data_6936 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments for the pKM101 homologue of VirB7 (TraN) in complex with the pKM101 homologue of VirB9 (TraO) ; _BMRB_accession_number 6936 _BMRB_flat_file_name bmr6936.str _Entry_type original _Submission_date 2005-01-13 _Accession_date 2005-01-13 _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 Harris Richard . . 2 Bayliss Richard . . 3 Waksman Gabriel . . 4 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 864 "13C chemical shifts" 634 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-04-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance Assignments of the Complex between TraN and the C-terminal Domain of TraO from the Conjugative Plasmid pKM101 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16601857 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harris Richard . . 2 Bayliss Richard . . 3 Waksman Gabriel . . 4 Driscoll Paul C. . 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 31 _Page_last 31 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VirB7/VirB9 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VirB7 $VirB7 VirB9 $VirB9 stop_ _System_molecular_weight 17832 _System_physical_state native _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details ; Complex between the homologues from pKM101 of VirB7 (TraN) and the C-terminal domain of VirB9 (TraO) ; save_ ######################## # Monomeric polymers # ######################## save_VirB7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VirB7 _Molecular_mass 3772 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GAMASGHKPPPEPDWSNTVP VNKTIPVDTQGGRNES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 GLY 2 14 ALA 3 15 MET 4 16 ALA 5 17 SER 6 18 GLY 7 19 HIS 8 20 LYS 9 21 PRO 10 22 PRO 11 23 PRO 12 24 GLU 13 25 PRO 14 26 ASP 15 27 TRP 16 28 SER 17 29 ASN 18 30 THR 19 31 VAL 20 32 PRO 21 33 VAL 22 34 ASN 23 35 LYS 24 36 THR 25 37 ILE 26 38 PRO 27 39 VAL 28 40 ASP 29 41 THR 30 42 GLN 31 43 GLY 32 44 GLY 33 45 ARG 34 46 ASN 35 47 GLU 36 48 SER 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 PDB 2OFQ "Nmr Solution Structure Of A Complex Between The Virb9VIRB7 Interaction Domains Of The Pkm101 Type Iv Secretion System" 75.40 95 100.00 100.00 1.40e-62 PDB 3ZBI "Fitting Result In The O-layer Of The Subnanometer Structure Of The Bacterial Pkm101 Type Iv Secretion System Core Complex Diges" 92.86 130 97.44 97.44 5.71e-77 DBJ BAF38206 "TraO [Photobacterium damselae subsp. piscicida]" 96.03 294 98.35 98.35 7.98e-80 DBJ BAF93109 "TraO protein [Salmonella enterica subsp. enterica serovar Dublin]" 96.03 294 98.35 98.35 9.70e-80 DBJ BAM29017 "TraO [Klebsiella pneumoniae]" 96.03 294 98.35 98.35 7.98e-80 EMBL CCA62524 "conjugal transfer protein [Escherichia coli]" 96.03 294 98.35 98.35 7.98e-80 EMBL CCE73953 "TraO protein [Escherichia coli]" 96.03 294 98.35 98.35 9.70e-80 EMBL CCN79904 "conjugal transfer protein TraO [Escherichia coli]" 96.03 294 98.35 98.35 7.98e-80 EMBL CDF32038 "Conjugal transfer protein TraO [Klebsiella pneumoniae]" 96.03 294 98.35 98.35 7.98e-80 EMBL CDK67343 "Forms the bulk of type IV secretion complex that spans outer membrane and periplasm (VirB9) [Klebsiella pneumoniae IS10]" 96.03 294 98.35 98.35 7.98e-80 GB AAA86458 "traO [Escherichia coli]" 96.03 294 97.52 97.52 5.69e-79 GB AAL13392 "TraO [Salmonella enterica subsp. enterica serovar Typhimurium]" 96.03 294 97.52 97.52 5.69e-79 GB ABG33818 "TraO [Escherichia coli]" 96.03 294 98.35 98.35 9.70e-80 GB ABG49204 "hypothetical protein [Escherichia coli]" 96.03 294 98.35 98.35 9.70e-80 GB ABO42055 "type IV conjugative transfer system protein [Yersinia pestis biovar Orientalis str. IP275]" 96.03 294 98.35 98.35 7.98e-80 REF NP_511196 "TraO [Salmonella enterica subsp. enterica serovar Typhimurium]" 96.03 294 97.52 97.52 5.69e-79 REF WP_000735066 "MULTISPECIES: conjugal transfer protein TraO [Gammaproteobacteria]" 96.03 294 98.35 98.35 7.98e-80 REF WP_000735067 "MULTISPECIES: conjugal transfer protein TraO [Enterobacteriaceae]" 96.03 294 98.35 98.35 9.70e-80 REF WP_010999963 "MULTISPECIES: TraO [Enterobacteriaceae]" 96.03 294 97.52 97.52 5.69e-79 REF WP_013279390 "type IV conjugative transfer system protein [Escherichia coli]" 96.03 306 98.35 98.35 1.10e-79 stop_ save_ save_VirB9 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VirB9 _Molecular_mass 14060 _Mol_thiol_state 'not present' _Details . _Residue_count 126 _Mol_residue_sequence ; GIDPFTHMAGAKNYQYVMSE QPEMRSIQPVHVWDNYRFTR FEFPANAELPQVYMISASGK ETLPNSHVVGENRNIIEVET VAKEWRIRLGDKVVGVRNNN FAPGAGAVATGTASPDVRRV QIGEDN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 169 GLY 2 170 ILE 3 171 ASP 4 172 PRO 5 173 PHE 6 174 THR 7 175 HIS 8 176 MET 9 177 ALA 10 178 GLY 11 179 ALA 12 180 LYS 13 181 ASN 14 182 TYR 15 183 GLN 16 184 TYR 17 185 VAL 18 186 MET 19 187 SER 20 188 GLU 21 189 GLN 22 190 PRO 23 191 GLU 24 192 MET 25 193 ARG 26 194 SER 27 195 ILE 28 196 GLN 29 197 PRO 30 198 VAL 31 199 HIS 32 200 VAL 33 201 TRP 34 202 ASP 35 203 ASN 36 204 TYR 37 205 ARG 38 206 PHE 39 207 THR 40 208 ARG 41 209 PHE 42 210 GLU 43 211 PHE 44 212 PRO 45 213 ALA 46 214 ASN 47 215 ALA 48 216 GLU 49 217 LEU 50 218 PRO 51 219 GLN 52 220 VAL 53 221 TYR 54 222 MET 55 223 ILE 56 224 SER 57 225 ALA 58 226 SER 59 227 GLY 60 228 LYS 61 229 GLU 62 230 THR 63 231 LEU 64 232 PRO 65 233 ASN 66 234 SER 67 235 HIS 68 236 VAL 69 237 VAL 70 238 GLY 71 239 GLU 72 240 ASN 73 241 ARG 74 242 ASN 75 243 ILE 76 244 ILE 77 245 GLU 78 246 VAL 79 247 GLU 80 248 THR 81 249 VAL 82 250 ALA 83 251 LYS 84 252 GLU 85 253 TRP 86 254 ARG 87 255 ILE 88 256 ARG 89 257 LEU 90 258 GLY 91 259 ASP 92 260 LYS 93 261 VAL 94 262 VAL 95 263 GLY 96 264 VAL 97 265 ARG 98 266 ASN 99 267 ASN 100 268 ASN 101 269 PHE 102 270 ALA 103 271 PRO 104 272 GLY 105 273 ALA 106 274 GLY 107 275 ALA 108 276 VAL 109 277 ALA 110 278 THR 111 279 GLY 112 280 THR 113 281 ALA 114 282 SER 115 283 PRO 116 284 ASP 117 285 VAL 118 286 ARG 119 287 ARG 120 288 VAL 121 289 GLN 122 290 ILE 123 291 GLY 124 292 GLU 125 293 ASP 126 294 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VirB7 'E. coli' 562 Bacteria . Escherichia coli $VirB9 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $VirB7 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 . $VirB9 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Complex between VirB7 and the C-terminal domain of VirB9 of the homologues of pKM101' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VirB7 1 mM [U-15N] $VirB9 1 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Complex between VirB7 and the C-terminal domain of VirB9 of the homologues of pKM101' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VirB7 1 mM '[U-13C; U-15N]' $VirB9 1 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Complex between VirB7 and the C-terminal domain of VirB9 of the homologues of pKM101' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VirB7 1 mM . $VirB9 1 mM [U-15N] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'Complex between VirB7 and the C-terminal domain of VirB9 of the homologues of pKM101' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VirB7 1 mM . $VirB9 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _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_13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 13C HSQC' _Sample_label . save_ save_1H_13C_CT-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 13C CT-HSQC' _Sample_label . save_ save_1H_15N_TOCSY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 15N TOCSY-HSQC' _Sample_label . save_ save_1H_15N_NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 15N NOESY-HSQC' _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HA(CA)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CA)NH _Sample_label . save_ save_HA(CACO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CACO)NH _Sample_label . save_ save_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_1H_13C_NOESY-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 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 6.7 0.1 pH temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name VirB7 _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 17 5 SER H H 8.322 0.02 1 2 17 5 SER HA H 4.375 0.02 1 3 17 5 SER HB2 H 3.826 0.02 1 4 17 5 SER HB3 H 3.826 0.02 1 5 17 5 SER C C 175.149 0.4 1 6 17 5 SER CA C 58.437 0.4 1 7 17 5 SER CB C 63.731 0.4 1 8 17 5 SER N N 115.316 0.1 1 9 18 6 GLY H H 8.384 0.02 1 10 18 6 GLY HA2 H 3.91 0.02 1 11 18 6 GLY HA3 H 3.91 0.02 1 12 18 6 GLY C C 173.801 0.4 1 13 18 6 GLY CA C 45.242 0.4 1 14 18 6 GLY N N 110.65 0.1 1 15 19 7 HIS H H 8.161 0.02 1 16 19 7 HIS HA H 4.552 0.02 1 17 19 7 HIS HB2 H 3.018 0.02 1 18 19 7 HIS HB3 H 3.018 0.02 1 19 19 7 HIS HD2 H 6.983 0.02 1 20 19 7 HIS HE1 H 7.944 0.02 1 21 19 7 HIS C C 174.828 0.4 1 22 19 7 HIS CA C 56.154 0.4 1 23 19 7 HIS CB C 30.991 0.4 1 24 19 7 HIS CD2 C 120.194 0.4 1 25 19 7 HIS CE1 C 138.202 0.4 1 26 19 7 HIS N N 119.434 0.1 1 27 20 8 LYS H H 8.241 0.02 1 28 20 8 LYS HA H 4.551 0.02 1 29 20 8 LYS HB2 H 1.614 0.02 2 30 20 8 LYS HB3 H 1.722 0.02 2 31 20 8 LYS HG2 H 1.351 0.02 1 32 20 8 LYS HG3 H 1.351 0.02 1 33 20 8 LYS HD2 H 1.626 0.02 1 34 20 8 LYS HD3 H 1.626 0.02 1 35 20 8 LYS HE2 H 2.932 0.02 1 36 20 8 LYS HE3 H 2.932 0.02 1 37 20 8 LYS C C 173.713 0.4 1 38 20 8 LYS CA C 53.952 0.4 1 39 20 8 LYS CB C 32.751 0.4 1 40 20 8 LYS CG C 24.434 0.4 1 41 20 8 LYS CD C 29.145 0.4 1 42 20 8 LYS CE C 41.902 0.4 1 43 20 8 LYS N N 124.853 0.1 1 44 21 9 PRO HB2 H 1.832 0.02 2 45 21 9 PRO HB3 H 2.28 0.02 2 46 21 9 PRO HG2 H 1.975 0.02 1 47 21 9 PRO HG3 H 1.975 0.02 1 48 21 9 PRO HD2 H 3.554 0.02 2 49 21 9 PRO HD3 H 3.722 0.02 2 50 21 9 PRO CB C 30.717 0.4 1 51 21 9 PRO CG C 27.367 0.4 1 52 21 9 PRO CD C 50.591 0.4 1 53 22 10 PRO HB2 H 1.676 0.02 2 54 22 10 PRO HB3 H 2.142 0.02 2 55 22 10 PRO HG2 H 1.848 0.02 1 56 22 10 PRO HG3 H 1.848 0.02 1 57 22 10 PRO HD2 H 3.498 0.02 2 58 22 10 PRO HD3 H 3.741 0.02 2 59 22 10 PRO CB C 30.387 0.4 1 60 22 10 PRO CG C 27.422 0.4 1 61 22 10 PRO CD C 50.408 0.4 1 62 23 11 PRO HA H 4.366 0.02 1 63 23 11 PRO HB2 H 1.615 0.02 2 64 23 11 PRO HB3 H 2.218 0.02 2 65 23 11 PRO HG2 H 1.725 0.02 2 66 23 11 PRO HG3 H 1.982 0.02 2 67 23 11 PRO HD2 H 3.501 0.02 2 68 23 11 PRO HD3 H 3.72 0.02 2 69 23 11 PRO C C 176.526 0.4 1 70 23 11 PRO CA C 62.798 0.4 1 71 23 11 PRO CB C 32.285 0.4 1 72 23 11 PRO CG C 27.44 0.4 1 73 23 11 PRO CD C 50.487 0.4 1 74 24 12 GLU H H 8.542 0.02 1 75 24 12 GLU HA H 4.839 0.02 1 76 24 12 GLU HB2 H 1.769 0.02 2 77 24 12 GLU HB3 H 2.09 0.02 2 78 24 12 GLU HG2 H 2.19 0.02 2 79 24 12 GLU HG3 H 2.357 0.02 2 80 24 12 GLU C C 174.802 0.4 1 81 24 12 GLU CA C 52.488 0.4 1 82 24 12 GLU CB C 31.052 0.4 1 83 24 12 GLU CG C 35.968 0.4 1 84 24 12 GLU N N 121.099 0.1 1 85 25 13 PRO HA H 4.191 0.02 1 86 25 13 PRO HB2 H 1.044 0.02 2 87 25 13 PRO HB3 H 1.619 0.02 2 88 25 13 PRO HG2 H 1.348 0.02 2 89 25 13 PRO HG3 H 1.741 0.02 2 90 25 13 PRO HD2 H 3.306 0.02 2 91 25 13 PRO HD3 H 3.818 0.02 2 92 25 13 PRO C C 173.76 0.4 1 93 25 13 PRO CA C 61.935 0.4 1 94 25 13 PRO CB C 31.743 0.4 1 95 25 13 PRO CG C 26.262 0.4 1 96 25 13 PRO CD C 49.488 0.4 1 97 26 14 ASP H H 7.535 0.02 1 98 26 14 ASP HA H 4.717 0.02 1 99 26 14 ASP HB2 H 2.431 0.02 2 100 26 14 ASP HB3 H 2.611 0.02 2 101 26 14 ASP C C 176.849 0.4 1 102 26 14 ASP CA C 52.264 0.4 1 103 26 14 ASP CB C 42.131 0.4 1 104 26 14 ASP N N 119.405 0.1 1 105 27 15 TRP H H 8.793 0.02 1 106 27 15 TRP HA H 4.249 0.02 1 107 27 15 TRP HB2 H 2.821 0.02 2 108 27 15 TRP HB3 H 3.608 0.02 2 109 27 15 TRP HD1 H 7.231 0.02 1 110 27 15 TRP HE3 H 7.937 0.02 1 111 27 15 TRP HZ2 H 7.345 0.02 1 112 27 15 TRP HZ3 H 6.622 0.02 1 113 27 15 TRP HH2 H 6.852 0.02 1 114 27 15 TRP C C 176.898 0.4 1 115 27 15 TRP CA C 56.85 0.4 1 116 27 15 TRP CB C 28.895 0.4 1 117 27 15 TRP CD1 C 128.838 0.4 1 118 27 15 TRP CE3 C 121.548 0.4 1 119 27 15 TRP CZ2 C 113.603 0.4 1 120 27 15 TRP CZ3 C 121.498 0.4 1 121 27 15 TRP CH2 C 123.702 0.4 1 122 27 15 TRP N N 126.337 0.1 1 123 28 16 SER H H 8.989 0.02 1 124 28 16 SER HA H 4.031 0.02 1 125 28 16 SER HB2 H 3.839 0.02 1 126 28 16 SER HB3 H 3.839 0.02 1 127 28 16 SER C C 174.667 0.4 1 128 28 16 SER CA C 63.53 0.4 1 129 28 16 SER CB C 62.559 0.4 1 130 28 16 SER N N 119.5 0.1 1 131 29 17 ASN H H 8.595 0.02 1 132 29 17 ASN HA H 5.124 0.02 1 133 29 17 ASN HB2 H 2.845 0.02 2 134 29 17 ASN HB3 H 3.001 0.02 2 135 29 17 ASN HD21 H 6.822 0.02 2 136 29 17 ASN HD22 H 7.581 0.02 2 137 29 17 ASN C C 173.739 0.4 1 138 29 17 ASN CA C 52.324 0.4 1 139 29 17 ASN CB C 39.301 0.4 1 140 29 17 ASN N N 119.066 0.1 1 141 29 17 ASN ND2 N 112.269 0.1 1 142 30 18 THR H H 8.5 0.02 1 143 30 18 THR HA H 5.138 0.02 1 144 30 18 THR HB H 4.098 0.02 1 145 30 18 THR HG2 H 1.275 0.02 1 146 30 18 THR C C 174.524 0.4 1 147 30 18 THR CA C 62.239 0.4 1 148 30 18 THR CB C 71.233 0.4 1 149 30 18 THR CG2 C 21.342 0.4 1 150 30 18 THR N N 121.11 0.1 1 151 31 19 VAL H H 9.201 0.02 1 152 31 19 VAL HA H 5.127 0.02 1 153 31 19 VAL HB H 2.266 0.02 1 154 31 19 VAL HG1 H 0.769 0.02 2 155 31 19 VAL HG2 H 0.863 0.02 2 156 31 19 VAL C C 173.056 0.4 1 157 31 19 VAL CA C 57.561 0.4 1 158 31 19 VAL CB C 34.117 0.4 1 159 31 19 VAL CG1 C 18.867 0.4 2 160 31 19 VAL CG2 C 21.364 0.4 2 161 31 19 VAL N N 119.203 0.1 1 162 32 20 PRO HA H 4.788 0.02 1 163 32 20 PRO HB2 H 1.819 0.02 2 164 32 20 PRO HB3 H 2.507 0.02 2 165 32 20 PRO HG2 H 2.044 0.02 2 166 32 20 PRO HG3 H 2.132 0.02 2 167 32 20 PRO HD2 H 3.76 0.02 2 168 32 20 PRO HD3 H 3.887 0.02 2 169 32 20 PRO C C 177.242 0.4 1 170 32 20 PRO CA C 63.016 0.4 1 171 32 20 PRO CB C 32.348 0.4 1 172 32 20 PRO CG C 27.997 0.4 1 173 32 20 PRO CD C 50.893 0.4 1 174 33 21 VAL H H 8.096 0.02 1 175 33 21 VAL HA H 3.648 0.02 1 176 33 21 VAL HB H 1.735 0.02 1 177 33 21 VAL HG1 H 0.74 0.02 2 178 33 21 VAL HG2 H 0.923 0.02 2 179 33 21 VAL C C 175.719 0.4 1 180 33 21 VAL CA C 65.416 0.4 1 181 33 21 VAL CB C 33.735 0.4 1 182 33 21 VAL CG1 C 21.92 0.4 2 183 33 21 VAL CG2 C 22.255 0.4 2 184 33 21 VAL N N 121.649 0.1 1 185 34 22 ASN H H 9.112 0.02 1 186 34 22 ASN HA H 5.069 0.02 1 187 34 22 ASN HB2 H 2.887 0.02 2 188 34 22 ASN HB3 H 3.132 0.02 2 189 34 22 ASN HD21 H 8.536 0.02 2 190 34 22 ASN HD22 H 9.05 0.02 2 191 34 22 ASN C C 174.932 0.4 1 192 34 22 ASN CA C 53.331 0.4 1 193 34 22 ASN CB C 38.25 0.4 1 194 34 22 ASN N N 114.315 0.1 1 195 34 22 ASN ND2 N 117.961 0.1 1 196 35 23 LYS H H 9.127 0.02 1 197 35 23 LYS HA H 4.033 0.02 1 198 35 23 LYS HB2 H 1.819 0.02 2 199 35 23 LYS HB3 H 1.935 0.02 2 200 35 23 LYS HG2 H 1.534 0.02 1 201 35 23 LYS HG3 H 1.534 0.02 1 202 35 23 LYS HD2 H 1.647 0.02 1 203 35 23 LYS HD3 H 1.647 0.02 1 204 35 23 LYS HE2 H 3.01 0.02 1 205 35 23 LYS HE3 H 3.01 0.02 1 206 35 23 LYS C C 178.079 0.4 1 207 35 23 LYS CA C 58.834 0.4 1 208 35 23 LYS CB C 32.142 0.4 1 209 35 23 LYS CG C 26.066 0.4 1 210 35 23 LYS CD C 28.729 0.4 1 211 35 23 LYS CE C 42.287 0.4 1 212 35 23 LYS N N 127.21 0.1 1 213 36 24 THR H H 7.707 0.02 1 214 36 24 THR HA H 4.327 0.02 1 215 36 24 THR HB H 4.145 0.02 1 216 36 24 THR HG2 H 1.112 0.02 1 217 36 24 THR C C 173.145 0.4 1 218 36 24 THR CA C 58.929 0.4 1 219 36 24 THR CB C 71.864 0.4 1 220 36 24 THR CG2 C 22.008 0.4 1 221 36 24 THR N N 106.49 0.1 1 222 37 25 ILE H H 8.212 0.02 1 223 37 25 ILE HA H 3.912 0.02 1 224 37 25 ILE HB H 1.45 0.02 1 225 37 25 ILE HG12 H 0.905 0.02 2 226 37 25 ILE HG13 H 1.154 0.02 2 227 37 25 ILE HG2 H 0.223 0.02 1 228 37 25 ILE HD1 H 0.458 0.02 1 229 37 25 ILE C C 174.697 0.4 1 230 37 25 ILE CA C 57.127 0.4 1 231 37 25 ILE CB C 37.847 0.4 1 232 37 25 ILE CG1 C 26.925 0.4 1 233 37 25 ILE CG2 C 15.981 0.4 1 234 37 25 ILE CD1 C 11.121 0.4 1 235 37 25 ILE N N 121.481 0.1 1 236 38 26 PRO HA H 3.556 0.02 1 237 38 26 PRO HB2 H 0.884 0.02 2 238 38 26 PRO HB3 H 0.951 0.02 2 239 38 26 PRO HG2 H 0.73 0.02 2 240 38 26 PRO HG3 H 1.011 0.02 2 241 38 26 PRO HD2 H 2.832 0.02 2 242 38 26 PRO HD3 H 2.95 0.02 2 243 38 26 PRO C C 175.679 0.4 1 244 38 26 PRO CA C 62.142 0.4 1 245 38 26 PRO CB C 31.039 0.4 1 246 38 26 PRO CG C 26.338 0.4 1 247 38 26 PRO CD C 49.921 0.4 1 248 39 27 VAL H H 7.94 0.02 1 249 39 27 VAL HA H 3.842 0.02 1 250 39 27 VAL HB H 1.9 0.02 1 251 39 27 VAL HG1 H 0.805 0.02 2 252 39 27 VAL HG2 H 0.814 0.02 2 253 39 27 VAL C C 175.854 0.4 1 254 39 27 VAL CA C 61.873 0.4 1 255 39 27 VAL CB C 32.905 0.4 1 256 39 27 VAL CG1 C 20.576 0.4 2 257 39 27 VAL CG2 C 21.219 0.4 2 258 39 27 VAL N N 120.754 0.1 1 259 40 28 ASP H H 8.405 0.02 1 260 40 28 ASP HA H 4.662 0.02 1 261 40 28 ASP HB2 H 2.538 0.02 2 262 40 28 ASP HB3 H 2.682 0.02 2 263 40 28 ASP C C 176.513 0.4 1 264 40 28 ASP CA C 54.113 0.4 1 265 40 28 ASP CB C 41.642 0.4 1 266 40 28 ASP N N 124.944 0.1 1 267 41 29 THR H H 8.107 0.02 1 268 41 29 THR HA H 4.276 0.02 1 269 41 29 THR HB H 4.236 0.02 1 270 41 29 THR HG2 H 1.112 0.02 1 271 41 29 THR C C 174.91 0.4 1 272 41 29 THR CA C 61.758 0.4 1 273 41 29 THR CB C 69.534 0.4 1 274 41 29 THR CG2 C 21.754 0.4 1 275 41 29 THR N N 114.484 0.1 1 276 42 30 GLN H H 8.453 0.02 1 277 42 30 GLN HA H 4.316 0.02 1 278 42 30 GLN HB2 H 1.99 0.02 2 279 42 30 GLN HB3 H 2.126 0.02 2 280 42 30 GLN HG2 H 2.317 0.02 1 281 42 30 GLN HG3 H 2.317 0.02 1 282 42 30 GLN HE21 H 6.845 0.02 2 283 42 30 GLN HE22 H 7.579 0.02 2 284 42 30 GLN C C 176.647 0.4 1 285 42 30 GLN CA C 56.122 0.4 1 286 42 30 GLN CB C 29.433 0.4 1 287 42 30 GLN CG C 33.909 0.4 1 288 42 30 GLN N N 122.267 0.1 1 289 42 30 GLN NE2 N 112.626 0.1 1 290 43 31 GLY H H 8.455 0.02 1 291 43 31 GLY HA2 H 3.934 0.02 1 292 43 31 GLY HA3 H 3.934 0.02 1 293 43 31 GLY C C 174.724 0.4 1 294 43 31 GLY CA C 45.393 0.4 1 295 43 31 GLY N N 109.977 0.1 1 296 44 32 GLY H H 8.323 0.02 1 297 44 32 GLY HA2 H 3.936 0.02 1 298 44 32 GLY HA3 H 3.936 0.02 1 299 44 32 GLY C C 174.207 0.4 1 300 44 32 GLY CA C 45.206 0.4 1 301 44 32 GLY N N 108.834 0.1 1 302 45 33 ARG H H 8.232 0.02 1 303 45 33 ARG HA H 4.308 0.02 1 304 45 33 ARG HB2 H 1.726 0.02 2 305 45 33 ARG HB3 H 1.826 0.02 2 306 45 33 ARG HG2 H 1.565 0.02 1 307 45 33 ARG HG3 H 1.565 0.02 1 308 45 33 ARG HD2 H 3.135 0.02 1 309 45 33 ARG HD3 H 3.135 0.02 1 310 45 33 ARG C C 176.137 0.4 1 311 45 33 ARG CA C 56.059 0.4 1 312 45 33 ARG CB C 30.881 0.4 1 313 45 33 ARG CG C 27.187 0.4 1 314 45 33 ARG CD C 43.235 0.4 1 315 45 33 ARG N N 120.378 0.1 1 316 46 34 ASN H H 8.601 0.02 1 317 46 34 ASN HA H 4.69 0.02 1 318 46 34 ASN HB2 H 2.696 0.02 2 319 46 34 ASN HB3 H 2.821 0.02 2 320 46 34 ASN HD21 H 6.91 0.02 2 321 46 34 ASN HD22 H 7.605 0.02 2 322 46 34 ASN C C 175.048 0.4 1 323 46 34 ASN CA C 53.36 0.4 1 324 46 34 ASN CB C 38.905 0.4 1 325 46 34 ASN N N 120.215 0.1 1 326 46 34 ASN ND2 N 113.185 0.1 1 327 47 35 GLU H H 8.385 0.02 1 328 47 35 GLU HA H 4.338 0.02 1 329 47 35 GLU HB2 H 1.882 0.02 2 330 47 35 GLU HB3 H 2.099 0.02 2 331 47 35 GLU HG2 H 2.218 0.02 1 332 47 35 GLU HG3 H 2.218 0.02 1 333 47 35 GLU C C 175.639 0.4 1 334 47 35 GLU CA C 56.536 0.4 1 335 47 35 GLU CB C 30.565 0.4 1 336 47 35 GLU CG C 36.36 0.4 1 337 47 35 GLU N N 121.609 0.1 1 338 48 36 SER H H 7.987 0.02 1 339 48 36 SER HA H 4.223 0.02 1 340 48 36 SER HB2 H 3.81 0.02 1 341 48 36 SER HB3 H 3.81 0.02 1 342 48 36 SER C C 178.675 0.4 1 343 48 36 SER CA C 60.034 0.4 1 344 48 36 SER CB C 64.82 0.4 1 345 48 36 SER N N 122.162 0.1 1 stop_ save_ save_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name VirB9 _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 1 177 9 ALA HA H 4.369 0.02 1 2 177 9 ALA HB H 1.367 0.02 1 3 177 9 ALA C C 175.22 0.4 1 4 177 9 ALA CA C 52.573 0.4 1 5 177 9 ALA CB C 19.284 0.4 1 6 178 10 GLY HA2 H 3.842 0.02 2 7 178 10 GLY HA3 H 4.208 0.02 2 8 178 10 GLY C C 173.954 0.4 1 9 178 10 GLY CA C 44.702 0.4 1 10 179 11 ALA H H 8.062 0.02 1 11 179 11 ALA HA H 4.303 0.02 1 12 179 11 ALA HB H 1.333 0.02 1 13 179 11 ALA C C 177.069 0.4 1 14 179 11 ALA CA C 52.659 0.4 1 15 179 11 ALA CB C 19.265 0.4 1 16 179 11 ALA N N 123.666 0.1 1 17 180 12 LYS H H 8.166 0.02 1 18 180 12 LYS HA H 4.948 0.02 1 19 180 12 LYS HB2 H 1.352 0.02 2 20 180 12 LYS HB3 H 1.573 0.02 2 21 180 12 LYS HG2 H 1.367 0.02 2 22 180 12 LYS HG3 H 1.497 0.02 2 23 180 12 LYS HD2 H 1.463 0.02 1 24 180 12 LYS HD3 H 1.463 0.02 1 25 180 12 LYS HE2 H 2.893 0.02 1 26 180 12 LYS HE3 H 2.893 0.02 1 27 180 12 LYS C C 175.426 0.4 1 28 180 12 LYS CA C 54.549 0.4 1 29 180 12 LYS CB C 36.399 0.4 1 30 180 12 LYS CG C 25.688 0.4 1 31 180 12 LYS CD C 28.891 0.4 1 32 180 12 LYS CE C 42.177 0.4 1 33 180 12 LYS N N 117.034 0.1 1 34 181 13 ASN H H 8.95 0.02 1 35 181 13 ASN HA H 4.957 0.02 1 36 181 13 ASN HB2 H 2.44 0.02 2 37 181 13 ASN HB3 H 2.866 0.02 2 38 181 13 ASN HD21 H 6.183 0.02 2 39 181 13 ASN HD22 H 9.199 0.02 2 40 181 13 ASN C C 174.161 0.4 1 41 181 13 ASN CA C 52.22 0.4 1 42 181 13 ASN CB C 39.927 0.4 1 43 181 13 ASN N N 119.791 0.1 1 44 181 13 ASN ND2 N 121.468 0.1 1 45 182 14 TYR H H 9.026 0.02 1 46 182 14 TYR HA H 5.192 0.02 1 47 182 14 TYR HB2 H 2.846 0.02 2 48 182 14 TYR HB3 H 3.602 0.02 2 49 182 14 TYR HD1 H 7.08 0.02 1 50 182 14 TYR HD2 H 7.08 0.02 1 51 182 14 TYR HE1 H 6.349 0.02 1 52 182 14 TYR HE2 H 6.349 0.02 1 53 182 14 TYR C C 177.881 0.4 1 54 182 14 TYR CA C 56.44 0.4 1 55 182 14 TYR CB C 39.587 0.4 1 56 182 14 TYR CD1 C 133.2 0.4 1 57 182 14 TYR CD2 C 133.2 0.4 1 58 182 14 TYR CE1 C 117.83 0.4 1 59 182 14 TYR CE2 C 117.83 0.4 1 60 182 14 TYR N N 122.697 0.1 1 61 183 15 GLN H H 7.978 0.02 1 62 183 15 GLN HA H 4.552 0.02 1 63 183 15 GLN HB2 H 2.079 0.02 2 64 183 15 GLN HB3 H 2.17 0.02 2 65 183 15 GLN HG2 H 2.417 0.02 2 66 183 15 GLN HG3 H 2.568 0.02 2 67 183 15 GLN HE21 H 6.966 0.02 2 68 183 15 GLN HE22 H 7.719 0.02 2 69 183 15 GLN C C 172.707 0.4 1 70 183 15 GLN CA C 55.896 0.4 1 71 183 15 GLN CB C 26.788 0.4 1 72 183 15 GLN CG C 33.576 0.4 1 73 183 15 GLN N N 122.809 0.1 1 74 183 15 GLN NE2 N 112.857 0.1 1 75 184 16 TYR H H 8.222 0.02 1 76 184 16 TYR HA H 5.61 0.02 1 77 184 16 TYR HB2 H 2.437 0.02 2 78 184 16 TYR HB3 H 2.655 0.02 2 79 184 16 TYR HD1 H 6.66 0.02 1 80 184 16 TYR HD2 H 6.66 0.02 1 81 184 16 TYR HE1 H 6.563 0.02 1 82 184 16 TYR HE2 H 6.563 0.02 1 83 184 16 TYR C C 177.289 0.4 1 84 184 16 TYR CA C 56.822 0.4 1 85 184 16 TYR CB C 43.361 0.4 1 86 184 16 TYR CD1 C 132.96 0.4 1 87 184 16 TYR CD2 C 132.96 0.4 1 88 184 16 TYR CE1 C 117.61 0.4 1 89 184 16 TYR CE2 C 117.61 0.4 1 90 184 16 TYR N N 121.836 0.1 1 91 185 17 VAL H H 9.241 0.02 1 92 185 17 VAL HA H 5.37 0.02 1 93 185 17 VAL HB H 2.168 0.02 1 94 185 17 VAL HG1 H 0.863 0.02 2 95 185 17 VAL HG2 H 0.916 0.02 2 96 185 17 VAL C C 174.273 0.4 1 97 185 17 VAL CA C 59.303 0.4 1 98 185 17 VAL CB C 35.59 0.4 1 99 185 17 VAL CG1 C 21.171 0.4 2 100 185 17 VAL CG2 C 18.855 0.4 2 101 185 17 VAL N N 116.063 0.1 1 102 186 18 MET H H 9.83 0.02 1 103 186 18 MET HA H 6.091 0.02 1 104 186 18 MET HB2 H 1.676 0.02 2 105 186 18 MET HB3 H 2.22 0.02 2 106 186 18 MET HG2 H 2.355 0.02 1 107 186 18 MET HG3 H 2.355 0.02 1 108 186 18 MET HE H 2.029 0.02 1 109 186 18 MET C C 174.551 0.4 1 110 186 18 MET CA C 53.345 0.4 1 111 186 18 MET CB C 36.717 0.4 1 112 186 18 MET CG C 32.164 0.4 1 113 186 18 MET CE C 19.34 0.4 1 114 186 18 MET N N 117.13 0.1 1 115 187 19 SER H H 8.146 0.02 1 116 187 19 SER HA H 4.163 0.02 1 117 187 19 SER HB2 H 2.251 0.02 2 118 187 19 SER HB3 H 3.831 0.02 2 119 187 19 SER C C 174.574 0.4 1 120 187 19 SER CA C 57.776 0.4 1 121 187 19 SER CB C 63.647 0.4 1 122 187 19 SER N N 116.889 0.1 1 123 188 20 GLU H H 8.666 0.02 1 124 188 20 GLU HA H 4.662 0.02 1 125 188 20 GLU HB2 H 1.603 0.02 2 126 188 20 GLU HB3 H 2.161 0.02 2 127 188 20 GLU HG2 H 2.072 0.02 1 128 188 20 GLU HG3 H 2.072 0.02 1 129 188 20 GLU C C 175.322 0.4 1 130 188 20 GLU CA C 55.783 0.4 1 131 188 20 GLU CB C 31.608 0.4 1 132 188 20 GLU CG C 38.202 0.4 1 133 188 20 GLU N N 126.586 0.1 1 134 189 21 GLN H H 8.484 0.02 1 135 189 21 GLN HA H 4.957 0.02 1 136 189 21 GLN HB2 H 1.782 0.02 2 137 189 21 GLN HB3 H 2.313 0.02 2 138 189 21 GLN HG2 H 2.065 0.02 2 139 189 21 GLN HG3 H 2.746 0.02 2 140 189 21 GLN HE21 H 7.895 0.02 2 141 189 21 GLN HE22 H 8.166 0.02 2 142 189 21 GLN C C 174.657 0.4 1 143 189 21 GLN CA C 52.564 0.4 1 144 189 21 GLN CB C 34.052 0.4 1 145 189 21 GLN CG C 36.515 0.4 1 146 189 21 GLN N N 128.562 0.1 1 147 189 21 GLN NE2 N 116.824 0.1 1 148 190 22 PRO HA H 4.145 0.02 1 149 190 22 PRO HB2 H 2.036 0.02 2 150 190 22 PRO HB3 H 2.341 0.02 2 151 190 22 PRO HG2 H 2.075 0.02 2 152 190 22 PRO HG3 H 2.194 0.02 2 153 190 22 PRO HD2 H 3.865 0.02 2 154 190 22 PRO HD3 H 3.974 0.02 2 155 190 22 PRO C C 178.714 0.4 1 156 190 22 PRO CA C 65.678 0.4 1 157 190 22 PRO CB C 32.214 0.4 1 158 190 22 PRO CG C 27.499 0.4 1 159 190 22 PRO CD C 51.183 0.4 1 160 191 23 GLU H H 10.323 0.02 1 161 191 23 GLU HA H 4.265 0.02 1 162 191 23 GLU HB2 H 2.089 0.02 1 163 191 23 GLU HB3 H 2.089 0.02 1 164 191 23 GLU HG2 H 2.313 0.02 2 165 191 23 GLU HG3 H 2.421 0.02 2 166 191 23 GLU C C 177.688 0.4 1 167 191 23 GLU CA C 58.65 0.4 1 168 191 23 GLU CB C 28.338 0.4 1 169 191 23 GLU CG C 36.144 0.4 1 170 191 23 GLU N N 117.746 0.1 1 171 192 24 MET H H 8.133 0.02 1 172 192 24 MET HA H 4.398 0.02 1 173 192 24 MET HB2 H 2.126 0.02 2 174 192 24 MET HB3 H 2.237 0.02 2 175 192 24 MET HG2 H 2.348 0.02 2 176 192 24 MET HG3 H 2.919 0.02 2 177 192 24 MET HE H 2.181 0.02 1 178 192 24 MET C C 176.245 0.4 1 179 192 24 MET CA C 52.85 0.4 1 180 192 24 MET CB C 31.181 0.4 1 181 192 24 MET CG C 34.399 0.4 1 182 192 24 MET CE C 18.092 0.4 1 183 192 24 MET N N 116.281 0.1 1 184 193 25 ARG H H 7.196 0.02 1 185 193 25 ARG HA H 3.669 0.02 1 186 193 25 ARG HB2 H 1.848 0.02 1 187 193 25 ARG HB3 H 1.848 0.02 1 188 193 25 ARG HG2 H 1.753 0.02 2 189 193 25 ARG HG3 H 1.811 0.02 2 190 193 25 ARG HD2 H 3.18 0.02 1 191 193 25 ARG HD3 H 3.18 0.02 1 192 193 25 ARG C C 178.078 0.4 1 193 193 25 ARG CA C 59.845 0.4 1 194 193 25 ARG CB C 30.402 0.4 1 195 193 25 ARG CG C 27.475 0.4 1 196 193 25 ARG CD C 43.209 0.4 1 197 193 25 ARG N N 117.748 0.1 1 198 194 26 SER H H 8.611 0.02 1 199 194 26 SER HA H 4.17 0.02 1 200 194 26 SER HB2 H 3.828 0.02 2 201 194 26 SER HB3 H 3.922 0.02 2 202 194 26 SER C C 176.034 0.4 1 203 194 26 SER CA C 61.231 0.4 1 204 194 26 SER CB C 62.467 0.4 1 205 194 26 SER N N 113.138 0.1 1 206 195 27 ILE H H 7.324 0.02 1 207 195 27 ILE HA H 4.623 0.02 1 208 195 27 ILE HB H 2.014 0.02 1 209 195 27 ILE HG12 H 0.688 0.02 2 210 195 27 ILE HG13 H 1.358 0.02 2 211 195 27 ILE HG2 H 0.715 0.02 1 212 195 27 ILE HD1 H 0.554 0.02 1 213 195 27 ILE C C 173.971 0.4 1 214 195 27 ILE CA C 60.726 0.4 1 215 195 27 ILE CB C 38.21 0.4 1 216 195 27 ILE CG1 C 26.496 0.4 1 217 195 27 ILE CG2 C 19.282 0.4 1 218 195 27 ILE CD1 C 16.486 0.4 1 219 195 27 ILE N N 112.318 0.1 1 220 196 28 GLN H H 7.136 0.02 1 221 196 28 GLN HA H 4.319 0.02 1 222 196 28 GLN HB2 H 1.769 0.02 2 223 196 28 GLN HB3 H 2.114 0.02 2 224 196 28 GLN HG2 H 2.59 0.02 2 225 196 28 GLN HG3 H 2.673 0.02 2 226 196 28 GLN HE21 H 7.401 0.02 2 227 196 28 GLN HE22 H 7.919 0.02 2 228 196 28 GLN C C 174.919 0.4 1 229 196 28 GLN CA C 54.058 0.4 1 230 196 28 GLN CB C 27.561 0.4 1 231 196 28 GLN CG C 35.053 0.4 1 232 196 28 GLN N N 118.523 0.1 1 233 196 28 GLN NE2 N 111.212 0.1 1 234 197 29 PRO HA H 4.125 0.02 1 235 197 29 PRO HB2 H 1.267 0.02 2 236 197 29 PRO HB3 H 1.485 0.02 2 237 197 29 PRO HG2 H 1.564 0.02 2 238 197 29 PRO HG3 H 1.889 0.02 2 239 197 29 PRO HD2 H 3.799 0.02 2 240 197 29 PRO HD3 H 3.913 0.02 2 241 197 29 PRO C C 175.22 0.4 1 242 197 29 PRO CA C 61.74 0.4 1 243 197 29 PRO CB C 31.314 0.4 1 244 197 29 PRO CG C 27.101 0.4 1 245 197 29 PRO CD C 49.786 0.4 1 246 198 30 VAL H H 8.792 0.02 1 247 198 30 VAL HA H 3.697 0.02 1 248 198 30 VAL HB H 1.385 0.02 1 249 198 30 VAL HG1 H 0.46 0.02 2 250 198 30 VAL HG2 H 0.716 0.02 2 251 198 30 VAL C C 174.811 0.4 1 252 198 30 VAL CA C 63.243 0.4 1 253 198 30 VAL CB C 32.999 0.4 1 254 198 30 VAL CG1 C 20.754 0.4 2 255 198 30 VAL CG2 C 20.748 0.4 2 256 198 30 VAL N N 118.638 0.1 1 257 199 31 HIS H H 7.037 0.02 1 258 199 31 HIS HA H 5.363 0.02 1 259 199 31 HIS HB2 H 3.003 0.02 1 260 199 31 HIS HB3 H 3.003 0.02 1 261 199 31 HIS HD2 H 7.005 0.02 1 262 199 31 HIS HE1 H 8.29 0.02 1 263 199 31 HIS C C 174.247 0.4 1 264 199 31 HIS CA C 54.981 0.4 1 265 199 31 HIS CB C 34.521 0.4 1 266 199 31 HIS CD2 C 119.69 0.4 1 267 199 31 HIS CE1 C 136.52 0.4 1 268 199 31 HIS N N 108.975 0.1 1 269 200 32 VAL H H 8.181 0.02 1 270 200 32 VAL HA H 4.689 0.02 1 271 200 32 VAL HB H 0.977 0.02 1 272 200 32 VAL HG1 H -0.907 0.02 2 273 200 32 VAL HG2 H 0.553 0.02 2 274 200 32 VAL C C 172.761 0.4 1 275 200 32 VAL CA C 61.439 0.4 1 276 200 32 VAL CB C 35.827 0.4 1 277 200 32 VAL CG1 C 19.665 0.4 2 278 200 32 VAL CG2 C 24.539 0.4 2 279 200 32 VAL N N 121.453 0.1 1 280 201 33 TRP H H 8.229 0.02 1 281 201 33 TRP HA H 5.224 0.02 1 282 201 33 TRP HB2 H 2.779 0.02 2 283 201 33 TRP HB3 H 3.331 0.02 2 284 201 33 TRP HD1 H 6.506 0.02 1 285 201 33 TRP HE1 H 10.481 0.02 1 286 201 33 TRP HE3 H 7.536 0.02 1 287 201 33 TRP HZ2 H 7.466 0.02 1 288 201 33 TRP HZ3 H 6.719 0.02 1 289 201 33 TRP HH2 H 6.967 0.02 1 290 201 33 TRP C C 171.878 0.4 1 291 201 33 TRP CA C 56.286 0.4 1 292 201 33 TRP CB C 32.94 0.4 1 293 201 33 TRP CD1 C 126.41 0.4 1 294 201 33 TRP CE3 C 122.82 0.4 1 295 201 33 TRP CZ2 C 114.71 0.4 1 296 201 33 TRP CZ3 C 121.57 0.4 1 297 201 33 TRP CH2 C 123.66 0.4 1 298 201 33 TRP N N 124.167 0.1 1 299 201 33 TRP NE1 N 129.891 0.1 1 300 202 34 ASP H H 8.721 0.02 1 301 202 34 ASP HA H 5.498 0.02 1 302 202 34 ASP HB2 H 2.597 0.02 2 303 202 34 ASP HB3 H 2.944 0.02 2 304 202 34 ASP C C 174.141 0.4 1 305 202 34 ASP CA C 52.997 0.4 1 306 202 34 ASP CB C 47.334 0.4 1 307 202 34 ASP N N 115.446 0.1 1 308 203 35 ASN H H 8.362 0.02 1 309 203 35 ASN HA H 5.375 0.02 1 310 203 35 ASN HB2 H 2.294 0.02 2 311 203 35 ASN HB3 H 3.353 0.02 2 312 203 35 ASN HD21 H 6.496 0.02 2 313 203 35 ASN HD22 H 7.799 0.02 2 314 203 35 ASN C C 177.226 0.4 1 315 203 35 ASN CA C 51.478 0.4 1 316 203 35 ASN CB C 38.557 0.4 1 317 203 35 ASN N N 121.117 0.1 1 318 203 35 ASN ND2 N 110.806 0.1 1 319 204 36 TYR H H 10.105 0.02 1 320 204 36 TYR HA H 3.697 0.02 1 321 204 36 TYR HB2 H 3.134 0.02 2 322 204 36 TYR HB3 H 3.514 0.02 2 323 204 36 TYR HD1 H 7.034 0.02 1 324 204 36 TYR HD2 H 7.034 0.02 1 325 204 36 TYR HE1 H 6.565 0.02 1 326 204 36 TYR HE2 H 6.565 0.02 1 327 204 36 TYR C C 174.177 0.4 1 328 204 36 TYR CA C 61.784 0.4 1 329 204 36 TYR CB C 34.97 0.4 1 330 204 36 TYR CD1 C 133.77 0.4 1 331 204 36 TYR CD2 C 133.77 0.4 1 332 204 36 TYR CE1 C 117.61 0.4 1 333 204 36 TYR CE2 C 117.61 0.4 1 334 204 36 TYR N N 115.525 0.1 1 335 205 37 ARG H H 7.61 0.02 1 336 205 37 ARG HA H 4.383 0.02 1 337 205 37 ARG HB2 H 1.526 0.02 1 338 205 37 ARG HB3 H 1.526 0.02 1 339 205 37 ARG HG2 H 1.223 0.02 2 340 205 37 ARG HG3 H 1.405 0.02 2 341 205 37 ARG HD2 H 2.992 0.02 1 342 205 37 ARG HD3 H 2.992 0.02 1 343 205 37 ARG C C 174.056 0.4 1 344 205 37 ARG CA C 58.365 0.4 1 345 205 37 ARG CB C 32.559 0.4 1 346 205 37 ARG CG C 27.231 0.4 1 347 205 37 ARG CD C 43.203 0.4 1 348 205 37 ARG N N 119.047 0.1 1 349 206 38 PHE H H 8.959 0.02 1 350 206 38 PHE HA H 5.336 0.02 1 351 206 38 PHE HB2 H 3.011 0.02 1 352 206 38 PHE HB3 H 3.011 0.02 1 353 206 38 PHE HD1 H 7.088 0.02 1 354 206 38 PHE HD2 H 7.088 0.02 1 355 206 38 PHE HE1 H 7.214 0.02 1 356 206 38 PHE HE2 H 7.214 0.02 1 357 206 38 PHE C C 175.317 0.4 1 358 206 38 PHE CA C 53.756 0.4 1 359 206 38 PHE CB C 41.953 0.4 1 360 206 38 PHE N N 117.791 0.1 1 361 207 39 THR H H 8.802 0.02 1 362 207 39 THR HA H 4.55 0.02 1 363 207 39 THR HB H 3.632 0.02 1 364 207 39 THR HG2 H 0.29 0.02 1 365 207 39 THR C C 172.861 0.4 1 366 207 39 THR CA C 62.115 0.4 1 367 207 39 THR CB C 70.881 0.4 1 368 207 39 THR CG2 C 21.974 0.4 1 369 207 39 THR N N 115.56 0.1 1 370 208 40 ARG H H 8.684 0.02 1 371 208 40 ARG HA H 4.913 0.02 1 372 208 40 ARG HB2 H -0.447 0.02 2 373 208 40 ARG HB3 H 0.383 0.02 2 374 208 40 ARG HG2 H 0.886 0.02 2 375 208 40 ARG HG3 H 1.223 0.02 2 376 208 40 ARG HD2 H 2.525 0.02 1 377 208 40 ARG HD3 H 2.525 0.02 1 378 208 40 ARG HE H 7.641 0.02 1 379 208 40 ARG C C 172.84 0.4 1 380 208 40 ARG CA C 54.816 0.4 1 381 208 40 ARG CB C 32.521 0.4 1 382 208 40 ARG CG C 29.739 0.4 1 383 208 40 ARG CD C 43.787 0.4 1 384 208 40 ARG N N 125.183 0.1 1 385 209 41 PHE H H 8.649 0.02 1 386 209 41 PHE HA H 4.423 0.02 1 387 209 41 PHE HB2 H 2.311 0.02 2 388 209 41 PHE HB3 H 3.03 0.02 2 389 209 41 PHE HD1 H 5.979 0.02 1 390 209 41 PHE HD2 H 5.979 0.02 1 391 209 41 PHE HE1 H 6.682 0.02 1 392 209 41 PHE HE2 H 6.682 0.02 1 393 209 41 PHE HZ H 7.141 0.02 1 394 209 41 PHE C C 173.133 0.4 1 395 209 41 PHE CA C 55.647 0.4 1 396 209 41 PHE CB C 42.51 0.4 1 397 209 41 PHE CD1 C 130.14 0.4 1 398 209 41 PHE CD2 C 130.14 0.4 1 399 209 41 PHE CE1 C 131.54 0.4 1 400 209 41 PHE CE2 C 131.54 0.4 1 401 209 41 PHE N N 118.332 0.1 1 402 210 42 GLU H H 8.865 0.02 1 403 210 42 GLU HA H 4.883 0.02 1 404 210 42 GLU HB2 H 2.033 0.02 1 405 210 42 GLU HB3 H 2.033 0.02 1 406 210 42 GLU HG2 H 1.932 0.02 2 407 210 42 GLU HG3 H 2.23 0.02 2 408 210 42 GLU C C 174.224 0.4 1 409 210 42 GLU CA C 54.812 0.4 1 410 210 42 GLU CB C 32.877 0.4 1 411 210 42 GLU CG C 35.638 0.4 1 412 210 42 GLU N N 123.48 0.1 1 413 211 43 PHE H H 8.993 0.02 1 414 211 43 PHE HA H 4.726 0.02 1 415 211 43 PHE HB2 H 2.715 0.02 2 416 211 43 PHE HB3 H 3.208 0.02 2 417 211 43 PHE HD1 H 6.709 0.02 1 418 211 43 PHE HD2 H 6.709 0.02 1 419 211 43 PHE HE1 H 7.108 0.02 1 420 211 43 PHE HE2 H 7.108 0.02 1 421 211 43 PHE HZ H 7.168 0.02 1 422 211 43 PHE C C 172.373 0.4 1 423 211 43 PHE CA C 57.533 0.4 1 424 211 43 PHE CB C 38.996 0.4 1 425 211 43 PHE CD1 C 127.43 0.4 1 426 211 43 PHE CD2 C 127.43 0.4 1 427 211 43 PHE N N 126.493 0.1 1 428 212 44 PRO HA H 4.367 0.02 1 429 212 44 PRO HB2 H 1.791 0.02 2 430 212 44 PRO HB3 H 2.378 0.02 2 431 212 44 PRO HG2 H 1.893 0.02 2 432 212 44 PRO HG3 H 2.255 0.02 2 433 212 44 PRO HD2 H 3.838 0.02 1 434 212 44 PRO HD3 H 3.838 0.02 1 435 212 44 PRO C C 176.546 0.4 1 436 212 44 PRO CA C 63.55 0.4 1 437 212 44 PRO CB C 32.062 0.4 1 438 212 44 PRO CG C 28.679 0.4 1 439 212 44 PRO CD C 51.341 0.4 1 440 213 45 ALA H H 8.707 0.02 1 441 213 45 ALA HA H 4.034 0.02 1 442 213 45 ALA HB H 1.338 0.02 1 443 213 45 ALA C C 177.796 0.4 1 444 213 45 ALA CA C 53.54 0.4 1 445 213 45 ALA CB C 18.38 0.4 1 446 213 45 ALA N N 124.789 0.1 1 447 214 46 ASN H H 8.856 0.02 1 448 214 46 ASN HA H 4.383 0.02 1 449 214 46 ASN HB2 H 2.876 0.02 2 450 214 46 ASN HB3 H 2.969 0.02 2 451 214 46 ASN HD21 H 6.92 0.02 2 452 214 46 ASN HD22 H 7.572 0.02 2 453 214 46 ASN C C 174.065 0.4 1 454 214 46 ASN CA C 54.287 0.4 1 455 214 46 ASN CB C 37.576 0.4 1 456 214 46 ASN N N 114.298 0.1 1 457 214 46 ASN ND2 N 113.528 0.1 1 458 215 47 ALA H H 7.526 0.02 1 459 215 47 ALA HA H 4.392 0.02 1 460 215 47 ALA HB H 1.334 0.02 1 461 215 47 ALA C C 177.467 0.4 1 462 215 47 ALA CA C 51.608 0.4 1 463 215 47 ALA CB C 20.3 0.4 1 464 215 47 ALA N N 121.83 0.1 1 465 216 48 GLU H H 8.205 0.02 1 466 216 48 GLU HA H 3.988 0.02 1 467 216 48 GLU HB2 H 1.699 0.02 2 468 216 48 GLU HB3 H 1.755 0.02 2 469 216 48 GLU HG2 H 2.05 0.02 2 470 216 48 GLU HG3 H 2.141 0.02 2 471 216 48 GLU C C 175.945 0.4 1 472 216 48 GLU CA C 56.451 0.4 1 473 216 48 GLU CB C 29.704 0.4 1 474 216 48 GLU CG C 36.211 0.4 1 475 216 48 GLU N N 122.97 0.1 1 476 217 49 LEU H H 8.265 0.02 1 477 217 49 LEU HA H 4.041 0.02 1 478 217 49 LEU HB2 H 1.102 0.02 2 479 217 49 LEU HB3 H 1.592 0.02 2 480 217 49 LEU HG H 1.686 0.02 1 481 217 49 LEU HD1 H 0.712 0.02 2 482 217 49 LEU HD2 H 0.886 0.02 2 483 217 49 LEU C C 175.078 0.4 1 484 217 49 LEU CA C 52.205 0.4 1 485 217 49 LEU CB C 41.829 0.4 1 486 217 49 LEU CG C 26.747 0.4 1 487 217 49 LEU CD1 C 24.041 0.4 2 488 217 49 LEU CD2 C 26.092 0.4 2 489 217 49 LEU N N 125.993 0.1 1 490 218 50 PRO HA H 4.503 0.02 1 491 218 50 PRO HB2 H 1.567 0.02 2 492 218 50 PRO HB3 H 1.74 0.02 2 493 218 50 PRO HG2 H 0.924 0.02 2 494 218 50 PRO HG3 H 1.285 0.02 2 495 218 50 PRO HD2 H 2.011 0.02 2 496 218 50 PRO HD3 H 3.036 0.02 2 497 218 50 PRO C C 173.773 0.4 1 498 218 50 PRO CA C 61.079 0.4 1 499 218 50 PRO CB C 33.399 0.4 1 500 218 50 PRO CG C 28.002 0.4 1 501 218 50 PRO CD C 48.449 0.4 1 502 219 51 GLN H H 8.246 0.02 1 503 219 51 GLN HA H 4.289 0.02 1 504 219 51 GLN HB2 H 1.625 0.02 2 505 219 51 GLN HB3 H 2.024 0.02 2 506 219 51 GLN HG2 H 2.256 0.02 1 507 219 51 GLN HG3 H 2.256 0.02 1 508 219 51 GLN HE21 H 6.764 0.02 2 509 219 51 GLN HE22 H 7.546 0.02 2 510 219 51 GLN C C 175.264 0.4 1 511 219 51 GLN CA C 55.343 0.4 1 512 219 51 GLN CB C 32.506 0.4 1 513 219 51 GLN CG C 35.113 0.4 1 514 219 51 GLN N N 113.706 0.1 1 515 219 51 GLN NE2 N 113.178 0.1 1 516 220 52 VAL H H 8.1 0.02 1 517 220 52 VAL HA H 4.311 0.02 1 518 220 52 VAL HB H 1.432 0.02 1 519 220 52 VAL HG1 H -0.036 0.02 2 520 220 52 VAL HG2 H 0.245 0.02 2 521 220 52 VAL C C 173.542 0.4 1 522 220 52 VAL CA C 62.313 0.4 1 523 220 52 VAL CB C 32.26 0.4 1 524 220 52 VAL CG1 C 22.257 0.4 2 525 220 52 VAL CG2 C 20.537 0.4 2 526 220 52 VAL N N 121.413 0.1 1 527 221 53 TYR H H 9.215 0.02 1 528 221 53 TYR HA H 4.995 0.02 1 529 221 53 TYR HB2 H 2.832 0.02 2 530 221 53 TYR HB3 H 3.014 0.02 2 531 221 53 TYR HD1 H 6.696 0.02 1 532 221 53 TYR HD2 H 6.696 0.02 1 533 221 53 TYR HE1 H 6.823 0.02 1 534 221 53 TYR HE2 H 6.823 0.02 1 535 221 53 TYR C C 176.557 0.4 1 536 221 53 TYR CA C 56.939 0.4 1 537 221 53 TYR CB C 41.233 0.4 1 538 221 53 TYR CD1 C 133.08 0.4 1 539 221 53 TYR CD2 C 133.08 0.4 1 540 221 53 TYR CE1 C 118.42 0.4 1 541 221 53 TYR CE2 C 118.42 0.4 1 542 221 53 TYR N N 122.972 0.1 1 543 222 54 MET H H 9.256 0.02 1 544 222 54 MET HA H 4.41 0.02 1 545 222 54 MET HB2 H 1.298 0.02 2 546 222 54 MET HB3 H 1.412 0.02 2 547 222 54 MET HG2 H 1.494 0.02 2 548 222 54 MET HG3 H 1.822 0.02 2 549 222 54 MET HE H 1.835 0.02 1 550 222 54 MET C C 174.946 0.4 1 551 222 54 MET CA C 54.004 0.4 1 552 222 54 MET CB C 35.834 0.4 1 553 222 54 MET CG C 31.082 0.4 1 554 222 54 MET CE C 17.346 0.4 1 555 222 54 MET N N 121.731 0.1 1 556 223 55 ILE H H 7.637 0.02 1 557 223 55 ILE HA H 4.48 0.02 1 558 223 55 ILE HB H 1.68 0.02 1 559 223 55 ILE HG12 H 1.075 0.02 2 560 223 55 ILE HG13 H 1.16 0.02 2 561 223 55 ILE HG2 H 0.778 0.02 1 562 223 55 ILE HD1 H 0.651 0.02 1 563 223 55 ILE C C 175.72 0.4 1 564 223 55 ILE CA C 59.141 0.4 1 565 223 55 ILE CB C 36.498 0.4 1 566 223 55 ILE CG1 C 27.327 0.4 1 567 223 55 ILE CG2 C 16.624 0.4 1 568 223 55 ILE CD1 C 11.231 0.4 1 569 223 55 ILE N N 122.454 0.1 1 570 224 56 SER H H 8.627 0.02 1 571 224 56 SER HA H 4.45 0.02 1 572 224 56 SER HB2 H 3.937 0.02 2 573 224 56 SER HB3 H 4.232 0.02 2 574 224 56 SER C C 175.881 0.4 1 575 224 56 SER CA C 57.52 0.4 1 576 224 56 SER CB C 65.447 0.4 1 577 224 56 SER N N 124.488 0.1 1 578 225 57 ALA HA H 4.117 0.02 1 579 225 57 ALA HB H 1.464 0.02 1 580 225 57 ALA CA C 54.839 0.4 1 581 225 57 ALA CB C 18.272 0.4 1 582 226 58 SER HA H 4.391 0.02 1 583 226 58 SER HB2 H 3.831 0.02 2 584 226 58 SER HB3 H 3.995 0.02 2 585 226 58 SER C C 175.249 0.4 1 586 226 58 SER CA C 57.99 0.4 1 587 226 58 SER CB C 63.6 0.4 1 588 227 59 GLY H H 8.113 0.02 1 589 227 59 GLY HA2 H 3.442 0.02 2 590 227 59 GLY HA3 H 4.24 0.02 2 591 227 59 GLY C C 173.644 0.4 1 592 227 59 GLY CA C 45.099 0.4 1 593 227 59 GLY N N 110.976 0.1 1 594 228 60 LYS H H 7.343 0.02 1 595 228 60 LYS HA H 4.332 0.02 1 596 228 60 LYS HB2 H 1.562 0.02 2 597 228 60 LYS HB3 H 1.686 0.02 2 598 228 60 LYS HG2 H 1.26 0.02 2 599 228 60 LYS HG3 H 1.328 0.02 2 600 228 60 LYS HD2 H 1.571 0.02 1 601 228 60 LYS HD3 H 1.571 0.02 1 602 228 60 LYS HE2 H 2.905 0.02 1 603 228 60 LYS HE3 H 2.905 0.02 1 604 228 60 LYS C C 176.433 0.4 1 605 228 60 LYS CA C 55.08 0.4 1 606 228 60 LYS CB C 33.399 0.4 1 607 228 60 LYS CG C 24.768 0.4 1 608 228 60 LYS CD C 28.588 0.4 1 609 228 60 LYS CE C 42.043 0.4 1 610 228 60 LYS N N 119.692 0.1 1 611 229 61 GLU H H 8.839 0.02 1 612 229 61 GLU HA H 5.016 0.02 1 613 229 61 GLU HB2 H 1.661 0.02 2 614 229 61 GLU HB3 H 1.809 0.02 2 615 229 61 GLU HG2 H 1.817 0.02 2 616 229 61 GLU HG3 H 2.15 0.02 2 617 229 61 GLU C C 176.985 0.4 1 618 229 61 GLU CA C 56.387 0.4 1 619 229 61 GLU CB C 30.254 0.4 1 620 229 61 GLU CG C 37.599 0.4 1 621 229 61 GLU N N 125.789 0.1 1 622 230 62 THR H H 9.25 0.02 1 623 230 62 THR HA H 4.761 0.02 1 624 230 62 THR HB H 4.011 0.02 1 625 230 62 THR HG2 H 1.083 0.02 1 626 230 62 THR C C 172.284 0.4 1 627 230 62 THR CA C 60.319 0.4 1 628 230 62 THR CB C 71.667 0.4 1 629 230 62 THR CG2 C 21.61 0.4 1 630 230 62 THR N N 118.298 0.1 1 631 231 63 LEU H H 8.787 0.02 1 632 231 63 LEU HA H 4.895 0.02 1 633 231 63 LEU HB2 H 1.328 0.02 2 634 231 63 LEU HB3 H 1.807 0.02 2 635 231 63 LEU HG H 1.228 0.02 1 636 231 63 LEU HD1 H 0.362 0.02 2 637 231 63 LEU HD2 H 0.558 0.02 2 638 231 63 LEU C C 174.345 0.4 1 639 231 63 LEU CA C 51.846 0.4 1 640 231 63 LEU CB C 42.922 0.4 1 641 231 63 LEU CG C 26.736 0.4 1 642 231 63 LEU CD1 C 23.44 0.4 2 643 231 63 LEU CD2 C 25.261 0.4 2 644 231 63 LEU N N 127.529 0.1 1 645 232 64 PRO HA H 4.658 0.02 1 646 232 64 PRO HB2 H 1.988 0.02 2 647 232 64 PRO HB3 H 2.327 0.02 2 648 232 64 PRO HG2 H 1.975 0.02 1 649 232 64 PRO HG3 H 1.975 0.02 1 650 232 64 PRO HD2 H 4.111 0.02 2 651 232 64 PRO HD3 H 4.272 0.02 2 652 232 64 PRO C C 175.958 0.4 1 653 232 64 PRO CA C 61.659 0.4 1 654 232 64 PRO CB C 32.088 0.4 1 655 232 64 PRO CG C 27.856 0.4 1 656 232 64 PRO CD C 50.927 0.4 1 657 233 65 ASN H H 8.771 0.02 1 658 233 65 ASN HA H 4.538 0.02 1 659 233 65 ASN HB2 H 2.669 0.02 2 660 233 65 ASN HB3 H 2.719 0.02 2 661 233 65 ASN HD21 H 6.981 0.02 2 662 233 65 ASN HD22 H 7.71 0.02 2 663 233 65 ASN C C 174.308 0.4 1 664 233 65 ASN CA C 54.267 0.4 1 665 233 65 ASN CB C 38.207 0.4 1 666 233 65 ASN N N 119.599 0.1 1 667 233 65 ASN ND2 N 113 0.1 1 668 234 66 SER H H 8.11 0.02 1 669 234 66 SER HA H 5.223 0.02 1 670 234 66 SER HB2 H 3.584 0.02 2 671 234 66 SER HB3 H 3.715 0.02 2 672 234 66 SER C C 172.701 0.4 1 673 234 66 SER CA C 56.92 0.4 1 674 234 66 SER CB C 67.384 0.4 1 675 234 66 SER N N 116.551 0.1 1 676 235 67 HIS H H 8.572 0.02 1 677 235 67 HIS HA H 4.929 0.02 1 678 235 67 HIS HB2 H 3.009 0.02 2 679 235 67 HIS HB3 H 3.252 0.02 2 680 235 67 HIS HD2 H 7.792 0.02 1 681 235 67 HIS C C 172.77 0.4 1 682 235 67 HIS CA C 54.431 0.4 1 683 235 67 HIS CB C 32.185 0.4 1 684 235 67 HIS CD2 C 119.77 0.4 1 685 235 67 HIS CE1 C 138.15 0.4 1 686 235 67 HIS N N 115.264 0.1 1 687 236 68 VAL H H 8.624 0.02 1 688 236 68 VAL HA H 4.835 0.02 1 689 236 68 VAL HB H 1.866 0.02 1 690 236 68 VAL HG1 H 0.772 0.02 2 691 236 68 VAL HG2 H 0.871 0.02 2 692 236 68 VAL C C 176.588 0.4 1 693 236 68 VAL CA C 62.341 0.4 1 694 236 68 VAL CB C 32.24 0.4 1 695 236 68 VAL CG1 C 21.524 0.4 2 696 236 68 VAL CG2 C 21.849 0.4 2 697 236 68 VAL N N 123.512 0.1 1 698 237 69 VAL H H 9.493 0.02 1 699 237 69 VAL HA H 4.669 0.02 1 700 237 69 VAL HB H 2.161 0.02 1 701 237 69 VAL HG1 H 0.581 0.02 2 702 237 69 VAL HG2 H 0.704 0.02 2 703 237 69 VAL C C 174.517 0.4 1 704 237 69 VAL CA C 59.52 0.4 1 705 237 69 VAL CB C 35.435 0.4 1 706 237 69 VAL CG1 C 19.039 0.4 2 707 237 69 VAL CG2 C 21.939 0.4 2 708 237 69 VAL N N 123.712 0.1 1 709 238 70 GLY H H 7.896 0.02 1 710 238 70 GLY HA2 H 3.754 0.02 2 711 238 70 GLY HA3 H 4.68 0.02 2 712 238 70 GLY C C 176.923 0.4 1 713 238 70 GLY CA C 43.91 0.4 1 714 238 70 GLY N N 105 0.1 1 715 239 71 GLU HA H 4.056 0.02 1 716 239 71 GLU HB2 H 1.951 0.02 2 717 239 71 GLU HB3 H 2.032 0.02 2 718 239 71 GLU HG2 H 2.256 0.02 1 719 239 71 GLU HG3 H 2.256 0.02 1 720 239 71 GLU C C 177.761 0.4 1 721 239 71 GLU CA C 59.393 0.4 1 722 239 71 GLU CB C 29.558 0.4 1 723 239 71 GLU CG C 36.031 0.4 1 724 240 72 ASN H H 8.919 0.02 1 725 240 72 ASN HA H 4.934 0.02 1 726 240 72 ASN HB2 H 2.497 0.02 2 727 240 72 ASN HB3 H 2.885 0.02 2 728 240 72 ASN HD21 H 7.093 0.02 2 729 240 72 ASN HD22 H 7.594 0.02 2 730 240 72 ASN C C 174.349 0.4 1 731 240 72 ASN CA C 52.686 0.4 1 732 240 72 ASN CB C 38.395 0.4 1 733 240 72 ASN N N 114.07 0.1 1 734 240 72 ASN ND2 N 114.056 0.1 1 735 241 73 ARG H H 8.038 0.02 1 736 241 73 ARG HA H 3.574 0.02 1 737 241 73 ARG HB2 H 1.521 0.02 1 738 241 73 ARG HB3 H 1.521 0.02 1 739 241 73 ARG HG2 H 1.813 0.02 2 740 241 73 ARG HG3 H 1.891 0.02 2 741 241 73 ARG HD2 H 3.185 0.02 1 742 241 73 ARG HD3 H 3.185 0.02 1 743 241 73 ARG C C 174.665 0.4 1 744 241 73 ARG CA C 57.006 0.4 1 745 241 73 ARG CB C 27.384 0.4 1 746 241 73 ARG CG C 26.76 0.4 1 747 241 73 ARG CD C 43.242 0.4 1 748 241 73 ARG N N 115.347 0.1 1 749 242 74 ASN H H 8.507 0.02 1 750 242 74 ASN HA H 5.001 0.02 1 751 242 74 ASN HB2 H 2.249 0.02 2 752 242 74 ASN HB3 H 3.202 0.02 2 753 242 74 ASN HD21 H 7.5 0.02 2 754 242 74 ASN C C 173.011 0.4 1 755 242 74 ASN CA C 52.889 0.4 1 756 242 74 ASN CB C 38.253 0.4 1 757 242 74 ASN N N 111.103 0.1 1 758 242 74 ASN ND2 N 114.266 0.1 1 759 243 75 ILE H H 7.931 0.02 1 760 243 75 ILE HA H 5.211 0.02 1 761 243 75 ILE HB H 1.668 0.02 1 762 243 75 ILE HG12 H 0.762 0.02 2 763 243 75 ILE HG13 H 1.736 0.02 2 764 243 75 ILE HG2 H 0.49 0.02 1 765 243 75 ILE HD1 H 0.94 0.02 1 766 243 75 ILE C C 174.835 0.4 1 767 243 75 ILE CA C 59.323 0.4 1 768 243 75 ILE CB C 39.88 0.4 1 769 243 75 ILE CG1 C 27.844 0.4 1 770 243 75 ILE CG2 C 17.292 0.4 1 771 243 75 ILE CD1 C 14.123 0.4 1 772 243 75 ILE N N 120.48 0.1 1 773 244 76 ILE H H 9.357 0.02 1 774 244 76 ILE HA H 4.558 0.02 1 775 244 76 ILE HB H 1.742 0.02 1 776 244 76 ILE HG12 H 1.012 0.02 2 777 244 76 ILE HG13 H 1.727 0.02 2 778 244 76 ILE HG2 H 0.738 0.02 1 779 244 76 ILE HD1 H 0.77 0.02 1 780 244 76 ILE C C 174.892 0.4 1 781 244 76 ILE CA C 60.576 0.4 1 782 244 76 ILE CB C 40.435 0.4 1 783 244 76 ILE CG1 C 27.962 0.4 1 784 244 76 ILE CG2 C 17.582 0.4 1 785 244 76 ILE CD1 C 14.469 0.4 1 786 244 76 ILE N N 126.375 0.1 1 787 245 77 GLU H H 9.264 0.02 1 788 245 77 GLU HA H 5.081 0.02 1 789 245 77 GLU HB2 H 1.503 0.02 2 790 245 77 GLU HB3 H 1.804 0.02 2 791 245 77 GLU HG2 H 1.509 0.02 2 792 245 77 GLU HG3 H 1.856 0.02 2 793 245 77 GLU C C 174.417 0.4 1 794 245 77 GLU CA C 54.5 0.4 1 795 245 77 GLU CB C 33.438 0.4 1 796 245 77 GLU CG C 33.77 0.4 1 797 245 77 GLU N N 129.238 0.1 1 798 246 78 VAL H H 9.437 0.02 1 799 246 78 VAL HA H 4.442 0.02 1 800 246 78 VAL HB H 2.004 0.02 1 801 246 78 VAL HG1 H 0.826 0.02 2 802 246 78 VAL HG2 H 1.212 0.02 2 803 246 78 VAL C C 177.255 0.4 1 804 246 78 VAL CA C 60.716 0.4 1 805 246 78 VAL CB C 34.203 0.4 1 806 246 78 VAL CG1 C 21.209 0.4 2 807 246 78 VAL CG2 C 23.469 0.4 2 808 246 78 VAL N N 126.542 0.1 1 809 247 79 GLU H H 8.634 0.02 1 810 247 79 GLU HA H 3.967 0.02 1 811 247 79 GLU HB2 H 1.734 0.02 2 812 247 79 GLU HB3 H 2.12 0.02 2 813 247 79 GLU HG2 H 1.569 0.02 2 814 247 79 GLU HG3 H 1.758 0.02 2 815 247 79 GLU C C 175.623 0.4 1 816 247 79 GLU CA C 56.623 0.4 1 817 247 79 GLU CB C 27.786 0.4 1 818 247 79 GLU CG C 36.271 0.4 1 819 247 79 GLU N N 129.127 0.1 1 820 248 80 THR H H 8.409 0.02 1 821 248 80 THR HA H 4.859 0.02 1 822 248 80 THR HB H 4.342 0.02 1 823 248 80 THR HG2 H 1.15 0.02 1 824 248 80 THR C C 172.323 0.4 1 825 248 80 THR CA C 61.854 0.4 1 826 248 80 THR CB C 69.565 0.4 1 827 248 80 THR CG2 C 19.97 0.4 1 828 248 80 THR N N 115.439 0.1 1 829 249 81 VAL H H 8.177 0.02 1 830 249 81 VAL HA H 4.454 0.02 1 831 249 81 VAL HB H 1.895 0.02 1 832 249 81 VAL HG1 H 0.725 0.02 2 833 249 81 VAL HG2 H 0.878 0.02 2 834 249 81 VAL C C 173.634 0.4 1 835 249 81 VAL CA C 61.08 0.4 1 836 249 81 VAL CB C 35.112 0.4 1 837 249 81 VAL CG1 C 20.834 0.4 2 838 249 81 VAL CG2 C 21.779 0.4 2 839 249 81 VAL N N 119.34 0.1 1 840 250 82 ALA H H 9.365 0.02 1 841 250 82 ALA HA H 4.364 0.02 1 842 250 82 ALA HB H 0.563 0.02 1 843 250 82 ALA C C 175.109 0.4 1 844 250 82 ALA CA C 50.901 0.4 1 845 250 82 ALA CB C 22.265 0.4 1 846 250 82 ALA N N 126.924 0.1 1 847 251 83 LYS H H 7.545 0.02 1 848 251 83 LYS HA H 3.761 0.02 1 849 251 83 LYS HB2 H 1.061 0.02 2 850 251 83 LYS HB3 H 1.483 0.02 2 851 251 83 LYS HG2 H 1.131 0.02 2 852 251 83 LYS HG3 H 1.262 0.02 2 853 251 83 LYS HD2 H 1.544 0.02 2 854 251 83 LYS HD3 H 1.718 0.02 2 855 251 83 LYS HE2 H 2.858 0.02 1 856 251 83 LYS HE3 H 2.858 0.02 1 857 251 83 LYS C C 176.037 0.4 1 858 251 83 LYS CA C 58.308 0.4 1 859 251 83 LYS CB C 32.936 0.4 1 860 251 83 LYS CG C 25.209 0.4 1 861 251 83 LYS CD C 29.166 0.4 1 862 251 83 LYS CE C 42.091 0.4 1 863 251 83 LYS N N 118.367 0.1 1 864 252 84 GLU H H 7.717 0.02 1 865 252 84 GLU HA H 5.27 0.02 1 866 252 84 GLU HB2 H 1.772 0.02 2 867 252 84 GLU HB3 H 1.858 0.02 2 868 252 84 GLU HG2 H 2.283 0.02 2 869 252 84 GLU HG3 H 2.447 0.02 2 870 252 84 GLU C C 172.94 0.4 1 871 252 84 GLU CA C 55.861 0.4 1 872 252 84 GLU CB C 33.426 0.4 1 873 252 84 GLU CG C 37.751 0.4 1 874 252 84 GLU N N 116.687 0.1 1 875 253 85 TRP H H 9.309 0.02 1 876 253 85 TRP HA H 5.491 0.02 1 877 253 85 TRP HB2 H 3.053 0.02 2 878 253 85 TRP HB3 H 3.42 0.02 2 879 253 85 TRP HD1 H 6.869 0.02 1 880 253 85 TRP HE1 H 10.52 0.02 1 881 253 85 TRP HE3 H 7.548 0.02 1 882 253 85 TRP HZ2 H 7.379 0.02 1 883 253 85 TRP HZ3 H 6.697 0.02 1 884 253 85 TRP HH2 H 6.876 0.02 1 885 253 85 TRP C C 178.023 0.4 1 886 253 85 TRP CA C 55.471 0.4 1 887 253 85 TRP CB C 34.275 0.4 1 888 253 85 TRP CD1 C 124.84 0.4 1 889 253 85 TRP CE3 C 122.25 0.4 1 890 253 85 TRP CZ2 C 114.25 0.4 1 891 253 85 TRP CZ3 C 120.64 0.4 1 892 253 85 TRP CH2 C 123.73 0.4 1 893 253 85 TRP N N 120.979 0.1 1 894 253 85 TRP NE1 N 129.892 0.1 1 895 254 86 ARG H H 10.065 0.02 1 896 254 86 ARG HA H 5.067 0.02 1 897 254 86 ARG HB2 H 1.318 0.02 2 898 254 86 ARG HB3 H 1.842 0.02 2 899 254 86 ARG HD2 H 2.776 0.02 2 900 254 86 ARG HD3 H 3.191 0.02 2 901 254 86 ARG HE H 8.77 0.02 1 902 254 86 ARG C C 173.268 0.4 1 903 254 86 ARG CA C 54.499 0.4 1 904 254 86 ARG CB C 33.389 0.4 1 905 254 86 ARG CD C 43.133 0.4 1 906 254 86 ARG N N 123.706 0.1 1 907 255 87 ILE H H 9.31 0.02 1 908 255 87 ILE HA H 4.813 0.02 1 909 255 87 ILE HB H 1.963 0.02 1 910 255 87 ILE HG12 H 1.024 0.02 2 911 255 87 ILE HG13 H 1.619 0.02 2 912 255 87 ILE HG2 H 1.017 0.02 1 913 255 87 ILE HD1 H 0.973 0.02 1 914 255 87 ILE C C 175.858 0.4 1 915 255 87 ILE CA C 60.283 0.4 1 916 255 87 ILE CB C 38.727 0.4 1 917 255 87 ILE CG1 C 27.935 0.4 1 918 255 87 ILE CG2 C 19.443 0.4 1 919 255 87 ILE CD1 C 14.913 0.4 1 920 255 87 ILE N N 126.323 0.1 1 921 256 88 ARG H H 9.29 0.02 1 922 256 88 ARG HA H 5.221 0.02 1 923 256 88 ARG HB2 H 1.69 0.02 2 924 256 88 ARG HB3 H 1.898 0.02 2 925 256 88 ARG HG2 H 1.296 0.02 2 926 256 88 ARG HG3 H 1.456 0.02 2 927 256 88 ARG HD2 H 2.47 0.02 2 928 256 88 ARG HD3 H 2.914 0.02 2 929 256 88 ARG HE H 9.617 0.02 1 930 256 88 ARG C C 175.329 0.4 1 931 256 88 ARG CA C 55.928 0.4 1 932 256 88 ARG CB C 36.086 0.4 1 933 256 88 ARG CG C 29.623 0.4 1 934 256 88 ARG CD C 42.208 0.4 1 935 256 88 ARG N N 124.202 0.1 1 936 257 89 LEU H H 7.465 0.02 1 937 257 89 LEU HA H 4.4 0.02 1 938 257 89 LEU HB2 H 1.29 0.02 2 939 257 89 LEU HB3 H 1.716 0.02 2 940 257 89 LEU HG H 1.386 0.02 1 941 257 89 LEU HD1 H 0.584 0.02 2 942 257 89 LEU HD2 H 0.775 0.02 2 943 257 89 LEU C C 176.847 0.4 1 944 257 89 LEU CA C 56.111 0.4 1 945 257 89 LEU CB C 45.658 0.4 1 946 257 89 LEU CG C 27.835 0.4 1 947 257 89 LEU CD1 C 25.514 0.4 2 948 257 89 LEU CD2 C 23.607 0.4 2 949 257 89 LEU N N 121.816 0.1 1 950 258 90 GLY H H 9.479 0.02 1 951 258 90 GLY HA2 H 3.676 0.02 2 952 258 90 GLY HA3 H 3.9 0.02 2 953 258 90 GLY C C 174.746 0.4 1 954 258 90 GLY CA C 47.451 0.4 1 955 258 90 GLY N N 121.03 0.1 1 956 259 91 ASP H H 8.786 0.02 1 957 259 91 ASP C C 174.88 0.4 1 958 259 91 ASP N N 127.554 0.1 1 959 260 92 LYS H H 8.184 0.02 1 960 260 92 LYS HA H 4.596 0.02 1 961 260 92 LYS HB2 H 1.521 0.02 2 962 260 92 LYS HB3 H 2.069 0.02 2 963 260 92 LYS HG2 H 1.466 0.02 2 964 260 92 LYS HG3 H 1.552 0.02 2 965 260 92 LYS HD2 H 1.569 0.02 1 966 260 92 LYS HD3 H 1.569 0.02 1 967 260 92 LYS HE2 H 3.019 0.02 1 968 260 92 LYS HE3 H 3.019 0.02 1 969 260 92 LYS C C 177.053 0.4 1 970 260 92 LYS CA C 55.6 0.4 1 971 260 92 LYS CB C 34.508 0.4 1 972 260 92 LYS CG C 25.68 0.4 1 973 260 92 LYS CD C 29.966 0.4 1 974 260 92 LYS CE C 42.177 0.4 1 975 260 92 LYS N N 117.616 0.1 1 976 261 93 VAL H H 8.388 0.02 1 977 261 93 VAL HA H 5.592 0.02 1 978 261 93 VAL HB H 1.846 0.02 1 979 261 93 VAL HG1 H 0.485 0.02 2 980 261 93 VAL HG2 H 0.662 0.02 2 981 261 93 VAL C C 171.967 0.4 1 982 261 93 VAL CA C 58.659 0.4 1 983 261 93 VAL CB C 34.701 0.4 1 984 261 93 VAL CG1 C 17.66 0.4 2 985 261 93 VAL CG2 C 22.543 0.4 2 986 261 93 VAL N N 122.458 0.1 1 987 262 94 VAL H H 9.042 0.02 1 988 262 94 VAL HA H 3.728 0.02 1 989 262 94 VAL HB H 1.829 0.02 1 990 262 94 VAL HG1 H 0.921 0.02 2 991 262 94 VAL HG2 H 1.083 0.02 2 992 262 94 VAL C C 175.855 0.4 1 993 262 94 VAL CA C 61.786 0.4 1 994 262 94 VAL CB C 36.809 0.4 1 995 262 94 VAL CG1 C 23.066 0.4 2 996 262 94 VAL CG2 C 21.628 0.4 2 997 262 94 VAL N N 127.624 0.1 1 998 263 95 GLY H H 8.527 0.02 1 999 263 95 GLY HA2 H 3.191 0.02 2 1000 263 95 GLY HA3 H 4.888 0.02 2 1001 263 95 GLY C C 171.771 0.4 1 1002 263 95 GLY CA C 45.356 0.4 1 1003 263 95 GLY N N 114.83 0.1 1 1004 264 96 VAL H H 8.497 0.02 1 1005 264 96 VAL HA H 5.49 0.02 1 1006 264 96 VAL HB H 2.196 0.02 1 1007 264 96 VAL HG1 H 1.057 0.02 2 1008 264 96 VAL HG2 H 1.265 0.02 2 1009 264 96 VAL C C 174.526 0.4 1 1010 264 96 VAL CA C 61.078 0.4 1 1011 264 96 VAL CB C 36.51 0.4 1 1012 264 96 VAL CG1 C 22.436 0.4 2 1013 264 96 VAL CG2 C 23.368 0.4 2 1014 264 96 VAL N N 122.611 0.1 1 1015 265 97 ARG H H 9.797 0.02 1 1016 265 97 ARG HA H 5.401 0.02 1 1017 265 97 ARG HB2 H 1.528 0.02 2 1018 265 97 ARG HB3 H 1.715 0.02 2 1019 265 97 ARG HG2 H 1.368 0.02 2 1020 265 97 ARG HG3 H 1.565 0.02 2 1021 265 97 ARG HD2 H 2.494 0.02 2 1022 265 97 ARG HD3 H 2.777 0.02 2 1023 265 97 ARG HE H 6.497 0.02 1 1024 265 97 ARG C C 173.726 0.4 1 1025 265 97 ARG CA C 54.912 0.4 1 1026 265 97 ARG CB C 34.27 0.4 1 1027 265 97 ARG CG C 28.212 0.4 1 1028 265 97 ARG CD C 43.158 0.4 1 1029 265 97 ARG N N 128.124 0.1 1 1030 266 98 ASN H H 9.036 0.02 1 1031 266 98 ASN HA H 3.978 0.02 1 1032 266 98 ASN HB2 H 2.793 0.02 2 1033 266 98 ASN HB3 H 3.464 0.02 2 1034 266 98 ASN HD21 H 6.521 0.02 2 1035 266 98 ASN HD22 H 7.371 0.02 2 1036 266 98 ASN C C 175.765 0.4 1 1037 266 98 ASN CA C 51.133 0.4 1 1038 266 98 ASN CB C 40.236 0.4 1 1039 266 98 ASN N N 122.936 0.1 1 1040 266 98 ASN ND2 N 107.07 0.1 1 1041 267 99 ASN H H 8.966 0.02 1 1042 267 99 ASN HA H 4.851 0.02 1 1043 267 99 ASN HB2 H 2.51 0.02 2 1044 267 99 ASN HB3 H 3.057 0.02 2 1045 267 99 ASN HD21 H 6.368 0.02 2 1046 267 99 ASN HD22 H 7.735 0.02 2 1047 267 99 ASN C C 175.205 0.4 1 1048 267 99 ASN CA C 52.887 0.4 1 1049 267 99 ASN CB C 38.492 0.4 1 1050 267 99 ASN N N 124.581 0.1 1 1051 267 99 ASN ND2 N 110.54 0.1 1 1052 268 100 ASN H H 8.395 0.02 1 1053 268 100 ASN HA H 4.869 0.02 1 1054 268 100 ASN HB2 H 2.35 0.02 2 1055 268 100 ASN HB3 H 2.962 0.02 2 1056 268 100 ASN HD21 H 6.782 0.02 2 1057 268 100 ASN HD22 H 7.123 0.02 2 1058 268 100 ASN C C 173.039 0.4 1 1059 268 100 ASN CA C 52.323 0.4 1 1060 268 100 ASN CB C 39.018 0.4 1 1061 268 100 ASN N N 120.805 0.1 1 1062 268 100 ASN ND2 N 111.25 0.1 1 1063 269 101 PHE H H 7.847 0.02 1 1064 269 101 PHE HA H 4.325 0.02 1 1065 269 101 PHE HB2 H 2.716 0.02 2 1066 269 101 PHE HB3 H 2.87 0.02 2 1067 269 101 PHE HD1 H 6.993 0.02 1 1068 269 101 PHE HD2 H 6.993 0.02 1 1069 269 101 PHE HE1 H 7.166 0.02 1 1070 269 101 PHE HE2 H 7.166 0.02 1 1071 269 101 PHE HZ H 7.268 0.02 1 1072 269 101 PHE C C 174.463 0.4 1 1073 269 101 PHE CA C 57.637 0.4 1 1074 269 101 PHE CB C 39.974 0.4 1 1075 269 101 PHE CD1 C 131.64 0.4 1 1076 269 101 PHE CD2 C 131.64 0.4 1 1077 269 101 PHE N N 121.793 0.1 1 1078 270 102 ALA H H 8.241 0.02 1 1079 270 102 ALA HA H 4.326 0.02 1 1080 270 102 ALA HB H 1.056 0.02 1 1081 270 102 ALA C C 173.876 0.4 1 1082 270 102 ALA CA C 50.17 0.4 1 1083 270 102 ALA CB C 18.7 0.4 1 1084 270 102 ALA N N 131.385 0.1 1 1085 271 103 PRO HA H 4.186 0.02 1 1086 271 103 PRO HB2 H 1.829 0.02 2 1087 271 103 PRO HB3 H 2.127 0.02 2 1088 271 103 PRO HG2 H 1.824 0.02 1 1089 271 103 PRO HG3 H 1.824 0.02 1 1090 271 103 PRO HD2 H 3.036 0.02 2 1091 271 103 PRO HD3 H 3.315 0.02 2 1092 271 103 PRO C C 177.867 0.4 1 1093 271 103 PRO CA C 63.382 0.4 1 1094 271 103 PRO CB C 31.852 0.4 1 1095 271 103 PRO CG C 27.424 0.4 1 1096 271 103 PRO CD C 50.109 0.4 1 1097 272 104 GLY H H 8.397 0.02 1 1098 272 104 GLY HA2 H 3.862 0.02 1 1099 272 104 GLY HA3 H 3.862 0.02 1 1100 272 104 GLY C C 174.204 0.4 1 1101 272 104 GLY CA C 45.129 0.4 1 1102 272 104 GLY N N 109.218 0.1 1 1103 273 105 ALA H H 8.086 0.02 1 1104 273 105 ALA HA H 4.219 0.02 1 1105 273 105 ALA HB H 1.298 0.02 1 1106 273 105 ALA C C 178.317 0.4 1 1107 273 105 ALA CA C 52.74 0.4 1 1108 273 105 ALA CB C 19.173 0.4 1 1109 273 105 ALA N N 123.756 0.1 1 1110 274 106 GLY H H 8.352 0.02 1 1111 274 106 GLY HA2 H 3.858 0.02 1 1112 274 106 GLY HA3 H 3.858 0.02 1 1113 274 106 GLY C C 173.947 0.4 1 1114 274 106 GLY CA C 45.132 0.4 1 1115 274 106 GLY N N 107.978 0.1 1 1116 275 107 ALA H H 8.01 0.02 1 1117 275 107 ALA HA H 4.303 0.02 1 1118 275 107 ALA HB H 1.351 0.02 1 1119 275 107 ALA C C 177.824 0.4 1 1120 275 107 ALA CA C 52.408 0.4 1 1121 275 107 ALA CB C 19.623 0.4 1 1122 275 107 ALA N N 123.736 0.1 1 1123 276 108 VAL H H 8.039 0.02 1 1124 276 108 VAL HA H 4.071 0.02 1 1125 276 108 VAL HB H 2.027 0.02 1 1126 276 108 VAL HG1 H 0.904 0.02 2 1127 276 108 VAL HG2 H 0.901 0.02 2 1128 276 108 VAL C C 176.118 0.4 1 1129 276 108 VAL CA C 62.014 0.4 1 1130 276 108 VAL CB C 32.825 0.4 1 1131 276 108 VAL CG1 C 20.546 0.4 2 1132 276 108 VAL CG2 C 21.185 0.4 2 1133 276 108 VAL N N 119.188 0.1 1 1134 277 109 ALA H H 8.406 0.02 1 1135 277 109 ALA HA H 4.37 0.02 1 1136 277 109 ALA HB H 1.363 0.02 1 1137 277 109 ALA C C 177.951 0.4 1 1138 277 109 ALA CA C 52.422 0.4 1 1139 277 109 ALA CB C 19.528 0.4 1 1140 277 109 ALA N N 127.967 0.1 1 1141 278 110 THR H H 8.136 0.02 1 1142 278 110 THR HA H 4.304 0.02 1 1143 278 110 THR HB H 4.218 0.02 1 1144 278 110 THR HG2 H 1.183 0.02 1 1145 278 110 THR C C 175.311 0.4 1 1146 278 110 THR CA C 61.8 0.4 1 1147 278 110 THR CB C 69.793 0.4 1 1148 278 110 THR CG2 C 21.563 0.4 1 1149 278 110 THR N N 113.394 0.1 1 1150 279 111 GLY H H 8.414 0.02 1 1151 279 111 GLY HA2 H 3.992 0.02 1 1152 279 111 GLY HA3 H 3.992 0.02 1 1153 279 111 GLY C C 174.405 0.4 1 1154 279 111 GLY CA C 45.258 0.4 1 1155 279 111 GLY N N 111.234 0.1 1 1156 280 112 THR H H 8.066 0.02 1 1157 280 112 THR HA H 4.302 0.02 1 1158 280 112 THR HB H 4.175 0.02 1 1159 280 112 THR HG2 H 1.156 0.02 1 1160 280 112 THR C C 174.289 0.4 1 1161 280 112 THR CA C 61.609 0.4 1 1162 280 112 THR CB C 69.791 0.4 1 1163 280 112 THR CG2 C 21.577 0.4 1 1164 280 112 THR N N 113.935 0.1 1 1165 281 113 ALA H H 8.344 0.02 1 1166 281 113 ALA HA H 4.337 0.02 1 1167 281 113 ALA HB H 1.348 0.02 1 1168 281 113 ALA C C 177.427 0.4 1 1169 281 113 ALA CA C 52.31 0.4 1 1170 281 113 ALA CB C 19.694 0.4 1 1171 281 113 ALA N N 126.773 0.1 1 1172 282 114 SER H H 8.319 0.02 1 1173 282 114 SER HA H 4.701 0.02 1 1174 282 114 SER HB2 H 3.834 0.02 1 1175 282 114 SER HB3 H 3.834 0.02 1 1176 282 114 SER C C 173.168 0.4 1 1177 282 114 SER CA C 56.243 0.4 1 1178 282 114 SER CB C 63.36 0.4 1 1179 282 114 SER N N 116.938 0.1 1 1180 283 115 PRO HA H 4.388 0.02 1 1181 283 115 PRO HB2 H 1.887 0.02 2 1182 283 115 PRO HB3 H 2.251 0.02 2 1183 283 115 PRO HG2 H 1.975 0.02 1 1184 283 115 PRO HG3 H 1.975 0.02 1 1185 283 115 PRO HD2 H 3.714 0.02 2 1186 283 115 PRO HD3 H 3.769 0.02 2 1187 283 115 PRO C C 176.618 0.4 1 1188 283 115 PRO CA C 63.552 0.4 1 1189 283 115 PRO CB C 32.112 0.4 1 1190 283 115 PRO CG C 27.33 0.4 1 1191 283 115 PRO CD C 50.814 0.4 1 1192 284 116 ASP H H 8.331 0.02 1 1193 284 116 ASP HA H 4.578 0.02 1 1194 284 116 ASP HB2 H 2.54 0.02 2 1195 284 116 ASP HB3 H 2.685 0.02 2 1196 284 116 ASP C C 176.48 0.4 1 1197 284 116 ASP CA C 54.262 0.4 1 1198 284 116 ASP CB C 41.171 0.4 1 1199 284 116 ASP N N 120.152 0.1 1 1200 285 117 VAL H H 7.953 0.02 1 1201 285 117 VAL HA H 4.062 0.02 1 1202 285 117 VAL HB H 2.098 0.02 1 1203 285 117 VAL HG1 H 0.899 0.02 2 1204 285 117 VAL HG2 H 0.894 0.02 2 1205 285 117 VAL C C 176.195 0.4 1 1206 285 117 VAL CA C 62.253 0.4 1 1207 285 117 VAL CB C 32.533 0.4 1 1208 285 117 VAL CG1 C 20.549 0.4 2 1209 285 117 VAL CG2 C 21.184 0.4 2 1210 285 117 VAL N N 120.568 0.1 1 1211 286 118 ARG H H 8.311 0.02 1 1212 286 118 ARG HA H 4.27 0.02 1 1213 286 118 ARG HB2 H 1.738 0.02 1 1214 286 118 ARG HB3 H 1.738 0.02 1 1215 286 118 ARG HG2 H 1.573 0.02 1 1216 286 118 ARG HG3 H 1.573 0.02 1 1217 286 118 ARG HD2 H 3.128 0.02 1 1218 286 118 ARG HD3 H 3.128 0.02 1 1219 286 118 ARG C C 176.282 0.4 1 1220 286 118 ARG CA C 56.211 0.4 1 1221 286 118 ARG CB C 30.754 0.4 1 1222 286 118 ARG CG C 28.668 0.4 1 1223 286 118 ARG CD C 43.235 0.4 1 1224 286 118 ARG N N 124.245 0.1 1 1225 287 119 ARG H H 8.298 0.02 1 1226 287 119 ARG HA H 4.331 0.02 1 1227 287 119 ARG HB2 H 1.79 0.02 1 1228 287 119 ARG HB3 H 1.79 0.02 1 1229 287 119 ARG HG2 H 1.582 0.02 1 1230 287 119 ARG HG3 H 1.582 0.02 1 1231 287 119 ARG HD2 H 3.148 0.02 1 1232 287 119 ARG HD3 H 3.148 0.02 1 1233 287 119 ARG C C 176.212 0.4 1 1234 287 119 ARG CA C 55.992 0.4 1 1235 287 119 ARG CB C 30.756 0.4 1 1236 287 119 ARG CG C 28.666 0.4 1 1237 287 119 ARG CD C 43.241 0.4 1 1238 287 119 ARG N N 122.807 0.1 1 1239 288 120 VAL H H 8.138 0.02 1 1240 288 120 VAL HA H 4.063 0.02 1 1241 288 120 VAL HB H 2.022 0.02 1 1242 288 120 VAL HG1 H 0.895 0.02 2 1243 288 120 VAL HG2 H 0.889 0.02 2 1244 288 120 VAL C C 175.983 0.4 1 1245 288 120 VAL CA C 62.168 0.4 1 1246 288 120 VAL CB C 32.824 0.4 1 1247 288 120 VAL CG1 C 20.544 0.4 2 1248 288 120 VAL CG2 C 21.193 0.4 2 1249 288 120 VAL N N 121.669 0.1 1 1250 289 121 GLN H H 8.47 0.02 1 1251 289 121 GLN HA H 4.354 0.02 1 1252 289 121 GLN HB2 H 1.933 0.02 2 1253 289 121 GLN HB3 H 2.038 0.02 2 1254 289 121 GLN C C 175.716 0.4 1 1255 289 121 GLN CA C 55.423 0.4 1 1256 289 121 GLN CB C 29.457 0.4 1 1257 289 121 GLN N N 124.626 0.1 1 1258 290 122 ILE H H 8.284 0.02 1 1259 290 122 ILE HA H 4.131 0.02 1 1260 290 122 ILE HB H 1.833 0.02 1 1261 290 122 ILE HG12 H 1.151 0.02 2 1262 290 122 ILE HG13 H 1.443 0.02 2 1263 290 122 ILE HG2 H 0.883 0.02 1 1264 290 122 ILE HD1 H 0.821 0.02 1 1265 290 122 ILE C C 176.722 0.4 1 1266 290 122 ILE CA C 61.32 0.4 1 1267 290 122 ILE CB C 38.75 0.4 1 1268 290 122 ILE CG1 C 27.357 0.4 1 1269 290 122 ILE CG2 C 17.478 0.4 1 1270 290 122 ILE CD1 C 12.931 0.4 1 1271 290 122 ILE N N 122.988 0.1 1 1272 291 123 GLY H H 8.49 0.02 1 1273 291 123 GLY HA2 H 3.971 0.02 1 1274 291 123 GLY HA3 H 3.971 0.02 1 1275 291 123 GLY C C 174.08 0.4 1 1276 291 123 GLY CA C 45.196 0.4 1 1277 291 123 GLY N N 113.362 0.1 1 1278 292 124 GLU H H 8.247 0.02 1 1279 292 124 GLU HA H 4.31 0.02 1 1280 292 124 GLU HB2 H 1.871 0.02 2 1281 292 124 GLU HB3 H 2.06 0.02 2 1282 292 124 GLU HG2 H 2.212 0.02 1 1283 292 124 GLU HG3 H 2.212 0.02 1 1284 292 124 GLU C C 176.158 0.4 1 1285 292 124 GLU CA C 56.165 0.4 1 1286 292 124 GLU CB C 30.643 0.4 1 1287 292 124 GLU CG C 36.324 0.4 1 1288 292 124 GLU N N 120.434 0.1 1 1289 293 125 ASP H H 8.445 0.02 1 1290 293 125 ASP HA H 4.617 0.02 1 1291 293 125 ASP HB2 H 2.545 0.02 2 1292 293 125 ASP HB3 H 2.689 0.02 2 1293 293 125 ASP C C 175.109 0.4 1 1294 293 125 ASP CA C 54.261 0.4 1 1295 293 125 ASP CB C 41.178 0.4 1 1296 293 125 ASP N N 121.416 0.1 1 1297 294 126 ASN H H 7.932 0.02 1 1298 294 126 ASN HA H 4.417 0.02 1 1299 294 126 ASN HB2 H 2.633 0.02 2 1300 294 126 ASN HB3 H 2.712 0.02 2 1301 294 126 ASN C C 179.578 0.4 1 1302 294 126 ASN CA C 54.763 0.4 1 1303 294 126 ASN CB C 40.641 0.4 1 1304 294 126 ASN N N 124.221 0.1 1 stop_ save_