.418 0.20 1 692 . 69 THR HG2 H 1.230 0.08 1 693 . 69 THR C C 175.593 0.05 1 694 . 70 GLY N N 109.776 0.05 1 695 . 70 GLY H H 7.742 0.02 1 696 . 70 GLY CA C 45.320 0.05 1 697 . 70 GLY HA3 H 3.868 0.08 2 698 . 70 GLY HA2 H 4.151 0.08 2 699 . 70 GLY C C 173.699 0.05 1 700 . 71 SER N N 114.561 0.05 1 701 . 71 SER H H 7.958 0.02 1 702 . 71 SER CA C 57.217 0.05 1 703 . 71 SER HA H 4.556 0.08 1 704 . 71 SER CB C 64.725 0.20 1 705 . 71 SER HB3 H 3.986 0.08 2 706 . 71 SER HB2 H 4.349 0.08 2 707 . 71 SER C C 175.759 0.05 1 708 . 72 GLU N N 125.364 0.05 1 709 . 72 GLU H H 9.115 0.02 1 710 . 72 GLU CA C 59.181 0.05 1 711 . 72 GLU HA H 4.108 0.08 1 712 . 72 GLU CB C 28.932 0.20 1 713 . 72 GLU HB3 H 2.090 0.08 2 714 . 72 GLU HB2 H 2.366 0.08 2 715 . 72 GLU CG C 35.620 0.20 1 716 . 72 GLU HG2 H 2.401 0.08 1 717 . 72 GLU C C 178.767 0.05 1 718 . 73 GLU N N 120.887 0.05 1 719 . 73 GLU H H 8.506 0.02 1 720 . 73 GLU CA C 59.732 0.05 1 721 . 73 GLU HA H 4.244 0.08 1 722 . 73 GLU CB C 29.276 0.20 1 723 . 73 GLU HB3 H 2.134 0.08 2 724 . 73 GLU HB2 H 2.584 0.08 2 725 . 73 GLU CG C 35.419 0.20 1 726 . 73 GLU HG3 H 2.587 0.08 2 727 . 73 GLU HG2 H 2.420 0.08 2 728 . 73 GLU C C 178.001 0.05 1 729 . 74 LEU N N 120.395 0.05 1 730 . 74 LEU H H 7.686 0.02 1 731 . 74 LEU CA C 57.585 0.05 1 732 . 74 LEU HA H 4.052 0.08 1 733 . 74 LEU CB C 40.963 0.20 1 734 . 74 LEU HB3 H 1.706 0.08 2 735 . 74 LEU HB2 H 2.000 0.08 2 736 . 74 LEU CG C 27.281 0.20 1 737 . 74 LEU HG H 1.622 0.08 1 738 . 74 LEU CD1 C 24.601 0.20 1 739 . 74 LEU CD2 C 24.601 0.20 1 740 . 74 LEU HD2 H 0.724 0.08 2 741 . 74 LEU HD1 H 0.743 0.08 1 742 . 74 LEU C C 178.743 0.05 1 743 . 75 ARG N N 119.432 0.05 1 744 . 75 ARG H H 7.903 0.02 1 745 . 75 ARG CA C 59.545 0.05 1 746 . 75 ARG HA H 3.869 0.08 1 747 . 75 ARG CB C 29.200 0.20 1 748 . 75 ARG HB2 H 1.993 0.08 1 749 . 75 ARG CG C 27.144 0.20 1 750 . 75 ARG HG2 H 1.659 0.08 1 751 . 75 ARG CD C 42.958 0.20 1 752 . 75 ARG HD2 H 3.244 0.08 1 753 . 75 ARG NE N 83.476 0.05 1 754 . 75 ARG HE H 7.189 0.08 1 755 . 75 ARG C C 177.988 0.05 1 756 . 76 SER N N 114.509 0.05 1 757 . 76 SER H H 8.575 0.02 1 758 . 76 SER CA C 62.270 0.05 1 759 . 76 SER HA H 4.320 0.08 1 760 . 76 SER CB C 62.925 0.20 1 761 . 76 SER HB3 H 3.994 0.08 2 762 . 76 SER HB2 H 4.219 0.08 2 763 . 76 SER C C 177.500 0.05 1 764 . 77 LEU N N 125.901 0.05 1 765 . 77 LEU H H 8.521 0.02 1 766 . 77 LEU CA C 58.833 0.05 1 767 . 77 LEU HA H 4.410 0.08 1 768 . 77 LEU CB C 42.132 0.20 1 769 . 77 LEU HB3 H 1.718 0.08 2 770 . 77 LEU HB2 H 2.326 0.08 2 771 . 77 LEU CG C 26.584 0.20 1 772 . 77 LEU HG H 1.473 0.08 1 773 . 77 LEU CD1 C 23.874 0.20 2 774 . 77 LEU HD1 H 0.812 0.08 2 775 . 77 LEU CD2 C 26.086 0.20 2 776 . 77 LEU HD2 H 0.752 0.08 2 777 . 77 LEU C C 176.882 0.05 1 778 . 78 TYR N N 120.434 0.05 1 779 . 78 TYR H H 8.762 0.02 1 780 . 78 TYR CA C 62.595 0.05 1 781 . 78 TYR HA H 3.588 0.08 1 782 . 78 TYR CB C 39.519 0.20 1 783 . 78 TYR HB3 H 2.790 0.08 2 784 . 78 TYR HB2 H 3.304 0.08 2 785 . 78 TYR CD1 C 133.201 0.20 2 786 . 78 TYR HD1 H 7.030 0.08 2 787 . 78 TYR CE1 C 118.231 0.20 3 788 . 78 TYR HE1 H 6.831 0.08 3 789 . 78 TYR CE2 C 118.332 0.20 3 790 . 78 TYR HE2 H 6.828 0.08 3 791 . 78 TYR CD2 C 133.379 0.20 3 792 . 78 TYR HD2 H 7.024 0.08 3 793 . 78 TYR C C 176.486 0.05 1 794 . 79 ASN N N 117.252 0.05 1 795 . 79 ASN H H 8.848 0.02 1 796 . 79 ASN CA C 55.620 0.05 1 797 . 79 ASN HA H 4.300 0.08 1 798 . 79 ASN CB C 37.605 0.20 1 799 . 79 ASN HB3 H 2.710 0.08 2 800 . 79 ASN HB2 H 3.226 0.08 2 801 . 79 ASN C C 176.913 0.05 1 802 . 80 THR N N 115.735 0.05 1 803 . 80 THR H H 8.116 0.02 1 804 . 80 THR CA C 67.701 0.05 1 805 . 80 THR HA H 3.933 0.08 1 806 . 80 THR CB C 69.058 0.20 1 807 . 80 THR HB H 4.729 0.08 1 808 . 80 THR CG2 C 21.076 0.20 1 809 . 80 THR HG2 H 1.537 0.08 1 810 . 80 THR C C 176.033 0.05 1 811 . 81 ILE N N 121.458 0.05 1 812 . 81 ILE H H 8.162 0.02 1 813 . 81 ILE CA C 64.003 0.05 1 814 . 81 ILE HA H 3.660 0.08 1 815 . 81 ILE CB C 36.203 0.20 1 816 . 81 ILE HB H 1.821 0.08 1 817 . 81 ILE CG1 C 28.522 0.20 2 818 . 81 ILE HG13 H 1.754 0.08 9 819 . 81 ILE HG12 H 1.194 0.08 9 820 . 81 ILE CD1 C 13.624 0.20 1 821 . 81 ILE HD1 H 0.752 0.08 1 822 . 81 ILE CG2 C 17.930 0.20 2 823 . 81 ILE HG2 H 0.811 0.08 1 824 . 81 ILE C C 176.900 0.05 1 825 . 82 ALA N N 125.473 0.05 1 826 . 82 ALA H H 8.814 0.02 1 827 . 82 ALA CA C 55.587 0.05 1 828 . 82 ALA HA H 3.898 0.08 1 829 . 82 ALA CB C 17.576 0.20 1 830 . 82 ALA HB H 1.336 0.08 1 831 . 82 ALA C C 179.661 0.05 1 832 . 83 VAL N N 117.776 0.05 1 833 . 83 VAL H H 7.767 0.02 1 834 . 83 VAL CA C 67.250 0.05 1 835 . 83 VAL HA H 3.342 0.08 1 836 . 83 VAL CB C 30.431 0.20 1 837 . 83 VAL HB H 1.935 0.08 1 838 . 83 VAL CG2 C 24.802 0.20 1 839 . 83 VAL HG2 H 0.374 0.08 2 840 . 83 VAL CG1 C 23.251 0.20 2 841 . 83 VAL HG1 H 0.960 0.08 2 842 . 83 VAL C C 177.847 0.05 1 843 . 84 LEU N N 122.219 0.05 1 844 . 84 LEU H H 8.161 0.02 1 845 . 84 LEU CA C 58.187 0.05 1 846 . 84 LEU HA H 3.758 0.08 1 847 . 84 LEU CB C 41.983 0.20 1 848 . 84 LEU HB3 H 1.548 0.08 2 849 . 84 LEU HB2 H 1.797 0.08 2 850 . 84 LEU CG C 26.292 0.20 1 851 . 84 LEU HG H 1.371 0.08 1 852 . 84 LEU CD1 C 23.778 0.20 2 853 . 84 LEU HD1 H 0.163 0.08 2 854 . 84 LEU CD2 C 26.727 0.20 1 855 . 84 LEU HD2 H 0.447 0.08 2 856 . 84 LEU C C 177.736 0.05 1 857 . 85 TYR N N 119.204 0.05 1 858 . 85 TYR H H 9.099 0.02 1 859 . 85 TYR CA C 62.503 0.05 1 860 . 85 TYR HA H 3.885 0.08 1 861 . 85 TYR CB C 37.954 0.20 1 862 . 85 TYR HB3 H 2.857 0.08 2 863 . 85 TYR HB2 H 3.444 0.08 2 864 . 85 TYR CD1 C 133.199 0.20 2 865 . 85 TYR HD1 H 7.170 0.08 2 866 . 85 TYR CE1 C 117.819 0.20 3 867 . 85 TYR HE1 H 6.643 0.08 3 868 . 85 TYR C C 176.606 0.05 1 869 . 86 CYS N N 116.289 0.05 1 870 . 86 CYS H H 7.546 0.02 1 871 . 86 CYS CA C 65.242 0.05 1 872 . 86 CYS HA H 3.732 0.08 1 873 . 86 CYS CB C 26.135 0.20 1 874 . 86 CYS HB3 H 2.863 0.08 2 875 . 86 CYS HB2 H 3.312 0.08 2 876 . 86 CYS C C 176.486 0.05 1 877 . 87 VAL N N 120.417 0.05 1 878 . 87 VAL H H 8.417 0.02 1 879 . 87 VAL CA C 66.257 0.05 1 880 . 87 VAL HA H 3.868 0.08 1 881 . 87 VAL CB C 31.324 0.20 1 882 . 87 VAL HB H 2.068 0.08 1 883 . 87 VAL CG2 C 23.928 0.20 2 884 . 87 VAL HG2 H 1.108 0.08 2 885 . 87 VAL CG1 C 21.642 0.20 2 886 . 87 VAL HG1 H 0.939 0.08 2 887 . 87 VAL C C 180.858 0.05 1 888 . 88 HIS N N 118.869 0.05 1 889 . 88 HIS H H 8.782 0.02 1 890 . 88 HIS CA C 56.804 0.05 1 891 . 88 HIS HA H 4.874 0.08 1 892 . 88 HIS CB C 28.799 0.20 1 893 . 88 HIS HB3 H 3.358 0.08 2 894 . 88 HIS HB2 H 3.094 0.08 2 895 . 88 HIS C C 177.014 0.05 1 896 . 89 GLN N N 116.815 0.05 1 897 . 89 GLN H H 8.013 0.02 1 898 . 89 GLN CA C 55.035 0.05 1 899 . 89 GLN HA H 4.359 0.08 1 900 . 89 GLN CB C 30.830 0.20 1 901 . 89 GLN HB3 H 1.583 0.08 2 902 . 89 GLN HB2 H 1.886 0.08 2 903 . 89 GLN CG C 33.113 0.20 1 904 . 89 GLN HG2 H 1.835 0.08 1 905 . 89 GLN C C 174.806 0.05 1 906 . 90 ARG N N 115.456 0.05 1 907 . 90 ARG H H 7.888 0.02 1 908 . 90 ARG CA C 56.879 0.05 1 909 . 90 ARG HA H 3.979 0.08 1 910 . 90 ARG CB C 25.866 0.20 1 911 . 90 ARG HB3 H 1.914 0.08 2 912 . 90 ARG HB2 H 2.183 0.08 2 913 . 90 ARG CG C 27.368 0.20 1 914 . 90 ARG HG2 H 1.568 0.08 1 915 . 90 ARG CD C 43.356 0.20 1 916 . 90 ARG HD2 H 3.208 0.08 1 917 . 90 ARG C C 175.619 0.05 1 918 . 91 ILE N N 120.947 0.05 1 919 . 91 ILE H H 8.417 0.02 1 920 . 91 ILE CA C 60.572 0.05 1 921 . 91 ILE HA H 3.994 0.08 1 922 . 91 ILE CB C 38.820 0.20 1 923 . 91 ILE HB H 1.486 0.08 1 924 . 91 ILE CG1 C 26.883 0.20 2 925 . 91 ILE HG13 H 0.928 0.08 9 926 . 91 ILE HG12 H 1.448 0.08 9 927 . 91 ILE CD1 C 13.309 0.20 1 928 . 91 ILE HD1 H 0.855 0.08 1 929 . 91 ILE CG2 C 17.466 0.20 2 930 . 91 ILE HG2 H 0.807 0.08 1 931 . 91 ILE C C 176.219 0.05 1 932 . 92 ASP N N 129.282 0.05 1 933 . 92 ASP H H 8.618 0.02 1 934 . 92 ASP CA C 54.791 0.05 1 935 . 92 ASP HA H 4.453 0.08 1 936 . 92 ASP CB C 40.145 0.20 1 937 . 92 ASP HB3 H 2.644 0.08 2 938 . 92 ASP HB2 H 2.467 0.08 2 939 . 92 ASP C C 175.633 0.05 1 940 . 93 VAL N N 116.054 0.05 1 941 . 93 VAL H H 7.777 0.02 1 942 . 93 VAL CA C 58.970 0.05 1 943 . 93 VAL HA H 4.656 0.08 1 944 . 93 VAL CB C 35.409 0.20 1 945 . 93 VAL HB H 2.129 0.08 1 946 . 93 VAL CG2 C 23.054 0.20 1 947 . 93 VAL CG1 C 23.054 0.20 1 948 . 93 VAL HG2 H 0.898 0.08 1 949 . 93 VAL C C 176.020 0.05 1 950 . 94 LYS N N 118.842 0.05 1 951 . 94 LYS H H 9.179 0.02 1 952 . 94 LYS CA C 56.411 0.05 1 953 . 94 LYS HA H 4.372 0.08 1 954 . 94 LYS HB2 H 1.769 0.08 1 955 . 94 LYS CG C 24.598 0.20 1 956 . 94 LYS HG2 H 1.528 0.08 1 957 . 94 LYS CD C 29.886 0.20 1 958 . 94 LYS HD2 H 2.091 0.08 1 959 . 94 LYS CE C 41.729 0.20 1 960 . 94 LYS HE2 H 2.961 0.08 1 961 . 94 LYS C C 177.075 0.05 1 962 . 95 ASP N N 112.088 0.05 1 963 . 95 ASP H H 7.437 0.02 1 964 . 95 ASP CA C 52.690 0.05 1 965 . 95 ASP HA H 5.548 0.08 1 966 . 95 ASP CB C 44.390 0.20 1 967 . 95 ASP HB3 H 2.047 0.08 2 968 . 95 ASP HB2 H 2.834 0.08 2 969 . 95 ASP C C 176.577 0.05 1 970 . 96 THR N N 109.820 0.05 1 971 . 96 THR H H 7.280 0.02 1 972 . 96 THR CA C 65.731 0.05 1 973 . 96 THR HA H 3.651 0.08 1 974 . 96 THR CB C 69.967 0.20 1 975 . 96 THR HB H 3.989 0.08 1 976 . 96 THR CG2 C 22.332 0.20 1 977 . 96 THR HG2 H 1.290 0.08 1 978 . 96 THR C C 175.056 0.05 1 979 . 97 LYS N N 121.256 0.05 1 980 . 97 LYS H H 7.884 0.02 1 981 . 97 LYS CA C 59.425 0.05 1 982 . 97 LYS HA H 3.932 0.08 1 983 . 97 LYS CB C 31.629 0.20 1 984 . 97 LYS HB3 H 1.773 0.08 2 985 . 97 LYS HB2 H 2.050 0.08 2 986 . 97 LYS CG C 24.884 0.20 1 987 . 97 LYS HG2 H 1.439 0.08 1 988 . 97 LYS CD C 27.968 0.20 1 989 . 97 LYS HD2 H 2.034 0.08 1 990 . 97 LYS C C 178.194 0.05 1 991 . 98 GLU N N 119.548 0.05 1 992 . 98 GLU H H 8.410 0.02 1 993 . 98 GLU CA C 59.578 0.05 1 994 . 98 GLU HA H 4.061 0.08 1 995 . 98 GLU CB C 29.842 0.20 1 996 . 98 GLU HB2 H 2.094 0.08 1 997 . 98 GLU CG C 36.797 0.20 1 998 . 98 GLU HG3 H 2.293 0.08 2 999 . 98 GLU HG2 H 2.752 0.08 2 1000 . 98 GLU C C 179.114 0.05 1 1001 . 99 ALA N N 119.393 0.05 1 1002 . 99 ALA H H 7.426 0.02 1 1003 . 99 ALA CA C 55.169 0.05 1 1004 . 99 ALA HA H 4.354 0.08 1 1005 . 99 ALA CB C 19.560 0.20 1 1006 . 99 ALA HB H 1.488 0.08 1 1007 . 99 ALA C C 178.618 0.05 1 1008 . 100 LEU N N 118.210 0.05 1 1009 . 100 LEU H H 8.126 0.02 1 1010 . 100 LEU CA C 57.871 0.05 1 1011 . 100 LEU HA H 3.970 0.08 1 1012 . 100 LEU CB C 41.362 0.20 1 1013 . 100 LEU HB3 H 1.566 0.08 2 1014 . 100 LEU HB2 H 2.079 0.08 2 1015 . 100 LEU CG C 26.855 0.20 1 1016 . 100 LEU HG H 1.868 0.08 1 1017 . 100 LEU CD1 C 25.458 0.20 2 1018 . 100 LEU HD1 H 0.934 0.08 2 1019 . 100 LEU CD2 C 21.967 0.20 2 1020 . 100 LEU HD2 H 1.025 0.08 2 1021 . 100 LEU C C 180.372 0.05 1 1022 . 101 ASP N N 120.448 0.05 1 1023 . 101 ASP H H 8.625 0.02 1 1024 . 101 ASP CA C 57.048 0.05 1 1025 . 101 ASP HA H 4.377 0.08 1 1026 . 101 ASP CB C 39.511 0.20 1 1027 . 101 ASP HB3 H 2.707 0.08 2 1028 . 101 ASP HB2 H 2.950 0.08 2 1029 . 101 ASP C C 179.381 0.05 1 1030 . 102 LYS N N 120.473 0.05 1 1031 . 102 LYS H H 8.204 0.02 1 1032 . 102 LYS CA C 57.938 0.05 1 1033 . 102 LYS HA H 4.143 0.08 1 1034 . 102 LYS CB C 31.187 0.20 1 1035 . 102 LYS HB3 H 1.846 0.08 2 1036 . 102 LYS HB2 H 2.204 0.08 2 1037 . 102 LYS CG C 24.779 0.20 1 1038 . 102 LYS HG3 H 1.425 0.08 2 1039 . 102 LYS HG2 H 1.748 0.08 2 1040 . 102 LYS C C 179.908 0.05 1 1041 . 103 ILE N N 119.551 0.05 1 1042 . 103 ILE H H 8.169 0.02 1 1043 . 103 ILE CA C 64.245 0.05 1 1044 . 103 ILE HA H 3.793 0.08 1 1045 . 103 ILE CB C 37.168 0.20 1 1046 . 103 ILE HB H 1.973 0.08 1 1047 . 103 ILE CG1 C 28.583 0.20 2 1048 . 103 ILE HG12 H 1.498 0.08 2 1049 . 103 ILE CD1 C 13.610 0.20 1 1050 . 103 ILE HD1 H 0.757 0.08 1 1051 . 103 ILE CG2 C 17.716 0.20 2 1052 . 103 ILE HG2 H 0.859 0.08 1 1053 . 103 ILE C C 178.313 0.05 1 1054 . 104 GLU N N 121.456 0.05 1 1055 . 104 GLU H H 8.014 0.02 1 1056 . 104 GLU CA C 59.035 0.05 1 1057 . 104 GLU HA H 4.066 0.08 1 1058 . 104 GLU CB C 28.703 0.20 1 1059 . 104 GLU HB2 H 2.138 0.08 1 1060 . 104 GLU CG C 35.587 0.20 1 1061 . 104 GLU HG2 H 2.377 0.08 1 1062 . 104 GLU C C 178.664 0.05 1 1063 . 105 GLU N N 119.296 0.05 1 1064 . 105 GLU H H 8.031 0.02 1 1065 . 105 GLU CA C 58.886 0.05 1 1066 . 105 GLU HA H 4.084 0.08 1 1067 . 105 GLU CB C 29.256 0.20 1 1068 . 105 GLU HB2 H 2.175 0.08 1 1069 . 105 GLU CG C 35.492 0.20 1 1070 . 105 GLU HG3 H 2.266 0.08 2 1071 . 105 GLU HG2 H 2.477 0.08 2 1072 . 105 GLU C C 178.936 0.05 1 1073 . 106 GLU N N 118.732 0.05 1 1074 . 106 GLU H H 8.239 0.02 1 1075 . 106 GLU CA C 57.775 0.05 1 1076 . 106 GLU HA H 4.268 0.08 1 1077 . 106 GLU CB C 29.532 0.20 1 1078 . 106 GLU HB2 H 2.142 0.08 1 1079 . 106 GLU CG C 33.841 0.20 1 1080 . 106 GLU HG2 H 2.440 0.08 1 1081 . 106 GLU C C 178.849 0.05 1 1082 . 107 GLN H H 8.534 0.02 1 1083 . 107 GLN CA C 57.756 0.05 1 1084 . 107 GLN HA H 4.138 0.08 1 1085 . 107 GLN C C 177.809 0.05 1 1086 . 108 ASN N N 118.271 0.05 1 1087 . 108 ASN H H 8.235 0.02 1 1088 . 108 ASN CA C 54.554 0.05 1 1089 . 108 ASN HA H 4.606 0.08 1 1090 . 108 ASN CB C 38.424 0.20 1 1091 . 108 ASN HB2 H 2.864 0.08 1 1092 . 108 ASN C C 176.701 0.05 1 1093 . 109 LYS N N 120.580 0.05 1 1094 . 109 LYS H H 8.025 0.02 1 1095 . 109 LYS CA C 57.979 0.05 1 1096 . 109 LYS HA H 4.175 0.08 1 1097 . 109 LYS CB C 32.441 0.20 1 1098 . 109 LYS HB3 H 1.897 0.08 2 1099 . 109 LYS HB2 H 2.111 0.08 2 1100 . 109 LYS CG C 24.899 0.20 1 1101 . 109 LYS HG2 H 1.535 0.08 1 1102 . 109 LYS CD C 29.153 0.20 1 1103 . 109 LYS HD3 H 1.693 0.08 2 1104 . 109 LYS HD2 H 2.120 0.08 2 1105 . 109 LYS CE C 42.024 0.20 1 1106 . 109 LYS HE2 H 2.998 0.08 1 1107 . 109 LYS C C 177.756 0.05 1 1108 . 110 SER N N 114.969 0.05 1 1109 . 110 SER H H 8.052 0.02 1 1110 . 110 SER CA C 59.380 0.05 1 1111 . 110 SER HA H 4.348 0.08 1 1112 . 110 SER CB C 63.360 0.20 1 1113 . 110 SER HB2 H 3.945 0.08 1 1114 . 110 SER C C 175.248 0.05 1 1115 . 111 LYS N N 122.640 0.05 1 1116 . 111 LYS H H 8.013 0.02 1 1117 . 111 LYS CA C 57.048 0.05 1 1118 . 111 LYS HA H 4.247 0.08 1 1119 . 111 LYS CB C 32.566 0.20 1 1120 . 111 LYS HB2 H 1.841 0.08 1 1121 . 111 LYS CG C 24.832 0.20 1 1122 . 111 LYS HG2 H 1.485 0.08 1 1123 . 111 LYS CD C 28.911 0.20 1 1124 . 111 LYS HD2 H 1.675 0.08 1 1125 . 111 LYS C C 177.094 0.05 1 1126 . 112 LYS N N 121.272 0.05 1 1127 . 112 LYS H H 8.061 0.02 1 1128 . 112 LYS CA C 56.819 0.05 1 1129 . 112 LYS HA H 4.219 0.08 1 1130 . 112 LYS CB C 32.578 0.20 1 1131 . 112 LYS HB2 H 1.836 0.08 1 1132 . 112 LYS HG2 H 1.474 0.08 1 1133 . 112 LYS C C 177.141 0.05 1 1134 . 113 LYS N N 121.881 0.05 1 1135 . 113 LYS H H 8.156 0.02 1 1136 . 113 LYS CA C 56.806 0.05 1 1137 . 113 LYS HA H 4.227 0.08 1 1138 . 113 LYS CB C 32.651 0.20 1 1139 . 113 LYS HB2 H 1.816 0.08 1 1140 . 113 LYS CG C 24.687 0.20 1 1141 . 113 LYS HG2 H 1.449 0.08 1 1142 . 113 LYS CD C 28.953 0.20 1 1143 . 113 LYS HD3 H 1.687 0.08 2 1144 . 113 LYS HD2 H 2.026 0.08 2 1145 . 113 LYS C C 176.895 0.05 1 1146 . 114 ALA N N 124.403 0.05 1 1147 . 114 ALA H H 8.193 0.02 1 1148 . 114 ALA CA C 52.798 0.05 1 1149 . 114 ALA HA H 4.248 0.08 1 1150 . 114 ALA CB C 18.864 0.20 1 1151 . 114 ALA HB H 1.384 0.08 1 1152 . 114 ALA C C 178.121 0.05 1 1153 . 115 GLN N N 119.283 0.05 1 1154 . 115 GLN H H 8.235 0.02 1 1155 . 115 GLN CA C 56.157 0.05 1 1156 . 115 GLN HA H 4.264 0.08 1 1157 . 115 GLN CB C 29.105 0.20 1 1158 . 115 GLN HB2 H 2.036 0.08 1 1159 . 115 GLN C C 176.338 0.05 1 1160 . 116 GLN N N 121.200 0.05 1 1161 . 116 GLN H H 8.274 0.02 1 1162 . 116 GLN CA C 56.074 0.05 1 1163 . 116 GLN HA H 4.255 0.08 1 1164 . 116 GLN CB C 29.173 0.20 1 1165 . 116 GLN HB2 H 2.045 0.08 1 1166 . 116 GLN CG C 33.660 0.20 1 1167 . 116 GLN HG2 H 2.355 0.08 1 1168 . 116 GLN C C 175.874 0.05 1 1169 . 117 ALA N N 124.998 0.05 1 1170 . 117 ALA H H 8.269 0.02 1 1171 . 117 ALA CA C 52.445 0.05 1 1172 . 117 ALA HA H 4.267 0.08 1 1173 . 117 ALA CB C 18.864 0.20 1 1174 . 117 ALA HB H 1.378 0.08 1 1175 . 117 ALA C C 177.597 0.05 1 1176 . 118 ALA N N 123.060 0.05 1 1177 . 118 ALA H H 8.163 0.02 1 1178 . 118 ALA CA C 52.415 0.05 1 1179 . 118 ALA HA H 4.275 0.08 1 1180 . 118 ALA CB C 19.283 0.20 1 1181 . 118 ALA HB H 1.398 0.08 1 1182 . 118 ALA C C 177.617 0.05 1 1183 . 119 ALA N N 122.711 0.05 1 1184 . 119 ALA H H 8.160 0.02 1 1185 . 119 ALA CA C 52.466 0.05 1 1186 . 119 ALA HA H 4.261 0.08 1 1187 . 119 ALA CB C 19.284 0.20 1 1188 . 119 ALA HB H 1.392 0.08 1 1189 . 119 ALA C C 177.552 0.05 1 1190 . 120 ASP N N 119.407 0.05 1 1191 . 120 ASP H H 8.269 0.02 1 1192 . 120 ASP CA C 54.041 0.05 1 1193 . 120 ASP HA H 4.662 0.08 1 1194 . 120 ASP CB C 40.806 0.20 1 1195 . 120 ASP HB2 H 2.676 0.08 1 1196 . 120 ASP C C 176.595 0.05 1 1197 . 121 THR N N 113.603 0.05 1 1198 . 121 THR H H 8.076 0.02 1 1199 . 121 THR CA C 61.869 0.05 1 1200 . 121 THR HA H 4.313 0.08 1 1201 . 121 THR CB C 69.483 0.20 1 1202 . 121 THR HB H 4.318 0.08 1 1203 . 121 THR CG2 C 21.280 0.20 1 1204 . 121 THR HG2 H 1.198 0.08 1 1205 . 121 THR C C 175.446 0.05 1 1206 . 122 GLY N N 110.738 0.05 1 1207 . 122 GLY H H 8.429 0.02 1 1208 . 122 GLY CA C 45.375 0.05 1 1209 . 122 GLY HA2 H 3.950 0.08 1 1210 . 122 GLY C C 174.085 0.05 1 1211 . 123 ASN N N 118.589 0.05 1 1212 . 123 ASN H H 8.274 0.02 1 1213 . 123 ASN CA C 53.158 0.05 1 1214 . 123 ASN HA H 4.705 0.08 1 1215 . 123 ASN CB C 38.551 0.20 1 1216 . 123 ASN HB2 H 2.787 0.08 1 1217 . 123 ASN C C 175.155 0.05 1 1218 . 124 ASN N N 119.372 0.05 1 1219 . 124 ASN H H 8.461 0.02 1 1220 . 124 ASN CA C 53.278 0.05 1 1221 . 124 ASN HA H 4.725 0.08 1 1222 . 124 ASN CB C 38.721 0.20 1 1223 . 124 ASN HB2 H 2.792 0.08 1 1224 . 124 ASN C C 175.384 0.05 1 1225 . 125 SER N N 115.939 0.05 1 1226 . 125 SER H H 8.273 0.02 1 1227 . 125 SER CA C 58.633 0.05 1 1228 . 125 SER HA H 4.398 0.08 1 1229 . 125 SER CB C 63.471 0.20 1 1230 . 125 SER HB2 H 3.863 0.08 1 1231 . 125 SER C C 174.599 0.05 1 1232 . 126 GLN N N 121.857 0.05 1 1233 . 126 GLN H H 8.365 0.02 1 1234 . 126 GLN CA C 55.893 0.05 1 1235 . 126 GLN HA H 4.340 0.08 1 1236 . 126 GLN CG C 32.168 0.20 1 1237 . 126 GLN HG3 H 2.235 0.08 2 1238 . 126 GLN HG2 H 1.853 0.08 2 1239 . 126 GLN C C 176.073 0.05 1 1240 . 127 VAL N N 120.277 0.05 1 1241 . 127 VAL H H 8.043 0.02 1 1242 . 127 VAL CA C 62.310 0.05 1 1243 . 127 VAL HA H 4.108 0.08 1 1244 . 127 VAL CB C 32.503 0.20 1 1245 . 127 VAL HB H 2.086 0.08 1 1246 . 127 VAL CG2 C 20.403 0.20 1 1247 . 127 VAL CG1 C 20.403 0.20 1 1248 . 127 VAL HG2 H 0.923 0.08 1 1249 . 127 VAL C C 176.219 0.05 1 1250 . 128 SER N N 118.763 0.05 1 1251 . 128 SER H H 8.273 0.02 1 1252 . 128 SER CA C 58.269 0.05 1 1253 . 128 SER HA H 4.394 0.08 1 1254 . 128 SER CB C 63.624 0.20 1 1255 . 128 SER HB2 H 3.834 0.08 1 1256 . 128 SER C C 174.472 0.05 1 1257 . 129 GLN N N 121.825 0.05 1 1258 . 129 GLN H H 8.312 0.02 1 1259 . 129 GLN CA C 55.713 0.05 1 1260 . 129 GLN HA H 4.272 0.08 1 1261 . 129 GLN CB C 29.236 0.20 1 1262 . 129 GLN HB2 H 1.897 0.08 1 1263 . 129 GLN CG C 33.544 0.20 1 1264 . 129 GLN HG2 H 2.267 0.08 1 1265 . 129 GLN C C 175.274 0.05 1 1266 . 130 ASN N N 119.136 0.05 1 1267 . 130 ASN H H 8.249 0.02 1 1268 . 130 ASN CA C 52.925 0.05 1 1269 . 130 ASN HA H 4.636 0.08 1 1270 . 130 ASN CB C 38.852 0.20 1 1271 . 130 ASN HB2 H 2.592 0.08 1 1272 . 130 ASN C C 174.204 0.05 1 1273 . 131 TYR N N 121.323 0.05 1 1274 . 131 TYR H H 7.996 0.02 1 1275 . 131 TYR CA C 55.649 0.05 1 1276 . 131 TYR HA H 4.767 0.08 1 1277 . 131 TYR CB C 38.030 0.20 1 1278 . 131 TYR HB3 H 2.826 0.08 2 1279 . 131 TYR HB2 H 3.028 0.08 2 1280 . 131 TYR CD1 C 133.188 0.20 2 1281 . 131 TYR HD1 H 7.112 0.08 2 1282 . 131 TYR CE1 C 118.020 0.20 3 1283 . 131 TYR HE1 H 6.790 0.08 3 1284 . 132 PRO CA C 63.010 0.05 1 1285 . 132 PRO HA H 4.425 0.08 1 1286 . 132 PRO CB C 31.936 0.20 1 1287 . 132 PRO HB3 H 1.829 0.08 2 1288 . 132 PRO HB2 H 2.210 0.08 2 1289 . 132 PRO CG C 26.936 0.20 1 1290 . 132 PRO HG2 H 1.918 0.08 1 1291 . 132 PRO CD C 50.424 0.20 1 1292 . 132 PRO HD3 H 3.480 0.08 2 1293 . 132 PRO HD2 H 3.686 0.08 2 1294 . 132 PRO C C 176.444 0.05 1 1295 . 133 ILE N N 120.928 0.05 1 1296 . 133 ILE H H 8.095 0.02 1 1297 . 133 ILE CA C 61.035 0.05 1 1298 . 133 ILE HA H 4.149 0.08 1 1299 . 133 ILE CB C 38.485 0.20 1 1300 . 133 ILE HB H 1.811 0.08 1 1301 . 133 ILE CG1 C 26.808 0.20 2 1302 . 133 ILE HG13 H 1.410 0.08 1 1303 . 133 ILE HG12 H 1.157 0.08 1 1304 . 133 ILE CD1 C 12.471 0.20 1 1305 . 133 ILE HD1 H 0.788 0.08 1 1306 . 133 ILE CG2 C 17.649 0.20 2 1307 . 133 ILE HG2 H 0.865 0.08 1 1308 . 133 ILE C C 176.285 0.05 1 1309 . 134 VAL N N 123.880 0.05 1 1310 . 134 VAL H H 8.147 0.02 1 1311 . 134 VAL CA C 62.097 0.05 1 1312 . 134 VAL HA H 4.100 0.08 1 1313 . 134 VAL CB C 32.619 0.20 1 1314 . 134 VAL HB H 2.002 0.08 1 1315 . 134 VAL CG2 C 20.578 0.20 1 1316 . 134 VAL CG1 C 20.578 0.20 1 1317 . 134 VAL HG2 H 0.894 0.08 1 1318 . 134 VAL C C 175.830 0.05 1 1319 . 135 GLN N N 123.838 0.05 1 1320 . 135 GLN H H 8.426 0.02 1 1321 . 135 GLN CA C 55.755 0.05 1 1322 . 135 GLN HA H 4.324 0.08 1 1323 . 135 GLN CB C 29.739 0.20 1 1324 . 135 GLN HB2 H 1.965 0.08 1 1325 . 135 GLN CG C 33.529 0.20 1 1326 . 135 GLN HG2 H 2.269 0.08 1 1327 . 135 GLN C C 175.450 0.05 1 1328 . 136 ASN N N 119.976 0.05 1 1329 . 136 ASN H H 8.450 0.02 1 1330 . 136 ASN CA C 52.957 0.05 1 1331 . 136 ASN HA H 4.688 0.08 1 1332 . 136 ASN CB C 38.682 0.20 1 1333 . 136 ASN HB2 H 2.786 0.08 1 1334 . 136 ASN C C 175.288 0.05 1 1335 . 137 LEU N N 122.575 0.05 1 1336 . 137 LEU H H 8.277 0.02 1 1337 . 137 LEU CA C 55.450 0.05 1 1338 . 137 LEU HA H 4.264 0.08 1 1339 . 137 LEU CB C 42.028 0.20 1 1340 . 137 LEU HB2 H 1.592 0.08 1 1341 . 137 LEU CG C 26.756 0.20 1 1342 . 137 LEU HG H 1.590 0.08 1 1343 . 137 LEU CD1 C 23.095 0.20 2 1344 . 137 LEU HD1 H 0.806 0.08 2 1345 . 137 LEU CD2 C 24.579 0.20 2 1346 . 137 LEU HD2 H 0.893 0.08 2 1347 . 137 LEU C C 177.425 0.05 1 1348 . 138 GLN N N 119.953 0.05 1 1349 . 138 GLN H H 8.309 0.02 1 1350 . 138 GLN CA C 56.328 0.05 1 1351 . 138 GLN HA H 4.268 0.08 1 1352 . 138 GLN CB C 28.923 0.20 1 1353 . 138 GLN HB2 H 2.034 0.08 2 1354 . 138 GLN HB3 H 2.069 0.08 2 1355 . 138 GLN CG C 33.640 0.20 1 1356 . 138 GLN HG2 H 2.343 0.08 1 1357 . 138 GLN C C 176.625 0.05 1 1358 . 139 GLY N N 109.215 0.05 1 1359 . 139 GLY H H 8.325 0.02 1 1360 . 139 GLY CA C 45.389 0.05 1 1361 . 139 GLY HA2 H 3.921 0.08 1 1362 . 139 GLY C C 174.151 0.05 1 1363 . 140 GLN N N 119.316 0.05 1 1364 . 140 GLN H H 8.118 0.02 1 1365 . 140 GLN CA C 55.701 0.05 1 1366 . 140 GLN HA H 4.315 0.08 1 1367 . 140 GLN CB C 29.298 0.20 1 1368 . 140 GLN HB2 H 2.006 0.08 1 1369 . 140 GLN CG C 33.672 0.20 1 1370 . 140 GLN HG2 H 2.336 0.08 1 1371 . 140 GLN C C 175.883 0.05 1 1372 . 141 MET N N 121.048 0.05 1 1373 . 141 MET H H 8.349 0.02 1 1374 . 141 MET CA C 55.500 0.05 1 1375 . 141 MET HA H 4.429 0.08 1 1376 . 141 MET CB C 32.685 0.20 1 1377 . 141 MET HB2 H 1.974 0.08 1 1378 . 141 MET C C 175.897 0.05 1 1379 . 142 VAL N N 120.848 0.05 1 1380 . 142 VAL H H 8.080 0.02 1 1381 . 142 VAL CA C 62.005 0.05 1 1382 . 142 VAL HA H 4.084 0.08 1 1383 . 142 VAL CB C 32.693 0.20 1 1384 . 142 VAL HB H 1.994 0.08 1 1385 . 142 VAL CG2 C 20.775 0.20 1 1386 . 142 VAL CG1 C 20.775 0.20 1 1387 . 142 VAL HG2 H 0.841 0.08 1 1388 . 142 VAL C C 175.539 0.05 1 1389 . 143 HIS N N 122.134 0.05 1 1390 . 143 HIS H H 8.531 0.02 1 1391 . 143 HIS CA C 55.395 0.05 1 1392 . 143 HIS HA H 4.602 0.08 1 1393 . 143 HIS CB C 29.295 0.20 1 1394 . 143 HIS HB2 H 3.122 0.08 1 1395 . 143 HIS CD2 C 120.149 0.20 1 1396 . 143 HIS HD2 H 7.262 0.08 3 1397 . 143 HIS C C 173.528 0.05 1 1398 . 144 GLN N N 124.919 0.05 1 1399 . 144 GLN H H 8.383 0.02 1 1400 . 144 GLN CA C 55.151 0.05 1 1401 . 144 GLN HA H 4.293 0.08 1 1402 . 144 GLN CB C 29.563 0.20 1 1403 . 144 GLN HB2 H 1.958 0.08 1 1404 . 144 GLN CG C 33.579 0.20 1 1405 . 144 GLN HG2 H 2.307 0.08 1 1406 . 144 GLN C C 174.573 0.05 1 1407 . 145 ALA N N 125.837 0.05 1 1408 . 145 ALA H H 8.316 0.02 1 1409 . 145 ALA CA C 52.003 0.05 1 1410 . 145 ALA HA H 4.383 0.08 1 1411 . 145 ALA CB C 19.697 0.20 1 1412 . 145 ALA HB H 1.401 0.08 1 1413 . 145 ALA C C 177.412 0.05 1 1414 . 146 ILE N N 120.633 0.05 1 1415 . 146 ILE H H 7.889 0.02 1 1416 . 146 ILE CA C 61.221 0.05 1 1417 . 146 ILE HA H 4.059 0.08 1 1418 . 146 ILE CB C 38.743 0.20 1 1419 . 146 ILE HB H 1.665 0.08 1 1420 . 146 ILE CG1 C 28.192 0.20 2 1421 . 146 ILE HG13 H 1.228 0.08 9 1422 . 146 ILE HG12 H 1.563 0.08 9 1423 . 146 ILE CD1 C 14.114 0.20 1 1424 . 146 ILE HD1 H 0.758 0.08 1 1425 . 146 ILE CG2 C 16.133 0.20 2 1426 . 146 ILE HG2 H 0.903 0.08 1 1427 . 146 ILE C C 174.652 0.05 1 1428 . 147 SER N N 122.662 0.05 1 1429 . 147 SER H H 8.388 0.02 1 1430 . 147 SER CA C 56.310 0.05 1 1431 . 147 SER HA H 4.698 0.08 1 1432 . 147 SER CB C 63.787 0.20 1 1433 . 147 SER HB3 H 4.207 0.08 2 1434 . 147 SER HB2 H 3.954 0.08 2 1435 . 148 PRO CA C 65.168 0.05 1 1436 . 148 PRO HA H 4.282 0.08 1 1437 . 148 PRO CB C 31.730 0.20 1 1438 . 148 PRO HB3 H 2.399 0.08 2 1439 . 148 PRO HB2 H 1.941 0.08 2 1440 . 148 PRO CG C 27.836 0.20 1 1441 . 148 PRO HG3 H 2.011 0.08 2 1442 . 148 PRO HG2 H 2.145 0.08 2 1443 . 148 PRO CD C 50.682 0.20 1 1444 . 148 PRO HD3 H 3.937 0.08 2 1445 . 148 PRO HD2 H 3.742 0.08 2 1446 . 148 PRO C C 178.565 0.05 1 1447 . 149 ARG N N 116.781 0.05 1 1448 . 149 ARG H H 8.029 0.02 1 1449 . 149 ARG CA C 59.028 0.05 1 1450 . 149 ARG HA H 4.112 0.08 1 1451 . 149 ARG CB C 29.836 0.20 1 1452 . 149 ARG HB2 H 1.844 0.08 1 1453 . 149 ARG CG C 27.199 0.20 1 1454 . 149 ARG HG2 H 1.710 0.08 1 1455 . 149 ARG CD C 43.401 0.20 1 1456 . 149 ARG HD2 H 3.203 0.08 1 1457 . 149 ARG C C 178.982 0.05 1 1458 . 150 THR N N 119.184 0.05 1 1459 . 150 THR H H 7.790 0.02 1 1460 . 150 THR CA C 65.757 0.05 1 1461 . 150 THR HA H 3.962 0.08 1 1462 . 150 THR CB C 68.293 0.20 1 1463 . 150 THR HB H 4.308 0.08 1 1464 . 150 THR CG2 C 23.271 0.20 1 1465 . 150 THR HG2 H 1.272 0.08 1 1466 . 150 THR C C 177.597 0.05 1 1467 . 151 LEU N N 121.647 0.05 1 1468 . 151 LEU H H 8.200 0.02 1 1469 . 151 LEU CA C 58.017 0.05 1 1470 . 151 LEU HA H 4.111 0.08 1 1471 . 151 LEU CB C 41.385 0.20 1 1472 . 151 LEU HB2 H 1.722 0.08 1 1473 . 151 LEU CG C 27.010 0.20 1 1474 . 151 LEU HG H 1.694 0.08 1 1475 . 151 LEU CD1 C 22.301 0.20 2 1476 . 151 LEU HD1 H 0.758 0.08 2 1477 . 151 LEU CD2 C 24.478 0.20 2 1478 . 151 LEU HD2 H 0.899 0.08 2 1479 . 151 LEU C C 178.492 0.05 1 1480 . 152 ASN N N 116.456 0.05 1 1481 . 152 ASN H H 8.509 0.02 1 1482 . 152 ASN CA C 55.943 0.05 1 1483 . 152 ASN HA H 4.420 0.08 1 1484 . 152 ASN CB C 38.127 0.20 1 1485 . 152 ASN HB3 H 2.718 0.08 2 1486 . 152 ASN HB2 H 2.862 0.08 2 1487 . 152 ASN C C 177.465 0.05 1 1488 . 153 ALA N N 122.589 0.05 1 1489 . 153 ALA H H 7.832 0.02 1 1490 . 153 ALA CA C 54.952 0.05 1 1491 . 153 ALA HA H 4.134 0.08 1 1492 . 153 ALA CB C 17.929 0.20 1 1493 . 153 ALA HB H 1.604 0.08 1 1494 . 153 ALA C C 179.771 0.05 1 1495 . 154 TRP N N 119.995 0.05 1 1496 . 154 TRP H H 8.066 0.02 1 1497 . 154 TRP CA C 58.776 0.05 1 1498 . 154 TRP HA H 4.566 0.08 1 1499 . 154 TRP CB C 29.824 0.20 1 1500 . 154 TRP HB3 H 3.204 0.08 2 1501 . 154 TRP HB2 H 3.607 0.08 2 1502 . 154 TRP NE1 N 126.161 0.05 1 1503 . 154 TRP HE1 H 9.151 0.08 4 1504 . 154 TRP C C 175.994 0.05 1 1505 . 155 VAL N N 118.387 0.05 1 1506 . 155 VAL H H 8.302 0.02 1 1507 . 155 VAL CA C 66.426 0.05 1 1508 . 155 VAL HA H 3.108 0.08 1 1509 . 155 VAL CB C 31.541 0.20 1 1510 . 155 VAL HB H 2.132 0.08 1 1511 . 155 VAL CG2 C 22.913 0.20 2 1512 . 155 VAL HG2 H 1.123 0.08 2 1513 . 155 VAL CG1 C 21.056 0.20 2 1514 . 155 VAL HG1 H 0.899 0.08 2 1515 . 155 VAL C C 178.081 0.05 1 1516 . 156 LYS N N 117.843 0.05 1 1517 . 156 LYS H H 7.675 0.02 1 1518 . 156 LYS CA C 58.896 0.05 1 1519 . 156 LYS HA H 3.948 0.08 1 1520 . 156 LYS CB C 31.968 0.20 1 1521 . 156 LYS HB2 H 1.839 0.08 1 1522 . 156 LYS CG C 24.681 0.20 1 1523 . 156 LYS HG2 H 1.457 0.08 1 1524 . 156 LYS CD C 28.768 0.20 1 1525 . 156 LYS HD2 H 1.658 0.08 1 1526 . 156 LYS C C 178.631 0.05 1 1527 . 157 VAL N N 119.344 0.05 1 1528 . 157 VAL H H 7.655 0.02 1 1529 . 157 VAL CA C 65.976 0.05 1 1530 . 157 VAL HA H 3.693 0.08 1 1531 . 157 VAL CB C 31.122 0.20 1 1532 . 157 VAL HB H 2.218 0.08 1 1533 . 157 VAL CG2 C 23.197 0.20 2 1534 . 157 VAL HG2 H 1.102 0.08 2 1535 . 157 VAL CG1 C 21.876 0.20 2 1536 . 157 VAL HG1 H 0.891 0.08 2 1537 . 157 VAL C C 177.485 0.05 1 1538 . 158 VAL N N 119.804 0.05 1 1539 . 158 VAL H H 7.464 0.02 1 1540 . 158 VAL CA C 65.499 0.05 1 1541 . 158 VAL HA H 3.115 0.08 1 1542 . 158 VAL CB C 30.674 0.20 1 1543 . 158 VAL HB H 1.409 0.08 1 1544 . 158 VAL CG2 C 21.337 0.20 2 1545 . 158 VAL HG2 H -0.342 0.08 2 1546 . 158 VAL CG1 C 20.770 0.20 2 1547 . 158 VAL HG1 H 0.146 0.08 2 1548 . 158 VAL C C 178.843 0.05 1 1549 . 159 GLU N N 119.541 0.05 1 1550 . 159 GLU H H 8.191 0.02 1 1551 . 159 GLU CA C 58.783 0.05 1 1552 . 159 GLU HA H 4.018 0.08 1 1553 . 159 GLU CB C 29.141 0.20 1 1554 . 159 GLU HB2 H 2.039 0.08 1 1555 . 159 GLU HG2 H 2.407 0.08 1 1556 . 159 GLU C C 178.214 0.05 1 1557 . 160 GLU N N 116.419 0.05 1 1558 . 160 GLU H H 8.008 0.02 1 1559 . 160 GLU CA C 58.069 0.05 1 1560 . 160 GLU HA H 4.136 0.08 1 1561 . 160 GLU CB C 30.350 0.20 1 1562 . 160 GLU HB2 H 2.020 0.08 1 1563 . 160 GLU CG C 35.654 0.20 1 1564 . 160 GLU HG3 H 2.235 0.08 2 1565 . 160 GLU HG2 H 2.479 0.08 2 1566 . 160 GLU C C 178.088 0.05 1 1567 . 161 LYS N N 116.084 0.05 1 1568 . 161 LYS H H 8.471 0.02 1 1569 . 161 LYS CA C 55.450 0.05 1 1570 . 161 LYS HA H 4.283 0.08 1 1571 . 161 LYS CB C 32.593 0.20 1 1572 . 161 LYS HB2 H 1.729 0.08 1 1573 . 161 LYS CG C 24.890 0.20 1 1574 . 161 LYS HG2 H 1.352 0.08 1 1575 . 161 LYS CD C 28.597 0.20 1 1576 . 161 LYS HD2 H 1.503 0.08 1 1577 . 161 LYS C C 176.572 0.05 1 1578 . 162 ALA N N 123.159 0.05 1 1579 . 162 ALA H H 7.918 0.02 1 1580 . 162 ALA CA C 52.821 0.05 1 1581 . 162 ALA HA H 3.652 0.08 1 1582 . 162 ALA CB C 17.587 0.20 1 1583 . 162 ALA HB H 1.312 0.08 1 1584 . 162 ALA C C 174.072 0.05 1 1585 . 163 PHE N N 114.478 0.05 1 1586 . 163 PHE H H 7.466 0.02 1 1587 . 163 PHE CA C 57.462 0.05 1 1588 . 163 PHE HA H 4.404 0.08 1 1589 . 163 PHE CB C 37.284 0.20 1 1590 . 163 PHE HB3 H 2.971 0.08 2 1591 . 163 PHE HB2 H 2.673 0.08 2 1592 . 163 PHE CD1 C 130.763 0.20 2 1593 . 163 PHE HD1 H 6.677 0.08 2 1594 . 163 PHE C C 174.692 0.05 1 1595 . 164 SER N N 114.918 0.05 1 1596 . 164 SER H H 7.285 0.02 1 1597 . 164 SER CA C 56.743 0.05 1 1598 . 164 SER HA H 4.775 0.08 1 1599 . 164 SER CB C 63.361 0.20 1 1600 . 164 SER HB3 H 4.153 0.08 2 1601 . 164 SER HB2 H 3.921 0.08 2 1602 . 165 PRO CA C 65.995 0.05 1 1603 . 165 PRO HA H 4.245 0.08 1 1604 . 165 PRO CB C 31.671 0.20 1 1605 . 165 PRO HB3 H 1.975 0.08 2 1606 . 165 PRO HB2 H 2.394 0.08 2 1607 . 165 PRO CG C 27.853 0.20 1 1608 . 165 PRO HG3 H 2.008 0.08 2 1609 . 165 PRO HG2 H 2.219 0.08 2 1610 . 165 PRO CD C 50.283 0.20 1 1611 . 165 PRO HD2 H 3.916 0.08 1 1612 . 165 PRO C C 178.525 0.05 1 1613 . 166 GLU N N 115.966 0.05 1 1614 . 166 GLU H H 8.636 0.02 1 1615 . 166 GLU CA C 58.498 0.05 1 1616 . 166 GLU HA H 4.106 0.08 1 1617 . 166 GLU CB C 29.457 0.20 1 1618 . 166 GLU HB3 H 2.082 0.08 2 1619 . 166 GLU HB2 H 1.945 0.08 2 1620 . 166 GLU CG C 36.471 0.20 1 1621 . 166 GLU HG2 H 2.304 0.08 1 1622 . 166 GLU C C 177.221 0.05 1 1623 . 167 VAL N N 116.946 0.05 1 1624 . 167 VAL H H 8.265 0.02 1 1625 . 167 VAL CA C 64.851 0.05 1 1626 . 167 VAL HA H 3.908 0.08 1 1627 . 167 VAL CB C 31.780 0.20 1 1628 . 167 VAL HB H 2.344 0.08 1 1629 . 167 VAL CG2 C 21.488 0.20 1 1630 . 167 VAL HG2 H 1.041 0.08 2 1631 . 167 VAL CG1 C 21.497 0.20 1 1632 . 167 VAL HG1 H 1.021 0.08 2 1633 . 167 VAL C C 176.868 0.05 1 1634 . 168 ILE N N 119.669 0.05 1 1635 . 168 ILE H H 7.593 0.02 1 1636 . 168 ILE CA C 67.753 0.05 1 1637 . 168 ILE HA H 3.912 0.08 1 1638 . 168 ILE CB C 41.627 0.20 1 1639 . 168 ILE HB H 1.536 0.08 1 1640 . 168 ILE CD1 C 13.233 0.20 1 1641 . 168 ILE HD1 H 0.896 0.08 1 1642 . 168 ILE CG2 C 17.976 0.20 1 1643 . 168 ILE HG2 H 0.992 0.08 1 1644 . 169 PRO CA C 65.271 0.05 1 1645 . 169 PRO HA H 4.395 0.08 1 1646 . 169 PRO CB C 30.525 0.20 1 1647 . 169 PRO HB3 H 1.945 0.08 2 1648 . 169 PRO HB2 H 2.298 0.08 2 1649 . 169 PRO CG C 27.837 0.20 1 1650 . 169 PRO HG2 H 2.135 0.08 1 1651 . 169 PRO CD C 49.504 0.20 1 1652 . 169 PRO HD2 H 4.093 0.08 1 1653 . 169 PRO C C 180.067 0.05 1 1654 . 170 MET N N 115.823 0.05 1 1655 . 170 MET H H 7.085 0.02 1 1656 . 170 MET CA C 58.236 0.05 1 1657 . 170 MET HA H 4.410 0.08 1 1658 . 170 MET CB C 32.099 0.20 1 1659 . 170 MET HB3 H 2.241 0.08 2 1660 . 170 MET HB2 H 2.081 0.08 2 1661 . 170 MET CG C 32.340 0.20 1 1662 . 170 MET HG3 H 2.657 0.08 2 1663 . 170 MET HG2 H 2.806 0.08 2 1664 . 170 MET CE C 16.991 0.20 1 1665 . 170 MET HE H 2.052 0.08 1 1666 . 170 MET C C 177.319 0.05 1 1667 . 171 PHE N N 120.547 0.05 1 1668 . 171 PHE H H 8.804 0.02 1 1669 . 171 PHE CA C 61.739 0.05 1 1670 . 171 PHE HA H 3.541 0.08 1 1671 . 171 PHE CB C 41.754 0.20 1 1672 . 171 PHE HB2 H 2.951 0.08 1 1673 . 171 PHE C C 178.571 0.05 1 1674 . 172 SER N N 114.438 0.05 1 1675 . 172 SER H H 8.489 0.02 1 1676 . 172 SER CA C 62.148 0.05 1 1677 . 172 SER HA H 3.895 0.08 1 1678 . 172 SER CB C 62.470 0.20 1 1679 . 172 SER HB2 H 3.387 0.08 1 1680 . 172 SER C C 175.596 0.05 1 1681 . 173 ALA N N 121.538 0.05 1 1682 . 173 ALA H H 7.739 0.02 1 1683 . 173 ALA CA C 54.521 0.05 1 1684 . 173 ALA HA H 4.127 0.08 1 1685 . 173 ALA CB C 18.320 0.20 1 1686 . 173 ALA HB H 1.458 0.08 1 1687 . 173 ALA C C 180.213 0.05 1 1688 . 174 LEU N N 116.571 0.05 1 1689 . 174 LEU H H 7.903 0.02 1 1690 . 174 LEU CA C 56.129 0.05 1 1691 . 174 LEU HA H 4.104 0.08 1 1692 . 174 LEU CB C 41.723 0.20 1 1693 . 174 LEU HB3 H 1.386 0.08 2 1694 . 174 LEU HB2 H 1.680 0.08 2 1695 . 174 LEU CG C 26.844 0.20 1 1696 . 174 LEU HG H 1.965 0.08 1 1697 . 174 LEU CD1 C 22.437 0.20 2 1698 . 174 LEU HD1 H 0.930 0.08 2 1699 . 174 LEU CD2 C 25.987 0.20 2 1700 . 174 LEU HD2 H 0.993 0.08 2 1701 . 174 LEU C C 176.365 0.05 1 1702 . 175 SER N N 109.011 0.05 1 1703 . 175 SER H H 7.200 0.02 1 1704 . 175 SER CA C 57.456 0.05 1 1705 . 175 SER HA H 3.912 0.08 1 1706 . 175 SER CB C 63.431 0.20 1 1707 . 175 SER HB2 H 3.481 0.08 1 1708 . 175 SER C C 174.718 0.05 1 1709 . 176 GLU N N 124.483 0.05 1 1710 . 176 GLU H H 7.055 0.02 1 1711 . 176 GLU CA C 57.921 0.05 1 1712 . 176 GLU HA H 3.999 0.08 1 1713 . 176 GLU CB C 28.711 0.20 1 1714 . 176 GLU HB2 H 1.916 0.08 1 1715 . 176 GLU CG C 34.612 0.20 1 1716 . 176 GLU HG2 H 2.301 0.08 1 1717 . 176 GLU C C 177.783 0.05 1 1718 . 177 GLY N N 115.520 0.05 1 1719 . 177 GLY H H 9.139 0.02 1 1720 . 177 GLY CA C 45.572 0.05 1 1721 . 177 GLY HA3 H 4.023 0.08 2 1722 . 177 GLY HA2 H 3.717 0.08 2 1723 . 177 GLY C C 173.818 0.05 1 1724 . 178 ALA N N 120.554 0.05 1 1725 . 178 ALA H H 7.470 0.02 1 1726 . 178 ALA CA C 52.418 0.05 1 1727 . 178 ALA HA H 4.407 0.08 1 1728 . 178 ALA CB C 20.106 0.20 1 1729 . 178 ALA HB H 1.286 0.08 1 1730 . 178 ALA C C 178.419 0.05 1 1731 . 179 THR N N 109.078 0.05 1 1732 . 179 THR H H 8.411 0.02 1 1733 . 179 THR CA C 59.595 0.05 1 1734 . 179 THR HA H 4.467 0.08 1 1735 . 179 THR CB C 63.665 0.20 1 1736 . 179 THR HB H 3.925 0.08 1 1737 . 179 THR CG2 C 21.774 0.20 1 1738 . 179 THR HG2 H 1.140 0.08 1 1739 . 180 PRO CA C 66.815 0.05 1 1740 . 180 PRO C C 176.903 0.05 1 1741 . 181 GLN N N 115.614 0.05 1 1742 . 181 GLN H H 8.388 0.02 1 1743 . 181 GLN CA C 60.107 0.05 1 1744 . 181 GLN HA H 4.222 0.08 1 1745 . 181 GLN CB C 29.108 0.20 1 1746 . 181 GLN HB3 H 2.281 0.08 2 1747 . 181 GLN HB2 H 1.972 0.08 2 1748 . 181 GLN CG C 34.032 0.20 1 1749 . 181 GLN HG2 H 2.365 0.08 1 1750 . 181 GLN C C 178.684 0.05 1 1751 . 182 ASP N N 120.363 0.05 1 1752 . 182 ASP H H 7.922 0.02 1 1753 . 182 ASP CA C 57.514 0.05 1 1754 . 182 ASP HA H 4.357 0.08 1 1755 . 182 ASP CB C 42.026 0.20 1 1756 . 182 ASP HB3 H 2.481 0.08 2 1757 . 182 ASP HB2 H 3.218 0.08 2 1758 . 182 ASP C C 178.611 0.05 1 1759 . 183 LEU N N 120.655 0.05 1 1760 . 183 LEU H H 8.261 0.02 1 1761 . 183 LEU CA C 58.048 0.05 1 1762 . 183 LEU HA H 3.743 0.08 1 1763 . 183 LEU CB C 41.582 0.20 1 1764 . 183 LEU HB2 H 1.235 0.08 1 1765 . 183 LEU HB3 H 1.778 0.08 2 1766 . 183 LEU CG C 26.194 0.20 1 1767 . 183 LEU HG H 1.374 0.08 1 1768 . 183 LEU CD1 C 27.020 0.20 1 1769 . 183 LEU HD1 H 0.726 0.08 2 1770 . 183 LEU CD2 C 23.885 0.20 1 1771 . 183 LEU HD2 H 0.673 0.08 2 1772 . 183 LEU C C 178.962 0.05 1 1773 . 184 ASN N N 117.792 0.05 1 1774 . 184 ASN H H 8.664 0.02 1 1775 . 184 ASN CA C 56.328 0.05 1 1776 . 184 ASN HA H 4.684 0.08 1 1777 . 184 ASN CB C 37.210 0.20 1 1778 . 184 ASN HB3 H 2.712 0.08 2 1779 . 184 ASN HB2 H 3.025 0.08 2 1780 . 184 ASN C C 178.180 0.05 1 1781 . 185 THR N N 120.080 0.05 1 1782 . 185 THR H H 8.435 0.02 1 1783 . 185 THR CA C 66.966 0.05 1 1784 . 185 THR HA H 3.986 0.08 1 1785 . 185 THR CB C 68.019 0.20 1 1786 . 185 THR HB H 4.546 0.08 1 1787 . 185 THR CG2 C 22.358 0.20 1 1788 . 185 THR HG2 H 1.255 0.08 1 1789 . 185 THR C C 177.088 0.05 1 1790 . 186 MET N N 120.568 0.05 1 1791 . 186 MET H H 8.087 0.02 1 1792 . 186 MET CA C 60.259 0.05 1 1793 . 186 MET HA H 3.902 0.08 1 1794 . 186 MET CB C 32.669 0.20 1 1795 . 186 MET HB2 H 1.990 0.08 1 1796 . 186 MET CE C 16.127 0.20 1 1797 . 186 MET HE H 0.974 0.08 1 1798 . 186 MET C C 179.281 0.05 1 1799 . 187 LEU N N 120.496 0.05 1 1800 . 187 LEU H H 8.538 0.02 1 1801 . 187 LEU CA C 58.033 0.05 1 1802 . 187 LEU HA H 4.129 0.08 1 1803 . 187 LEU CB C 41.150 0.20 1 1804 . 187 LEU HB3 H 1.713 0.08 2 1805 . 187 LEU HB2 H 2.001 0.08 2 1806 . 187 LEU CG C 26.498 0.20 1 1807 . 187 LEU HG H 1.923 0.08 1 1808 . 187 LEU CD1 C 21.652 0.20 2 1809 . 187 LEU HD1 H 0.694 0.08 2 1810 . 187 LEU CD2 C 24.598 0.20 2 1811 . 187 LEU HD2 H 0.851 0.08 2 1812 . 187 LEU C C 178.955 0.05 1 1813 . 188 ASN N N 116.217 0.05 1 1814 . 188 ASN H H 8.533 0.02 1 1815 . 188 ASN CA C 55.019 0.05 1 1816 . 188 ASN HA H 4.622 0.08 1 1817 . 188 ASN CB C 38.097 0.20 1 1818 . 188 ASN HB2 H 2.940 0.08 1 1819 . 188 ASN C C 176.980 0.05 1 1820 . 189 THR N N 111.463 0.05 1 1821 . 189 THR H H 7.609 0.02 1 1822 . 189 THR CA C 63.790 0.05 1 1823 . 189 THR HA H 4.288 0.08 1 1824 . 189 THR CB C 69.568 0.20 1 1825 . 189 THR HB H 4.313 0.08 1 1826 . 189 THR CG2 C 22.207 0.20 1 1827 . 189 THR HG2 H 1.404 0.08 1 1828 . 189 THR C C 174.917 0.05 1 1829 . 190 VAL N N 120.145 0.05 1 1830 . 190 VAL H H 7.400 0.02 1 1831 . 190 VAL CA C 63.262 0.05 1 1832 . 190 VAL HA H 3.914 0.08 1 1833 . 190 VAL CB C 31.548 0.20 1 1834 . 190 VAL HB H 2.437 0.08 1 1835 . 190 VAL CG2 C 21.418 0.20 2 1836 . 190 VAL HG2 H 1.159 0.08 2 1837 . 190 VAL CG1 C 21.569 0.20 2 1838 . 190 VAL HG1 H 0.947 0.08 2 1839 . 190 VAL C C 175.994 0.05 1 1840 . 191 GLY N N 113.748 0.05 1 1841 . 191 GLY H H 8.362 0.02 1 1842 . 191 GLY CA C 45.070 0.05 1 1843 . 191 GLY HA3 H 3.830 0.08 2 1844 . 191 GLY HA2 H 4.248 0.08 2 1845 . 191 GLY C C 174.533 0.05 1 1846 . 192 GLY N N 108.832 0.05 1 1847 . 192 GLY H H 8.439 0.02 1 1848 . 192 GLY CA C 45.485 0.05 1 1849 . 192 GLY HA2 H 3.829 0.08 1 1850 . 192 GLY C C 174.111 0.05 1 1851 . 193 HIS N N 118.117 0.05 1 1852 . 193 HIS H H 8.586 0.02 1 1853 . 193 HIS CA C 55.069 0.05 1 1854 . 193 HIS HA H 4.649 0.08 1 1855 . 193 HIS CB C 27.216 0.20 1 1856 . 193 HIS HB3 H 3.183 0.08 2 1857 . 193 HIS HB2 H 3.373 0.08 2 1858 . 193 HIS CD2 C 116.382 0.20 1 1859 . 193 HIS HD2 H 6.385 0.08 3 1860 . 193 HIS CE1 C 137.325 0.20 1 1861 . 193 HIS HE1 H 7.571 0.08 3 1862 . 193 HIS C C 174.983 0.05 1 1863 . 194 GLN N N 119.500 0.05 1 1864 . 194 GLN H H 8.495 0.02 1 1865 . 194 GLN CA C 60.521 0.05 1 1866 . 194 GLN HA H 3.852 0.08 1 1867 . 194 GLN CB C 28.212 0.20 1 1868 . 194 GLN HB2 H 2.078 0.08 1 1869 . 194 GLN CG C 33.933 0.20 1 1870 . 194 GLN HG2 H 2.455 0.08 1 1871 . 194 GLN C C 178.300 0.05 1 1872 . 195 ALA N N 122.142 0.05 1 1873 . 195 ALA H H 8.654 0.02 1 1874 . 195 ALA CA C 55.284 0.05 1 1875 . 195 ALA HA H 4.152 0.08 1 1876 . 195 ALA CB C 17.528 0.20 1 1877 . 195 ALA HB H 1.454 0.08 1 1878 . 195 ALA C C 180.575 0.05 1 1879 . 196 ALA N N 121.741 0.05 1 1880 . 196 ALA H H 7.992 0.02 1 1881 . 196 ALA CA C 54.803 0.05 1 1882 . 196 ALA HA H 3.926 0.08 1 1883 . 196 ALA CB C 18.354 0.20 1 1884 . 196 ALA HB H 1.098 0.08 1 1885 . 196 ALA C C 179.148 0.05 1 1886 . 197 MET N N 115.489 0.05 1 1887 . 197 MET H H 8.348 0.02 1 1888 . 197 MET CA C 56.419 0.05 1 1889 . 197 MET HA H 4.449 0.08 1 1890 . 197 MET CB C 30.235 0.20 1 1891 . 197 MET HB2 H 2.133 0.08 1 1892 . 197 MET CG C 32.319 0.20 1 1893 . 197 MET HG2 H 2.749 0.08 1 1894 . 197 MET CE C 16.976 0.20 1 1895 . 197 MET HE H 2.095 0.08 1 1896 . 197 MET C C 179.355 0.05 1 1897 . 198 GLN N N 120.349 0.05 1 1898 . 198 GLN H H 8.310 0.02 1 1899 . 198 GLN CA C 58.886 0.05 1 1900 . 198 GLN HA H 4.089 0.08 1 1901 . 198 GLN CB C 27.637 0.20 1 1902 . 198 GLN HB2 H 2.172 0.08 1 1903 . 198 GLN CG C 33.506 0.20 1 1904 . 198 GLN HG2 H 2.441 0.08 1 1905 . 198 GLN C C 178.552 0.05 1 1906 . 199 MET N N 119.691 0.05 1 1907 . 199 MET H H 7.668 0.02 1 1908 . 199 MET CA C 58.627 0.05 1 1909 . 199 MET HA H 4.132 0.08 1 1910 . 199 MET CB C 32.440 0.20 1 1911 . 199 MET HB2 H 2.223 0.08 1 1912 . 199 MET CG C 32.208 0.20 1 1913 . 199 MET HG2 H 2.400 0.08 1 1914 . 199 MET CE C 17.256 0.20 1 1915 . 199 MET HE H 2.028 0.08 1 1916 . 199 MET C C 179.524 0.05 1 1917 . 200 LEU N N 123.186 0.05 1 1918 . 200 LEU H H 8.421 0.02 1 1919 . 200 LEU CA C 58.843 0.05 1 1920 . 200 LEU HA H 3.915 0.08 1 1921 . 200 LEU CB C 41.633 0.20 1 1922 . 200 LEU HB3 H 1.937 0.08 2 1923 . 200 LEU HB2 H 1.686 0.08 2 1924 . 200 LEU CG C 27.388 0.20 1 1925 . 200 LEU HG H 1.628 0.08 1 1926 . 200 LEU CD1 C 24.836 0.20 2 1927 . 200 LEU HD1 H 0.896 0.08 2 1928 . 200 LEU CD2 C 25.734 0.20 2 1929 . 200 LEU HD2 H 0.870 0.08 2 1930 . 200 LEU C C 178.399 0.05 1 1931 . 201 LYS N N 119.145 0.05 1 1932 . 201 LYS H H 8.454 0.02 1 1933 . 201 LYS CA C 59.768 0.05 1 1934 . 201 LYS HA H 3.968 0.08 1 1935 . 201 LYS CB C 31.721 0.20 1 1936 . 201 LYS HB2 H 1.953 0.08 1 1937 . 201 LYS CG C 25.155 0.20 1 1938 . 201 LYS HG3 H 1.626 0.08 2 1939 . 201 LYS HG2 H 1.428 0.08 2 1940 . 201 LYS CE C 41.744 0.20 1 1941 . 201 LYS HE2 H 2.921 0.08 1 1942 . 201 LYS C C 178.770 0.05 1 1943 . 202 GLU N N 118.860 0.05 1 1944 . 202 GLU H H 8.252 0.02 1 1945 . 202 GLU CA C 59.298 0.05 1 1946 . 202 GLU HA H 4.090 0.08 1 1947 . 202 GLU CB C 28.489 0.20 1 1948 . 202 GLU HB2 H 2.129 0.08 1 1949 . 202 GLU CG C 35.234 0.20 1 1950 . 202 GLU HG2 H 2.474 0.08 1 1951 . 202 GLU C C 179.214 0.05 1 1952 . 203 THR N N 117.635 0.05 1 1953 . 203 THR H H 7.936 0.02 1 1954 . 203 THR CA C 67.288 0.05 1 1955 . 203 THR HA H 3.954 0.08 1 1956 . 203 THR CB C 68.666 0.20 1 1957 . 203 THR HB H 4.300 0.08 1 1958 . 203 THR CG2 C 21.236 0.20 1 1959 . 203 THR HG2 H 1.199 0.08 1 1960 . 203 THR C C 175.989 0.05 1 1961 . 204 ILE N N 122.385 0.05 1 1962 . 204 ILE H H 8.425 0.02 1 1963 . 204 ILE CA C 65.979 0.05 1 1964 . 204 ILE HA H 3.457 0.08 1 1965 . 204 ILE CB C 37.872 0.20 1 1966 . 204 ILE HB H 2.070 0.08 1 1967 . 204 ILE CG1 C 29.533 0.20 2 1968 . 204 ILE HG13 H 1.850 0.08 1 1969 . 204 ILE HG12 H 1.265 0.08 1 1970 . 204 ILE CD1 C 14.067 0.20 1 1971 . 204 ILE HD1 H 1.008 0.08 1 1972 . 204 ILE CG2 C 17.928 0.20 2 1973 . 204 ILE HG2 H 1.247 0.08 1 1974 . 204 ILE C C 176.908 0.05 1 1975 . 205 ASN N N 117.218 0.05 1 1976 . 205 ASN H H 8.310 0.02 1 1977 . 205 ASN CA C 55.986 0.05 1 1978 . 205 ASN HA H 4.283 0.08 1 1979 . 205 ASN CB C 37.501 0.20 1 1980 . 205 ASN HB3 H 2.713 0.08 2 1981 . 205 ASN HB2 H 2.892 0.08 2 1982 . 205 ASN C C 178.690 0.05 1 1983 . 206 GLU N N 121.653 0.05 1 1984 . 206 GLU H H 8.036 0.02 1 1985 . 206 GLU CA C 59.004 0.05 1 1986 . 206 GLU HA H 4.060 0.08 1 1987 . 206 GLU CB C 28.687 0.20 1 1988 . 206 GLU HB3 H 2.222 0.08 2 1989 . 206 GLU HB2 H 2.047 0.08 2 1990 . 206 GLU CG C 35.110 0.20 1 1991 . 206 GLU HG2 H 2.410 0.08 1 1992 . 206 GLU C C 179.347 0.05 1 1993 . 207 GLU N N 120.483 0.05 1 1994 . 207 GLU H H 8.175 0.02 1 1995 . 207 GLU CA C 57.889 0.05 1 1996 . 207 GLU HA H 3.573 0.08 1 1997 . 207 GLU CB C 28.567 0.20 1 1998 . 207 GLU HB3 H 2.213 0.08 2 1999 . 207 GLU HB2 H 1.973 0.08 2 2000 . 207 GLU CG C 34.255 0.20 1 2001 . 207 GLU HG3 H 1.867 0.08 2 2002 . 207 GLU HG2 H 2.348 0.08 2 2003 . 207 GLU C C 178.624 0.05 1 2004 . 208 ALA N N 123.960 0.05 1 2005 . 208 ALA H H 8.370 0.02 1 2006 . 208 ALA CA C 54.770 0.05 1 2007 . 208 ALA HA H 3.733 0.08 1 2008 . 208 ALA CB C 17.411 0.20 1 2009 . 208 ALA HB H 1.220 0.08 1 2010 . 208 ALA C C 178.764 0.05 1 2011 . 209 ALA N N 119.417 0.05 1 2012 . 209 ALA H H 7.568 0.02 1 2013 . 209 ALA CA C 54.560 0.05 1 2014 . 209 ALA HA H 4.234 0.08 1 2015 . 209 ALA CB C 17.627 0.20 1 2016 . 209 ALA HB H 1.454 0.08 1 2017 . 209 ALA C C 181.279 0.05 1 2018 . 210 GLU N N 120.669 0.05 1 2019 . 210 GLU H H 7.811 0.02 1 2020 . 210 GLU CA C 58.609 0.05 1 2021 . 210 GLU HA H 4.145 0.08 1 2022 . 210 GLU CB C 28.578 0.20 1 2023 . 210 GLU HB2 H 2.028 0.08 1 2024 . 210 GLU CG C 34.701 0.20 1 2025 . 210 GLU HG2 H 2.313 0.08 1 2026 . 210 GLU C C 178.147 0.05 1 2027 . 211 TRP N N 121.130 0.05 1 2028 . 211 TRP H H 8.450 0.02 1 2029 . 211 TRP CA C 61.660 0.05 1 2030 . 211 TRP HA H 4.146 0.08 1 2031 . 211 TRP CB C 27.897 0.20 1 2032 . 211 TRP HB2 H 3.663 0.08 1 2033 . 211 TRP CD1 C 126.427 0.20 4 2034 . 211 TRP HD1 H 7.332 0.08 1 2035 . 211 TRP NE1 N 116.767 0.05 1 2036 . 211 TRP HE1 H 11.643 0.08 4 2037 . 211 TRP C C 179.585 0.05 1 2038 . 212 ASP N N 119.673 0.05 1 2039 . 212 ASP H H 8.232 0.02 1 2040 . 212 ASP CA C 57.423 0.05 1 2041 . 212 ASP HA H 4.426 0.08 1 2042 . 212 ASP CB C 38.860 0.20 1 2043 . 212 ASP HB2 H 2.642 0.08 1 2044 . 212 ASP C C 178.538 0.05 1 2045 . 213 ARG N N 120.280 0.05 1 2046 . 213 ARG H H 7.814 0.02 1 2047 . 213 ARG CA C 58.911 0.05 1 2048 . 213 ARG HA H 3.997 0.08 1 2049 . 213 ARG CB C 30.400 0.20 1 2050 . 213 ARG HB2 H 1.916 0.08 1 2051 . 213 ARG CG C 27.875 0.20 1 2052 . 213 ARG HG3 H 1.494 0.08 2 2053 . 213 ARG HG2 H 1.715 0.08 2 2054 . 213 ARG CD C 43.074 0.20 1 2055 . 213 ARG HD2 H 3.132 0.08 1 2056 . 213 ARG NE N 83.405 0.05 1 2057 . 213 ARG HE H 7.654 0.08 1 2058 . 213 ARG C C 178.068 0.05 1 2059 . 214 LEU N N 116.875 0.05 1 2060 . 214 LEU H H 7.590 0.02 1 2061 . 214 LEU CA C 55.019 0.05 1 2062 . 214 LEU HA H 3.987 0.08 1 2063 . 214 LEU CB C 42.528 0.20 1 2064 . 214 LEU HB3 H 0.920 0.08 2 2065 . 214 LEU HB2 H 1.308 0.08 2 2066 . 214 LEU CG C 26.844 0.20 1 2067 . 214 LEU HG H 1.572 0.08 1 2068 . 214 LEU CD1 C 22.148 0.20 2 2069 . 214 LEU HD1 H 0.689 0.08 2 2070 . 214 LEU CD2 C 24.889 0.20 2 2071 . 214 LEU HD2 H 0.782 0.08 2 2072 . 214 LEU C C 176.219 0.05 1 2073 . 215 HIS N N 116.795 0.05 1 2074 . 215 HIS H H 7.681 0.02 1 2075 . 215 HIS CA C 52.764 0.05 1 2076 . 215 HIS HA H 4.714 0.08 1 2077 . 215 HIS CB C 26.865 0.20 1 2078 . 215 HIS HB3 H 2.473 0.08 2 2079 . 215 HIS HB2 H 2.810 0.08 2 2080 . 216 PRO CA C 62.938 0.05 1 2081 . 216 PRO HA H 4.471 0.08 1 2082 . 216 PRO CB C 31.721 0.20 1 2083 . 216 PRO HB3 H 1.748 0.08 2 2084 . 216 PRO HB2 H 2.230 0.08 2 2085 . 216 PRO CG C 27.148 0.20 1 2086 . 216 PRO HG2 H 1.944 0.08 1 2087 . 216 PRO CD C 50.451 0.20 1 2088 . 216 PRO HD3 H 3.470 0.08 2 2089 . 216 PRO HD2 H 3.681 0.08 2 2090 . 216 PRO C C 177.073 0.05 1 2091 . 217 VAL N N 120.833 0.05 1 2092 . 217 VAL H H 8.262 0.02 1 2093 . 217 VAL CA C 62.086 0.05 1 2094 . 217 VAL HA H 3.997 0.08 1 2095 . 217 VAL CB C 32.799 0.20 1 2096 . 217 VAL HB H 1.992 0.08 1 2097 . 217 VAL CG2 C 21.029 0.20 1 2098 . 217 VAL CG1 C 20.933 0.20 1 2099 . 217 VAL HG2 H 0.929 0.08 1 2100 . 217 VAL C C 176.206 0.05 1 2101 . 218 HIS N N 124.543 0.05 1 2102 . 218 HIS H H 8.943 0.02 1 2103 . 218 HIS CA C 55.148 0.05 1 2104 . 218 HIS HA H 4.677 0.08 1 2105 . 218 HIS CB C 28.891 0.20 1 2106 . 218 HIS HB2 H 3.224 0.08 1 2107 . 218 HIS C C 174.096 0.05 1 2108 . 219 ALA N N 127.702 0.05 1 2109 . 219 ALA H H 8.560 0.02 1 2110 . 219 ALA CA C 52.315 0.05 1 2111 . 219 ALA HA H 4.386 0.08 1 2112 . 219 ALA CB C 19.277 0.20 1 2113 . 219 ALA HB H 1.401 0.08 1 2114 . 219 ALA C C 177.438 0.05 1 2115 . 220 GLY N N 109.220 0.05 1 2116 . 220 GLY H H 8.130 0.02 1 2117 . 220 GLY CA C 44.374 0.05 1 2118 . 220 GLY HA3 H 4.030 0.08 2 2119 . 220 GLY HA2 H 4.251 0.08 2 2120 . 221 PRO CA C 62.778 0.05 1 2121 . 221 PRO HA H 4.465 0.08 1 2122 . 221 PRO CB C 32.093 0.20 1 2123 . 221 PRO HB3 H 1.811 0.08 2 2124 . 221 PRO HB2 H 2.219 0.08 2 2125 . 221 PRO CG C 26.945 0.20 1 2126 . 221 PRO HG2 H 1.975 0.08 1 2127 . 221 PRO CD C 49.419 0.20 1 2128 . 221 PRO HD2 H 3.566 0.08 1 2129 . 221 PRO C C 176.895 0.05 1 2130 . 222 ILE N N 121.965 0.05 1 2131 . 222 ILE H H 8.349 0.02 1 2132 . 222 ILE CA C 60.039 0.05 1 2133 . 222 ILE HA H 4.206 0.08 1 2134 . 222 ILE CB C 38.547 0.20 1 2135 . 222 ILE HB H 1.802 0.08 1 2136 . 222 ILE CG1 C 26.857 0.20 2 2137 . 222 ILE HG13 H 1.216 0.08 9 2138 . 222 ILE HG12 H 1.460 0.08 9 2139 . 222 ILE CD1 C 12.495 0.20 1 2140 . 222 ILE HD1 H 0.804 0.08 1 2141 . 222 ILE CG2 C 17.553 0.20 2 2142 . 222 ILE HG2 H 0.812 0.08 1 2143 . 222 ILE C C 175.689 0.05 1 2144 . 223 ALA N N 130.623 0.05 1 2145 . 223 ALA H H 8.363 0.02 1 2146 . 223 ALA CA C 50.357 0.05 1 2147 . 223 ALA HA H 4.554 0.08 1 2148 . 223 ALA CB C 17.687 0.20 1 2149 . 223 ALA HB H 1.318 0.08 1 2150 . 224 PRO CA C 63.773 0.05 1 2151 . 224 PRO HA H 4.331 0.08 1 2152 . 224 PRO CB C 31.451 0.20 1 2153 . 224 PRO HB3 H 1.896 0.08 2 2154 . 224 PRO HB2 H 2.318 0.08 2 2155 . 224 PRO CG C 27.684 0.20 1 2156 . 224 PRO HG2 H 2.074 0.08 1 2157 . 224 PRO CD C 50.331 0.20 1 2158 . 224 PRO HD2 H 3.819 0.08 1 2159 . 224 PRO HD3 H 3.593 0.08 2 2160 . 224 PRO C C 178.108 0.05 1 2161 . 225 GLY N N 111.955 0.05 1 2162 . 225 GLY H H 8.738 0.02 1 2163 . 225 GLY CA C 45.302 0.05 1 2164 . 225 GLY HA3 H 3.728 0.08 2 2165 . 225 GLY HA2 H 4.180 0.08 2 2166 . 225 GLY C C 174.310 0.05 1 2167 . 226 GLN N N 119.632 0.05 1 2168 . 226 GLN H H 7.887 0.02 1 2169 . 226 GLN CA C 54.545 0.05 1 2170 . 226 GLN HA H 4.487 0.08 1 2171 . 226 GLN CB C 29.517 0.20 1 2172 . 226 GLN HB2 H 2.089 0.08 1 2173 . 226 GLN CG C 33.603 0.20 1 2174 . 226 GLN HG2 H 2.349 0.08 1 2175 . 226 GLN C C 175.102 0.05 1 2176 . 227 MET N N 120.988 0.05 1 2177 . 227 MET H H 8.480 0.02 1 2178 . 227 MET CA C 54.763 0.05 1 2179 . 227 MET HA H 4.484 0.08 1 2180 . 227 MET CB C 34.549 0.20 1 2181 . 227 MET HB3 H 1.992 0.08 2 2182 . 227 MET HB2 H 1.847 0.08 2 2183 . 227 MET CG C 31.284 0.20 1 2184 . 227 MET HG2 H 2.365 0.08 1 2185 . 227 MET CE C 15.955 0.20 1 2186 . 227 MET HE H 1.563 0.08 1 2187 . 227 MET C C 175.980 0.05 1 2188 . 228 ARG N N 123.707 0.05 1 2189 . 228 ARG H H 8.794 0.02 1 2190 . 228 ARG CA C 55.218 0.05 1 2191 . 228 ARG HA H 4.510 0.08 1 2192 . 228 ARG CB C 30.139 0.20 1 2193 . 228 ARG HB3 H 1.806 0.08 2 2194 . 228 ARG HB2 H 2.120 0.08 2 2195 . 228 ARG CG C 26.843 0.20 1 2196 . 228 ARG HG3 H 1.620 0.08 2 2197 . 228 ARG HG2 H 1.799 0.08 2 2198 . 228 ARG CD C 43.413 0.20 1 2199 . 228 ARG HD2 H 3.222 0.08 1 2200 . 228 ARG C C 174.946 0.05 1 2201 . 229 GLU N N 123.481 0.05 1 2202 . 229 GLU H H 8.734 0.02 1 2203 . 229 GLU CA C 54.090 0.05 1 2204 . 229 GLU HA H 4.466 0.08 1 2205 . 229 GLU CB C 29.167 0.20 1 2206 . 229 GLU HB2 H 2.049 0.08 1 2207 . 229 GLU HG2 H 2.446 0.08 1 2208 . 230 PRO CA C 62.513 0.05 1 2209 . 230 PRO HA H 4.186 0.08 1 2210 . 230 PRO CB C 33.708 0.20 1 2211 . 230 PRO HB2 H 2.318 0.08 1 2212 . 230 PRO CD C 49.030 0.20 1 2213 . 230 PRO HD3 H 2.678 0.08 2 2214 . 230 PRO HD2 H 3.468 0.08 2 2215 . 230 PRO C C 177.274 0.05 1 2216 . 231 ARG N N 121.908 0.05 1 2217 . 231 ARG H H 9.747 0.02 1 2218 . 231 ARG CA C 53.095 0.05 1 2219 . 231 ARG HA H 4.890 0.08 1 2220 . 231 ARG CB C 30.742 0.20 1 2221 . 231 ARG HB2 H 2.419 0.08 1 2222 . 231 ARG HB3 H 1.738 0.08 2 2223 . 231 ARG CG C 26.004 0.20 1 2224 . 231 ARG HG2 H 1.848 0.08 1 2225 . 231 ARG CD C 42.816 0.20 1 2226 . 231 ARG HD2 H 3.210 0.08 1 2227 . 232 GLY N N 116.835 0.05 1 2228 . 232 GLY H H 7.606 0.02 1 2229 . 232 GLY CA C 48.287 0.05 1 2230 . 232 GLY HA3 H 3.650 0.08 2 2231 . 232 GLY HA2 H 4.142 0.08 2 2232 . 232 GLY C C 176.077 0.05 1 2233 . 233 SER N N 114.779 0.05 1 2234 . 233 SER H H 9.261 0.02 1 2235 . 233 SER CA C 60.806 0.05 1 2236 . 233 SER HA H 4.031 0.08 1 2237 . 233 SER CB C 61.341 0.20 1 2238 . 233 SER HB2 H 3.985 0.08 1 2239 . 233 SER C C 176.744 0.05 1 2240 . 234 ASP N N 122.905 0.05 1 2241 . 234 ASP H H 7.350 0.02 1 2242 . 234 ASP CA C 56.776 0.05 1 2243 . 234 ASP HA H 4.348 0.08 1 2244 . 234 ASP C C 179.758 0.05 1 2245 . 235 ILE N N 125.551 0.05 1 2246 . 235 ILE H H 7.408 0.02 1 2247 . 235 ILE CA C 65.488 0.05 1 2248 . 235 ILE HA H 2.836 0.08 1 2249 . 235 ILE CB C 36.808 0.20 1 2250 . 235 ILE HB H 1.542 0.08 1 2251 . 235 ILE CG1 C 30.072 0.20 2 2252 . 235 ILE HG13 H -0.120 0.08 1 2253 . 235 ILE HG12 H 0.730 0.08 1 2254 . 235 ILE CD1 C 10.509 0.20 1 2255 . 235 ILE HD1 H -0.959 0.08 1 2256 . 235 ILE CG2 C 16.638 0.20 2 2257 . 235 ILE HG2 H -0.320 0.08 1 2258 . 235 ILE C C 172.600 0.05 1 2259 . 236 ALA N N 112.279 0.05 1 2260 . 236 ALA H H 7.026 0.02 1 2261 . 236 ALA CA C 50.442 0.05 1 2262 . 236 ALA HA H 2.319 0.08 1 2263 . 236 ALA CB C 18.357 0.20 1 2264 . 236 ALA HB H 1.180 0.08 1 2265 . 236 ALA C C 177.160 0.05 1 2266 . 237 GLY N N 102.105 0.05 1 2267 . 237 GLY H H 6.946 0.02 1 2268 . 237 GLY CA C 45.352 0.05 1 2269 . 237 GLY HA2 H 3.535 0.08 1 2270 . 237 GLY C C 173.712 0.05 1 2271 . 238 THR N N 113.080 0.05 1 2272 . 238 THR H H 8.233 0.02 1 2273 . 238 THR CA C 63.838 0.05 1 2274 . 238 THR HA H 4.293 0.08 1 2275 . 238 THR CB C 68.636 0.20 1 2276 . 238 THR HB H 4.221 0.08 1 2277 . 238 THR CG2 C 22.534 0.20 1 2278 . 238 THR HG2 H 1.197 0.08 1 2279 . 238 THR C C 177.027 0.05 1 2280 . 239 THR N N 106.133 0.05 1 2281 . 239 THR H H 7.141 0.02 1 2282 . 239 THR CA C 60.706 0.05 1 2283 . 239 THR HA H 4.631 0.08 1 2284 . 239 THR CB C 69.126 0.20 1 2285 . 239 THR HB H 4.658 0.08 1 2286 . 239 THR CG2 C 19.949 0.20 1 2287 . 239 THR HG2 H 1.079 0.08 1 2288 . 239 THR C C 173.103 0.05 1 2289 . 240 SER N N 112.218 0.05 1 2290 . 240 SER H H 7.169 0.02 1 2291 . 240 SER CA C 54.090 0.05 1 2292 . 240 SER HA H 5.323 0.08 1 2293 . 240 SER CB C 66.828 0.20 1 2294 . 240 SER HB3 H 4.323 0.08 2 2295 . 240 SER HB2 H 4.208 0.08 2 2296 . 240 SER C C 173.820 0.05 1 2297 . 241 THR N N 111.954 0.05 1 2298 . 241 THR H H 8.703 0.02 1 2299 . 241 THR CA C 59.263 0.05 1 2300 . 241 THR HA H 4.543 0.08 1 2301 . 241 THR CB C 71.451 0.20 1 2302 . 241 THR HB H 4.707 0.08 1 2303 . 241 THR CG2 C 21.619 0.20 1 2304 . 241 THR HG2 H 1.207 0.08 1 2305 . 241 THR C C 175.791 0.05 1 2306 . 242 LEU N N 122.827 0.05 1 2307 . 242 LEU H H 8.856 0.02 1 2308 . 242 LEU CA C 57.921 0.05 1 2309 . 242 LEU HA H 3.917 0.08 1 2310 . 242 LEU CB C 41.009 0.20 1 2311 . 242 LEU HB3 H 1.463 0.08 2 2312 . 242 LEU HB2 H 1.702 0.08 2 2313 . 242 LEU CG C 26.651 0.20 1 2314 . 242 LEU HG H 1.532 0.08 1 2315 . 242 LEU CD1 C 23.349 0.20 2 2316 . 242 LEU HD1 H 0.887 0.08 2 2317 . 242 LEU CD2 C 25.444 0.20 2 2318 . 242 LEU HD2 H 0.913 0.08 2 2319 . 242 LEU C C 178.061 0.05 1 2320 . 243 GLN N N 115.489 0.05 1 2321 . 243 GLN H H 8.247 0.02 1 2322 . 243 GLN CA C 59.444 0.05 1 2323 . 243 GLN HA H 3.793 0.08 1 2324 . 243 GLN CB C 27.616 0.20 1 2325 . 243 GLN HB3 H 1.978 0.08 2 2326 . 243 GLN HB2 H 1.826 0.08 2 2327 . 243 GLN CG C 34.028 0.20 1 2328 . 243 GLN HG2 H 2.343 0.08 1 2329 . 243 GLN C C 179.736 0.05 1 2330 . 244 GLU N N 120.656 0.05 1 2331 . 244 GLU H H 7.662 0.02 1 2332 . 244 GLU CA C 58.617 0.05 1 2333 . 244 GLU HA H 3.293 0.08 1 2334 . 244 GLU C C 177.577 0.05 1 2335 . 245 GLN N N 117.923 0.05 1 2336 . 245 GLN H H 8.133 0.02 1 2337 . 245 GLN CA C 59.794 0.05 1 2338 . 245 GLN HA H 4.130 0.08 1 2339 . 245 GLN CB C 29.114 0.20 1 2340 . 245 GLN HB2 H 2.036 0.08 1 2341 . 245 GLN CG C 35.560 0.20 1 2342 . 245 GLN HG2 H 2.263 0.08 1 2343 . 245 GLN C C 178.081 0.05 1 2344 . 246 ILE N N 118.252 0.05 1 2345 . 246 ILE H H 8.657 0.02 1 2346 . 246 ILE CA C 63.988 0.05 1 2347 . 246 ILE HA H 3.749 0.08 1 2348 . 246 ILE CB C 37.480 0.20 1 2349 . 246 ILE HB H 1.763 0.08 1 2350 . 246 ILE CG1 C 28.564 0.20 2 2351 . 246 ILE HG13 H 1.060 0.08 9 2352 . 246 ILE HG12 H 1.618 0.08 9 2353 . 246 ILE CD1 C 12.366 0.20 1 2354 . 246 ILE HD1 H 0.696 0.08 1 2355 . 246 ILE CG2 C 17.351 0.20 2 2356 . 246 ILE HG2 H 0.820 0.08 1 2357 . 246 ILE C C 179.599 0.05 1 2358 . 247 GLY N N 111.748 0.05 1 2359 . 247 GLY H H 8.163 0.02 1 2360 . 247 GLY CA C 47.123 0.05 1 2361 . 247 GLY HA2 H 3.620 0.08 1 2362 . 247 GLY C C 176.135 0.05 1 2363 . 248 TRP N N 122.093 0.05 1 2364 . 248 TRP H H 8.243 0.02 1 2365 . 248 TRP CA C 62.346 0.05 1 2366 . 248 TRP HA H 4.521 0.08 1 2367 . 248 TRP CB C 27.391 0.20 1 2368 . 248 TRP HB3 H 3.411 0.08 2 2369 . 248 TRP HB2 H 3.771 0.08 2 2370 . 248 TRP CD1 C 124.981 0.20 4 2371 . 248 TRP HD1 H 7.254 0.08 1 2372 . 248 TRP NE1 N 130.870 0.05 1 2373 . 248 TRP HE1 H 10.728 0.08 4 2374 . 248 TRP CZ2 C 113.759 0.20 4 2375 . 248 TRP HZ2 H 7.039 0.08 4 2376 . 248 TRP CE3 C 121.534 0.20 4 2377 . 248 TRP HE3 H 7.385 0.08 4 2378 . 248 TRP C C 178.923 0.05 1 2379 . 249 MET N N 117.333 0.05 1 2380 . 249 MET H H 8.551 0.02 1 2381 . 249 MET CA C 59.495 0.05 1 2382 . 249 MET HA H 4.083 0.08 1 2383 . 249 MET CB C 29.620 0.20 1 2384 . 249 MET HB2 H 2.064 0.08 1 2385 . 249 MET CG C 35.338 0.20 1 2386 . 249 MET HG2 H 2.370 0.08 1 2387 . 249 MET CE C 14.488 0.20 1 2388 . 249 MET HE H 1.988 0.08 1 2389 . 249 MET C C 177.499 0.05 1 2390 . 250 THR N N 104.871 0.05 1 2391 . 250 THR H H 7.965 0.02 1 2392 . 250 THR CA C 61.070 0.05 1 2393 . 250 THR HA H 4.541 0.08 1 2394 . 250 THR CB C 69.924 0.20 1 2395 . 250 THR HB H 4.494 0.08 1 2396 . 250 THR CG2 C 21.290 0.20 1 2397 . 250 THR HG2 H 1.257 0.08 1 2398 . 250 THR C C 173.886 0.05 1 2399 . 251 HIS N N 123.018 0.05 1 2400 . 251 HIS H H 7.302 0.02 1 2401 . 251 HIS CA C 56.809 0.05 1 2402 . 251 HIS HA H 4.268 0.08 1 2403 . 251 HIS CB C 28.241 0.20 1 2404 . 251 HIS HB3 H 3.344 0.08 2 2405 . 251 HIS HB2 H 3.844 0.08 2 2406 . 251 HIS CD2 C 118.994 0.20 1 2407 . 251 HIS HD2 H 6.333 0.08 3 2408 . 251 HIS C C 171.925 0.05 1 2409 . 252 ASN N N 119.738 0.05 1 2410 . 252 ASN H H 7.637 0.02 1 2411 . 252 ASN CA C 49.116 0.05 1 2412 . 252 ASN HA H 5.107 0.08 1 2413 . 252 ASN CB C 39.509 0.20 1 2414 . 252 ASN HB3 H 2.567 0.08 2 2415 . 252 ASN HB2 H 2.796 0.08 2 2416 . 253 PRO CA C 62.042 0.05 1 2417 . 253 PRO HA H 5.224 0.08 1 2418 . 253 PRO CB C 32.967 0.20 1 2419 . 253 PRO HB2 H 2.465 0.08 1 2420 . 253 PRO CD C 50.309 0.20 1 2421 . 253 PRO HD3 H 3.908 0.08 2 2422 . 253 PRO HD2 H 3.732 0.08 2 2423 . 254 PRO CA C 64.005 0.05 1 2424 . 254 PRO HA H 4.559 0.08 1 2425 . 254 PRO CB C 31.937 0.20 1 2426 . 254 PRO HB3 H 2.347 0.08 2 2427 . 254 PRO HB2 H 1.977 0.08 2 2428 . 254 PRO CG C 27.322 0.20 1 2429 . 254 PRO HG2 H 2.046 0.08 1 2430 . 254 PRO CD C 50.659 0.20 1 2431 . 254 PRO HD2 H 3.771 0.08 1 2432 . 254 PRO C C 175.808 0.05 1 2433 . 255 ILE N N 121.782 0.05 1 2434 . 255 ILE H H 8.212 0.02 1 2435 . 255 ILE CA C 59.191 0.05 1 2436 . 255 ILE HA H 4.568 0.08 1 2437 . 255 ILE CB C 38.550 0.20 1 2438 . 255 ILE HB H 1.748 0.08 1 2439 . 255 ILE CG1 C 27.081 0.20 2 2440 . 255 ILE HG13 H 1.048 0.08 1 2441 . 255 ILE HG12 H 1.628 0.08 1 2442 . 255 ILE CD1 C 14.192 0.20 1 2443 . 255 ILE HD1 H 0.800 0.08 1 2444 . 255 ILE CG2 C 17.263 0.20 1 2445 . 255 ILE HG2 H 0.492 0.08 1 2446 . 256 PRO CA C 62.347 0.05 1 2447 . 256 PRO HA H 4.774 0.08 1 2448 . 256 PRO C C 176.723 0.05 1 2449 . 257 VAL N N 115.974 0.05 1 2450 . 257 VAL H H 8.925 0.02 1 2451 . 257 VAL CA C 65.763 0.05 1 2452 . 257 VAL HA H 3.441 0.08 1 2453 . 257 VAL CG2 C 19.284 0.20 2 2454 . 257 VAL HG2 H 1.173 0.08 2 2455 . 257 VAL CG1 C 23.506 0.20 2 2456 . 257 VAL HG1 H 0.592 0.08 2 2457 . 257 VAL C C 176.457 0.05 1 2458 . 258 GLY N N 106.588 0.05 1 2459 . 258 GLY H H 7.822 0.02 1 2460 . 258 GLY CA C 47.143 0.05 1 2461 . 258 GLY HA3 H 3.558 0.08 2 2462 . 258 GLY HA2 H 4.099 0.08 2 2463 . 258 GLY C C 174.695 0.05 1 2464 . 259 GLU N N 122.127 0.05 1 2465 . 259 GLU H H 7.644 0.02 1 2466 . 259 GLU CA C 58.394 0.05 1 2467 . 259 GLU HA H 3.909 0.08 1 2468 . 259 GLU CB C 29.113 0.20 1 2469 . 259 GLU HB2 H 2.102 0.08 1 2470 . 259 GLU CG C 35.512 0.20 1 2471 . 259 GLU HG3 H 2.408 0.08 2 2472 . 259 GLU HG2 H 2.256 0.08 2 2473 . 259 GLU C C 179.352 0.05 1 2474 . 260 ILE N N 120.733 0.05 1 2475 . 260 ILE H H 8.104 0.02 1 2476 . 260 ILE CA C 65.166 0.05 1 2477 . 260 ILE HA H 3.232 0.08 1 2478 . 260 ILE CD1 C 13.293 0.20 1 2479 . 260 ILE HD1 H 0.321 0.08 1 2480 . 260 ILE CG2 C 18.095 0.20 2 2481 . 260 ILE HG2 H 0.028 0.08 1 2482 . 260 ILE C C 176.192 0.05 1 2483 . 261 TYR N N 116.885 0.05 1 2484 . 261 TYR H H 7.315 0.02 1 2485 . 261 TYR CA C 56.193 0.05 1 2486 . 261 TYR HA H 3.622 0.08 1 2487 . 261 TYR CB C 41.810 0.20 1 2488 . 261 TYR HB2 H 2.951 0.08 1 2489 . 261 TYR CD1 C 129.254 0.20 3 2490 . 261 TYR HD1 H 6.752 0.08 3 2491 . 261 TYR CE1 C 116.728 0.20 3 2492 . 261 TYR HE1 H 6.672 0.08 3 2493 . 261 TYR C C 178.664 0.05 1 2494 . 262 LYS N N 116.630 0.05 1 2495 . 262 LYS H H 8.009 0.02 1 2496 . 262 LYS CA C 60.426 0.05 1 2497 . 262 LYS HA H 3.540 0.08 1 2498 . 262 LYS CB C 32.050 0.20 1 2499 . 262 LYS HB2 H 1.819 0.08 1 2500 . 262 LYS C C 177.730 0.05 1 2501 . 263 ARG N N 117.925 0.05 1 2502 . 263 ARG H H 7.554 0.02 1 2503 . 263 ARG CA C 59.887 0.05 1 2504 . 263 ARG HA H 4.000 0.08 1 2505 . 263 ARG CB C 28.862 0.20 1 2506 . 263 ARG HB2 H 2.074 0.08 1 2507 . 263 ARG C C 179.167 0.05 1 2508 . 264 TRP N N 121.846 0.05 1 2509 . 264 TRP H H 8.016 0.02 1 2510 . 264 TRP CA C 58.084 0.05 1 2511 . 264 TRP HA H 4.660 0.08 1 2512 . 264 TRP NE1 N 128.606 0.05 1 2513 . 264 TRP HE1 H 9.996 0.08 4 2514 . 264 TRP CE3 C 119.370 0.20 4 2515 . 264 TRP HE3 H 7.474 0.08 4 2516 . 264 TRP C C 178.591 0.05 1 2517 . 265 ILE N N 119.542 0.05 1 2518 . 265 ILE H H 8.470 0.02 1 2519 . 265 ILE CA C 65.349 0.05 1 2520 . 265 ILE HA H 3.417 0.08 1 2521 . 265 ILE CB C 37.949 0.20 1 2522 . 265 ILE HB H 1.677 0.08 1 2523 . 265 ILE CD1 C 14.541 0.20 1 2524 . 265 ILE HD1 H 0.030 0.08 1 2525 . 265 ILE CG2 C 17.822 0.20 2 2526 . 265 ILE HG2 H 0.234 0.08 1 2527 . 265 ILE C C 178.081 0.05 1 2528 . 266 ILE N N 121.368 0.05 1 2529 . 266 ILE H H 8.798 0.02 1 2530 . 266 ILE CA C 66.111 0.05 1 2531 . 266 ILE HA H 3.443 0.08 1 2532 . 266 ILE CB C 37.520 0.20 1 2533 . 266 ILE HB H 1.979 0.08 1 2534 . 266 ILE CG1 C 30.757 0.20 2 2535 . 266 ILE HG12 H 1.898 0.08 2 2536 . 266 ILE CD1 C 13.483 0.20 1 2537 . 266 ILE HD1 H 0.878 0.08 1 2538 . 266 ILE CG2 C 17.193 0.20 2 2539 . 266 ILE HG2 H 0.925 0.08 1 2540 . 266 ILE C C 178.260 0.05 1 2541 . 267 LEU N N 122.321 0.05 1 2542 . 267 LEU H H 8.247 0.02 1 2543 . 267 LEU CA C 58.693 0.05 1 2544 . 267 LEU HA H 4.210 0.08 1 2545 . 267 LEU CB C 41.218 0.20 1 2546 . 267 LEU HB3 H 1.705 0.08 2 2547 . 267 LEU HB2 H 2.021 0.08 2 2548 . 267 LEU CG C 26.681 0.20 1 2549 . 267 LEU HG H 1.745 0.08 1 2550 . 267 LEU CD1 C 24.636 0.20 2 2551 . 267 LEU HD1 H 0.936 0.08 2 2552 . 267 LEU CD2 C 23.903 0.20 2 2553 . 267 LEU HD2 H 0.879 0.08 2 2554 . 267 LEU C C 180.584 0.05 1 2555 . 268 GLY N N 107.526 0.05 1 2556 . 268 GLY H H 8.115 0.02 1 2557 . 268 GLY CA C 47.474 0.05 1 2558 . 268 GLY HA3 H 3.761 0.08 2 2559 . 268 GLY HA2 H 3.935 0.08 2 2560 . 268 GLY C C 175.477 0.05 1 2561 . 269 LEU N N 122.877 0.05 1 2562 . 269 LEU H H 9.402 0.02 1 2563 . 269 LEU CA C 57.920 0.05 1 2564 . 269 LEU HA H 3.963 0.08 1 2565 . 269 LEU CB C 41.313 0.20 1 2566 . 269 LEU HB2 H 1.534 0.08 1 2567 . 269 LEU HB3 H 2.034 0.08 2 2568 . 269 LEU CG C 26.944 0.20 1 2569 . 269 LEU HG H 1.510 0.08 1 2570 . 269 LEU CD1 C 22.107 0.20 2 2571 . 269 LEU HD1 H 0.663 0.08 2 2572 . 269 LEU CD2 C 25.534 0.20 2 2573 . 269 LEU HD2 H 0.337 0.08 2 2574 . 269 LEU C C 178.717 0.05 1 2575 . 270 ASN N N 117.683 0.05 1 2576 . 270 ASN H H 8.714 0.02 1 2577 . 270 ASN CA C 56.753 0.05 1 2578 . 270 ASN HA H 4.261 0.08 1 2579 . 270 ASN CB C 38.927 0.20 1 2580 . 270 ASN HB3 H 2.681 0.08 2 2581 . 270 ASN HB2 H 3.008 0.08 2 2582 . 270 ASN C C 177.703 0.05 1 2583 . 271 LYS N N 119.241 0.05 1 2584 . 271 LYS H H 7.577 0.02 1 2585 . 271 LYS CA C 59.728 0.05 1 2586 . 271 LYS HA H 4.021 0.08 1 2587 . 271 LYS CB C 32.493 0.20 1 2588 . 271 LYS HB2 H 1.988 0.08 1 2589 . 271 LYS CG C 28.515 0.20 1 2590 . 271 LYS HG2 H 2.082 0.08 1 2591 . 271 LYS C C 178.784 0.05 1 2592 . 272 ILE N N 119.755 0.05 1 2593 . 272 ILE H H 7.931 0.02 1 2594 . 272 ILE CA C 65.016 0.05 1 2595 . 272 ILE HA H 3.668 0.08 1 2596 . 272 ILE CB C 38.332 0.20 1 2597 . 272 ILE HB H 1.850 0.08 1 2598 . 272 ILE CG1 C 27.045 0.20 2 2599 . 272 ILE HG12 H 1.683 0.08 2 2600 . 272 ILE CD1 C 14.664 0.20 1 2601 . 272 ILE HD1 H 0.600 0.08 1 2602 . 272 ILE CG2 C 17.955 0.20 2 2603 . 272 ILE HG2 H 0.581 0.08 1 2604 . 272 ILE C C 178.200 0.05 1 2605 . 273 VAL N N 118.407 0.05 1 2606 . 273 VAL H H 8.504 0.02 1 2607 . 273 VAL CA C 65.430 0.05 1 2608 . 273 VAL HA H 3.926 0.08 1 2609 . 273 VAL CB C 31.689 0.20 1 2610 . 273 VAL HB H 2.219 0.08 1 2611 . 273 VAL CG2 C 21.856 0.20 2 2612 . 273 VAL HG2 H 1.026 0.08 2 2613 . 273 VAL CG1 C 20.917 0.20 2 2614 . 273 VAL HG1 H 0.985 0.08 2 2615 . 273 VAL C C 178.578 0.05 1 2616 . 274 ARG N N 117.988 0.05 1 2617 . 274 ARG H H 7.611 0.02 1 2618 . 274 ARG CA C 58.352 0.05 1 2619 . 274 ARG HA H 4.140 0.08 1 2620 . 274 ARG CD C 43.260 0.20 1 2621 . 274 ARG HD2 H 3.188 0.08 1 2622 . 274 ARG C C 177.929 0.05 1 2623 . 275 MET N N 117.693 0.05 1 2624 . 275 MET H H 7.813 0.02 1 2625 . 275 MET CA C 57.091 0.05 1 2626 . 275 MET HA H 4.202 0.08 1 2627 . 275 MET CB C 32.819 0.20 1 2628 . 275 MET HB2 H 1.920 0.08 1 2629 . 275 MET CG C 31.601 0.20 1 2630 . 275 MET HG2 H 2.277 0.08 1 2631 . 275 MET C C 176.890 0.05 1 2632 . 276 TYR N N 117.531 0.05 1 2633 . 276 TYR H H 8.057 0.02 1 2634 . 276 TYR CA C 58.368 0.05 1 2635 . 276 TYR HA H 4.604 0.08 1 2636 . 276 TYR CB C 38.675 0.20 1 2637 . 276 TYR HB3 H 2.912 0.08 2 2638 . 276 TYR HB2 H 3.273 0.08 2 2639 . 276 TYR CD1 C 133.057 0.20 2 2640 . 276 TYR HD1 H 7.205 0.08 2 2641 . 276 TYR CE1 C 117.962 0.20 3 2642 . 276 TYR HE1 H 6.703 0.08 3 2643 . 276 TYR C C 175.675 0.05 1 2644 . 277 SER N N 117.678 0.05 1 2645 . 277 SER H H 7.905 0.02 1 2646 . 277 SER CA C 56.643 0.05 1 2647 . 277 SER HA H 4.796 0.08 1 2648 . 277 SER CB C 63.439 0.20 1 2649 . 277 SER HB2 H 3.980 0.08 1 2650 . 278 PRO CA C 63.906 0.05 1 2651 . 278 PRO HA H 4.128 0.08 1 2652 . 278 PRO CB C 31.868 0.20 1 2653 . 278 PRO HB3 H 2.029 0.08 2 2654 . 278 PRO HB2 H 2.364 0.08 2 2655 . 278 PRO CG C 27.259 0.20 1 2656 . 278 PRO HG2 H 2.062 0.08 1 2657 . 278 PRO CD C 50.652 0.20 1 2658 . 278 PRO HD2 H 3.806 0.08 1 2659 . 278 PRO C C 177.624 0.05 1 2660 . 279 THR N N 111.536 0.05 1 2661 . 279 THR H H 8.055 0.02 1 2662 . 279 THR CA C 62.331 0.05 1 2663 . 279 THR HA H 4.273 0.08 1 2664 . 279 THR CB C 69.191 0.20 1 2665 . 279 THR HB H 4.261 0.08 1 2666 . 279 THR CG2 C 21.576 0.20 1 2667 . 279 THR HG2 H 1.220 0.08 1 2668 . 279 THR C C 175.052 0.05 1 2669 . 280 SER N N 117.882 0.05 1 2670 . 280 SER H H 8.085 0.02 1 2671 . 280 SER CA C 58.766 0.05 1 2672 . 280 SER HA H 4.418 0.08 1 2673 . 280 SER CB C 63.500 0.20 1 2674 . 280 SER HB2 H 3.927 0.08 1 2675 . 280 SER C C 174.943 0.05 1 2676 . 281 ILE N N 121.633 0.05 1 2677 . 281 ILE H H 7.986 0.02 1 2678 . 281 ILE CA C 61.535 0.05 1 2679 . 281 ILE HA H 4.078 0.08 1 2680 . 281 ILE CB C 38.245 0.20 1 2681 . 281 ILE HB H 1.848 0.08 1 2682 . 281 ILE CG1 C 27.195 0.20 2 2683 . 281 ILE HG13 H 1.166 0.08 9 2684 . 281 ILE HG12 H 1.431 0.08 9 2685 . 281 ILE CD1 C 13.077 0.20 1 2686 . 281 ILE HD1 H 0.842 0.08 1 2687 . 281 ILE CG2 C 17.425 0.20 2 2688 . 281 ILE HG2 H 0.812 0.08 1 2689 . 281 ILE C C 176.206 0.05 1 2690 . 282 LEU N N 123.726 0.05 1 2691 . 282 LEU H H 7.984 0.02 1 2692 . 282 LEU CA C 55.201 0.05 1 2693 . 282 LEU HA H 4.190 0.08 1 2694 . 282 LEU CB C 40.809 0.20 1 2695 . 282 LEU HB3 H 1.341 0.08 2 2696 . 282 LEU HB2 H 1.504 0.08 2 2697 . 282 LEU CG C 26.788 0.20 1 2698 . 282 LEU HG H 1.466 0.08 1 2699 . 282 LEU CD1 C 24.700 0.20 2 2700 . 282 LEU HD1 H 0.822 0.08 2 2701 . 282 LEU CD2 C 23.311 0.20 2 2702 . 282 LEU HD2 H 0.781 0.08 2 2703 . 282 LEU C C 177.099 0.05 1 2704 . 283 HIS N N 117.831 0.05 1 2705 . 283 HIS H H 8.228 0.02 1 2706 . 283 HIS CA C 55.019 0.05 1 2707 . 283 HIS HA H 4.633 0.08 1 2708 . 283 HIS CB C 28.837 0.20 1 2709 . 283 HIS HB2 H 3.122 0.08 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 130 '134,138,140' '133,135,139,141' '277,278' '359,363' 364 1503 2033 2036 '2370,2374,2376' '2373,2375,2377' 2514 '2513,2515' stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details ; Both the degenerated methylene protons and individual ones were assigned, the list in this saveframe are mostly for the individual protons. ; loop_ _Experiment_label '1H-15N HSQC' '1H-15N TROSY' '15N-edited NOESY-HSQC' '15N-edited TOCSY-HSQC' HNCA HN(CO)CA HNCO HNHA '15N,15N-edited HSQC-NOESY-HSQC' '15N,13C-edited HSQC-NOESY-HMQC' '13C,13C-edited HMQC-NOESY-HMQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Gag283 _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 . 6 VAL HG2 H 0.730 0.02 1 2 . 10 GLY HA2 H 3.953 0.02 1 3 . 30 LEU HB2 H 1.819 0.02 1 4 . 39 GLU HB2 H 1.561 0.02 1 5 . 73 GLU HG2 H 2.454 0.02 1 6 . 92 ASP HB2 H 2.562 0.02 1 7 . 148 PRO HD2 H 3.985 0.02 1 8 . 167 VAL HG2 H 1.020 0.02 1 9 . 205 ASN HB2 H 2.819 0.02 1 10 . 206 GLU HB2 H 2.161 0.02 1 11 . 227 MET HB2 H 2.001 0.02 1 12 . 228 ARG HG2 H 2.400 0.02 1 13 . 243 GLN HB2 H 1.915 0.02 1 14 . 259 GLU HG2 H 2.417 0.02 2 stop_ save_