data_6763 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the middle domain of human release factor eRF1 ; _BMRB_accession_number 6763 _BMRB_flat_file_name bmr6763.str _Entry_type original _Submission_date 2005-08-08 _Accession_date 2005-08-08 _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 Polshakov Vladimi I. . 2 Birdsall Berry . . 3 Ivanova Elena . . 4 Kisselev Lev L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 653 "13C chemical shifts" 459 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-07 update BMRB 'complete entry citation' 2006-03-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Assignments of the Middle Domain of Human Polypeptide Release Factor eRF1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16502324 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ivanova Elena V. . 2 Kolosov Peter M. . 3 Birdsall Berry . . 4 Kisselev Lev L. . 5 Polshakov Vladimir I. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8 _Page_last 8 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'middle domain of human eRF1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'middle domain of human eRF1' $middle_domain_of_human_eRF1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_middle_domain_of_human_eRF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'middle domain of human release factor eRF1' _Molecular_mass 14947 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; LSDDSKFGFIVIDGSGALFG TLQGNTREVLHKFTVDLPKK HGRGGQSALRFARLRMEKRH NYVRKVAETAVQLFISGDKV NVAGLVLAGSADFKTELSQS DMFDQRLQSKVLKLVDISYG GENGFNQAIELSTEVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 140 LEU 2 141 SER 3 142 ASP 4 143 ASP 5 144 SER 6 145 LYS 7 146 PHE 8 147 GLY 9 148 PHE 10 149 ILE 11 150 VAL 12 151 ILE 13 152 ASP 14 153 GLY 15 154 SER 16 155 GLY 17 156 ALA 18 157 LEU 19 158 PHE 20 159 GLY 21 160 THR 22 161 LEU 23 162 GLN 24 163 GLY 25 164 ASN 26 165 THR 27 166 ARG 28 167 GLU 29 168 VAL 30 169 LEU 31 170 HIS 32 171 LYS 33 172 PHE 34 173 THR 35 174 VAL 36 175 ASP 37 176 LEU 38 177 PRO 39 178 LYS 40 179 LYS 41 180 HIS 42 181 GLY 43 182 ARG 44 183 GLY 45 184 GLY 46 185 GLN 47 186 SER 48 187 ALA 49 188 LEU 50 189 ARG 51 190 PHE 52 191 ALA 53 192 ARG 54 193 LEU 55 194 ARG 56 195 MET 57 196 GLU 58 197 LYS 59 198 ARG 60 199 HIS 61 200 ASN 62 201 TYR 63 202 VAL 64 203 ARG 65 204 LYS 66 205 VAL 67 206 ALA 68 207 GLU 69 208 THR 70 209 ALA 71 210 VAL 72 211 GLN 73 212 LEU 74 213 PHE 75 214 ILE 76 215 SER 77 216 GLY 78 217 ASP 79 218 LYS 80 219 VAL 81 220 ASN 82 221 VAL 83 222 ALA 84 223 GLY 85 224 LEU 86 225 VAL 87 226 LEU 88 227 ALA 89 228 GLY 90 229 SER 91 230 ALA 92 231 ASP 93 232 PHE 94 233 LYS 95 234 THR 96 235 GLU 97 236 LEU 98 237 SER 99 238 GLN 100 239 SER 101 240 ASP 102 241 MET 103 242 PHE 104 243 ASP 105 244 GLN 106 245 ARG 107 246 LEU 108 247 GLN 109 248 SER 110 249 LYS 111 250 VAL 112 251 LEU 113 252 LYS 114 253 LEU 115 254 VAL 116 255 ASP 117 256 ILE 118 257 SER 119 258 TYR 120 259 GLY 121 260 GLY 122 261 GLU 123 262 ASN 124 263 GLY 125 264 PHE 126 265 ASN 127 266 GLN 128 267 ALA 129 268 ILE 130 269 GLU 131 270 LEU 132 271 SER 133 272 THR 134 273 GLU 135 274 VAL 136 275 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 19506 eRF1 100.00 445 100.00 100.00 1.44e-87 PDB 1DT9 "The Crystal Structure Of Human Eukaryotic Release Factor Erf1-Mechanism Of Stop Codon Recognition And Peptidyl-Trna Hydrolysis" 100.00 437 100.00 100.00 7.24e-88 PDB 2HST "Solution Structure Of The Middle Domain Of Human Eukaryotic Translation Termination Factor Erf1" 100.00 143 100.00 100.00 3.69e-91 PDB 3E1Y "Crystal Structure Of Human Erf1ERF3 COMPLEX" 100.00 451 100.00 100.00 1.69e-87 PDB 3J5Y "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" 100.00 414 100.00 100.00 2.07e-88 DBJ BAA13439 "eRF1 [Mus musculus]" 100.00 338 99.26 100.00 4.36e-88 DBJ BAA85489 "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" 100.00 437 100.00 100.00 7.24e-88 DBJ BAC33839 "unnamed protein product [Mus musculus]" 100.00 437 99.26 100.00 3.82e-87 DBJ BAE31210 "unnamed protein product [Mus musculus]" 100.00 387 100.00 100.00 3.13e-88 DBJ BAE31619 "unnamed protein product [Mus musculus]" 100.00 387 100.00 100.00 3.13e-88 EMBL CAA37987 "suppressor [Xenopus laevis]" 100.00 437 100.00 100.00 5.47e-88 EMBL CAA57281 "C11 protein [Homo sapiens]" 100.00 437 100.00 100.00 7.24e-88 EMBL CAA57282 "C11 protein [Mesocricetus auratus]" 100.00 437 100.00 100.00 7.24e-88 EMBL CAA78620 "XLCL1 [Xenopus laevis]" 100.00 437 100.00 100.00 5.47e-88 EMBL CAH93389 "hypothetical protein [Pongo abelii]" 100.00 437 100.00 100.00 6.57e-88 GB AAA36665 "TB3-1 [Homo sapiens]" 100.00 428 100.00 100.00 2.59e-88 GB AAB49726 "eukaryotic release factor 1 [Homo sapiens]" 100.00 437 100.00 100.00 7.24e-88 GB AAD43966 "eRF1 [Homo sapiens]" 100.00 437 100.00 100.00 7.24e-88 GB AAH13717 "Eukaryotic translation termination factor 1 [Mus musculus]" 100.00 437 100.00 100.00 7.48e-88 GB AAH14269 "ETF1 protein [Homo sapiens]" 100.00 404 100.00 100.00 3.95e-88 REF NP_001008345 "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" 100.00 437 100.00 100.00 7.24e-88 REF NP_001069722 "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 100.00 437 100.00 100.00 7.24e-88 REF NP_001076236 "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" 100.00 437 100.00 100.00 7.24e-88 REF NP_001084363 "eukaryotic peptide chain release factor subunit 1 [Xenopus laevis]" 100.00 437 100.00 100.00 5.47e-88 REF NP_001126989 "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" 100.00 437 100.00 100.00 6.57e-88 SP P35615 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=O" 100.00 437 100.00 100.00 5.47e-88 SP P62495 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=P" 100.00 437 100.00 100.00 7.24e-88 SP P62496 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=Protein Cl1; Short=eR" 100.00 437 100.00 100.00 7.24e-88 SP P62497 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1 [Oryctolagus cun" 100.00 437 100.00 100.00 7.24e-88 SP P62498 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1 [Xenopus (Silura" 100.00 437 100.00 100.00 7.64e-88 TPG DAA27419 "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 100.00 437 100.00 100.00 7.24e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $middle_domain_of_human_eRF1 Human 9606 Eukaryota Metazoa Homo sapiens 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 _Vendor_name $middle_domain_of_human_eRF1 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET23b(+) Novagen 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 $middle_domain_of_human_eRF1 1.2 mM '[U-95% 13C; U-95% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $middle_domain_of_human_eRF1 1.2 mM '[U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Frank Delaglio' 'NIH Laboratory of Chemical Physics, NIDDK' . stop_ loop_ _Task 'spectra processing' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name AutoAssign _Version 1.11.00 loop_ _Vendor _Address _Electronic_address 'G.T. Montelione' . . stop_ loop_ _Task 'automated peak assignments' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version 3.106 loop_ _Vendor _Address _Electronic_address 'T. D. Goddard' 'University of California, San Francisco' . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_INOVA _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_600MHz_AVANCE _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_800MHz_INOVA _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_500MHz_UNITY _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label . save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HCCH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_TOCSY _Sample_label . save_ save_15N_NOESY_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_NOESY_HSQC _Sample_label . save_ save_13C_NOESY_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_NOESY_HSQC _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH pressure 1 0.01 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $Citation_1 $Citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $Citation_1 $Citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $Citation_1 $Citation_1 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC 1H13C_HSQC HNCO HNCA HN(CO)CA HNCACB CBCA(CO)NH HBHA(CO)NH HCCH_TOCSY 15N_NOESY_HSQC 13C_NOESY_HSQC stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'middle domain of human eRF1' _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 1 142 3 ASP HA H 4.68 0.000 . 2 142 3 ASP HB2 H 2.73 0.000 . 3 142 3 ASP HB3 H 2.60 0.000 . 4 142 3 ASP CA C 54.56 0.015 . 5 142 3 ASP CB C 41.25 0.000 . 6 143 4 ASP H H 8.30 0.006 . 7 143 4 ASP HA H 4.62 0.012 . 8 143 4 ASP HB2 H 2.69 0.012 . 9 143 4 ASP HB3 H 2.52 0.010 . 10 143 4 ASP C C 176.57 0.000 . 11 143 4 ASP CA C 54.41 0.047 . 12 143 4 ASP CB C 41.42 0.078 . 13 143 4 ASP N N 119.91 0.110 . 14 144 5 SER H H 8.47 0.004 . 15 144 5 SER HA H 4.17 0.010 . 16 144 5 SER HB2 H 3.67 0.007 . 17 144 5 SER HB3 H 3.24 0.006 . 18 144 5 SER C C 171.77 0.000 . 19 144 5 SER CA C 59.44 0.065 . 20 144 5 SER CB C 64.19 0.051 . 21 144 5 SER N N 117.64 0.134 . 22 145 6 LYS H H 8.35 0.010 . 23 145 6 LYS HA H 5.02 0.007 . 24 145 6 LYS HB2 H 1.87 0.004 . 25 145 6 LYS HB3 H 1.62 0.004 . 26 145 6 LYS C C 174.13 0.000 . 27 145 6 LYS CA C 54.70 0.048 . 28 145 6 LYS CB C 34.83 0.018 . 29 145 6 LYS N N 123.69 0.049 . 30 146 7 PHE H H 9.38 0.005 . 31 146 7 PHE HA H 4.97 0.007 . 32 146 7 PHE HB2 H 2.83 0.011 . 33 146 7 PHE HB3 H 2.73 0.011 . 34 146 7 PHE HD1 H 6.90 0.010 . 35 146 7 PHE HD2 H 6.90 0.010 . 36 146 7 PHE HE1 H 6.99 0.001 . 37 146 7 PHE HE2 H 6.99 0.001 . 38 146 7 PHE HZ H 7.12 0.001 . 39 146 7 PHE C C 175.76 0.000 . 40 146 7 PHE CA C 57.37 0.033 . 41 146 7 PHE CB C 42.54 0.100 . 42 146 7 PHE CD1 C 110.70 36.150 . 43 146 7 PHE CD2 C 110.70 36.150 . 44 146 7 PHE N N 123.32 0.041 . 45 147 8 GLY H H 8.83 0.006 . 46 147 8 GLY HA2 H 5.25 0.004 . 47 147 8 GLY HA3 H 2.88 0.003 . 48 147 8 GLY C C 182.60 0.000 . 49 147 8 GLY CA C 44.50 0.044 . 50 147 8 GLY N N 106.92 0.068 . 51 148 9 PHE H H 9.53 0.008 . 52 148 9 PHE HA H 5.39 0.005 . 53 148 9 PHE HB2 H 2.66 0.006 . 54 148 9 PHE HB3 H 2.40 0.004 . 55 148 9 PHE HD1 H 6.98 0.008 . 56 148 9 PHE HD2 H 6.98 0.008 . 57 148 9 PHE HE1 H 7.47 0.008 . 58 148 9 PHE HE2 H 7.47 0.008 . 59 148 9 PHE C C 174.77 0.000 . 60 148 9 PHE CA C 56.61 0.078 . 61 148 9 PHE CB C 43.71 0.044 . 62 148 9 PHE CZ C 47.30 0.000 . 63 148 9 PHE N N 120.94 0.057 . 64 149 10 ILE H H 8.25 0.006 . 65 149 10 ILE HA H 4.37 0.005 . 66 149 10 ILE HB H 1.67 0.008 . 67 149 10 ILE HG2 H 0.47 0.003 . 68 149 10 ILE HD1 H 0.88 0.005 . 69 149 10 ILE C C 173.33 0.000 . 70 149 10 ILE CA C 61.24 0.077 . 71 149 10 ILE CB C 40.35 0.077 . 72 149 10 ILE CG2 C 16.58 0.000 . 73 149 10 ILE CD1 C 15.00 0.005 . 74 149 10 ILE N N 121.41 0.062 . 75 150 11 VAL H H 8.86 0.007 . 76 150 11 VAL HA H 4.97 0.008 . 77 150 11 VAL HB H 1.26 0.018 . 78 150 11 VAL HG1 H 0.80 0.002 . 79 150 11 VAL HG2 H 0.72 0.005 . 80 150 11 VAL C C 175.83 0.000 . 81 150 11 VAL CA C 60.71 0.050 . 82 150 11 VAL CB C 33.53 0.000 . 83 150 11 VAL N N 127.38 0.059 . 84 151 12 ILE H H 9.29 0.005 . 85 151 12 ILE HA H 4.79 0.005 . 86 151 12 ILE HB H 1.63 0.010 . 87 151 12 ILE HG12 H 1.35 0.036 . 88 151 12 ILE HG13 H 0.79 0.014 . 89 151 12 ILE HG2 H 0.56 0.012 . 90 151 12 ILE HD1 H 0.48 0.005 . 91 151 12 ILE C C 172.63 0.000 . 92 151 12 ILE CA C 59.63 0.079 . 93 151 12 ILE CB C 41.58 0.020 . 94 151 12 ILE CG2 C 16.00 0.064 . 95 151 12 ILE CD1 C 14.39 0.013 . 96 151 12 ILE N N 126.10 0.053 . 97 152 13 ASP H H 8.25 0.005 . 98 152 13 ASP HA H 4.84 0.026 . 99 152 13 ASP HB2 H 2.64 0.003 . 100 152 13 ASP C C 176.06 0.000 . 101 152 13 ASP CA C 52.74 0.039 . 102 152 13 ASP CB C 42.93 0.095 . 103 152 13 ASP N N 123.19 0.081 . 104 153 14 GLY H H 8.73 0.007 . 105 153 14 GLY HA2 H 3.89 0.011 . 106 153 14 GLY HA3 H 3.89 0.011 . 107 153 14 GLY C C 173.02 0.000 . 108 153 14 GLY CA C 46.62 0.055 . 109 153 14 GLY N N 104.32 0.079 . 110 154 15 SER H H 8.60 0.006 . 111 154 15 SER HA H 4.74 0.010 . 112 154 15 SER HB2 H 3.94 0.010 . 113 154 15 SER HB3 H 3.94 0.010 . 114 154 15 SER C C 174.80 0.000 . 115 154 15 SER CA C 58.82 0.061 . 116 154 15 SER CB C 64.76 0.077 . 117 154 15 SER N N 113.69 0.066 . 118 155 16 GLY H H 7.67 0.004 . 119 155 16 GLY HA2 H 4.53 0.010 . 120 155 16 GLY HA3 H 3.60 0.009 . 121 155 16 GLY C C 182.40 0.000 . 122 155 16 GLY CA C 46.73 0.061 . 123 155 16 GLY N N 111.33 0.088 . 124 156 17 ALA H H 7.99 0.013 . 125 156 17 ALA HA H 5.12 0.008 . 126 156 17 ALA HB H 0.66 0.004 . 127 156 17 ALA C C 174.70 0.000 . 128 156 17 ALA CA C 49.72 0.051 . 129 156 17 ALA CB C 23.95 0.019 . 130 156 17 ALA N N 119.20 0.058 . 131 157 18 LEU H H 8.54 0.012 . 132 157 18 LEU HA H 4.79 0.006 . 133 157 18 LEU HB2 H 1.61 0.005 . 134 157 18 LEU HB3 H 1.12 0.003 . 135 157 18 LEU HD1 H 0.64 0.009 . 136 157 18 LEU HD2 H 0.13 0.003 . 137 157 18 LEU C C 172.79 0.000 . 138 157 18 LEU CA C 54.75 0.064 . 139 157 18 LEU CB C 45.52 0.081 . 140 157 18 LEU CD2 C 23.65 0.040 . 141 157 18 LEU N N 122.37 0.046 . 142 158 19 PHE H H 8.93 0.017 . 143 158 19 PHE HA H 5.45 0.004 . 144 158 19 PHE HB2 H 2.96 0.007 . 145 158 19 PHE HB3 H 2.77 0.007 . 146 158 19 PHE HD1 H 7.25 0.010 . 147 158 19 PHE HD2 H 7.25 0.010 . 148 158 19 PHE HE1 H 7.22 0.004 . 149 158 19 PHE HE2 H 7.22 0.004 . 150 158 19 PHE HZ H 7.48 0.002 . 151 158 19 PHE C C 175.32 0.000 . 152 158 19 PHE CA C 55.29 0.036 . 153 158 19 PHE CB C 41.72 0.045 . 154 158 19 PHE CZ C 128.80 0.000 . 155 158 19 PHE N N 123.53 0.103 . 156 159 20 GLY H H 9.44 0.005 . 157 159 20 GLY HA2 H 5.19 0.007 . 158 159 20 GLY HA3 H 3.53 0.009 . 159 159 20 GLY C C 171.66 0.000 . 160 159 20 GLY CA C 45.45 0.055 . 161 159 20 GLY N N 111.96 0.046 . 162 160 21 THR H H 9.76 0.005 . 163 160 21 THR HA H 6.13 0.006 . 164 160 21 THR HB H 4.31 0.006 . 165 160 21 THR HG2 H 1.40 0.003 . 166 160 21 THR C C 172.76 0.000 . 167 160 21 THR CA C 59.93 0.044 . 168 160 21 THR CB C 73.33 0.018 . 169 160 21 THR N N 109.34 0.063 . 170 161 22 LEU H H 9.09 0.005 . 171 161 22 LEU HA H 5.20 0.009 . 172 161 22 LEU HB2 H 2.04 0.006 . 173 161 22 LEU HB3 H 1.20 0.006 . 174 161 22 LEU HG H 1.59 0.002 . 175 161 22 LEU HD1 H 0.89 0.011 . 176 161 22 LEU HD2 H 0.67 0.003 . 177 161 22 LEU C C 174.71 0.000 . 178 161 22 LEU CA C 53.92 0.066 . 179 161 22 LEU CB C 49.18 0.074 . 180 161 22 LEU CD2 C 23.72 0.019 . 181 161 22 LEU N N 121.40 0.064 . 182 162 23 GLN H H 8.55 0.013 . 183 162 23 GLN HA H 4.94 0.007 . 184 162 23 GLN HB2 H 2.20 0.017 . 185 162 23 GLN HB3 H 1.71 0.006 . 186 162 23 GLN HG2 H 2.21 0.003 . 187 162 23 GLN HG3 H 2.14 0.006 . 188 162 23 GLN HE21 H 7.54 0.007 . 189 162 23 GLN HE22 H 6.90 0.002 . 190 162 23 GLN C C 175.91 0.000 . 191 162 23 GLN CA C 55.27 0.063 . 192 162 23 GLN CB C 30.95 0.052 . 193 162 23 GLN N N 127.37 0.065 . 194 162 23 GLN NE2 N 111.62 0.194 . 195 163 24 GLY H H 9.90 0.003 . 196 163 24 GLY HA2 H 4.04 0.007 . 197 163 24 GLY HA3 H 3.66 0.010 . 198 163 24 GLY C C 173.97 0.000 . 199 163 24 GLY CA C 47.57 0.075 . 200 163 24 GLY N N 120.43 0.061 . 201 164 25 ASN H H 8.89 0.005 . 202 164 25 ASN HA H 4.85 0.035 . 203 164 25 ASN HB2 H 2.89 0.010 . 204 164 25 ASN HB3 H 2.75 0.012 . 205 164 25 ASN HD21 H 7.55 0.003 . 206 164 25 ASN HD22 H 6.90 0.003 . 207 164 25 ASN C C 175.56 0.000 . 208 164 25 ASN CA C 52.85 0.065 . 209 164 25 ASN CB C 39.47 0.062 . 210 164 25 ASN N N 124.32 0.070 . 211 164 25 ASN ND2 N 112.20 0.166 . 212 165 26 THR H H 8.64 0.012 . 213 165 26 THR HA H 4.32 0.007 . 214 165 26 THR HB H 4.44 0.005 . 215 165 26 THR HG2 H 1.22 0.008 . 216 165 26 THR C C 173.59 0.000 . 217 165 26 THR CA C 63.47 0.063 . 218 165 26 THR CB C 69.50 0.055 . 219 165 26 THR N N 118.94 0.066 . 220 166 27 ARG H H 9.03 0.010 . 221 166 27 ARG HA H 5.31 0.014 . 222 166 27 ARG HB2 H 1.68 0.007 . 223 166 27 ARG HB3 H 1.57 0.008 . 224 166 27 ARG HG2 H 1.34 0.000 . 225 166 27 ARG HG3 H 1.34 0.000 . 226 166 27 ARG HD2 H 2.80 0.004 . 227 166 27 ARG HD3 H 2.51 0.002 . 228 166 27 ARG HE H 6.79 0.012 . 229 166 27 ARG C C 175.14 0.000 . 230 166 27 ARG CA C 54.43 0.055 . 231 166 27 ARG CB C 32.16 0.032 . 232 166 27 ARG CD C 43.32 0.042 . 233 166 27 ARG N N 130.92 0.059 . 234 166 27 ARG NE N 84.14 0.023 . 235 167 28 GLU H H 8.96 0.005 . 236 167 28 GLU HA H 4.73 0.007 . 237 167 28 GLU HB2 H 2.02 0.007 . 238 167 28 GLU HB3 H 1.90 0.005 . 239 167 28 GLU C C 174.82 0.000 . 240 167 28 GLU CA C 55.59 0.063 . 241 167 28 GLU CB C 33.32 0.052 . 242 167 28 GLU N N 122.99 0.065 . 243 168 29 VAL H H 9.01 0.005 . 244 168 29 VAL HA H 4.02 0.009 . 245 168 29 VAL HB H 2.13 0.005 . 246 168 29 VAL HG1 H 1.00 0.008 . 247 168 29 VAL HG2 H 0.83 0.010 . 248 168 29 VAL C C 176.25 0.000 . 249 168 29 VAL CA C 63.30 0.086 . 250 168 29 VAL CB C 31.94 0.046 . 251 168 29 VAL CG2 C 21.85 0.000 . 252 168 29 VAL N N 124.61 0.057 . 253 169 30 LEU H H 9.35 0.007 . 254 169 30 LEU HA H 4.39 0.010 . 255 169 30 LEU HB2 H 1.49 0.031 . 256 169 30 LEU HD1 H 0.82 0.006 . 257 169 30 LEU HD2 H 0.82 0.006 . 258 169 30 LEU C C 177.65 0.000 . 259 169 30 LEU CA C 56.23 0.043 . 260 169 30 LEU CB C 44.14 0.036 . 261 169 30 LEU N N 127.63 0.057 . 262 170 31 HIS H H 7.85 0.004 . 263 170 31 HIS HA H 4.89 0.010 . 264 170 31 HIS HB2 H 3.21 0.007 . 265 170 31 HIS HB3 H 2.41 0.002 . 266 170 31 HIS C C 172.02 0.000 . 267 170 31 HIS CA C 56.12 0.081 . 268 170 31 HIS CB C 33.47 0.050 . 269 170 31 HIS N N 114.75 0.058 . 270 171 32 LYS H H 7.63 0.010 . 271 171 32 LYS HA H 5.28 0.006 . 272 171 32 LYS HB2 H 1.75 0.003 . 273 171 32 LYS HB3 H 1.75 0.003 . 274 171 32 LYS HG2 H 1.30 0.005 . 275 171 32 LYS HG3 H 1.30 0.005 . 276 171 32 LYS C C 173.87 0.000 . 277 171 32 LYS CA C 55.20 0.053 . 278 171 32 LYS CB C 35.99 0.030 . 279 171 32 LYS N N 123.72 0.059 . 280 172 33 PHE H H 8.48 0.005 . 281 172 33 PHE HA H 5.06 0.009 . 282 172 33 PHE HB2 H 3.43 0.004 . 283 172 33 PHE HB3 H 3.23 0.002 . 284 172 33 PHE HD1 H 7.37 0.006 . 285 172 33 PHE HD2 H 7.37 0.006 . 286 172 33 PHE HE1 H 7.43 0.002 . 287 172 33 PHE HE2 H 7.43 0.002 . 288 172 33 PHE HZ H 7.14 0.002 . 289 172 33 PHE C C 173.76 0.000 . 290 172 33 PHE CA C 56.72 0.042 . 291 172 33 PHE CB C 41.13 0.026 . 292 172 33 PHE CD1 C 133.66 0.038 . 293 172 33 PHE CD2 C 133.66 0.038 . 294 172 33 PHE CE1 C 130.59 0.000 . 295 172 33 PHE CE2 C 130.59 0.000 . 296 172 33 PHE CZ C 128.93 0.000 . 297 172 33 PHE N N 114.02 0.084 . 298 173 34 THR H H 8.64 0.007 . 299 173 34 THR HA H 5.02 0.005 . 300 173 34 THR HB H 4.37 0.011 . 301 173 34 THR HG2 H 1.24 0.009 . 302 173 34 THR C C 173.56 0.000 . 303 173 34 THR CA C 60.79 0.040 . 304 173 34 THR CB C 71.47 0.035 . 305 173 34 THR N N 113.20 0.061 . 306 174 35 VAL H H 7.84 0.004 . 307 174 35 VAL HA H 4.41 0.010 . 308 174 35 VAL HB H 1.53 0.005 . 309 174 35 VAL HG1 H 0.41 0.010 . 310 174 35 VAL HG2 H 0.07 0.008 . 311 174 35 VAL C C 172.19 0.000 . 312 174 35 VAL CA C 60.26 0.078 . 313 174 35 VAL CB C 35.90 0.019 . 314 174 35 VAL CG1 C 20.62 0.012 . 315 174 35 VAL CG2 C 19.23 0.019 . 316 174 35 VAL N N 119.50 0.083 . 317 175 36 ASP H H 8.20 0.005 . 318 175 36 ASP HA H 4.88 0.007 . 319 175 36 ASP HB2 H 2.66 0.004 . 320 175 36 ASP HB3 H 2.45 0.007 . 321 175 36 ASP C C 175.29 0.000 . 322 175 36 ASP CA C 52.52 0.120 . 323 175 36 ASP CB C 41.43 0.048 . 324 175 36 ASP N N 125.01 0.066 . 325 176 37 LEU H H 8.57 0.006 . 326 176 37 LEU HA H 4.66 0.007 . 327 176 37 LEU HB2 H 1.72 0.007 . 328 176 37 LEU HB3 H 1.44 0.008 . 329 176 37 LEU HG H 1.55 0.007 . 330 176 37 LEU HD1 H 1.02 0.007 . 331 176 37 LEU HD2 H 0.81 0.007 . 332 176 37 LEU CA C 52.21 0.056 . 333 176 37 LEU CB C 41.53 0.073 . 334 176 37 LEU N N 124.48 0.044 . 335 177 38 PRO HA H 4.47 0.005 . 336 177 38 PRO HB2 H 1.82 0.002 . 337 177 38 PRO HB3 H 2.03 0.008 . 338 177 38 PRO HG2 H 2.40 0.000 . 339 177 38 PRO HD2 H 3.85 0.006 . 340 177 38 PRO HD3 H 3.52 0.006 . 341 177 38 PRO C C 176.47 0.000 . 342 177 38 PRO CA C 63.19 0.037 . 343 177 38 PRO CB C 32.36 0.054 . 344 177 38 PRO CD C 50.39 0.035 . 345 178 39 LYS H H 8.60 0.007 . 346 178 39 LYS HA H 4.41 0.007 . 347 178 39 LYS HB2 H 1.84 0.005 . 348 178 39 LYS HB3 H 1.69 0.007 . 349 178 39 LYS CA C 55.90 0.040 . 350 178 39 LYS CB C 33.87 0.045 . 351 178 39 LYS N N 121.85 0.085 . 352 185 46 GLN HA H 4.27 0.004 . 353 185 46 GLN HB2 H 2.13 0.008 . 354 185 46 GLN HB3 H 2.04 0.004 . 355 185 46 GLN HG2 H 2.39 0.002 . 356 185 46 GLN HG3 H 2.40 0.009 . 357 185 46 GLN HE21 H 7.55 0.001 . 358 185 46 GLN HE22 H 6.80 0.003 . 359 185 46 GLN CA C 56.84 0.063 . 360 185 46 GLN CB C 29.35 0.083 . 361 185 46 GLN CG C 33.97 0.059 . 362 185 46 GLN NE2 N 111.58 0.173 . 363 187 48 ALA HA H 4.16 0.013 . 364 187 48 ALA HB H 1.48 0.004 . 365 187 48 ALA C C 179.82 0.000 . 366 187 48 ALA CA C 54.67 0.080 . 367 187 48 ALA CB C 18.75 0.076 . 368 188 49 LEU H H 8.09 0.005 . 369 188 49 LEU HA H 4.19 0.014 . 370 188 49 LEU HB2 H 1.76 0.008 . 371 188 49 LEU HD1 H 0.94 0.003 . 372 188 49 LEU HD2 H 0.89 0.000 . 373 188 49 LEU C C 179.14 0.000 . 374 188 49 LEU CA C 57.63 0.079 . 375 188 49 LEU CB C 41.94 0.083 . 376 188 49 LEU N N 119.81 0.055 . 377 189 50 ARG H H 8.00 0.005 . 378 189 50 ARG HA H 4.07 0.008 . 379 189 50 ARG HB2 H 1.83 0.006 . 380 189 50 ARG HB3 H 1.83 0.006 . 381 189 50 ARG HG2 H 1.58 0.017 . 382 189 50 ARG HG3 H 1.53 0.014 . 383 189 50 ARG HD2 H 3.17 0.009 . 384 189 50 ARG HD3 H 3.17 0.009 . 385 189 50 ARG C C 178.35 0.000 . 386 189 50 ARG CA C 58.72 0.043 . 387 189 50 ARG CB C 29.91 0.022 . 388 189 50 ARG CD C 43.28 0.041 . 389 189 50 ARG N N 119.30 0.087 . 390 190 51 PHE H H 8.16 0.004 . 391 190 51 PHE HA H 4.35 0.012 . 392 190 51 PHE HB2 H 3.12 0.011 . 393 190 51 PHE HB3 H 3.12 0.011 . 394 190 51 PHE HD1 H 7.25 0.007 . 395 190 51 PHE HD2 H 7.25 0.007 . 396 190 51 PHE C C 176.87 0.000 . 397 190 51 PHE CA C 60.62 0.053 . 398 190 51 PHE CB C 38.97 0.067 . 399 190 51 PHE N N 119.03 0.065 . 400 191 52 ALA H H 8.17 0.004 . 401 191 52 ALA HA H 4.01 0.013 . 402 191 52 ALA HB H 1.55 0.005 . 403 191 52 ALA C C 180.27 0.000 . 404 191 52 ALA CA C 55.17 0.052 . 405 191 52 ALA CB C 18.11 0.116 . 406 191 52 ALA N N 121.87 0.077 . 407 192 53 ARG H H 7.94 0.005 . 408 192 53 ARG HA H 4.11 0.008 . 409 192 53 ARG HB2 H 1.93 0.007 . 410 192 53 ARG HB3 H 1.93 0.007 . 411 192 53 ARG C C 178.28 0.000 . 412 192 53 ARG CA C 58.98 0.063 . 413 192 53 ARG CB C 29.92 0.005 . 414 192 53 ARG N N 118.27 0.072 . 415 193 54 LEU H H 7.96 0.004 . 416 193 54 LEU HA H 4.19 0.006 . 417 193 54 LEU HB2 H 1.73 0.020 . 418 193 54 LEU HB3 H 1.73 0.020 . 419 193 54 LEU HD1 H 0.94 0.006 . 420 193 54 LEU HD2 H 0.94 0.006 . 421 193 54 LEU C C 178.94 0.000 . 422 193 54 LEU CA C 57.66 0.103 . 423 193 54 LEU CB C 42.03 0.016 . 424 193 54 LEU N N 121.17 0.057 . 425 194 55 ARG H H 8.32 0.006 . 426 194 55 ARG HA H 3.75 0.011 . 427 194 55 ARG HB2 H 1.55 0.009 . 428 194 55 ARG HB3 H 1.55 0.009 . 429 194 55 ARG HD2 H 3.11 0.000 . 430 194 55 ARG HD3 H 3.11 0.000 . 431 194 55 ARG C C 178.15 0.000 . 432 194 55 ARG CA C 59.99 0.050 . 433 194 55 ARG CB C 29.69 0.113 . 434 194 55 ARG N N 118.68 0.115 . 435 195 56 MET H H 7.88 0.009 . 436 195 56 MET HA H 4.15 0.014 . 437 195 56 MET HB2 H 2.65 0.004 . 438 195 56 MET HB3 H 2.53 0.006 . 439 195 56 MET HG2 H 2.19 0.002 . 440 195 56 MET HG3 H 2.19 0.002 . 441 195 56 MET HE H 2.09 0.005 . 442 195 56 MET C C 178.46 0.000 . 443 195 56 MET CA C 53.23 13.826 . 444 195 56 MET CB C 32.06 0.040 . 445 195 56 MET CE C 16.96 0.000 . 446 195 56 MET N N 118.05 0.106 . 447 196 57 GLU H H 8.36 0.005 . 448 196 57 GLU HA H 4.13 0.009 . 449 196 57 GLU HB2 H 2.17 0.023 . 450 196 57 GLU HB3 H 2.03 0.015 . 451 196 57 GLU C C 179.07 0.000 . 452 196 57 GLU CA C 59.56 0.056 . 453 196 57 GLU CB C 29.81 0.048 . 454 196 57 GLU N N 120.99 0.041 . 455 197 58 LYS H H 8.41 0.007 . 456 197 58 LYS HA H 4.18 0.006 . 457 197 58 LYS HB2 H 1.97 0.000 . 458 197 58 LYS HB3 H 1.82 0.000 . 459 197 58 LYS C C 180.25 0.000 . 460 197 58 LYS CA C 58.90 0.055 . 461 197 58 LYS CB C 32.15 0.014 . 462 197 58 LYS N N 117.56 0.131 . 463 198 59 ARG H H 8.42 0.005 . 464 198 59 ARG HA H 4.21 0.008 . 465 198 59 ARG HB2 H 2.07 0.009 . 466 198 59 ARG C C 177.57 0.000 . 467 198 59 ARG CA C 60.76 0.026 . 468 198 59 ARG CB C 30.71 0.000 . 469 198 59 ARG N N 121.02 0.057 . 470 199 60 HIS H H 8.47 0.025 . 471 199 60 HIS HA H 4.37 0.009 . 472 199 60 HIS HB2 H 3.29 0.017 . 473 199 60 HIS HB3 H 3.29 0.017 . 474 199 60 HIS C C 177.75 0.000 . 475 199 60 HIS CA C 59.93 0.048 . 476 199 60 HIS CB C 30.21 0.130 . 477 199 60 HIS N N 119.38 0.385 . 478 200 61 ASN H H 8.46 0.007 . 479 200 61 ASN HA H 4.38 0.011 . 480 200 61 ASN HB2 H 2.98 0.014 . 481 200 61 ASN HB3 H 2.90 0.010 . 482 200 61 ASN HD21 H 7.72 0.001 . 483 200 61 ASN HD22 H 7.13 0.005 . 484 200 61 ASN C C 177.90 0.000 . 485 200 61 ASN CA C 56.00 0.097 . 486 200 61 ASN CB C 38.23 0.086 . 487 200 61 ASN N N 116.73 0.095 . 488 200 61 ASN ND2 N 111.41 0.047 . 489 201 62 TYR H H 7.96 0.006 . 490 201 62 TYR HA H 4.89 0.004 . 491 201 62 TYR HB2 H 3.51 0.004 . 492 201 62 TYR HB3 H 3.39 0.013 . 493 201 62 TYR HD1 H 7.11 0.007 . 494 201 62 TYR HD2 H 7.11 0.007 . 495 201 62 TYR HE1 H 6.10 0.005 . 496 201 62 TYR HE2 H 6.10 0.005 . 497 201 62 TYR C C 176.44 0.000 . 498 201 62 TYR CA C 58.96 0.051 . 499 201 62 TYR CB C 38.46 0.021 . 500 201 62 TYR CD1 C 132.55 0.001 . 501 201 62 TYR CD2 C 132.55 0.001 . 502 201 62 TYR CE1 C 117.78 0.028 . 503 201 62 TYR CE2 C 117.78 0.028 . 504 201 62 TYR N N 122.32 0.068 . 505 202 63 VAL H H 8.30 0.003 . 506 202 63 VAL HA H 3.03 0.010 . 507 202 63 VAL HB H 2.14 0.008 . 508 202 63 VAL HG1 H 1.08 0.012 . 509 202 63 VAL HG2 H 0.83 0.007 . 510 202 63 VAL C C 177.98 0.000 . 511 202 63 VAL CA C 67.53 0.038 . 512 202 63 VAL CB C 31.16 0.000 . 513 202 63 VAL CG1 C 23.02 0.019 . 514 202 63 VAL CG2 C 21.87 0.018 . 515 202 63 VAL N N 119.25 0.072 . 516 203 64 ARG H H 8.19 0.006 . 517 203 64 ARG HA H 3.92 0.010 . 518 203 64 ARG HB2 H 1.89 0.016 . 519 203 64 ARG HB3 H 1.81 0.008 . 520 203 64 ARG C C 178.33 0.000 . 521 203 64 ARG CA C 59.07 0.093 . 522 203 64 ARG CB C 29.24 0.055 . 523 203 64 ARG N N 117.0 0.064 . 524 204 65 LYS H H 8.04 0.005 . 525 204 65 LYS HA H 4.21 0.006 . 526 204 65 LYS HB2 H 2.26 0.040 . 527 204 65 LYS HB3 H 2.02 0.004 . 528 204 65 LYS C C 181.10 0.000 . 529 204 65 LYS CA C 59.32 0.006 . 530 204 65 LYS CB C 32.15 0.047 . 531 204 65 LYS N N 121.24 0.057 . 532 205 66 VAL H H 8.76 0.005 . 533 205 66 VAL HA H 3.83 0.004 . 534 205 66 VAL HB H 2.33 0.007 . 535 205 66 VAL HG1 H 0.92 0.004 . 536 205 66 VAL HG2 H 0.73 0.007 . 537 205 66 VAL C C 177.28 0.000 . 538 205 66 VAL CA C 68.14 0.022 . 539 205 66 VAL CB C 31.13 0.051 . 540 205 66 VAL CG1 C 21.72 0.054 . 541 205 66 VAL CG2 C 24.01 0.021 . 542 205 66 VAL N N 124.19 0.054 . 543 206 67 ALA H H 8.26 0.007 . 544 206 67 ALA HA H 4.12 0.009 . 545 206 67 ALA HB H 1.44 0.005 . 546 206 67 ALA C C 180.52 0.000 . 547 206 67 ALA CA C 56.29 0.044 . 548 206 67 ALA CB C 18.03 0.087 . 549 206 67 ALA N N 122.70 0.074 . 550 207 68 GLU H H 8.78 0.007 . 551 207 68 GLU HA H 4.04 0.005 . 552 207 68 GLU HB2 H 2.15 0.001 . 553 207 68 GLU HB3 H 2.04 0.001 . 554 207 68 GLU C C 179.94 0.000 . 555 207 68 GLU CA C 59.42 0.049 . 556 207 68 GLU CB C 29.94 0.017 . 557 207 68 GLU N N 118.73 0.060 . 558 208 69 THR H H 8.40 0.004 . 559 208 69 THR HA H 3.67 0.006 . 560 208 69 THR HB H 4.15 0.006 . 561 208 69 THR HG2 H 0.31 0.017 . 562 208 69 THR C C 175.24 0.000 . 563 208 69 THR CA C 66.55 0.063 . 564 208 69 THR CB C 68.13 0.076 . 565 208 69 THR CG2 C 20.68 0.013 . 566 208 69 THR N N 118.08 0.121 . 567 209 70 ALA H H 8.42 0.005 . 568 209 70 ALA HA H 3.92 0.007 . 569 209 70 ALA HB H 1.88 0.005 . 570 209 70 ALA C C 178.72 0.000 . 571 209 70 ALA CA C 55.61 0.042 . 572 209 70 ALA CB C 19.13 0.042 . 573 209 70 ALA N N 122.39 0.128 . 574 210 71 VAL H H 7.41 0.006 . 575 210 71 VAL HA H 3.55 0.005 . 576 210 71 VAL HB H 2.28 0.006 . 577 210 71 VAL HG1 H 1.20 0.005 . 578 210 71 VAL HG2 H 0.93 0.005 . 579 210 71 VAL C C 176.81 0.000 . 580 210 71 VAL CA C 66.69 0.048 . 581 210 71 VAL CB C 31.86 0.027 . 582 210 71 VAL CG1 C 24.56 0.034 . 583 210 71 VAL CG2 C 21.13 0.011 . 584 210 71 VAL N N 117.08 0.056 . 585 211 72 GLN H H 7.24 0.004 . 586 211 72 GLN HA H 3.96 0.006 . 587 211 72 GLN HB2 H 2.10 0.011 . 588 211 72 GLN HB3 H 2.01 0.010 . 589 211 72 GLN HG2 H 2.43 0.004 . 590 211 72 GLN HG3 H 2.28 0.007 . 591 211 72 GLN HE21 H 7.32 0.003 . 592 211 72 GLN HE22 H 6.62 0.003 . 593 211 72 GLN C C 177.92 0.000 . 594 211 72 GLN CA C 58.28 0.053 . 595 211 72 GLN CB C 28.35 0.079 . 596 211 72 GLN CG C 33.54 0.009 . 597 211 72 GLN N N 116.86 0.054 . 598 211 72 GLN NE2 N 110.51 0.200 . 599 212 73 LEU H H 7.56 0.010 . 600 212 73 LEU HA H 4.04 0.006 . 601 212 73 LEU HB2 H 0.71 0.004 . 602 212 73 LEU HB3 H 0.41 0.016 . 603 212 73 LEU HG H 1.30 0.007 . 604 212 73 LEU HD1 H 0.45 0.014 . 605 212 73 LEU HD2 H 0.07 0.005 . 606 212 73 LEU C C 179.39 0.000 . 607 212 73 LEU CA C 55.93 0.052 . 608 212 73 LEU CB C 42.92 0.053 . 609 212 73 LEU CG C 26.02 0.024 . 610 212 73 LEU CD1 C 22.10 0.045 . 611 212 73 LEU CD2 C 27.21 0.038 . 612 212 73 LEU N N 114.06 0.090 . 613 213 74 PHE H H 8.19 0.008 . 614 213 74 PHE HA H 5.51 0.011 . 615 213 74 PHE HB2 H 3.39 0.007 . 616 213 74 PHE HB3 H 2.87 0.008 . 617 213 74 PHE HD1 H 7.41 0.004 . 618 213 74 PHE HD2 H 7.41 0.004 . 619 213 74 PHE HE1 H 7.21 0.004 . 620 213 74 PHE HE2 H 7.21 0.004 . 621 213 74 PHE HZ H 6.64 0.000 . 622 213 74 PHE C C 174.32 0.000 . 623 213 74 PHE CA C 57.49 0.030 . 624 213 74 PHE CB C 39.45 0.070 . 625 213 74 PHE CD1 C 132.06 0.000 . 626 213 74 PHE CD2 C 132.06 0.000 . 627 213 74 PHE N N 114.01 0.087 . 628 214 75 ILE H H 7.37 0.005 . 629 214 75 ILE HA H 4.66 0.008 . 630 214 75 ILE HB H 2.19 0.006 . 631 214 75 ILE HG12 H 1.54 0.005 . 632 214 75 ILE HG13 H 0.98 0.035 . 633 214 75 ILE HG2 H 0.56 0.006 . 634 214 75 ILE HD1 H 0.63 0.028 . 635 214 75 ILE C C 175.73 0.000 . 636 214 75 ILE CA C 60.21 0.054 . 637 214 75 ILE CB C 37.41 0.074 . 638 214 75 ILE CG2 C 16.75 0.076 . 639 214 75 ILE CD1 C 12.63 0.040 . 640 214 75 ILE N N 118.64 0.093 . 641 215 76 SER H H 8.80 0.004 . 642 215 76 SER HA H 4.72 0.023 . 643 215 76 SER HB2 H 3.89 0.009 . 644 215 76 SER HB3 H 3.71 0.008 . 645 215 76 SER CA C 56.88 0.073 . 646 215 76 SER CB C 64.51 0.023 . 647 215 76 SER N N 122.87 0.049 . 648 216 77 GLY HA2 H 3.92 0.022 . 649 216 77 GLY HA3 H 3.65 0.010 . 650 216 77 GLY C C 173.71 0.000 . 651 216 77 GLY CA C 47.62 0.058 . 652 217 78 ASP H H 8.62 0.011 . 653 217 78 ASP HA H 4.39 0.005 . 654 217 78 ASP HB2 H 2.74 0.008 . 655 217 78 ASP HB3 H 2.74 0.008 . 656 217 78 ASP C C 175.20 0.000 . 657 217 78 ASP CA C 54.43 0.056 . 658 217 78 ASP CB C 41.42 0.020 . 659 217 78 ASP N N 120.79 0.082 . 660 218 79 LYS H H 7.70 0.010 . 661 218 79 LYS HA H 4.69 0.007 . 662 218 79 LYS HB2 H 1.80 0.024 . 663 218 79 LYS HB3 H 1.77 0.033 . 664 218 79 LYS HG2 H 1.44 0.005 . 665 218 79 LYS HG3 H 1.44 0.005 . 666 218 79 LYS C C 175.04 0.000 . 667 218 79 LYS CA C 54.71 0.106 . 668 218 79 LYS CB C 35.78 0.060 . 669 218 79 LYS N N 118.91 0.063 . 670 219 80 VAL H H 8.67 0.004 . 671 219 80 VAL HA H 4.63 0.017 . 672 219 80 VAL HB H 2.00 0.010 . 673 219 80 VAL HG1 H 1.08 0.009 . 674 219 80 VAL HG2 H 0.91 0.009 . 675 219 80 VAL C C 177.60 0.000 . 676 219 80 VAL CA C 62.86 0.051 . 677 219 80 VAL CB C 31.69 0.033 . 678 219 80 VAL CG1 C 21.55 0.003 . 679 219 80 VAL CG2 C 22.87 0.009 . 680 219 80 VAL N N 123.82 0.083 . 681 220 81 ASN H H 8.85 0.004 . 682 220 81 ASN HA H 4.62 0.005 . 683 220 81 ASN HB2 H 3.26 0.004 . 684 220 81 ASN HB3 H 2.49 0.004 . 685 220 81 ASN HD21 H 7.23 0.003 . 686 220 81 ASN HD22 H 6.76 0.005 . 687 220 81 ASN C C 174.96 0.000 . 688 220 81 ASN CA C 53.44 0.051 . 689 220 81 ASN CB C 38.88 0.042 . 690 220 81 ASN N N 125.85 0.087 . 691 220 81 ASN ND2 N 108.17 0.031 . 692 221 82 VAL H H 6.97 0.016 . 693 221 82 VAL HA H 4.59 0.006 . 694 221 82 VAL HB H 2.30 0.005 . 695 221 82 VAL HG1 H 0.92 0.005 . 696 221 82 VAL HG2 H 0.37 0.003 . 697 221 82 VAL C C 174.82 0.000 . 698 221 82 VAL CA C 58.68 0.038 . 699 221 82 VAL CB C 36.01 0.008 . 700 221 82 VAL CG1 C 22.60 0.009 . 701 221 82 VAL CG2 C 17.33 0.045 . 702 221 82 VAL N N 108.71 0.070 . 703 222 83 ALA H H 8.98 0.003 . 704 222 83 ALA HA H 4.09 0.009 . 705 222 83 ALA HB H 0.95 0.008 . 706 222 83 ALA C C 177.76 0.000 . 707 222 83 ALA CA C 53.43 0.051 . 708 222 83 ALA CB C 18.74 0.073 . 709 222 83 ALA N N 122.18 0.063 . 710 223 84 GLY H H 7.04 0.004 . 711 223 84 GLY HA2 H 4.33 0.008 . 712 223 84 GLY HA3 H 3.88 0.007 . 713 223 84 GLY C C 181.92 0.000 . 714 223 84 GLY CA C 44.49 0.039 . 715 223 84 GLY N N 98.13 0.108 . 716 224 85 LEU H H 8.58 0.005 . 717 224 85 LEU HA H 5.34 0.007 . 718 224 85 LEU HB2 H 1.13 0.007 . 719 224 85 LEU HB3 H 0.93 0.026 . 720 224 85 LEU HG H 0.96 0.019 . 721 224 85 LEU HD1 H 0.42 0.009 . 722 224 85 LEU HD2 H 0.11 0.003 . 723 224 85 LEU C C 174.84 0.000 . 724 224 85 LEU CA C 53.02 0.063 . 725 224 85 LEU CB C 46.98 0.017 . 726 224 85 LEU CG C 27.52 0.025 . 727 224 85 LEU CD1 C 25.72 0.026 . 728 224 85 LEU CD2 C 24.85 0.020 . 729 224 85 LEU N N 120.73 0.061 . 730 225 86 VAL H H 8.64 0.009 . 731 225 86 VAL HA H 4.27 0.007 . 732 225 86 VAL HB H 0.74 0.019 . 733 225 86 VAL HG1 H 0.65 0.005 . 734 225 86 VAL HG2 H 0.37 0.016 . 735 225 86 VAL C C 174.11 0.000 . 736 225 86 VAL CA C 61.65 0.036 . 737 225 86 VAL CB C 33.23 0.045 . 738 225 86 VAL CG1 C 20.79 0.069 . 739 225 86 VAL CG2 C 20.88 0.000 . 740 225 86 VAL N N 123.39 0.083 . 741 226 87 LEU H H 8.13 0.007 . 742 226 87 LEU HA H 4.92 0.006 . 743 226 87 LEU HB2 H 1.79 0.008 . 744 226 87 LEU HB3 H 1.36 0.009 . 745 226 87 LEU HG H 1.59 0.008 . 746 226 87 LEU HD1 H 0.85 0.030 . 747 226 87 LEU HD2 H 0.65 0.004 . 748 226 87 LEU C C 174.26 0.000 . 749 226 87 LEU CA C 52.87 0.038 . 750 226 87 LEU CB C 44.13 0.057 . 751 226 87 LEU CG C 27.87 0.000 . 752 226 87 LEU CD1 C 25.84 0.000 . 753 226 87 LEU CD2 C 24.66 0.031 . 754 226 87 LEU N N 125.76 0.065 . 755 227 88 ALA H H 9.32 0.013 . 756 227 88 ALA HA H 5.62 0.011 . 757 227 88 ALA HB H 1.29 0.005 . 758 227 88 ALA C C 174.80 0.000 . 759 227 88 ALA CA C 49.70 0.065 . 760 227 88 ALA CB C 23.55 0.089 . 761 227 88 ALA N N 126.48 0.058 . 762 228 89 GLY H H 8.07 0.012 . 763 228 89 GLY HA2 H 5.33 0.030 . 764 228 89 GLY HA3 H 3.79 0.014 . 765 228 89 GLY C C 174.03 0.000 . 766 228 89 GLY CA C 44.73 0.052 . 767 228 89 GLY N N 106.69 0.094 . 768 229 90 SER H H 7.95 0.004 . 769 229 90 SER HA H 5.04 0.008 . 770 229 90 SER HB2 H 4.45 0.013 . 771 229 90 SER HB3 H 3.91 0.014 . 772 229 90 SER C C 176.13 0.000 . 773 229 90 SER CA C 57.69 0.054 . 774 229 90 SER CB C 64.61 0.076 . 775 229 90 SER N N 116.26 0.107 . 776 230 91 ALA H H 8.98 0.007 . 777 230 91 ALA HA H 4.15 0.009 . 778 230 91 ALA HB H 1.53 0.004 . 779 230 91 ALA C C 179.12 0.000 . 780 230 91 ALA CA C 55.46 0.079 . 781 230 91 ALA CB C 18.40 0.044 . 782 230 91 ALA N N 123.40 0.062 . 783 231 92 ASP H H 8.63 0.005 . 784 231 92 ASP HA H 4.44 0.006 . 785 231 92 ASP HB2 H 2.48 0.003 . 786 231 92 ASP HB3 H 2.48 0.003 . 787 231 92 ASP C C 176.48 0.000 . 788 231 92 ASP CA C 55.19 0.059 . 789 231 92 ASP CB C 40.21 0.011 . 790 231 92 ASP N N 114.09 0.061 . 791 232 93 PHE H H 7.90 0.003 . 792 232 93 PHE HA H 4.55 0.014 . 793 232 93 PHE HB2 H 3.22 0.008 . 794 232 93 PHE HB3 H 2.62 0.003 . 795 232 93 PHE HD1 H 7.06 0.015 . 796 232 93 PHE HD2 H 7.06 0.015 . 797 232 93 PHE HE1 H 6.97 0.000 . 798 232 93 PHE HE2 H 6.97 0.000 . 799 232 93 PHE C C 175.64 0.000 . 800 232 93 PHE CA C 60.19 0.018 . 801 232 93 PHE CB C 40.42 0.007 . 802 232 93 PHE N N 116.78 0.077 . 803 233 94 LYS H H 7.80 0.010 . 804 233 94 LYS HA H 3.85 0.006 . 805 233 94 LYS HB2 H 1.94 0.005 . 806 233 94 LYS HB3 H 1.77 0.013 . 807 233 94 LYS C C 178.29 0.000 . 808 233 94 LYS CA C 60.33 0.084 . 809 233 94 LYS CB C 32.43 0.000 . 810 233 94 LYS N N 120.19 0.090 . 811 234 95 THR H H 8.19 0.007 . 812 234 95 THR HA H 3.81 0.013 . 813 234 95 THR HB H 4.08 0.010 . 814 234 95 THR HG2 H 1.14 0.007 . 815 234 95 THR C C 176.67 0.000 . 816 234 95 THR CA C 66.33 0.056 . 817 234 95 THR CB C 68.19 0.056 . 818 234 95 THR CG2 C 21.87 0.107 . 819 234 95 THR N N 115.03 0.057 . 820 235 96 GLU H H 8.44 0.007 . 821 235 96 GLU HA H 3.95 0.013 . 822 235 96 GLU HB2 H 2.38 0.015 . 823 235 96 GLU HB3 H 2.17 0.000 . 824 235 96 GLU C C 178.82 0.000 . 825 235 96 GLU CA C 60.68 0.035 . 826 235 96 GLU CB C 28.98 0.063 . 827 235 96 GLU N N 122.74 0.120 . 828 236 97 LEU H H 8.06 0.008 . 829 236 97 LEU HA H 4.12 0.007 . 830 236 97 LEU HB2 H 1.62 0.010 . 831 236 97 LEU HB3 H 1.60 0.019 . 832 236 97 LEU HG H 1.61 0.006 . 833 236 97 LEU HD1 H 0.78 0.016 . 834 236 97 LEU HD2 H 0.78 0.016 . 835 236 97 LEU C C 176.62 0.000 . 836 236 97 LEU CA C 57.05 0.061 . 837 236 97 LEU CB C 42.33 0.049 . 838 236 97 LEU CD1 C 24.64 0.000 . 839 236 97 LEU CD2 C 24.62 0.000 . 840 236 97 LEU N N 115.72 0.073 . 841 237 98 SER H H 7.46 0.011 . 842 237 98 SER HA H 4.17 0.010 . 843 237 98 SER HB2 H 4.00 0.011 . 844 237 98 SER HB3 H 3.85 0.025 . 845 237 98 SER C C 174.79 0.000 . 846 237 98 SER CA C 59.46 0.061 . 847 237 98 SER CB C 63.73 0.074 . 848 237 98 SER N N 109.34 0.099 . 849 238 99 GLN H H 7.35 0.005 . 850 238 99 GLN HA H 4.33 0.007 . 851 238 99 GLN HB2 H 2.25 0.012 . 852 238 99 GLN HB3 H 2.05 0.009 . 853 238 99 GLN HG2 H 2.57 0.001 . 854 238 99 GLN HG3 H 2.57 0.001 . 855 238 99 GLN HE21 H 7.55 0.001 . 856 238 99 GLN HE22 H 6.82 0.002 . 857 238 99 GLN C C 177.08 0.000 . 858 238 99 GLN CA C 55.85 0.070 . 859 238 99 GLN CB C 29.31 0.063 . 860 238 99 GLN N N 119.79 0.074 . 861 238 99 GLN NE2 N 112.28 0.032 . 862 239 100 SER H H 8.39 0.010 . 863 239 100 SER HA H 4.28 0.006 . 864 239 100 SER HB2 H 4.04 0.008 . 865 239 100 SER HB3 H 3.93 0.013 . 866 239 100 SER C C 174.90 0.000 . 867 239 100 SER CA C 59.98 0.087 . 868 239 100 SER CB C 63.53 0.062 . 869 239 100 SER N N 117.82 0.183 . 870 240 101 ASP H H 8.41 0.015 . 871 240 101 ASP HA H 4.62 0.011 . 872 240 101 ASP HB2 H 2.85 0.007 . 873 240 101 ASP HB3 H 2.60 0.005 . 874 240 101 ASP C C 176.45 0.000 . 875 240 101 ASP CA C 60.82 15.571 . 876 240 101 ASP CB C 39.97 0.075 . 877 240 101 ASP N N 120.78 0.066 . 878 241 102 MET H H 7.61 0.011 . 879 241 102 MET HA H 4.11 0.003 . 880 241 102 MET HB2 H 1.90 0.018 . 881 241 102 MET HB3 H 1.90 0.018 . 882 241 102 MET HG2 H 1.73 0.000 . 883 241 102 MET HG3 H 1.73 0.000 . 884 241 102 MET HE H 1.70 0.003 . 885 241 102 MET C C 175.83 0.000 . 886 241 102 MET CA C 57.63 0.082 . 887 241 102 MET CB C 32.38 0.118 . 888 241 102 MET CE C 17.85 0.038 . 889 241 102 MET N N 118.67 0.085 . 890 242 103 PHE H H 8.14 0.014 . 891 242 103 PHE HA H 4.88 0.008 . 892 242 103 PHE HB2 H 3.18 0.012 . 893 242 103 PHE HB3 H 2.81 0.006 . 894 242 103 PHE HD1 H 7.28 0.006 . 895 242 103 PHE HD2 H 7.28 0.006 . 896 242 103 PHE HE1 H 7.11 0.011 . 897 242 103 PHE HE2 H 7.11 0.011 . 898 242 103 PHE HZ H 6.81 0.008 . 899 242 103 PHE C C 174.86 0.000 . 900 242 103 PHE CA C 56.13 0.050 . 901 242 103 PHE CB C 41.42 0.021 . 902 242 103 PHE CD1 C 131.82 0.020 . 903 242 103 PHE CD2 C 131.82 0.020 . 904 242 103 PHE CE1 C 130.63 0.001 . 905 242 103 PHE CE2 C 130.63 0.001 . 906 242 103 PHE CZ C 128.47 0.001 . 907 242 103 PHE N N 115.08 0.121 . 908 243 104 ASP H H 8.05 0.005 . 909 243 104 ASP HA H 4.35 0.010 . 910 243 104 ASP HB2 H 2.71 0.007 . 911 243 104 ASP HB3 H 2.33 0.007 . 912 243 104 ASP C C 177.60 0.000 . 913 243 104 ASP CA C 54.76 0.059 . 914 243 104 ASP CB C 44.49 0.024 . 915 243 104 ASP N N 121.98 0.067 . 916 244 105 GLN H H 9.33 0.007 . 917 244 105 GLN HA H 4.02 0.004 . 918 244 105 GLN HB2 H 2.18 0.010 . 919 244 105 GLN HB3 H 2.18 0.010 . 920 244 105 GLN HG2 H 2.52 0.001 . 921 244 105 GLN HG3 H 2.52 0.001 . 922 244 105 GLN HE21 H 7.61 0.002 . 923 244 105 GLN HE22 H 6.89 0.002 . 924 244 105 GLN C C 177.69 0.000 . 925 244 105 GLN CA C 59.57 0.047 . 926 244 105 GLN CB C 28.47 0.176 . 927 244 105 GLN CG C 33.54 0.035 . 928 244 105 GLN N N 128.04 0.117 . 929 244 105 GLN NE2 N 111.90 0.189 . 930 245 106 ARG H H 9.31 0.004 . 931 245 106 ARG HA H 4.02 0.006 . 932 245 106 ARG HD2 H 3.39 0.007 . 933 245 106 ARG HD3 H 2.84 0.008 . 934 245 106 ARG HE H 8.13 0.002 . 935 245 106 ARG C C 179.02 0.000 . 936 245 106 ARG CA C 59.02 0.058 . 937 245 106 ARG CB C 30.56 0.000 . 938 245 106 ARG CD C 43.72 0.068 . 939 245 106 ARG N N 118.69 0.053 . 940 245 106 ARG NE N 84.29 0.023 . 941 246 107 LEU H H 7.27 0.010 . 942 246 107 LEU HA H 3.97 0.009 . 943 246 107 LEU HB2 H 1.74 0.010 . 944 246 107 LEU HB3 H 1.74 0.010 . 945 246 107 LEU HG H 1.52 0.006 . 946 246 107 LEU HD1 H 0.88 0.015 . 947 246 107 LEU HD2 H 0.70 0.013 . 948 246 107 LEU C C 178.64 0.000 . 949 246 107 LEU CA C 56.20 0.076 . 950 246 107 LEU CB C 41.63 0.000 . 951 246 107 LEU CD1 C 27.23 0.008 . 952 246 107 LEU N N 113.79 0.076 . 953 247 108 GLN H H 8.34 0.006 . 954 247 108 GLN HA H 3.80 0.013 . 955 247 108 GLN HB2 H 2.13 0.010 . 956 247 108 GLN HB3 H 2.13 0.010 . 957 247 108 GLN HG2 H 2.53 0.001 . 958 247 108 GLN HG3 H 2.40 0.000 . 959 247 108 GLN HE21 H 7.47 0.001 . 960 247 108 GLN HE22 H 6.99 0.001 . 961 247 108 GLN C C 179.20 0.000 . 962 247 108 GLN CA C 59.21 0.068 . 963 247 108 GLN CB C 29.07 0.031 . 964 247 108 GLN N N 119.10 0.129 . 965 247 108 GLN NE2 N 111.06 0.052 . 966 248 109 SER H H 7.85 0.005 . 967 248 109 SER HA H 4.29 0.012 . 968 248 109 SER HB2 H 4.01 0.015 . 969 248 109 SER HB3 H 4.01 0.015 . 970 248 109 SER C C 174.52 0.000 . 971 248 109 SER CA C 60.58 0.044 . 972 248 109 SER CB C 63.60 0.042 . 973 248 109 SER N N 110.11 0.078 . 974 249 110 LYS H H 7.48 0.006 . 975 249 110 LYS HA H 4.54 0.010 . 976 249 110 LYS HB2 H 1.88 0.004 . 977 249 110 LYS HB3 H 1.70 0.016 . 978 249 110 LYS C C 175.68 0.000 . 979 249 110 LYS CA C 54.07 0.039 . 980 249 110 LYS CB C 33.14 0.032 . 981 249 110 LYS N N 118.60 0.099 . 982 250 111 VAL H H 7.28 0.003 . 983 250 111 VAL HA H 3.95 0.012 . 984 250 111 VAL HB H 2.16 0.016 . 985 250 111 VAL HG1 H 0.95 0.003 . 986 250 111 VAL HG2 H 0.78 0.006 . 987 250 111 VAL C C 176.66 0.000 . 988 250 111 VAL CA C 64.18 0.071 . 989 250 111 VAL CB C 31.48 0.087 . 990 250 111 VAL CG1 C 22.60 0.018 . 991 250 111 VAL CG2 C 21.44 0.000 . 992 250 111 VAL N N 121.66 0.029 . 993 251 112 LEU H H 9.60 0.006 . 994 251 112 LEU HA H 4.36 0.004 . 995 251 112 LEU HB2 H 1.37 0.014 . 996 251 112 LEU HB3 H 1.29 0.007 . 997 251 112 LEU HG H 1.73 0.012 . 998 251 112 LEU HD1 H 0.76 0.009 . 999 251 112 LEU HD2 H 0.64 0.005 . 1000 251 112 LEU C C 176.91 0.000 . 1001 251 112 LEU CA C 55.10 0.044 . 1002 251 112 LEU CB C 43.91 0.073 . 1003 251 112 LEU CG C 26.99 0.060 . 1004 251 112 LEU CD1 C 22.25 0.042 . 1005 251 112 LEU CD2 C 26.03 0.019 . 1006 251 112 LEU N N 128.59 0.075 . 1007 252 113 LYS H H 7.09 0.004 . 1008 252 113 LYS HA H 4.29 0.005 . 1009 252 113 LYS HB2 H 1.46 0.008 . 1010 252 113 LYS HB3 H 1.46 0.008 . 1011 252 113 LYS C C 172.06 0.000 . 1012 252 113 LYS CA C 56.10 0.034 . 1013 252 113 LYS CB C 36.84 0.045 . 1014 252 113 LYS N N 115.90 0.081 . 1015 253 114 LEU H H 8.27 0.005 . 1016 253 114 LEU HA H 5.40 0.005 . 1017 253 114 LEU HB2 H 1.49 0.007 . 1018 253 114 LEU HB3 H 1.49 0.007 . 1019 253 114 LEU HG H 1.79 0.000 . 1020 253 114 LEU HD1 H 0.83 0.005 . 1021 253 114 LEU HD2 H 0.83 0.005 . 1022 253 114 LEU C C 176.43 0.000 . 1023 253 114 LEU CA C 53.95 0.053 . 1024 253 114 LEU CB C 43.15 0.054 . 1025 253 114 LEU CD1 C 26.09 0.000 . 1026 253 114 LEU CD2 C 25.31 0.000 . 1027 253 114 LEU N N 126.43 0.042 . 1028 254 115 VAL H H 9.25 0.008 . 1029 254 115 VAL HA H 4.53 0.008 . 1030 254 115 VAL HB H 1.98 0.008 . 1031 254 115 VAL HG1 H 0.82 0.006 . 1032 254 115 VAL HG2 H 0.82 0.006 . 1033 254 115 VAL C C 174.01 0.000 . 1034 254 115 VAL CA C 59.97 0.031 . 1035 254 115 VAL CB C 34.94 0.030 . 1036 254 115 VAL CG1 C 22.61 0.022 . 1037 254 115 VAL CG2 C 21.00 0.011 . 1038 254 115 VAL N N 121.44 0.036 . 1039 255 116 ASP H H 8.39 0.008 . 1040 255 116 ASP HA H 5.07 0.010 . 1041 255 116 ASP HB2 H 2.65 0.012 . 1042 255 116 ASP HB3 H 2.54 0.008 . 1043 255 116 ASP C C 175.08 0.000 . 1044 255 116 ASP CA C 53.96 0.056 . 1045 255 116 ASP CB C 41.70 0.017 . 1046 255 116 ASP N N 125.58 0.045 . 1047 256 117 ILE H H 7.31 0.011 . 1048 256 117 ILE HA H 4.63 0.007 . 1049 256 117 ILE HB H 2.08 0.018 . 1050 256 117 ILE HG2 H 0.82 0.003 . 1051 256 117 ILE HD1 H 0.72 0.008 . 1052 256 117 ILE C C 176.22 0.000 . 1053 256 117 ILE CA C 58.97 0.039 . 1054 256 117 ILE CB C 41.38 0.044 . 1055 256 117 ILE CG2 C 19.76 0.044 . 1056 256 117 ILE CD1 C 14.58 0.022 . 1057 256 117 ILE N N 113.69 0.052 . 1058 257 118 SER H H 9.11 0.008 . 1059 257 118 SER HA H 4.33 0.007 . 1060 257 118 SER HB2 H 3.65 0.010 . 1061 257 118 SER HB3 H 3.47 0.009 . 1062 257 118 SER C C 173.42 0.000 . 1063 257 118 SER CA C 59.52 0.095 . 1064 257 118 SER CB C 63.65 0.065 . 1065 257 118 SER N N 115.97 0.043 . 1066 258 119 TYR H H 7.35 0.003 . 1067 258 119 TYR HA H 4.67 0.005 . 1068 258 119 TYR HB2 H 3.26 0.005 . 1069 258 119 TYR HB3 H 2.64 0.007 . 1070 258 119 TYR HD1 H 7.04 0.006 . 1071 258 119 TYR HD2 H 7.04 0.006 . 1072 258 119 TYR HE1 H 6.75 0.005 . 1073 258 119 TYR HE2 H 6.75 0.005 . 1074 258 119 TYR C C 174.37 0.000 . 1075 258 119 TYR CA C 55.75 0.041 . 1076 258 119 TYR CB C 41.06 0.048 . 1077 258 119 TYR CD1 C 133.89 0.034 . 1078 258 119 TYR CD2 C 133.89 0.034 . 1079 258 119 TYR CE1 C 118.05 0.030 . 1080 258 119 TYR CE2 C 118.05 0.030 . 1081 258 119 TYR N N 117.12 0.044 . 1082 259 120 GLY H H 8.62 0.005 . 1083 259 120 GLY HA2 H 4.09 0.011 . 1084 259 120 GLY HA3 H 3.59 0.006 . 1085 259 120 GLY C C 175.09 0.000 . 1086 259 120 GLY CA C 43.30 0.053 . 1087 259 120 GLY N N 105.80 0.102 . 1088 260 121 GLY H H 8.81 0.005 . 1089 260 121 GLY HA2 H 4.00 0.014 . 1090 260 121 GLY HA3 H 3.44 0.015 . 1091 260 121 GLY C C 173.91 0.000 . 1092 260 121 GLY CA C 45.78 0.059 . 1093 260 121 GLY N N 109.32 0.051 . 1094 261 122 GLU H H 9.24 0.004 . 1095 261 122 GLU HB2 H 2.27 0.000 . 1096 261 122 GLU HB3 H 2.17 0.000 . 1097 261 122 GLU C C 177.61 0.000 . 1098 261 122 GLU CA C 56.32 0.000 . 1099 261 122 GLU CB C 30.83 0.000 . 1100 261 122 GLU N N 124.22 0.011 . 1101 262 123 ASN H H 8.14 0.006 . 1102 262 123 ASN HA H 4.50 0.020 . 1103 262 123 ASN HB2 H 2.75 0.010 . 1104 262 123 ASN HB3 H 2.58 0.015 . 1105 262 123 ASN HD21 H 7.34 0.004 . 1106 262 123 ASN HD22 H 6.86 0.002 . 1107 262 123 ASN C C 178.32 0.000 . 1108 262 123 ASN CA C 56.26 0.086 . 1109 262 123 ASN CB C 37.76 0.096 . 1110 262 123 ASN N N 120.13 0.133 . 1111 262 123 ASN ND2 N 112.29 0.034 . 1112 263 124 GLY H H 7.54 0.005 . 1113 263 124 GLY HA2 H 3.90 0.007 . 1114 263 124 GLY HA3 H 3.78 0.024 . 1115 263 124 GLY C C 174.89 0.000 . 1116 263 124 GLY CA C 48.12 0.082 . 1117 263 124 GLY N N 110.75 0.141 . 1118 264 125 PHE H H 8.42 0.005 . 1119 264 125 PHE HA H 4.38 0.008 . 1120 264 125 PHE HB2 H 3.44 0.009 . 1121 264 125 PHE HB3 H 3.05 0.006 . 1122 264 125 PHE HD1 H 6.82 0.005 . 1123 264 125 PHE HD2 H 6.82 0.005 . 1124 264 125 PHE HE1 H 6.58 0.007 . 1125 264 125 PHE HE2 H 6.58 0.007 . 1126 264 125 PHE HZ H 7.17 0.008 . 1127 264 125 PHE C C 175.98 0.000 . 1128 264 125 PHE CA C 57.57 0.059 . 1129 264 125 PHE CB C 38.80 0.064 . 1130 264 125 PHE CD1 C 130.29 0.035 . 1131 264 125 PHE CD2 C 130.29 0.035 . 1132 264 125 PHE CE1 C 102.93 39.355 . 1133 264 125 PHE CE2 C 102.93 39.355 . 1134 264 125 PHE CZ C 129.34 0.000 . 1135 264 125 PHE N N 122.55 0.061 . 1136 265 126 ASN H H 7.93 0.005 . 1137 265 126 ASN HA H 3.93 0.006 . 1138 265 126 ASN HB2 H 2.77 0.005 . 1139 265 126 ASN HB3 H 2.77 0.005 . 1140 265 126 ASN HD21 H 7.63 0.003 . 1141 265 126 ASN HD22 H 6.89 0.004 . 1142 265 126 ASN C C 177.61 0.000 . 1143 265 126 ASN CA C 56.86 0.104 . 1144 265 126 ASN CB C 38.21 0.018 . 1145 265 126 ASN N N 115.84 0.146 . 1146 265 126 ASN ND2 N 113.27 0.022 . 1147 266 127 GLN H H 8.14 0.003 . 1148 266 127 GLN HA H 4.06 0.009 . 1149 266 127 GLN HB2 H 2.27 0.000 . 1150 266 127 GLN HB3 H 2.17 0.000 . 1151 266 127 GLN HG2 H 2.60 0.001 . 1152 266 127 GLN HG3 H 2.33 0.002 . 1153 266 127 GLN HE21 H 7.43 0.001 . 1154 266 127 GLN HE22 H 6.65 0.001 . 1155 266 127 GLN C C 177.40 0.000 . 1156 266 127 GLN CA C 59.19 0.057 . 1157 266 127 GLN CB C 28.89 0.031 . 1158 266 127 GLN N N 120.06 0.089 . 1159 266 127 GLN NE2 N 109.70 0.058 . 1160 267 128 ALA H H 8.79 0.005 . 1161 267 128 ALA HA H 3.90 0.014 . 1162 267 128 ALA HB H 1.50 0.004 . 1163 267 128 ALA C C 180.23 0.000 . 1164 267 128 ALA CA C 55.34 0.042 . 1165 267 128 ALA CB C 18.49 0.007 . 1166 267 128 ALA N N 120.24 0.126 . 1167 268 129 ILE H H 7.96 0.003 . 1168 268 129 ILE HA H 3.35 0.006 . 1169 268 129 ILE HB H 1.52 0.009 . 1170 268 129 ILE HG12 H 0.77 0.012 . 1171 268 129 ILE HG13 H -0.09 0.007 . 1172 268 129 ILE HG2 H 0.57 0.014 . 1173 268 129 ILE HD1 H -0.34 0.006 . 1174 268 129 ILE C C 178.74 0.000 . 1175 268 129 ILE CA C 66.00 0.037 . 1176 268 129 ILE CB C 38.32 0.032 . 1177 268 129 ILE CG1 C 28.91 0.056 . 1178 268 129 ILE CG2 C 16.79 0.075 . 1179 268 129 ILE CD1 C 13.01 0.026 . 1180 268 129 ILE N N 119.85 0.055 . 1181 269 130 GLU H H 7.71 0.007 . 1182 269 130 GLU HA H 3.92 0.007 . 1183 269 130 GLU HB2 H 2.20 0.012 . 1184 269 130 GLU HB3 H 2.13 0.016 . 1185 269 130 GLU C C 179.70 0.000 . 1186 269 130 GLU CA C 59.67 0.061 . 1187 269 130 GLU CB C 29.34 0.006 . 1188 269 130 GLU N N 120.15 0.067 . 1189 270 131 LEU H H 8.22 0.010 . 1190 270 131 LEU HA H 4.38 0.005 . 1191 270 131 LEU HB2 H 1.77 0.008 . 1192 270 131 LEU HB3 H 1.65 0.004 . 1193 270 131 LEU HG H 1.94 0.004 . 1194 270 131 LEU HD1 H 0.95 0.007 . 1195 270 131 LEU HD2 H 0.90 0.009 . 1196 270 131 LEU C C 178.11 0.000 . 1197 270 131 LEU CA C 56.09 0.031 . 1198 270 131 LEU CB C 42.63 0.408 . 1199 270 131 LEU CG C 26.91 0.000 . 1200 270 131 LEU N N 116.15 0.060 . 1201 271 132 SER H H 7.73 0.012 . 1202 271 132 SER HA H 4.60 0.007 . 1203 271 132 SER HB2 H 3.89 0.010 . 1204 271 132 SER HB3 H 3.66 0.008 . 1205 271 132 SER C C 174.30 0.000 . 1206 271 132 SER CA C 59.01 0.086 . 1207 271 132 SER CB C 64.19 0.049 . 1208 271 132 SER N N 112.53 0.050 . 1209 272 133 THR H H 7.43 0.005 . 1210 272 133 THR HA H 3.77 0.004 . 1211 272 133 THR HB H 4.14 0.007 . 1212 272 133 THR HG2 H 1.25 0.009 . 1213 272 133 THR C C 175.42 0.000 . 1214 272 133 THR CA C 66.78 0.094 . 1215 272 133 THR CB C 69.12 0.045 . 1216 272 133 THR CG2 C 20.92 0.000 . 1217 272 133 THR N N 116.34 0.169 . 1218 273 134 GLU H H 8.80 0.011 . 1219 273 134 GLU HA H 4.13 0.014 . 1220 273 134 GLU HB2 H 2.03 0.008 . 1221 273 134 GLU HB3 H 2.03 0.008 . 1222 273 134 GLU C C 178.49 0.000 . 1223 273 134 GLU CA C 59.60 0.071 . 1224 273 134 GLU CB C 28.99 0.057 . 1225 273 134 GLU N N 119.74 0.045 . 1226 274 135 VAL H H 7.55 0.005 . 1227 274 135 VAL HA H 4.09 0.005 . 1228 274 135 VAL HB H 2.13 0.008 . 1229 274 135 VAL HG1 H 0.91 0.008 . 1230 274 135 VAL HG2 H 0.86 0.005 . 1231 274 135 VAL C C 177.19 0.000 . 1232 274 135 VAL CA C 63.81 0.149 . 1233 274 135 VAL CB C 31.72 0.023 . 1234 274 135 VAL N N 115.91 0.086 . 1235 275 136 LEU H H 7.47 0.012 . 1236 275 136 LEU HA H 3.64 0.018 . 1237 275 136 LEU HB2 H 1.51 0.007 . 1238 275 136 LEU HB3 H 1.04 0.011 . 1239 275 136 LEU HG H 1.28 0.011 . 1240 275 136 LEU HD1 H 0.58 0.010 . 1241 275 136 LEU HD2 H -0.10 0.017 . 1242 275 136 LEU C C 178.57 0.000 . 1243 275 136 LEU CA C 56.64 0.143 . 1244 275 136 LEU CB C 40.19 0.071 . 1245 275 136 LEU CG C 26.37 0.027 . 1246 275 136 LEU CD1 C 25.22 0.029 . 1247 275 136 LEU CD2 C 21.40 0.051 . 1248 275 136 LEU N N 119.75 0.098 . stop_ save_