data_17485 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Pf1 SID1-mSin3A PAH2 Complex ; _BMRB_accession_number 17485 _BMRB_flat_file_name bmr17485.str _Entry_type original _Submission_date 2011-02-23 _Accession_date 2011-02-23 _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 'Senthil Kumar' Ganesan . . 2 Xie Tao . . 3 Zhang Yongbo . . 4 Radhakrishnan Ishwar . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 726 "13C chemical shifts" 545 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-13 update BMRB 'update entry citation' 2011-03-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the mSin3A PAH2-Pf1 SID1 Complex: A Mad1/Mxd1-Like Interaction Disrupted by MRG15 in the Rpd3S/Sin3S Complex.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21440557 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumar 'Ganesan Senthil' . . 2 Xie Tao . . 3 Zhang Yongbo . . 4 Radhakrishnan Ishwar . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 408 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 987 _Page_last 1000 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'mSin3A PAH2-Pf1 SID1 Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 4993.651 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; SNADYVQPQLRRPFELLIAA AMERNPTQFQLPNELTCTTA LPGSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 197 SER 2 198 ASN 3 199 ALA 4 200 ASP 5 201 TYR 6 202 VAL 7 203 GLN 8 204 PRO 9 205 GLN 10 206 LEU 11 207 ARG 12 208 ARG 13 209 PRO 14 210 PHE 15 211 GLU 16 212 LEU 17 213 LEU 18 214 ILE 19 215 ALA 20 216 ALA 21 217 ALA 22 218 MET 23 219 GLU 24 220 ARG 25 221 ASN 26 222 PRO 27 223 THR 28 224 GLN 29 225 PHE 30 226 GLN 31 227 LEU 32 228 PRO 33 229 ASN 34 230 GLU 35 231 LEU 36 232 THR 37 233 CYS 38 234 THR 39 235 THR 40 236 ALA 41 237 LEU 42 238 PRO 43 239 GLY 44 240 SER 45 241 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 18000 Pf1 93.33 42 100.00 100.00 5.72e-21 PDB 2L9S "Solution Structure Of Pf1 Sid1-Msin3a Pah2 Complex" 100.00 45 100.00 100.00 4.12e-23 PDB 2LKM "Structural Basis For Molecular Interactions Involving Mrg Domains: Implications In Chromatin Biology" 93.33 42 100.00 100.00 5.72e-21 DBJ BAD18713 "FLJ00295 protein [Homo sapiens]" 93.33 770 100.00 100.00 7.18e-19 DBJ BAE00370 "unnamed protein product [Macaca fascicularis]" 53.33 529 100.00 100.00 4.43e-06 DBJ BAE24837 "unnamed protein product [Mus musculus]" 93.33 704 100.00 100.00 6.54e-19 DBJ BAE33212 "unnamed protein product [Mus musculus]" 93.33 1003 100.00 100.00 8.92e-19 DBJ BAE41602 "unnamed protein product [Mus musculus]" 93.33 827 100.00 100.00 8.24e-19 GB AAH01657 "PHF12 protein, partial [Homo sapiens]" 93.33 487 100.00 100.00 3.04e-19 GB AAH43080 "PHD finger protein 12 [Mus musculus]" 93.33 999 100.00 100.00 8.90e-19 GB AAI10883 "PHF12 protein [Homo sapiens]" 93.33 849 100.00 100.00 7.95e-19 GB AAI21044 "PHD finger protein 12 [Homo sapiens]" 93.33 704 100.00 100.00 6.41e-19 GB AAI21045 "PHD finger protein 12 [Homo sapiens]" 93.33 704 100.00 100.00 6.41e-19 REF NP_001013135 "PHD finger protein 12 [Rattus norvegicus]" 93.33 1004 100.00 100.00 9.28e-19 REF NP_001028733 "PHD finger protein 12 isoform 1 [Homo sapiens]" 93.33 1004 100.00 100.00 9.10e-19 REF NP_001179060 "PHD finger protein 12 [Bos taurus]" 93.33 1004 100.00 100.00 1.03e-18 REF NP_001253214 "PHD finger protein 12 [Macaca mulatta]" 93.33 1004 100.00 100.00 9.84e-19 REF NP_001277060 "PHD finger protein 12 isoform 3 [Homo sapiens]" 93.33 849 100.00 100.00 7.95e-19 SP Q5SPL2 "RecName: Full=PHD finger protein 12; AltName: Full=PHD factor 1; Short=Pf1" 93.33 1003 100.00 100.00 8.92e-19 SP Q96QT6 "RecName: Full=PHD finger protein 12; AltName: Full=PHD factor 1; Short=Pf1" 93.33 1004 100.00 100.00 9.10e-19 TPG DAA18992 "TPA: PHD finger protein 12 [Bos taurus]" 93.33 1004 100.00 100.00 1.03e-18 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 10816.996 _Mol_thiol_state . _Details . _Residue_count 94 _Mol_residue_sequence ; SNASLQNNQPVEFNHAINYV NKIKNRFQGQPDIYKAFLEI LHTYQKEQRNAKEAGGNYTP ALTEQEVYAQVARLFKNQED LLSEFGQFLPDANS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 292 SER 2 293 ASN 3 294 ALA 4 295 SER 5 296 LEU 6 297 GLN 7 298 ASN 8 299 ASN 9 300 GLN 10 301 PRO 11 302 VAL 12 303 GLU 13 304 PHE 14 305 ASN 15 306 HIS 16 307 ALA 17 308 ILE 18 309 ASN 19 310 TYR 20 311 VAL 21 312 ASN 22 313 LYS 23 314 ILE 24 315 LYS 25 316 ASN 26 317 ARG 27 318 PHE 28 319 GLN 29 320 GLY 30 321 GLN 31 322 PRO 32 323 ASP 33 324 ILE 34 325 TYR 35 326 LYS 36 327 ALA 37 328 PHE 38 329 LEU 39 330 GLU 40 331 ILE 41 332 LEU 42 333 HIS 43 334 THR 44 335 TYR 45 336 GLN 46 337 LYS 47 338 GLU 48 339 GLN 49 340 ARG 50 341 ASN 51 342 ALA 52 343 LYS 53 344 GLU 54 345 ALA 55 346 GLY 56 347 GLY 57 348 ASN 58 349 TYR 59 350 THR 60 351 PRO 61 352 ALA 62 353 LEU 63 354 THR 64 355 GLU 65 356 GLN 66 357 GLU 67 358 VAL 68 359 TYR 69 360 ALA 70 361 GLN 71 362 VAL 72 363 ALA 73 364 ARG 74 365 LEU 75 366 PHE 76 367 LYS 77 368 ASN 78 369 GLN 79 370 GLU 80 371 ASP 81 372 LEU 82 373 LEU 83 374 SER 84 375 GLU 85 376 PHE 86 377 GLY 87 378 GLN 88 379 PHE 89 380 LEU 90 381 PRO 91 382 ASP 92 383 ALA 93 384 ASN 94 385 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 4635 SIN3A 94.68 89 100.00 100.00 4.00e-57 PDB 1G1E "Nmr Structure Of The Human Mad1 Transrepression Domain Sid In Complex With Mammalian Sin3a Pah2 Domain" 94.68 89 100.00 100.00 4.00e-57 PDB 1S5Q "Solution Structure Of Mad1 Sid-Msin3a Pah2 Complex" 94.68 89 100.00 100.00 4.00e-57 PDB 1S5R "Solution Structure Of Hbp1 Sid-Msin3a Pah2 Complex" 94.68 89 100.00 100.00 4.00e-57 PDB 2L9S "Solution Structure Of Pf1 Sid1-Msin3a Pah2 Complex" 100.00 94 100.00 100.00 1.15e-60 GB AAK95854 "transcriptional co-repressor Sin3A [Homo sapiens]" 96.81 621 100.00 100.00 4.68e-55 REF XP_004660420 "PREDICTED: paired amphipathic helix protein Sin3a [Jaculus jaculus]" 96.81 1240 100.00 100.00 1.54e-53 REF XP_005994973 "PREDICTED: paired amphipathic helix protein Sin3a [Latimeria chalumnae]" 95.74 1097 100.00 100.00 4.97e-53 REF XP_007239639 "PREDICTED: paired amphipathic helix protein Sin3a-like [Astyanax mexicanus]" 53.19 851 98.00 100.00 9.06e-23 REF XP_009197516 "PREDICTED: paired amphipathic helix protein Sin3a [Papio anubis]" 96.81 1123 100.00 100.00 1.40e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $entity_1 'recombinant technology' . Escherichia coli 'BL21 DE3' pMCSG7 $entity_2 'recombinant technology' . Escherichia coli 'BL21 DE3' pMCSG21 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 . mM 0.75 1.7 '[U-100% 13C; U-100% 15N]' $entity_2 . mM 0.75 1.7 '[U-100% 13C; U-100% 15N]' H2O 90 % . . '[U-100% 13C; U-100% 15N]' D2O 10 % . . '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.00 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 293 2 ASN HA H 4.63 0.03 1 2 293 2 ASN HB2 H 2.73 0.03 2 3 293 2 ASN HB3 H 2.80 0.03 2 4 293 2 ASN C C 175.05 0.20 1 5 293 2 ASN CA C 53.74 0.20 1 6 293 2 ASN CB C 38.80 0.20 1 7 294 3 ALA H H 8.41 0.03 1 8 294 3 ALA HA H 4.26 0.03 1 9 294 3 ALA HB H 1.38 0.03 1 10 294 3 ALA C C 177.97 0.20 1 11 294 3 ALA CA C 53.29 0.20 1 12 294 3 ALA CB C 19.36 0.20 1 13 294 3 ALA N N 124.89 0.30 1 14 295 4 SER H H 8.24 0.03 1 15 295 4 SER HA H 4.37 0.03 1 16 295 4 SER HB3 H 3.88 0.03 2 17 295 4 SER C C 174.92 0.20 1 18 295 4 SER CA C 59.03 0.20 1 19 295 4 SER CB C 63.65 0.20 1 20 295 4 SER N N 114.71 0.30 1 21 296 5 LEU H H 8.07 0.03 1 22 296 5 LEU HA H 4.27 0.03 1 23 296 5 LEU HB2 H 1.48 0.03 2 24 296 5 LEU HB3 H 1.60 0.03 2 25 296 5 LEU HG H 1.60 0.03 1 26 296 5 LEU HD1 H 0.87 0.03 2 27 296 5 LEU HD2 H 0.83 0.03 2 28 296 5 LEU C C 177.56 0.20 1 29 296 5 LEU CA C 55.96 0.20 1 30 296 5 LEU CB C 42.27 0.20 1 31 296 5 LEU CG C 27.20 0.20 1 32 296 5 LEU CD1 C 25.25 0.20 2 33 296 5 LEU CD2 C 23.64 0.20 2 34 296 5 LEU N N 123.52 0.30 1 35 297 6 GLN H H 8.15 0.03 1 36 297 6 GLN HA H 4.12 0.03 1 37 297 6 GLN HB2 H 1.83 0.03 2 38 297 6 GLN HB3 H 1.99 0.03 2 39 297 6 GLN HG3 H 2.27 0.03 2 40 297 6 GLN C C 175.82 0.20 1 41 297 6 GLN CA C 56.56 0.20 1 42 297 6 GLN CB C 29.28 0.20 1 43 297 6 GLN CG C 33.94 0.20 1 44 297 6 GLN N N 119.64 0.30 1 45 298 7 ASN H H 8.23 0.03 1 46 298 7 ASN HA H 4.75 0.03 1 47 298 7 ASN HB2 H 2.78 0.03 2 48 298 7 ASN HB3 H 2.85 0.03 2 49 298 7 ASN C C 175.12 0.20 1 50 298 7 ASN CA C 53.71 0.20 1 51 298 7 ASN CB C 38.99 0.20 1 52 298 7 ASN N N 118.46 0.30 1 53 299 8 ASN H H 8.31 0.03 1 54 299 8 ASN HA H 4.75 0.03 1 55 299 8 ASN HB2 H 2.79 0.03 2 56 299 8 ASN HB3 H 2.85 0.03 2 57 299 8 ASN C C 175.01 0.20 1 58 299 8 ASN CA C 53.61 0.20 1 59 299 8 ASN CB C 39.13 0.20 1 60 299 8 ASN N N 118.28 0.30 1 61 300 9 GLN H H 8.19 0.03 1 62 300 9 GLN HA H 4.67 0.03 1 63 300 9 GLN HB2 H 1.97 0.03 2 64 300 9 GLN HB3 H 2.20 0.03 2 65 300 9 GLN HG2 H 2.25 0.03 2 66 300 9 GLN HG3 H 2.37 0.03 2 67 300 9 GLN CA C 54.66 0.20 1 68 300 9 GLN CB C 29.70 0.20 1 69 300 9 GLN CG C 34.41 0.20 1 70 300 9 GLN N N 120.15 0.30 1 71 301 10 PRO HA H 4.49 0.03 1 72 301 10 PRO HB2 H 2.00 0.03 2 73 301 10 PRO HB3 H 2.39 0.03 2 74 301 10 PRO HG3 H 2.06 0.03 2 75 301 10 PRO HD2 H 3.66 0.03 2 76 301 10 PRO HD3 H 3.68 0.03 2 77 301 10 PRO C C 178.17 0.20 1 78 301 10 PRO CA C 64.31 0.20 1 79 301 10 PRO CB C 32.06 0.20 1 80 301 10 PRO CG C 27.92 0.20 1 81 301 10 PRO CD C 50.72 0.20 1 82 302 11 VAL H H 8.23 0.03 1 83 302 11 VAL HA H 3.89 0.03 1 84 302 11 VAL HB H 2.07 0.03 1 85 302 11 VAL HG1 H 0.99 0.03 2 86 302 11 VAL HG2 H 0.92 0.03 2 87 302 11 VAL C C 177.73 0.20 1 88 302 11 VAL CA C 65.25 0.20 1 89 302 11 VAL CB C 32.17 0.20 1 90 302 11 VAL CG1 C 21.95 0.20 2 91 302 11 VAL CG2 C 21.60 0.20 2 92 302 11 VAL N N 120.96 0.30 1 93 303 12 GLU H H 8.98 0.03 1 94 303 12 GLU HA H 4.42 0.03 1 95 303 12 GLU HB2 H 2.07 0.03 2 96 303 12 GLU HB3 H 2.16 0.03 2 97 303 12 GLU HG3 H 2.38 0.03 2 98 303 12 GLU C C 178.55 0.20 1 99 303 12 GLU CA C 58.37 0.20 1 100 303 12 GLU CB C 30.35 0.20 1 101 303 12 GLU CG C 37.01 0.20 1 102 303 12 GLU N N 122.16 0.30 1 103 304 13 PHE H H 8.78 0.03 1 104 304 13 PHE HA H 4.35 0.03 1 105 304 13 PHE HB2 H 3.15 0.03 2 106 304 13 PHE HB3 H 3.20 0.03 2 107 304 13 PHE HD1 H 7.19 0.03 3 108 304 13 PHE HE1 H 7.24 0.03 3 109 304 13 PHE HZ H 6.82 0.03 1 110 304 13 PHE C C 176.78 0.20 1 111 304 13 PHE CA C 61.20 0.20 1 112 304 13 PHE CB C 39.43 0.20 1 113 304 13 PHE N N 121.53 0.30 1 114 305 14 ASN H H 8.38 0.03 1 115 305 14 ASN HA H 4.37 0.03 1 116 305 14 ASN HB2 H 2.81 0.03 2 117 305 14 ASN HB3 H 2.93 0.03 2 118 305 14 ASN C C 177.43 0.20 1 119 305 14 ASN CA C 56.39 0.20 1 120 305 14 ASN CB C 38.11 0.20 1 121 305 14 ASN N N 116.93 0.30 1 122 306 15 HIS H H 8.09 0.03 1 123 306 15 HIS HA H 4.70 0.03 1 124 306 15 HIS HB2 H 3.46 0.03 2 125 306 15 HIS HB3 H 3.57 0.03 2 126 306 15 HIS HD2 H 7.46 0.03 1 127 306 15 HIS C C 177.40 0.20 1 128 306 15 HIS CA C 58.04 0.20 1 129 306 15 HIS CB C 29.44 0.20 1 130 306 15 HIS N N 118.70 0.30 1 131 307 16 ALA H H 8.06 0.03 1 132 307 16 ALA HA H 3.99 0.03 1 133 307 16 ALA HB H 1.38 0.03 1 134 307 16 ALA C C 178.22 0.20 1 135 307 16 ALA CA C 55.98 0.20 1 136 307 16 ALA CB C 18.43 0.20 1 137 307 16 ALA N N 122.75 0.30 1 138 308 17 ILE H H 8.05 0.03 1 139 308 17 ILE HA H 3.43 0.03 1 140 308 17 ILE HB H 1.85 0.03 1 141 308 17 ILE HG12 H 1.24 0.03 2 142 308 17 ILE HG13 H 0.78 0.03 2 143 308 17 ILE HG2 H 0.80 0.03 1 144 308 17 ILE HD1 H 0.62 0.03 1 145 308 17 ILE C C 177.92 0.20 1 146 308 17 ILE CA C 64.45 0.20 1 147 308 17 ILE CB C 37.73 0.20 1 148 308 17 ILE CG1 C 28.36 0.20 1 149 308 17 ILE CG2 C 17.09 0.20 1 150 308 17 ILE CD1 C 12.65 0.20 1 151 308 17 ILE N N 118.28 0.30 1 152 309 18 ASN H H 8.10 0.03 1 153 309 18 ASN HA H 4.43 0.03 1 154 309 18 ASN HB2 H 2.89 0.03 2 155 309 18 ASN HB3 H 3.06 0.03 2 156 309 18 ASN C C 178.14 0.20 1 157 309 18 ASN CA C 56.32 0.20 1 158 309 18 ASN CB C 38.26 0.20 1 159 309 18 ASN N N 117.97 0.30 1 160 310 19 TYR H H 8.53 0.03 1 161 310 19 TYR HA H 4.41 0.03 1 162 310 19 TYR HB2 H 2.93 0.03 2 163 310 19 TYR HB3 H 3.31 0.03 2 164 310 19 TYR HD2 H 6.95 0.03 3 165 310 19 TYR HE2 H 6.82 0.03 3 166 310 19 TYR C C 176.76 0.20 1 167 310 19 TYR CA C 61.41 0.20 1 168 310 19 TYR CB C 38.97 0.20 1 169 310 19 TYR N N 122.65 0.30 1 170 311 20 VAL H H 8.36 0.03 1 171 311 20 VAL HA H 3.42 0.03 1 172 311 20 VAL HB H 2.20 0.03 1 173 311 20 VAL HG1 H 1.07 0.03 2 174 311 20 VAL HG2 H 1.08 0.03 2 175 311 20 VAL C C 178.03 0.20 1 176 311 20 VAL CA C 67.50 0.20 1 177 311 20 VAL CB C 31.28 0.20 1 178 311 20 VAL CG1 C 23.84 0.20 2 179 311 20 VAL CG2 C 22.62 0.20 2 180 311 20 VAL N N 118.51 0.30 1 181 312 21 ASN H H 8.10 0.03 1 182 312 21 ASN HA H 4.34 0.03 1 183 312 21 ASN HB2 H 2.66 0.03 2 184 312 21 ASN HB3 H 2.73 0.03 2 185 312 21 ASN C C 177.30 0.20 1 186 312 21 ASN CA C 56.13 0.20 1 187 312 21 ASN CB C 38.85 0.20 1 188 312 21 ASN N N 117.51 0.30 1 189 313 22 LYS H H 7.99 0.03 1 190 313 22 LYS HA H 3.98 0.03 1 191 313 22 LYS HB2 H 1.89 0.03 2 192 313 22 LYS HB3 H 1.96 0.03 2 193 313 22 LYS HG2 H 1.15 0.03 2 194 313 22 LYS HG3 H 1.57 0.03 2 195 313 22 LYS HD3 H 1.68 0.03 2 196 313 22 LYS HE2 H 2.82 0.03 2 197 313 22 LYS HE3 H 2.94 0.03 2 198 313 22 LYS C C 179.40 0.20 1 199 313 22 LYS CA C 60.17 0.20 1 200 313 22 LYS CB C 32.59 0.20 1 201 313 22 LYS CG C 25.34 0.20 1 202 313 22 LYS CD C 30.18 0.20 1 203 313 22 LYS CE C 42.04 0.20 1 204 313 22 LYS N N 123.13 0.30 1 205 314 23 ILE H H 7.81 0.03 1 206 314 23 ILE HA H 3.16 0.03 1 207 314 23 ILE HB H 1.85 0.03 1 208 314 23 ILE HG12 H 1.03 0.03 2 209 314 23 ILE HG13 H 0.40 0.03 2 210 314 23 ILE HG2 H 0.81 0.03 1 211 314 23 ILE HD1 H -0.02 0.03 1 212 314 23 ILE C C 177.20 0.20 1 213 314 23 ILE CA C 65.41 0.20 1 214 314 23 ILE CB C 38.10 0.20 1 215 314 23 ILE CG1 C 28.68 0.20 1 216 314 23 ILE CG2 C 18.67 0.20 1 217 314 23 ILE CD1 C 14.16 0.20 1 218 314 23 ILE N N 120.53 0.30 1 219 315 24 LYS H H 8.04 0.03 1 220 315 24 LYS HA H 3.07 0.03 1 221 315 24 LYS HB2 H 1.38 0.03 2 222 315 24 LYS HB3 H 1.62 0.03 2 223 315 24 LYS HG2 H 0.75 0.03 2 224 315 24 LYS HG3 H 0.79 0.03 2 225 315 24 LYS HD3 H 1.46 0.03 2 226 315 24 LYS HE3 H 2.83 0.03 2 227 315 24 LYS C C 179.44 0.20 1 228 315 24 LYS CA C 59.96 0.20 1 229 315 24 LYS CB C 32.40 0.20 1 230 315 24 LYS CG C 25.15 0.20 1 231 315 24 LYS CD C 29.50 0.20 1 232 315 24 LYS CE C 42.04 0.20 1 233 315 24 LYS N N 119.25 0.30 1 234 316 25 ASN H H 7.89 0.03 1 235 316 25 ASN HA H 4.33 0.03 1 236 316 25 ASN HB2 H 2.66 0.03 2 237 316 25 ASN HB3 H 2.74 0.03 2 238 316 25 ASN C C 178.09 0.20 1 239 316 25 ASN CA C 56.04 0.20 1 240 316 25 ASN CB C 39.01 0.20 1 241 316 25 ASN N N 114.65 0.30 1 242 317 26 ARG H H 8.20 0.03 1 243 317 26 ARG HA H 3.84 0.03 1 244 317 26 ARG HB2 H 1.17 0.03 2 245 317 26 ARG HB3 H 1.64 0.03 2 246 317 26 ARG HG2 H 0.49 0.03 2 247 317 26 ARG HG3 H 0.92 0.03 2 248 317 26 ARG HD2 H 3.04 0.03 2 249 317 26 ARG HD3 H 3.11 0.03 2 250 317 26 ARG C C 177.53 0.20 1 251 317 26 ARG CA C 56.47 0.20 1 252 317 26 ARG CB C 27.95 0.20 1 253 317 26 ARG CG C 24.68 0.20 1 254 317 26 ARG CD C 40.01 0.20 1 255 317 26 ARG N N 122.09 0.30 1 256 318 27 PHE H H 7.33 0.03 1 257 318 27 PHE HA H 4.90 0.03 1 258 318 27 PHE HB2 H 2.46 0.03 2 259 318 27 PHE HB3 H 3.90 0.03 2 260 318 27 PHE HD1 H 7.31 0.03 3 261 318 27 PHE HE1 H 6.95 0.03 3 262 318 27 PHE HZ H 6.86 0.03 1 263 318 27 PHE C C 177.05 0.20 1 264 318 27 PHE CA C 57.36 0.20 1 265 318 27 PHE CB C 37.84 0.20 1 266 318 27 PHE N N 113.43 0.30 1 267 319 28 GLN H H 7.20 0.03 1 268 319 28 GLN HA H 4.06 0.03 1 269 319 28 GLN HB2 H 2.08 0.03 2 270 319 28 GLN HB3 H 2.25 0.03 2 271 319 28 GLN HG3 H 2.44 0.03 2 272 319 28 GLN C C 177.25 0.20 1 273 319 28 GLN CA C 59.60 0.20 1 274 319 28 GLN CB C 28.75 0.20 1 275 319 28 GLN CG C 33.69 0.20 1 276 319 28 GLN N N 123.41 0.30 1 277 320 29 GLY H H 8.88 0.03 1 278 320 29 GLY HA2 H 3.83 0.03 2 279 320 29 GLY HA3 H 4.22 0.03 2 280 320 29 GLY C C 173.96 0.20 1 281 320 29 GLY CA C 44.93 0.20 1 282 320 29 GLY N N 106.04 0.30 1 283 321 30 GLN H H 7.72 0.03 1 284 321 30 GLN HA H 4.95 0.03 1 285 321 30 GLN HB2 H 2.18 0.03 2 286 321 30 GLN HB3 H 2.36 0.03 2 287 321 30 GLN HG2 H 2.37 0.03 2 288 321 30 GLN HG3 H 2.47 0.03 2 289 321 30 GLN CA C 54.00 0.20 1 290 321 30 GLN CB C 30.99 0.20 1 291 321 30 GLN CG C 34.29 0.20 1 292 321 30 GLN N N 119.32 0.30 1 293 322 31 PRO HA H 4.48 0.03 1 294 322 31 PRO HB2 H 2.15 0.03 2 295 322 31 PRO HB3 H 2.43 0.03 2 296 322 31 PRO HG2 H 2.07 0.03 2 297 322 31 PRO HG3 H 2.11 0.03 2 298 322 31 PRO HD2 H 3.47 0.03 2 299 322 31 PRO HD3 H 3.76 0.03 2 300 322 31 PRO C C 178.07 0.20 1 301 322 31 PRO CA C 65.37 0.20 1 302 322 31 PRO CB C 31.99 0.20 1 303 322 31 PRO CG C 27.88 0.20 1 304 322 31 PRO CD C 50.73 0.20 1 305 323 32 ASP H H 9.03 0.03 1 306 323 32 ASP HA H 4.39 0.03 1 307 323 32 ASP HB2 H 2.60 0.03 2 308 323 32 ASP HB3 H 2.70 0.03 2 309 323 32 ASP C C 179.15 0.20 1 310 323 32 ASP CA C 57.08 0.20 1 311 323 32 ASP CB C 39.75 0.20 1 312 323 32 ASP N N 117.69 0.30 1 313 324 33 ILE H H 7.97 0.03 1 314 324 33 ILE HA H 3.71 0.03 1 315 324 33 ILE HB H 1.55 0.03 1 316 324 33 ILE HG12 H 1.52 0.03 2 317 324 33 ILE HG13 H 1.18 0.03 2 318 324 33 ILE HG2 H 0.01 0.03 1 319 324 33 ILE HD1 H 0.76 0.03 1 320 324 33 ILE C C 177.32 0.20 1 321 324 33 ILE CA C 64.31 0.20 1 322 324 33 ILE CB C 36.88 0.20 1 323 324 33 ILE CG1 C 28.43 0.20 1 324 324 33 ILE CG2 C 16.00 0.20 1 325 324 33 ILE CD1 C 11.75 0.20 1 326 324 33 ILE N N 122.20 0.30 1 327 325 34 TYR H H 6.90 0.03 1 328 325 34 TYR HA H 4.16 0.03 1 329 325 34 TYR HB2 H 3.11 0.03 2 330 325 34 TYR HB3 H 3.15 0.03 2 331 325 34 TYR HD2 H 7.04 0.03 3 332 325 34 TYR HE2 H 6.78 0.03 3 333 325 34 TYR C C 176.85 0.20 1 334 325 34 TYR CA C 61.48 0.20 1 335 325 34 TYR CB C 38.98 0.20 1 336 325 34 TYR N N 119.26 0.30 1 337 326 35 LYS H H 8.09 0.03 1 338 326 35 LYS HA H 3.71 0.03 1 339 326 35 LYS HB3 H 1.86 0.03 2 340 326 35 LYS HG2 H 1.40 0.03 2 341 326 35 LYS HG3 H 1.58 0.03 2 342 326 35 LYS HD3 H 1.68 0.03 2 343 326 35 LYS HE3 H 2.96 0.03 2 344 326 35 LYS C C 178.49 0.20 1 345 326 35 LYS CA C 60.04 0.20 1 346 326 35 LYS CB C 32.60 0.20 1 347 326 35 LYS CG C 25.54 0.20 1 348 326 35 LYS CD C 29.64 0.20 1 349 326 35 LYS CE C 42.09 0.20 1 350 326 35 LYS N N 116.81 0.30 1 351 327 36 ALA H H 7.80 0.03 1 352 327 36 ALA HA H 4.09 0.03 1 353 327 36 ALA HB H 1.52 0.03 1 354 327 36 ALA C C 179.96 0.20 1 355 327 36 ALA CA C 55.18 0.20 1 356 327 36 ALA CB C 18.37 0.20 1 357 327 36 ALA N N 121.69 0.30 1 358 328 37 PHE H H 8.01 0.03 1 359 328 37 PHE HA H 3.88 0.03 1 360 328 37 PHE HB2 H 3.00 0.03 2 361 328 37 PHE HB3 H 3.40 0.03 2 362 328 37 PHE HD1 H 6.83 0.03 3 363 328 37 PHE HE1 H 6.96 0.03 3 364 328 37 PHE HZ H 7.44 0.03 1 365 328 37 PHE C C 175.79 0.20 1 366 328 37 PHE CA C 61.30 0.20 1 367 328 37 PHE CB C 38.63 0.20 1 368 328 37 PHE N N 120.63 0.30 1 369 329 38 LEU H H 7.86 0.03 1 370 329 38 LEU HA H 3.48 0.03 1 371 329 38 LEU HB2 H 1.09 0.03 2 372 329 38 LEU HB3 H 1.79 0.03 2 373 329 38 LEU HG H 1.42 0.03 1 374 329 38 LEU HD1 H 0.75 0.03 2 375 329 38 LEU HD2 H 0.60 0.03 2 376 329 38 LEU C C 179.13 0.20 1 377 329 38 LEU CA C 57.91 0.20 1 378 329 38 LEU CB C 41.71 0.20 1 379 329 38 LEU CG C 26.23 0.20 1 380 329 38 LEU CD1 C 22.45 0.20 2 381 329 38 LEU CD2 C 26.07 0.20 2 382 329 38 LEU N N 117.14 0.30 1 383 330 39 GLU H H 8.15 0.03 1 384 330 39 GLU HA H 4.09 0.03 1 385 330 39 GLU HB3 H 2.06 0.03 2 386 330 39 GLU HG3 H 2.28 0.03 2 387 330 39 GLU C C 179.67 0.20 1 388 330 39 GLU CA C 59.21 0.20 1 389 330 39 GLU CB C 29.31 0.20 1 390 330 39 GLU CG C 36.20 0.20 1 391 330 39 GLU N N 118.47 0.30 1 392 331 40 ILE H H 7.74 0.03 1 393 331 40 ILE HA H 3.73 0.03 1 394 331 40 ILE HB H 1.78 0.03 1 395 331 40 ILE HG12 H 1.80 0.03 2 396 331 40 ILE HG13 H 1.04 0.03 2 397 331 40 ILE HG2 H 0.82 0.03 1 398 331 40 ILE HD1 H 0.71 0.03 1 399 331 40 ILE C C 177.96 0.20 1 400 331 40 ILE CA C 65.74 0.20 1 401 331 40 ILE CB C 38.48 0.20 1 402 331 40 ILE CG1 C 28.97 0.20 1 403 331 40 ILE CG2 C 18.47 0.20 1 404 331 40 ILE CD1 C 15.58 0.20 1 405 331 40 ILE N N 122.98 0.30 1 406 332 41 LEU H H 7.06 0.03 1 407 332 41 LEU HA H 3.89 0.03 1 408 332 41 LEU HB2 H 1.26 0.03 2 409 332 41 LEU HB3 H 1.81 0.03 2 410 332 41 LEU HG H 1.36 0.03 1 411 332 41 LEU HD1 H 0.51 0.03 2 412 332 41 LEU HD2 H 0.37 0.03 2 413 332 41 LEU C C 178.89 0.20 1 414 332 41 LEU CA C 58.34 0.20 1 415 332 41 LEU CB C 40.83 0.20 1 416 332 41 LEU CG C 25.81 0.20 1 417 332 41 LEU CD1 C 21.97 0.20 2 418 332 41 LEU CD2 C 25.85 0.20 2 419 332 41 LEU N N 117.52 0.30 1 420 333 42 HIS H H 8.88 0.03 1 421 333 42 HIS HA H 4.41 0.03 1 422 333 42 HIS HB2 H 2.95 0.03 2 423 333 42 HIS HB3 H 3.27 0.03 2 424 333 42 HIS HD2 H 7.28 0.03 1 425 333 42 HIS C C 177.58 0.20 1 426 333 42 HIS CA C 58.41 0.20 1 427 333 42 HIS CB C 29.34 0.20 1 428 333 42 HIS N N 117.94 0.30 1 429 334 43 THR H H 8.66 0.03 1 430 334 43 THR HA H 3.75 0.03 1 431 334 43 THR HB H 4.37 0.03 1 432 334 43 THR HG2 H 1.26 0.03 1 433 334 43 THR C C 175.73 0.20 1 434 334 43 THR CA C 67.56 0.20 1 435 334 43 THR CB C 68.42 0.20 1 436 334 43 THR CG2 C 22.15 0.20 1 437 334 43 THR N N 118.12 0.30 1 438 335 44 TYR H H 8.15 0.03 1 439 335 44 TYR HA H 4.02 0.03 1 440 335 44 TYR HB2 H 2.98 0.03 2 441 335 44 TYR HB3 H 3.25 0.03 2 442 335 44 TYR HD1 H 6.84 0.03 3 443 335 44 TYR HE1 H 6.70 0.03 3 444 335 44 TYR C C 176.90 0.20 1 445 335 44 TYR CA C 62.64 0.20 1 446 335 44 TYR CB C 38.22 0.20 1 447 335 44 TYR N N 122.35 0.30 1 448 336 45 GLN H H 8.44 0.03 1 449 336 45 GLN HA H 3.96 0.03 1 450 336 45 GLN HB2 H 2.25 0.03 2 451 336 45 GLN HB3 H 2.46 0.03 2 452 336 45 GLN HG2 H 2.30 0.03 2 453 336 45 GLN HG3 H 2.55 0.03 2 454 336 45 GLN C C 178.54 0.20 1 455 336 45 GLN CA C 59.36 0.20 1 456 336 45 GLN CB C 29.41 0.20 1 457 336 45 GLN CG C 34.17 0.20 1 458 336 45 GLN N N 119.43 0.30 1 459 337 46 LYS H H 8.29 0.03 1 460 337 46 LYS HA H 3.89 0.03 1 461 337 46 LYS HB3 H 1.84 0.03 2 462 337 46 LYS HG2 H 1.37 0.03 2 463 337 46 LYS HG3 H 1.45 0.03 2 464 337 46 LYS HD3 H 1.57 0.03 2 465 337 46 LYS HE2 H 2.77 0.03 2 466 337 46 LYS HE3 H 2.83 0.03 2 467 337 46 LYS C C 178.66 0.20 1 468 337 46 LYS CA C 59.62 0.20 1 469 337 46 LYS CB C 32.47 0.20 1 470 337 46 LYS CG C 25.01 0.20 1 471 337 46 LYS CD C 29.61 0.20 1 472 337 46 LYS CE C 41.67 0.20 1 473 337 46 LYS N N 120.47 0.30 1 474 338 47 GLU H H 8.09 0.03 1 475 338 47 GLU HA H 4.11 0.03 1 476 338 47 GLU HB3 H 2.17 0.03 2 477 338 47 GLU HG3 H 2.40 0.03 2 478 338 47 GLU C C 179.11 0.20 1 479 338 47 GLU CA C 59.14 0.20 1 480 338 47 GLU CB C 29.32 0.20 1 481 338 47 GLU CG C 36.86 0.20 1 482 338 47 GLU N N 118.75 0.30 1 483 339 48 GLN H H 8.04 0.03 1 484 339 48 GLN HA H 3.87 0.03 1 485 339 48 GLN HB2 H 1.94 0.03 2 486 339 48 GLN HB3 H 2.03 0.03 2 487 339 48 GLN HG2 H 1.97 0.03 2 488 339 48 GLN HG3 H 2.01 0.03 2 489 339 48 GLN C C 178.69 0.20 1 490 339 48 GLN CA C 58.22 0.20 1 491 339 48 GLN CB C 28.49 0.20 1 492 339 48 GLN CG C 34.30 0.20 1 493 339 48 GLN N N 118.28 0.30 1 494 340 49 ARG H H 7.92 0.03 1 495 340 49 ARG HA H 4.05 0.03 1 496 340 49 ARG HB2 H 1.88 0.03 2 497 340 49 ARG HB3 H 1.91 0.03 2 498 340 49 ARG HG2 H 1.59 0.03 2 499 340 49 ARG HG3 H 1.74 0.03 2 500 340 49 ARG HD3 H 3.17 0.03 2 501 340 49 ARG C C 178.27 0.20 1 502 340 49 ARG CA C 59.16 0.20 1 503 340 49 ARG CB C 29.85 0.20 1 504 340 49 ARG CG C 27.38 0.20 1 505 340 49 ARG CD C 43.73 0.20 1 506 340 49 ARG N N 120.66 0.30 1 507 341 50 ASN H H 8.23 0.03 1 508 341 50 ASN HA H 4.31 0.03 1 509 341 50 ASN HB2 H 2.39 0.03 2 510 341 50 ASN HB3 H 2.72 0.03 2 511 341 50 ASN C C 177.36 0.20 1 512 341 50 ASN CA C 55.20 0.20 1 513 341 50 ASN CB C 38.04 0.20 1 514 341 50 ASN N N 118.71 0.30 1 515 342 51 ALA H H 7.92 0.03 1 516 342 51 ALA HA H 3.89 0.03 1 517 342 51 ALA HB H 1.43 0.03 1 518 342 51 ALA C C 179.32 0.20 1 519 342 51 ALA CA C 54.76 0.20 1 520 342 51 ALA CB C 18.58 0.20 1 521 342 51 ALA N N 122.05 0.30 1 522 343 52 LYS H H 7.74 0.03 1 523 343 52 LYS HA H 4.10 0.03 1 524 343 52 LYS HB3 H 1.92 0.03 2 525 343 52 LYS HG2 H 1.44 0.03 2 526 343 52 LYS HG3 H 1.53 0.03 2 527 343 52 LYS HD3 H 1.68 0.03 2 528 343 52 LYS HE3 H 2.97 0.03 2 529 343 52 LYS C C 178.84 0.20 1 530 343 52 LYS CA C 58.36 0.20 1 531 343 52 LYS CB C 32.67 0.20 1 532 343 52 LYS CG C 25.14 0.20 1 533 343 52 LYS CD C 29.26 0.20 1 534 343 52 LYS CE C 42.15 0.20 1 535 343 52 LYS N N 118.73 0.30 1 536 344 53 GLU H H 8.00 0.03 1 537 344 53 GLU HA H 4.14 0.03 1 538 344 53 GLU HB2 H 1.96 0.03 2 539 344 53 GLU HB3 H 2.07 0.03 2 540 344 53 GLU HG2 H 2.26 0.03 2 541 344 53 GLU HG3 H 2.38 0.03 2 542 344 53 GLU C C 177.19 0.20 1 543 344 53 GLU CA C 57.74 0.20 1 544 344 53 GLU CB C 30.02 0.20 1 545 344 53 GLU CG C 36.55 0.20 1 546 344 53 GLU N N 118.84 0.30 1 547 345 54 ALA H H 7.77 0.03 1 548 345 54 ALA HA H 4.33 0.03 1 549 345 54 ALA HB H 1.43 0.03 1 550 345 54 ALA C C 178.87 0.20 1 551 345 54 ALA CA C 53.07 0.20 1 552 345 54 ALA CB C 19.70 0.20 1 553 345 54 ALA N N 121.36 0.30 1 554 346 55 GLY H H 8.01 0.03 1 555 346 55 GLY HA2 H 3.92 0.03 2 556 346 55 GLY HA3 H 4.04 0.03 2 557 346 55 GLY C C 174.98 0.20 1 558 346 55 GLY CA C 46.06 0.20 1 559 346 55 GLY N N 107.37 0.30 1 560 347 56 GLY H H 8.25 0.03 1 561 347 56 GLY HA2 H 3.90 0.03 2 562 347 56 GLY HA3 H 4.04 0.03 2 563 347 56 GLY C C 174.23 0.20 1 564 347 56 GLY CA C 45.68 0.20 1 565 347 56 GLY N N 107.26 0.30 1 566 348 57 ASN H H 8.08 0.03 1 567 348 57 ASN HA H 4.75 0.03 1 568 348 57 ASN HB2 H 2.77 0.03 2 569 348 57 ASN HB3 H 2.86 0.03 2 570 348 57 ASN C C 174.21 0.20 1 571 348 57 ASN CA C 53.49 0.20 1 572 348 57 ASN CB C 38.59 0.20 1 573 348 57 ASN N N 118.40 0.30 1 574 349 58 TYR H H 7.90 0.03 1 575 349 58 TYR HA H 4.51 0.03 1 576 349 58 TYR HB2 H 2.76 0.03 2 577 349 58 TYR HB3 H 2.95 0.03 2 578 349 58 TYR HD1 H 6.90 0.03 3 579 349 58 TYR HE1 H 6.79 0.03 3 580 349 58 TYR C C 174.72 0.20 1 581 349 58 TYR CA C 58.33 0.20 1 582 349 58 TYR CB C 40.50 0.20 1 583 349 58 TYR N N 121.31 0.30 1 584 350 59 THR H H 7.96 0.03 1 585 350 59 THR HA H 4.52 0.03 1 586 350 59 THR HB H 3.85 0.03 1 587 350 59 THR HG2 H 1.11 0.03 1 588 350 59 THR CA C 59.19 0.20 1 589 350 59 THR CB C 70.16 0.20 1 590 350 59 THR CG2 C 21.27 0.20 1 591 350 59 THR N N 123.93 0.30 1 592 351 60 PRO HA H 4.34 0.03 1 593 351 60 PRO HB2 H 1.86 0.03 2 594 351 60 PRO HB3 H 2.30 0.03 2 595 351 60 PRO HG2 H 1.93 0.03 2 596 351 60 PRO HG3 H 2.06 0.03 2 597 351 60 PRO HD2 H 3.67 0.03 2 598 351 60 PRO HD3 H 3.73 0.03 2 599 351 60 PRO C C 176.63 0.20 1 600 351 60 PRO CA C 63.01 0.20 1 601 351 60 PRO CB C 32.84 0.20 1 602 351 60 PRO CG C 27.63 0.20 1 603 351 60 PRO CD C 51.22 0.20 1 604 352 61 ALA H H 8.82 0.03 1 605 352 61 ALA HA H 4.26 0.03 1 606 352 61 ALA HB H 1.37 0.03 1 607 352 61 ALA C C 177.38 0.20 1 608 352 61 ALA CA C 53.02 0.20 1 609 352 61 ALA CB C 19.57 0.20 1 610 352 61 ALA N N 124.52 0.30 1 611 353 62 LEU H H 7.66 0.03 1 612 353 62 LEU HA H 4.66 0.03 1 613 353 62 LEU HB2 H 1.54 0.03 2 614 353 62 LEU HB3 H 1.67 0.03 2 615 353 62 LEU HG H 1.67 0.03 1 616 353 62 LEU HD1 H 0.94 0.03 2 617 353 62 LEU HD2 H 0.92 0.03 2 618 353 62 LEU C C 175.73 0.20 1 619 353 62 LEU CA C 54.85 0.20 1 620 353 62 LEU CB C 44.24 0.20 1 621 353 62 LEU CG C 27.45 0.20 1 622 353 62 LEU CD1 C 25.13 0.20 2 623 353 62 LEU CD2 C 26.14 0.20 2 624 353 62 LEU N N 119.15 0.30 1 625 354 63 THR H H 8.06 0.03 1 626 354 63 THR HA H 4.72 0.03 1 627 354 63 THR HB H 4.76 0.03 1 628 354 63 THR HG2 H 1.32 0.03 1 629 354 63 THR C C 175.60 0.20 1 630 354 63 THR CA C 60.57 0.20 1 631 354 63 THR CB C 71.96 0.20 1 632 354 63 THR CG2 C 22.02 0.20 1 633 354 63 THR N N 114.23 0.30 1 634 355 64 GLU H H 9.27 0.03 1 635 355 64 GLU HA H 3.59 0.03 1 636 355 64 GLU HB2 H 1.81 0.03 2 637 355 64 GLU HB3 H 1.99 0.03 2 638 355 64 GLU HG2 H 2.10 0.03 2 639 355 64 GLU HG3 H 2.26 0.03 2 640 355 64 GLU C C 178.13 0.20 1 641 355 64 GLU CA C 61.29 0.20 1 642 355 64 GLU CB C 28.74 0.20 1 643 355 64 GLU CG C 37.61 0.20 1 644 355 64 GLU N N 120.28 0.30 1 645 356 65 GLN H H 8.32 0.03 1 646 356 65 GLN HA H 4.08 0.03 1 647 356 65 GLN HB2 H 2.08 0.03 2 648 356 65 GLN HB3 H 2.14 0.03 2 649 356 65 GLN HG2 H 2.47 0.03 2 650 356 65 GLN HG3 H 2.51 0.03 2 651 356 65 GLN C C 178.81 0.20 1 652 356 65 GLN CA C 59.51 0.20 1 653 356 65 GLN CB C 28.14 0.20 1 654 356 65 GLN CG C 34.44 0.20 1 655 356 65 GLN N N 117.24 0.30 1 656 357 66 GLU H H 7.70 0.03 1 657 357 66 GLU HA H 4.23 0.03 1 658 357 66 GLU HB2 H 2.09 0.03 2 659 357 66 GLU HB3 H 2.31 0.03 2 660 357 66 GLU HG3 H 2.35 0.03 2 661 357 66 GLU C C 179.06 0.20 1 662 357 66 GLU CA C 59.07 0.20 1 663 357 66 GLU CB C 30.02 0.20 1 664 357 66 GLU CG C 36.97 0.20 1 665 357 66 GLU N N 121.53 0.30 1 666 358 67 VAL H H 8.17 0.03 1 667 358 67 VAL HA H 3.41 0.03 1 668 358 67 VAL HB H 2.22 0.03 1 669 358 67 VAL HG1 H 0.96 0.03 2 670 358 67 VAL HG2 H 0.82 0.03 2 671 358 67 VAL C C 177.42 0.20 1 672 358 67 VAL CA C 67.30 0.20 1 673 358 67 VAL CB C 31.14 0.20 1 674 358 67 VAL CG1 C 23.77 0.20 2 675 358 67 VAL CG2 C 21.52 0.20 2 676 358 67 VAL N N 120.76 0.30 1 677 359 68 TYR H H 8.17 0.03 1 678 359 68 TYR HA H 3.81 0.03 1 679 359 68 TYR HB2 H 2.98 0.03 2 680 359 68 TYR HB3 H 3.26 0.03 2 681 359 68 TYR HD1 H 7.05 0.03 3 682 359 68 TYR HE1 H 6.82 0.03 3 683 359 68 TYR C C 176.48 0.20 1 684 359 68 TYR CA C 62.76 0.20 1 685 359 68 TYR CB C 38.33 0.20 1 686 359 68 TYR N N 118.70 0.30 1 687 360 69 ALA H H 8.00 0.03 1 688 360 69 ALA HA H 4.01 0.03 1 689 360 69 ALA HB H 1.54 0.03 1 690 360 69 ALA C C 181.01 0.20 1 691 360 69 ALA CA C 55.27 0.20 1 692 360 69 ALA CB C 18.35 0.20 1 693 360 69 ALA N N 119.40 0.30 1 694 361 70 GLN H H 8.09 0.03 1 695 361 70 GLN HA H 3.95 0.03 1 696 361 70 GLN HB2 H 2.03 0.03 2 697 361 70 GLN HB3 H 2.24 0.03 2 698 361 70 GLN HG2 H 2.32 0.03 2 699 361 70 GLN HG3 H 2.70 0.03 2 700 361 70 GLN HE21 H 6.50 0.03 2 701 361 70 GLN HE22 H 7.46 0.03 2 702 361 70 GLN C C 179.59 0.20 1 703 361 70 GLN CA C 59.48 0.20 1 704 361 70 GLN CB C 28.85 0.20 1 705 361 70 GLN CG C 34.47 0.20 1 706 361 70 GLN N N 117.27 0.30 1 707 361 70 GLN NE2 N 109.61 0.30 1 708 362 71 VAL H H 8.35 0.03 1 709 362 71 VAL HA H 2.93 0.03 1 710 362 71 VAL HB H 1.37 0.03 1 711 362 71 VAL HG1 H 0.52 0.03 2 712 362 71 VAL HG2 H -0.40 0.03 2 713 362 71 VAL C C 176.65 0.20 1 714 362 71 VAL CA C 66.90 0.20 1 715 362 71 VAL CB C 31.08 0.20 1 716 362 71 VAL CG1 C 23.45 0.20 2 717 362 71 VAL CG2 C 21.11 0.20 2 718 362 71 VAL N N 123.02 0.30 1 719 363 72 ALA H H 8.70 0.03 1 720 363 72 ALA HA H 3.77 0.03 1 721 363 72 ALA HB H 1.21 0.03 1 722 363 72 ALA C C 180.06 0.20 1 723 363 72 ALA CA C 55.34 0.20 1 724 363 72 ALA CB C 17.69 0.20 1 725 363 72 ALA N N 121.66 0.30 1 726 364 73 ARG H H 7.11 0.03 1 727 364 73 ARG HA H 4.04 0.03 1 728 364 73 ARG HB3 H 1.85 0.03 2 729 364 73 ARG HG2 H 1.57 0.03 2 730 364 73 ARG HG3 H 1.80 0.03 2 731 364 73 ARG HD3 H 3.21 0.03 2 732 364 73 ARG C C 179.07 0.20 1 733 364 73 ARG CA C 59.10 0.20 1 734 364 73 ARG CB C 30.40 0.20 1 735 364 73 ARG CG C 27.98 0.20 1 736 364 73 ARG CD C 43.70 0.20 1 737 364 73 ARG N N 115.42 0.30 1 738 365 74 LEU H H 7.42 0.03 1 739 365 74 LEU HA H 4.02 0.03 1 740 365 74 LEU HB2 H 1.31 0.03 2 741 365 74 LEU HB3 H 1.48 0.03 2 742 365 74 LEU HG H 1.62 0.03 1 743 365 74 LEU HD1 H 0.80 0.03 2 744 365 74 LEU HD2 H 0.74 0.03 2 745 365 74 LEU C C 178.70 0.20 1 746 365 74 LEU CA C 57.38 0.20 1 747 365 74 LEU CB C 42.42 0.20 1 748 365 74 LEU CG C 26.40 0.20 1 749 365 74 LEU CD1 C 25.19 0.20 2 750 365 74 LEU CD2 C 24.16 0.20 2 751 365 74 LEU N N 120.52 0.30 1 752 366 75 PHE H H 8.28 0.03 1 753 366 75 PHE HA H 4.98 0.03 1 754 366 75 PHE HB2 H 2.92 0.03 2 755 366 75 PHE HB3 H 3.77 0.03 2 756 366 75 PHE HD2 H 6.64 0.03 3 757 366 75 PHE HE2 H 6.81 0.03 3 758 366 75 PHE HZ H 6.19 0.03 1 759 366 75 PHE C C 175.59 0.20 1 760 366 75 PHE CA C 53.08 0.20 1 761 366 75 PHE CB C 36.69 0.20 1 762 366 75 PHE N N 115.20 0.30 1 763 367 76 LYS H H 7.01 0.03 1 764 367 76 LYS HA H 4.04 0.03 1 765 367 76 LYS HB2 H 1.89 0.03 2 766 367 76 LYS HB3 H 2.03 0.03 2 767 367 76 LYS HG3 H 1.48 0.03 2 768 367 76 LYS HD3 H 1.77 0.03 2 769 367 76 LYS HE3 H 3.05 0.03 2 770 367 76 LYS C C 177.03 0.20 1 771 367 76 LYS CA C 59.23 0.20 1 772 367 76 LYS CB C 32.41 0.20 1 773 367 76 LYS CG C 24.41 0.20 1 774 367 76 LYS CD C 29.59 0.20 1 775 367 76 LYS CE C 42.13 0.20 1 776 367 76 LYS N N 120.86 0.30 1 777 368 77 ASN H H 8.88 0.03 1 778 368 77 ASN HA H 4.83 0.03 1 779 368 77 ASN HB2 H 2.97 0.03 2 780 368 77 ASN HB3 H 3.12 0.03 2 781 368 77 ASN C C 174.39 0.20 1 782 368 77 ASN CA C 54.51 0.20 1 783 368 77 ASN CB C 38.56 0.20 1 784 368 77 ASN N N 115.97 0.30 1 785 369 78 GLN H H 8.08 0.03 1 786 369 78 GLN HA H 4.82 0.03 1 787 369 78 GLN HB2 H 1.80 0.03 2 788 369 78 GLN HB3 H 1.88 0.03 2 789 369 78 GLN HG2 H 2.27 0.03 2 790 369 78 GLN HG3 H 2.43 0.03 2 791 369 78 GLN C C 175.88 0.20 1 792 369 78 GLN CA C 52.76 0.20 1 793 369 78 GLN CB C 27.15 0.20 1 794 369 78 GLN CG C 31.68 0.20 1 795 369 78 GLN N N 120.06 0.30 1 796 370 79 GLU H H 8.75 0.03 1 797 370 79 GLU HA H 3.99 0.03 1 798 370 79 GLU HB3 H 2.12 0.03 2 799 370 79 GLU HG3 H 2.42 0.03 2 800 370 79 GLU C C 178.43 0.20 1 801 370 79 GLU CA C 60.87 0.20 1 802 370 79 GLU CB C 29.55 0.20 1 803 370 79 GLU CG C 36.68 0.20 1 804 370 79 GLU N N 122.15 0.30 1 805 371 80 ASP H H 8.96 0.03 1 806 371 80 ASP HA H 4.42 0.03 1 807 371 80 ASP HB2 H 2.69 0.03 2 808 371 80 ASP HB3 H 2.89 0.03 2 809 371 80 ASP C C 179.17 0.20 1 810 371 80 ASP CA C 56.54 0.20 1 811 371 80 ASP CB C 38.43 0.20 1 812 371 80 ASP N N 118.50 0.30 1 813 372 81 LEU H H 7.73 0.03 1 814 372 81 LEU HA H 4.38 0.03 1 815 372 81 LEU HB2 H 0.98 0.03 2 816 372 81 LEU HB3 H 1.63 0.03 2 817 372 81 LEU HG H 1.56 0.03 1 818 372 81 LEU HD1 H 0.53 0.03 2 819 372 81 LEU HD2 H 0.22 0.03 2 820 372 81 LEU C C 181.07 0.20 1 821 372 81 LEU CA C 57.23 0.20 1 822 372 81 LEU CB C 41.65 0.20 1 823 372 81 LEU CG C 26.58 0.20 1 824 372 81 LEU CD1 C 22.34 0.20 2 825 372 81 LEU CD2 C 26.53 0.20 2 826 372 81 LEU N N 121.05 0.30 1 827 373 82 LEU H H 8.17 0.03 1 828 373 82 LEU HA H 4.44 0.03 1 829 373 82 LEU HB2 H 1.71 0.03 2 830 373 82 LEU HB3 H 2.14 0.03 2 831 373 82 LEU HG H 1.87 0.03 1 832 373 82 LEU HD1 H 0.98 0.03 2 833 373 82 LEU HD2 H 0.84 0.03 2 834 373 82 LEU C C 178.83 0.20 1 835 373 82 LEU CA C 58.08 0.20 1 836 373 82 LEU CB C 41.81 0.20 1 837 373 82 LEU CG C 27.40 0.20 1 838 373 82 LEU CD1 C 25.37 0.20 2 839 373 82 LEU CD2 C 23.62 0.20 2 840 373 82 LEU N N 122.51 0.30 1 841 374 83 SER H H 8.62 0.03 1 842 374 83 SER HA H 4.33 0.03 1 843 374 83 SER HB3 H 4.08 0.03 2 844 374 83 SER C C 177.99 0.20 1 845 374 83 SER CA C 61.94 0.20 1 846 374 83 SER CB C 62.79 0.20 1 847 374 83 SER N N 116.31 0.30 1 848 375 84 GLU H H 7.84 0.03 1 849 375 84 GLU HA H 4.12 0.03 1 850 375 84 GLU HB2 H 2.04 0.03 2 851 375 84 GLU HB3 H 2.16 0.03 2 852 375 84 GLU HG3 H 2.42 0.03 2 853 375 84 GLU C C 177.94 0.20 1 854 375 84 GLU CA C 59.22 0.20 1 855 375 84 GLU CB C 30.06 0.20 1 856 375 84 GLU CG C 36.84 0.20 1 857 375 84 GLU N N 120.88 0.30 1 858 376 85 PHE H H 7.93 0.03 1 859 376 85 PHE HA H 4.24 0.03 1 860 376 85 PHE HB2 H 3.40 0.03 2 861 376 85 PHE HB3 H 4.09 0.03 2 862 376 85 PHE HD1 H 7.44 0.03 3 863 376 85 PHE HE1 H 7.20 0.03 3 864 376 85 PHE HZ H 6.82 0.03 1 865 376 85 PHE C C 177.74 0.20 1 866 376 85 PHE CA C 62.21 0.20 1 867 376 85 PHE CB C 39.10 0.20 1 868 376 85 PHE N N 120.35 0.30 1 869 377 86 GLY H H 7.81 0.03 1 870 377 86 GLY HA2 H 3.90 0.03 2 871 377 86 GLY HA3 H 4.10 0.03 2 872 377 86 GLY C C 175.45 0.20 1 873 377 86 GLY CA C 46.75 0.20 1 874 377 86 GLY N N 101.95 0.30 1 875 378 87 GLN H H 7.48 0.03 1 876 378 87 GLN HA H 3.98 0.03 1 877 378 87 GLN HB2 H 1.73 0.03 2 878 378 87 GLN HB3 H 1.78 0.03 2 879 378 87 GLN HG2 H 2.14 0.03 2 880 378 87 GLN HG3 H 2.20 0.03 2 881 378 87 GLN C C 176.86 0.20 1 882 378 87 GLN CA C 57.49 0.20 1 883 378 87 GLN CB C 27.94 0.20 1 884 378 87 GLN CG C 34.15 0.20 1 885 378 87 GLN N N 117.41 0.30 1 886 379 88 PHE H H 7.71 0.03 1 887 379 88 PHE HA H 4.31 0.03 1 888 379 88 PHE HB2 H 2.66 0.03 2 889 379 88 PHE HB3 H 2.98 0.03 2 890 379 88 PHE HD2 H 7.15 0.03 3 891 379 88 PHE HE2 H 6.65 0.03 3 892 379 88 PHE HZ H 6.27 0.03 1 893 379 88 PHE C C 174.02 0.20 1 894 379 88 PHE CA C 59.07 0.20 1 895 379 88 PHE CB C 39.79 0.20 1 896 379 88 PHE N N 115.75 0.30 1 897 380 89 LEU H H 7.10 0.03 1 898 380 89 LEU HA H 4.52 0.03 1 899 380 89 LEU HB2 H 0.99 0.03 2 900 380 89 LEU HB3 H 1.45 0.03 2 901 380 89 LEU HG H 1.26 0.03 1 902 380 89 LEU HD1 H 0.51 0.03 2 903 380 89 LEU HD2 H 0.47 0.03 2 904 380 89 LEU CA C 52.39 0.20 1 905 380 89 LEU CB C 42.65 0.20 1 906 380 89 LEU CG C 26.88 0.20 1 907 380 89 LEU CD1 C 25.29 0.20 2 908 380 89 LEU CD2 C 24.73 0.20 2 909 380 89 LEU N N 119.05 0.30 1 910 381 90 PRO HA H 4.45 0.03 1 911 381 90 PRO HB2 H 1.85 0.03 2 912 381 90 PRO HB3 H 2.22 0.03 2 913 381 90 PRO HG3 H 1.91 0.03 2 914 381 90 PRO HD2 H 3.34 0.03 2 915 381 90 PRO HD3 H 3.53 0.03 2 916 381 90 PRO C C 176.95 0.20 1 917 381 90 PRO CA C 63.53 0.20 1 918 381 90 PRO CB C 32.26 0.20 1 919 381 90 PRO CG C 27.33 0.20 1 920 381 90 PRO CD C 50.25 0.20 1 921 382 91 ASP H H 8.36 0.03 1 922 382 91 ASP HA H 4.31 0.03 1 923 382 91 ASP HB2 H 2.42 0.03 2 924 382 91 ASP HB3 H 2.61 0.03 2 925 382 91 ASP C C 176.30 0.20 1 926 382 91 ASP CA C 54.19 0.20 1 927 382 91 ASP CB C 40.92 0.20 1 928 382 91 ASP N N 119.04 0.30 1 929 383 92 ALA H H 7.96 0.03 1 930 383 92 ALA HA H 4.19 0.03 1 931 383 92 ALA HB H 1.26 0.03 1 932 383 92 ALA C C 177.25 0.20 1 933 383 92 ALA CA C 52.99 0.20 1 934 383 92 ALA CB C 19.49 0.20 1 935 383 92 ALA N N 124.28 0.30 1 936 384 93 ASN H H 8.29 0.03 1 937 384 93 ASN HA H 4.67 0.03 1 938 384 93 ASN HB2 H 2.61 0.03 2 939 384 93 ASN HB3 H 2.77 0.03 2 940 384 93 ASN C C 174.27 0.20 1 941 384 93 ASN CA C 53.30 0.20 1 942 384 93 ASN CB C 39.35 0.20 1 943 384 93 ASN N N 117.12 0.30 1 944 385 94 SER H H 7.69 0.03 1 945 385 94 SER HA H 4.21 0.03 1 946 385 94 SER HB3 H 3.80 0.03 2 947 385 94 SER CA C 60.16 0.20 1 948 385 94 SER CB C 64.96 0.20 1 949 385 94 SER N N 121.19 0.30 1 stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 198 2 ASN HA H 4.71 0.03 1 2 198 2 ASN HB2 H 2.79 0.03 2 3 198 2 ASN HB3 H 2.85 0.03 2 4 198 2 ASN HD21 H 6.89 0.03 2 5 198 2 ASN HD22 H 7.60 0.03 2 6 198 2 ASN C C 175.03 0.20 1 7 198 2 ASN CA C 53.69 0.20 1 8 198 2 ASN CB C 38.91 0.20 1 9 198 2 ASN ND2 N 112.97 0.30 1 10 199 3 ALA H H 8.35 0.03 1 11 199 3 ALA HA H 4.28 0.03 1 12 199 3 ALA HB H 1.32 0.03 1 13 199 3 ALA C C 177.26 0.20 1 14 199 3 ALA CA C 52.76 0.20 1 15 199 3 ALA CB C 19.09 0.20 1 16 199 3 ALA N N 124.08 0.30 1 17 200 4 ASP H H 8.08 0.03 1 18 200 4 ASP HA H 4.51 0.03 1 19 200 4 ASP HB2 H 2.56 0.03 2 20 200 4 ASP HB3 H 2.59 0.03 2 21 200 4 ASP C C 175.77 0.20 1 22 200 4 ASP CA C 54.54 0.20 1 23 200 4 ASP CB C 41.13 0.20 1 24 200 4 ASP N N 118.75 0.30 1 25 201 5 TYR H H 7.92 0.03 1 26 201 5 TYR HA H 4.52 0.03 1 27 201 5 TYR HB3 H 2.98 0.03 2 28 201 5 TYR HD1 H 7.09 0.03 3 29 201 5 TYR HE1 H 6.80 0.03 3 30 201 5 TYR C C 175.24 0.20 1 31 201 5 TYR CA C 58.01 0.20 1 32 201 5 TYR CB C 38.99 0.20 1 33 201 5 TYR CD1 C 133.18 0.20 1 34 201 5 TYR CE1 C 118.07 0.20 1 35 201 5 TYR N N 120.26 0.30 1 36 202 6 VAL H H 7.83 0.03 1 37 202 6 VAL HA H 3.98 0.03 1 38 202 6 VAL HB H 1.91 0.03 1 39 202 6 VAL HG1 H 0.85 0.03 2 40 202 6 VAL HG2 H 0.84 0.03 2 41 202 6 VAL C C 175.19 0.20 1 42 202 6 VAL CA C 61.81 0.20 1 43 202 6 VAL CB C 33.09 0.20 1 44 202 6 VAL CG1 C 21.10 0.20 2 45 202 6 VAL CG2 C 21.52 0.20 2 46 202 6 VAL N N 123.99 0.30 1 47 203 7 GLN H H 8.35 0.03 1 48 203 7 GLN HA H 4.46 0.03 1 49 203 7 GLN HB2 H 1.95 0.03 2 50 203 7 GLN HB3 H 2.08 0.03 2 51 203 7 GLN HG3 H 2.40 0.03 2 52 203 7 GLN HE21 H 6.91 0.03 2 53 203 7 GLN HE22 H 7.58 0.03 2 54 203 7 GLN CA C 53.97 0.20 1 55 203 7 GLN CB C 28.98 0.20 1 56 203 7 GLN CG C 33.71 0.20 1 57 203 7 GLN N N 125.69 0.30 1 58 203 7 GLN NE2 N 112.60 0.30 1 59 204 8 PRO HA H 4.37 0.03 1 60 204 8 PRO HB2 H 1.90 0.03 2 61 204 8 PRO HB3 H 2.29 0.03 2 62 204 8 PRO HG3 H 2.03 0.03 2 63 204 8 PRO HD2 H 3.70 0.03 2 64 204 8 PRO HD3 H 3.85 0.03 2 65 204 8 PRO C C 176.78 0.20 1 66 204 8 PRO CA C 63.50 0.20 1 67 204 8 PRO CB C 32.40 0.20 1 68 204 8 PRO CG C 27.58 0.20 1 69 204 8 PRO CD C 51.10 0.20 1 70 205 9 GLN H H 8.50 0.03 1 71 205 9 GLN HA H 4.29 0.03 1 72 205 9 GLN HB2 H 1.97 0.03 2 73 205 9 GLN HB3 H 2.07 0.03 2 74 205 9 GLN HG3 H 2.37 0.03 2 75 205 9 GLN C C 175.85 0.20 1 76 205 9 GLN CA C 55.99 0.20 1 77 205 9 GLN CB C 29.45 0.20 1 78 205 9 GLN CG C 34.05 0.20 1 79 205 9 GLN N N 120.30 0.30 1 80 206 10 LEU H H 8.24 0.03 1 81 206 10 LEU HA H 4.35 0.03 1 82 206 10 LEU HB2 H 1.55 0.03 2 83 206 10 LEU HB3 H 1.66 0.03 2 84 206 10 LEU HG H 1.68 0.03 1 85 206 10 LEU HD1 H 0.92 0.03 2 86 206 10 LEU HD2 H 0.87 0.03 2 87 206 10 LEU C C 177.05 0.20 1 88 206 10 LEU CA C 55.18 0.20 1 89 206 10 LEU CB C 42.41 0.20 1 90 206 10 LEU CG C 27.33 0.20 1 91 206 10 LEU CD1 C 25.22 0.20 2 92 206 10 LEU CD2 C 23.67 0.20 2 93 206 10 LEU N N 123.55 0.30 1 94 207 11 ARG H H 8.44 0.03 1 95 207 11 ARG HA H 4.50 0.03 1 96 207 11 ARG HB2 H 1.78 0.03 2 97 207 11 ARG HB3 H 1.85 0.03 2 98 207 11 ARG HG3 H 1.65 0.03 2 99 207 11 ARG HD2 H 3.10 0.03 2 100 207 11 ARG HD3 H 3.17 0.03 2 101 207 11 ARG HE H 7.33 0.03 1 102 207 11 ARG C C 176.19 0.20 1 103 207 11 ARG CA C 55.46 0.20 1 104 207 11 ARG CB C 31.55 0.20 1 105 207 11 ARG CG C 26.92 0.20 1 106 207 11 ARG CD C 43.52 0.20 1 107 207 11 ARG N N 121.70 0.30 1 108 207 11 ARG NE N 84.71 0.30 1 109 208 12 ARG H H 8.74 0.03 1 110 208 12 ARG HA H 4.64 0.03 1 111 208 12 ARG HB3 H 1.88 0.03 2 112 208 12 ARG HG3 H 1.85 0.03 2 113 208 12 ARG HD3 H 3.33 0.03 2 114 208 12 ARG HE H 7.58 0.03 1 115 208 12 ARG CA C 55.29 0.20 1 116 208 12 ARG CB C 29.53 0.20 1 117 208 12 ARG CG C 27.81 0.20 1 118 208 12 ARG CD C 43.63 0.20 1 119 208 12 ARG N N 122.51 0.30 1 120 208 12 ARG NE N 84.52 0.30 1 121 209 13 PRO HA H 4.51 0.03 1 122 209 13 PRO HB2 H 2.21 0.03 2 123 209 13 PRO HB3 H 2.37 0.03 2 124 209 13 PRO HD2 H 3.90 0.03 2 125 209 13 PRO HD3 H 4.00 0.03 2 126 209 13 PRO C C 178.33 0.20 1 127 209 13 PRO CA C 63.36 0.20 1 128 210 14 PHE H H 8.70 0.03 1 129 210 14 PHE HA H 4.44 0.03 1 130 210 14 PHE HB2 H 2.91 0.03 2 131 210 14 PHE HB3 H 3.59 0.03 2 132 210 14 PHE HD2 H 7.05 0.03 3 133 210 14 PHE HE2 H 6.63 0.03 3 134 210 14 PHE HZ H 6.70 0.03 1 135 210 14 PHE CA C 61.13 0.20 1 136 210 14 PHE CB C 39.31 0.20 1 137 210 14 PHE CD2 C 131.48 0.20 1 138 210 14 PHE CE2 C 130.43 0.20 1 139 210 14 PHE N N 117.52 0.30 1 140 211 15 GLU H H 7.56 0.03 1 141 211 15 GLU HA H 3.86 0.03 1 142 211 15 GLU HB3 H 2.14 0.03 2 143 211 15 GLU HG3 H 2.39 0.03 2 144 211 15 GLU CA C 59.71 0.20 1 145 211 15 GLU CB C 29.69 0.20 1 146 211 15 GLU CG C 37.82 0.20 1 147 211 15 GLU N N 115.59 0.30 1 148 212 16 LEU H H 7.86 0.03 1 149 212 16 LEU HA H 4.14 0.03 1 150 212 16 LEU HB2 H 1.44 0.03 2 151 212 16 LEU HB3 H 1.59 0.03 2 152 212 16 LEU HG H 1.78 0.03 1 153 212 16 LEU HD1 H 0.94 0.03 2 154 212 16 LEU HD2 H 0.87 0.03 2 155 212 16 LEU C C 178.12 0.20 1 156 212 16 LEU CA C 58.03 0.20 1 157 212 16 LEU CB C 41.42 0.20 1 158 212 16 LEU CG C 27.02 0.20 1 159 212 16 LEU CD1 C 26.66 0.20 2 160 212 16 LEU CD2 C 23.91 0.20 2 161 212 16 LEU N N 120.40 0.30 1 162 213 17 LEU H H 7.73 0.03 1 163 213 17 LEU HA H 3.83 0.03 1 164 213 17 LEU HB2 H 1.07 0.03 2 165 213 17 LEU HB3 H 1.84 0.03 2 166 213 17 LEU HG H 1.33 0.03 1 167 213 17 LEU HD1 H 0.77 0.03 2 168 213 17 LEU HD2 H 0.63 0.03 2 169 213 17 LEU C C 177.70 0.20 1 170 213 17 LEU CA C 58.37 0.20 1 171 213 17 LEU CB C 40.53 0.20 1 172 213 17 LEU CG C 26.91 0.20 1 173 213 17 LEU CD1 C 26.36 0.20 2 174 213 17 LEU CD2 C 24.30 0.20 2 175 213 17 LEU N N 119.94 0.30 1 176 214 18 ILE H H 7.70 0.03 1 177 214 18 ILE HA H 3.85 0.03 1 178 214 18 ILE HB H 1.75 0.03 1 179 214 18 ILE HG12 H 1.30 0.03 2 180 214 18 ILE HG13 H 0.67 0.03 2 181 214 18 ILE HG2 H 0.80 0.03 1 182 214 18 ILE HD1 H 0.58 0.03 1 183 214 18 ILE C C 177.41 0.20 1 184 214 18 ILE CA C 65.33 0.20 1 185 214 18 ILE CB C 37.87 0.20 1 186 214 18 ILE CG1 C 29.66 0.20 1 187 214 18 ILE CG2 C 17.88 0.20 1 188 214 18 ILE CD1 C 13.69 0.20 1 189 214 18 ILE N N 117.51 0.30 1 190 215 19 ALA H H 7.84 0.03 1 191 215 19 ALA HA H 4.03 0.03 1 192 215 19 ALA HB H 1.56 0.03 1 193 215 19 ALA C C 180.39 0.20 1 194 215 19 ALA CA C 55.29 0.20 1 195 215 19 ALA CB C 18.31 0.20 1 196 215 19 ALA N N 120.36 0.30 1 197 216 20 ALA H H 8.37 0.03 1 198 216 20 ALA HA H 3.97 0.03 1 199 216 20 ALA HB H 1.19 0.03 1 200 216 20 ALA C C 179.22 0.20 1 201 216 20 ALA CA C 54.89 0.20 1 202 216 20 ALA CB C 19.08 0.20 1 203 216 20 ALA N N 120.62 0.30 1 204 217 21 ALA H H 8.33 0.03 1 205 217 21 ALA HA H 4.02 0.03 1 206 217 21 ALA HB H 1.36 0.03 1 207 217 21 ALA C C 179.10 0.20 1 208 217 21 ALA CA C 54.73 0.20 1 209 217 21 ALA CB C 18.84 0.20 1 210 217 21 ALA N N 119.62 0.30 1 211 218 22 MET H H 8.09 0.03 1 212 218 22 MET HA H 4.05 0.03 1 213 218 22 MET HB2 H 1.98 0.03 2 214 218 22 MET HB3 H 2.32 0.03 2 215 218 22 MET HG3 H 2.50 0.03 2 216 218 22 MET HE H 1.95 0.03 1 217 218 22 MET C C 177.22 0.20 1 218 218 22 MET CA C 56.75 0.20 1 219 218 22 MET CB C 32.64 0.20 1 220 218 22 MET CG C 32.42 0.20 1 221 218 22 MET CE C 17.66 0.20 1 222 218 22 MET N N 115.69 0.30 1 223 219 23 GLU H H 7.76 0.03 1 224 219 23 GLU HA H 4.13 0.03 1 225 219 23 GLU HB2 H 2.16 0.03 2 226 219 23 GLU HB3 H 2.25 0.03 2 227 219 23 GLU HG3 H 2.34 0.03 2 228 219 23 GLU C C 177.21 0.20 1 229 219 23 GLU CA C 57.88 0.20 1 230 219 23 GLU CB C 29.76 0.20 1 231 219 23 GLU CG C 36.32 0.20 1 232 219 23 GLU N N 119.26 0.30 1 233 220 24 ARG H H 7.97 0.03 1 234 220 24 ARG HA H 4.37 0.03 1 235 220 24 ARG HB2 H 1.79 0.03 2 236 220 24 ARG HB3 H 1.98 0.03 2 237 220 24 ARG HG2 H 1.67 0.03 2 238 220 24 ARG HG3 H 1.70 0.03 2 239 220 24 ARG HD3 H 3.22 0.03 2 240 220 24 ARG HE H 7.46 0.03 1 241 220 24 ARG C C 175.86 0.20 1 242 220 24 ARG CA C 55.35 0.20 1 243 220 24 ARG CB C 30.84 0.20 1 244 220 24 ARG CG C 27.07 0.20 1 245 220 24 ARG CD C 42.72 0.20 1 246 220 24 ARG N N 118.16 0.30 1 247 220 24 ARG NE N 84.81 0.30 1 248 221 25 ASN H H 8.17 0.03 1 249 221 25 ASN HA H 5.11 0.03 1 250 221 25 ASN HB2 H 2.77 0.03 2 251 221 25 ASN HB3 H 2.85 0.03 2 252 221 25 ASN HD21 H 6.88 0.03 2 253 221 25 ASN HD22 H 7.83 0.03 2 254 221 25 ASN CA C 51.51 0.20 1 255 221 25 ASN CB C 39.69 0.20 1 256 221 25 ASN N N 119.01 0.30 1 257 221 25 ASN ND2 N 113.39 0.30 1 258 222 26 PRO HA H 4.45 0.03 1 259 222 26 PRO HB2 H 2.00 0.03 2 260 222 26 PRO HB3 H 2.29 0.03 2 261 222 26 PRO HG3 H 2.02 0.03 2 262 222 26 PRO HD2 H 3.63 0.03 2 263 222 26 PRO HD3 H 3.71 0.03 2 264 222 26 PRO C C 178.12 0.20 1 265 222 26 PRO CA C 64.68 0.20 1 266 222 26 PRO CB C 32.27 0.20 1 267 222 26 PRO CG C 27.50 0.20 1 268 222 26 PRO CD C 50.83 0.20 1 269 223 27 THR H H 8.09 0.03 1 270 223 27 THR HA H 4.33 0.03 1 271 223 27 THR HB H 4.20 0.03 1 272 223 27 THR HG2 H 1.19 0.03 1 273 223 27 THR C C 175.22 0.20 1 274 223 27 THR CA C 63.20 0.20 1 275 223 27 THR CB C 69.51 0.20 1 276 223 27 THR CG2 C 21.82 0.20 1 277 223 27 THR N N 112.07 0.30 1 278 224 28 GLN H H 7.93 0.03 1 279 224 28 GLN HA H 4.14 0.03 1 280 224 28 GLN HB3 H 1.89 0.03 2 281 224 28 GLN HG3 H 2.10 0.03 2 282 224 28 GLN HE21 H 6.81 0.03 2 283 224 28 GLN HE22 H 7.46 0.03 2 284 224 28 GLN C C 176.05 0.20 1 285 224 28 GLN CA C 56.41 0.20 1 286 224 28 GLN CB C 29.16 0.20 1 287 224 28 GLN CG C 33.91 0.20 1 288 224 28 GLN N N 121.06 0.30 1 289 224 28 GLN NE2 N 112.27 0.30 1 290 225 29 PHE H H 7.82 0.03 1 291 225 29 PHE HA H 4.29 0.03 1 292 225 29 PHE HB2 H 2.83 0.03 2 293 225 29 PHE HB3 H 3.18 0.03 2 294 225 29 PHE HD1 H 7.28 0.03 3 295 225 29 PHE HE1 H 7.15 0.03 3 296 225 29 PHE HZ H 7.24 0.03 1 297 225 29 PHE C C 174.82 0.20 1 298 225 29 PHE CA C 57.65 0.20 1 299 225 29 PHE CB C 39.94 0.20 1 300 225 29 PHE CD1 C 132.07 0.20 1 301 225 29 PHE CE1 C 130.91 0.20 1 302 225 29 PHE CZ C 131.96 0.20 1 303 225 29 PHE N N 118.80 0.30 1 304 226 30 GLN H H 7.93 0.03 1 305 226 30 GLN HA H 4.29 0.03 1 306 226 30 GLN HB2 H 1.97 0.03 2 307 226 30 GLN HB3 H 2.06 0.03 2 308 226 30 GLN HG2 H 2.28 0.03 2 309 226 30 GLN HG3 H 2.37 0.03 2 310 226 30 GLN HE21 H 6.82 0.03 2 311 226 30 GLN HE22 H 7.50 0.03 2 312 226 30 GLN C C 175.28 0.20 1 313 226 30 GLN CA C 55.66 0.20 1 314 226 30 GLN CB C 29.77 0.20 1 315 226 30 GLN CG C 33.97 0.20 1 316 226 30 GLN N N 120.56 0.30 1 317 226 30 GLN NE2 N 112.25 0.30 1 318 227 31 LEU H H 8.35 0.03 1 319 227 31 LEU HA H 4.57 0.03 1 320 227 31 LEU HB2 H 1.58 0.03 2 321 227 31 LEU HB3 H 1.68 0.03 2 322 227 31 LEU HG H 1.78 0.03 1 323 227 31 LEU HD1 H 0.94 0.03 2 324 227 31 LEU HD2 H 0.92 0.03 2 325 227 31 LEU CA C 53.31 0.20 1 326 227 31 LEU CB C 41.86 0.20 1 327 227 31 LEU CG C 26.80 0.20 1 328 227 31 LEU CD1 C 25.86 0.20 2 329 227 31 LEU CD2 C 23.77 0.20 2 330 227 31 LEU N N 124.85 0.30 1 331 228 32 PRO HA H 4.37 0.03 1 332 228 32 PRO HB2 H 1.89 0.03 2 333 228 32 PRO HB3 H 2.29 0.03 2 334 228 32 PRO HG3 H 2.01 0.03 2 335 228 32 PRO HD2 H 3.65 0.03 2 336 228 32 PRO HD3 H 3.84 0.03 2 337 228 32 PRO C C 176.77 0.20 1 338 228 32 PRO CA C 63.68 0.20 1 339 228 32 PRO CB C 32.15 0.20 1 340 228 32 PRO CG C 27.38 0.20 1 341 228 32 PRO CD C 50.93 0.20 1 342 229 33 ASN H H 8.45 0.03 1 343 229 33 ASN HA H 4.60 0.03 1 344 229 33 ASN HB3 H 2.79 0.03 2 345 229 33 ASN HD21 H 6.87 0.03 2 346 229 33 ASN HD22 H 7.83 0.03 2 347 229 33 ASN C C 175.37 0.20 1 348 229 33 ASN CA C 53.64 0.20 1 349 229 33 ASN CB C 38.85 0.20 1 350 229 33 ASN N N 118.25 0.30 1 351 229 33 ASN ND2 N 113.70 0.30 1 352 230 34 GLU H H 8.42 0.03 1 353 230 34 GLU HA H 4.28 0.03 1 354 230 34 GLU HB2 H 1.97 0.03 2 355 230 34 GLU HB3 H 2.06 0.03 2 356 230 34 GLU HG3 H 2.25 0.03 2 357 230 34 GLU C C 176.42 0.20 1 358 230 34 GLU CA C 56.99 0.20 1 359 230 34 GLU CB C 30.15 0.20 1 360 230 34 GLU CG C 36.35 0.20 1 361 230 34 GLU N N 120.65 0.30 1 362 231 35 LEU H H 8.20 0.03 1 363 231 35 LEU HA H 4.39 0.03 1 364 231 35 LEU HB2 H 1.61 0.03 2 365 231 35 LEU HB3 H 1.69 0.03 2 366 231 35 LEU HG H 1.61 0.03 1 367 231 35 LEU HD1 H 0.92 0.03 2 368 231 35 LEU HD2 H 0.86 0.03 2 369 231 35 LEU C C 177.59 0.20 1 370 231 35 LEU CA C 55.40 0.20 1 371 231 35 LEU CB C 42.33 0.20 1 372 231 35 LEU CG C 27.19 0.20 1 373 231 35 LEU CD1 C 25.16 0.20 2 374 231 35 LEU CD2 C 23.56 0.20 2 375 231 35 LEU N N 122.04 0.30 1 376 232 36 THR H H 8.04 0.03 1 377 232 36 THR HA H 4.42 0.03 1 378 232 36 THR HB H 4.24 0.03 1 379 232 36 THR HG2 H 1.19 0.03 1 380 232 36 THR C C 174.41 0.20 1 381 232 36 THR CA C 62.01 0.20 1 382 232 36 THR CB C 69.94 0.20 1 383 232 36 THR CG2 C 21.66 0.20 1 384 232 36 THR N N 114.16 0.30 1 385 233 37 CYS H H 8.33 0.03 1 386 233 37 CYS HA H 4.59 0.03 1 387 233 37 CYS HB3 H 2.94 0.03 2 388 233 37 CYS C C 174.81 0.20 1 389 233 37 CYS CA C 58.57 0.20 1 390 233 37 CYS CB C 28.04 0.20 1 391 233 37 CYS N N 121.58 0.30 1 392 234 38 THR H H 8.35 0.03 1 393 234 38 THR HA H 4.33 0.03 1 394 234 38 THR HB H 4.21 0.03 1 395 234 38 THR HG2 H 1.19 0.03 1 396 234 38 THR C C 174.60 0.20 1 397 234 38 THR CA C 61.98 0.20 1 398 234 38 THR CB C 69.90 0.20 1 399 234 38 THR CG2 C 21.65 0.20 1 400 234 38 THR N N 116.90 0.30 1 401 235 39 THR H H 8.08 0.03 1 402 235 39 THR HA H 4.35 0.03 1 403 235 39 THR HB H 4.21 0.03 1 404 235 39 THR HG2 H 1.19 0.03 1 405 235 39 THR C C 173.87 0.20 1 406 235 39 THR CA C 61.93 0.20 1 407 235 39 THR CB C 69.45 0.20 1 408 235 39 THR CG2 C 21.73 0.20 1 409 235 39 THR N N 116.52 0.30 1 410 236 40 ALA H H 8.23 0.03 1 411 236 40 ALA HA H 4.32 0.03 1 412 236 40 ALA HB H 1.34 0.03 1 413 236 40 ALA C C 177.18 0.20 1 414 236 40 ALA CA C 52.26 0.20 1 415 236 40 ALA CB C 19.42 0.20 1 416 236 40 ALA N N 126.80 0.30 1 417 237 41 LEU H H 8.26 0.03 1 418 237 41 LEU HA H 4.58 0.03 1 419 237 41 LEU HB2 H 1.57 0.03 2 420 237 41 LEU HB3 H 1.68 0.03 2 421 237 41 LEU HG H 1.69 0.03 1 422 237 41 LEU HD1 H 0.93 0.03 2 423 237 41 LEU HD2 H 0.91 0.03 2 424 237 41 LEU CA C 53.05 0.20 1 425 237 41 LEU CB C 41.60 0.20 1 426 237 41 LEU CG C 26.21 0.20 1 427 237 41 LEU CD2 C 23.61 0.20 2 428 237 41 LEU N N 123.25 0.30 1 429 238 42 PRO HA H 4.39 0.03 1 430 238 42 PRO HB2 H 1.93 0.03 2 431 238 42 PRO HB3 H 2.30 0.03 2 432 238 42 PRO HG3 H 2.03 0.03 2 433 238 42 PRO HD2 H 3.65 0.03 2 434 238 42 PRO HD3 H 3.84 0.03 2 435 238 42 PRO C C 177.57 0.20 1 436 238 42 PRO CA C 63.46 0.20 1 437 238 42 PRO CB C 32.17 0.20 1 438 238 42 PRO CG C 27.64 0.20 1 439 238 42 PRO CD C 50.73 0.20 1 440 239 43 GLY H H 8.52 0.03 1 441 239 43 GLY HA3 H 3.99 0.03 2 442 239 43 GLY C C 174.26 0.20 1 443 239 43 GLY CA C 45.29 0.20 1 444 239 43 GLY N N 109.83 0.30 1 445 240 44 SER H H 8.12 0.03 1 446 240 44 SER HA H 4.51 0.03 1 447 240 44 SER HB2 H 3.87 0.03 2 448 240 44 SER HB3 H 3.91 0.03 2 449 240 44 SER C C 173.74 0.20 1 450 240 44 SER CA C 58.34 0.20 1 451 240 44 SER CB C 64.23 0.20 1 452 240 44 SER N N 115.67 0.30 1 453 241 45 SER H H 8.02 0.03 1 454 241 45 SER HA H 4.29 0.03 1 455 241 45 SER HB3 H 3.85 0.03 2 456 241 45 SER CA C 60.24 0.20 1 457 241 45 SER CB C 64.92 0.20 1 458 241 45 SER N N 122.90 0.30 1 stop_ save_