data_17273 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structures of human PIWI-like 1 PAZ domain with ssRNA (5'-pUGACA) ; _BMRB_accession_number 17273 _BMRB_flat_file_name bmr17273.str _Entry_type new _Submission_date 2010-11-01 _Accession_date 2010-11-01 _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 Zeng Lei . . 2 Zhang Qiang . . 3 Yan Kelley . . 4 Zhou Ming-Ming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 738 "13C chemical shifts" 456 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-13 update BMRB 'update entry citation' 2011-04-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17272 'human PIWI-like 1 PAZ domain' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insights into piRNA recognition by the human PIWI-like 1 PAZ domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21465557 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zeng Lei . . 2 Zhang Qiang . . 3 Yan Kelley . . 4 Zhou Ming-Ming . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 79 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2004 _Page_last 2009 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human PIWI-like 1 PAZ domain with ssRNA (5'-pUGACA)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAZ_domain $PAZ_domain ssRNA $RNA 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_PAZ_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PAZ_domain _Molecular_mass 15673.891 _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; CTDVSHKVLRSETVLDFMFN FYHQTEEHKFQEQVSKELIG LVVLTKYNNKTYRVDDIDWD QNPKSTFKKADGSEVSFLEY YRKQYNQEITDLKQPVLVSQ PKRRRGPGGTLPGPAMLIPE LCYLTGLTDKMRND ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 266 CYS 2 267 THR 3 268 ASP 4 269 VAL 5 270 SER 6 271 HIS 7 272 LYS 8 273 VAL 9 274 LEU 10 275 ARG 11 276 SER 12 277 GLU 13 278 THR 14 279 VAL 15 280 LEU 16 281 ASP 17 282 PHE 18 283 MET 19 284 PHE 20 285 ASN 21 286 PHE 22 287 TYR 23 288 HIS 24 289 GLN 25 290 THR 26 291 GLU 27 292 GLU 28 293 HIS 29 294 LYS 30 295 PHE 31 296 GLN 32 297 GLU 33 298 GLN 34 299 VAL 35 300 SER 36 301 LYS 37 302 GLU 38 303 LEU 39 304 ILE 40 305 GLY 41 306 LEU 42 307 VAL 43 308 VAL 44 309 LEU 45 310 THR 46 311 LYS 47 312 TYR 48 313 ASN 49 314 ASN 50 315 LYS 51 316 THR 52 317 TYR 53 318 ARG 54 319 VAL 55 320 ASP 56 321 ASP 57 322 ILE 58 323 ASP 59 324 TRP 60 325 ASP 61 326 GLN 62 327 ASN 63 328 PRO 64 329 LYS 65 330 SER 66 331 THR 67 332 PHE 68 333 LYS 69 334 LYS 70 335 ALA 71 336 ASP 72 337 GLY 73 338 SER 74 339 GLU 75 340 VAL 76 341 SER 77 342 PHE 78 343 LEU 79 344 GLU 80 345 TYR 81 346 TYR 82 347 ARG 83 348 LYS 84 349 GLN 85 350 TYR 86 351 ASN 87 352 GLN 88 353 GLU 89 354 ILE 90 355 THR 91 356 ASP 92 357 LEU 93 358 LYS 94 359 GLN 95 360 PRO 96 361 VAL 97 362 LEU 98 363 VAL 99 364 SER 100 365 GLN 101 366 PRO 102 367 LYS 103 368 ARG 104 369 ARG 105 370 ARG 106 371 GLY 107 372 PRO 108 373 GLY 109 374 GLY 110 375 THR 111 376 LEU 112 377 PRO 113 378 GLY 114 379 PRO 115 380 ALA 116 381 MET 117 382 LEU 118 383 ILE 119 384 PRO 120 385 GLU 121 386 LEU 122 387 CYS 123 388 TYR 124 389 LEU 125 390 THR 126 391 GLY 127 392 LEU 128 393 THR 129 394 ASP 130 395 LYS 131 396 MET 132 397 ARG 133 398 ASN 134 399 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 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 17272 "Human PIWI-like 1 PAZ domain" 100.00 134 100.00 100.00 1.80e-94 PDB 2L5C "Solution Structures Of Human Piwi-Like 1 Paz Domain" 100.00 134 100.00 100.00 1.80e-94 PDB 2L5D "Solution Structures Of Human Piwi-Like 1 Paz Domain With Ssrna (5'- Pugaca)" 100.00 134 100.00 100.00 1.80e-94 PDB 2XFM "Complex Structure Of The Miwi Paz Domain Bound To Methylated Single Stranded Rna" 93.28 150 97.60 98.40 7.01e-85 PDB 3O3I "Crystal Structure Of Human Hiwi1 Paz Domain (Residues 277-399) In Complex With 14-Mer Rna (12-Bp + 2-Nt Overhang) Containing 2'" 92.54 124 100.00 100.00 3.72e-86 PDB 3O6E "Crystal Structure Of Human Hiwi1 Paz Domain (Residues 277-399) In Complex With 14-Mer Rna (12-Bp + 2-Nt Overhang) Containing 2'" 92.54 124 98.39 98.39 4.34e-84 PDB 3O7V "Crystal Structure Of Human Hiwi1 (V361m) Paz Domain (Residues 277-399) In Complex With 14-Mer Rna (12-Bp + 2-Nt Overhang) Conta" 92.54 124 97.58 97.58 3.27e-83 DBJ BAA93705 "MIWI [Mus musculus]" 100.00 862 97.76 98.51 9.14e-85 DBJ BAC04068 "unnamed protein product [Homo sapiens]" 100.00 829 100.00 100.00 4.27e-87 DBJ BAF49084 "piwi-like 1 [Homo sapiens]" 100.00 530 99.25 100.00 2.07e-89 GB AAC97371 "HIWI [Homo sapiens]" 100.00 861 98.51 98.51 1.13e-84 GB AAH28581 "Piwi-like 1 (Drosophila) [Homo sapiens]" 100.00 861 100.00 100.00 7.69e-87 GB AAH66846 "Piwil1 protein, partial [Mus musculus]" 100.00 485 97.01 97.76 2.72e-87 GB AAI29858 "Piwi-like homolog 1 (Drosophila) [Mus musculus]" 100.00 862 97.76 98.51 9.14e-85 GB AAI29859 "Piwil1 protein [Mus musculus]" 100.00 835 97.76 98.51 5.54e-85 REF NP_001102323 "piwi-like protein 1 [Rattus norvegicus]" 100.00 862 97.76 98.51 9.14e-85 REF NP_001177900 "piwi-like protein 1 isoform 2 [Homo sapiens]" 100.00 829 100.00 100.00 4.27e-87 REF NP_001181902 "piwi-like protein 1 [Sus scrofa]" 100.00 861 97.76 99.25 6.47e-85 REF NP_001182640 "piwi-like protein 1 [Macaca mulatta]" 100.00 861 100.00 100.00 8.10e-87 REF NP_001302505 "piwi-like protein 1 [Bos taurus]" 100.00 861 97.76 99.25 2.13e-85 SP Q96J94 "RecName: Full=Piwi-like protein 1" 100.00 861 100.00 100.00 7.69e-87 SP Q9JMB7 "RecName: Full=Piwi-like protein 1" 100.00 862 97.76 98.51 9.14e-85 stop_ save_ save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 5 _Mol_residue_sequence UGAXA loop_ _Residue_seq_code _Residue_label 1 U 2 G 3 A 4 CYT 5 A stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_CYT _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 6-AMINOPYRIMIDIN-2(1H)-ONE _BMRB_code . _PDB_code CYT _Standard_residue_derivative . _Molecular_mass 111.102 _Mol_paramagnetic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:38:00 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N3 N3 N . 0 . ? C4 C4 C . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N4 N4 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? HN3 HN3 H . 0 . ? HN41 HN41 H . 0 . ? HN42 HN42 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N3 C4 ? ? SING N3 C2 ? ? SING N3 HN3 ? ? SING C4 N4 ? ? DOUB C4 C5 ? ? SING N1 C2 ? ? DOUB N1 C6 ? ? DOUB C2 O2 ? ? SING N4 HN41 ? ? SING N4 HN42 ? ? SING C5 C6 ? ? SING C5 H5 ? ? SING C6 H6 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $PAZ_domain Human 9606 Eukaryota Metazoa Homo sapiens BL21(DE3) 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 $PAZ_domain 'recombinant technology' . . . . pGEX4T-1 $RNA 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 100 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM '[U-100% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 100 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM '[U-100% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing 'chemical shift calculation' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.04 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_13C-Edited-13C/15N-filtered_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-Edited-13C/15N-filtered NOESY' _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 temperature 298 . K pH 6.5 . pH pressure 1 . atm 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 water H 1 protons ppm 4.85 internal direct . . . 1 . C 13 . ppm . . . . . . . . N 15 . ppm . . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PAZ_domain _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 1 267 2 THR HA H 4.427 0.04 1 2 267 2 THR HB H 4.249 0.04 1 3 267 2 THR HG2 H 1.233 0.04 1 4 267 2 THR CA C 61.870 0.4 1 5 267 2 THR CB C 69.651 0.4 1 6 267 2 THR CG2 C 21.170 0.4 1 7 268 3 ASP H H 8.611 0.04 1 8 268 3 ASP HA H 4.710 0.04 1 9 268 3 ASP HB2 H 2.766 0.04 2 10 268 3 ASP HB3 H 2.671 0.04 2 11 268 3 ASP CA C 54.183 0.4 1 12 268 3 ASP CB C 41.193 0.4 1 13 268 3 ASP N N 123.620 0.4 1 14 269 4 VAL H H 8.270 0.04 1 15 269 4 VAL HA H 4.209 0.04 1 16 269 4 VAL HB H 2.193 0.04 1 17 269 4 VAL HG1 H 0.946 0.04 2 18 269 4 VAL HG2 H 0.948 0.04 2 19 269 4 VAL CA C 62.180 0.4 1 20 269 4 VAL CB C 32.414 0.4 1 21 269 4 VAL CG1 C 21.145 0.4 1 22 269 4 VAL CG2 C 19.992 0.4 1 23 269 4 VAL N N 120.240 0.4 1 24 270 5 SER H H 8.429 0.04 1 25 270 5 SER HA H 4.393 0.04 1 26 270 5 SER HB2 H 3.874 0.04 2 27 270 5 SER CA C 58.682 0.4 1 28 270 5 SER CB C 63.700 0.4 1 29 270 5 SER N N 118.761 0.4 1 30 271 6 HIS H H 8.654 0.04 1 31 271 6 HIS HA H 4.711 0.04 1 32 271 6 HIS HB2 H 3.261 0.04 2 33 271 6 HIS HB3 H 3.149 0.04 2 34 271 6 HIS HD2 H 7.195 0.04 3 35 271 6 HIS CA C 55.597 0.4 1 36 271 6 HIS CB C 29.660 0.4 1 37 271 6 HIS CD2 C 119.806 0.4 1 38 271 6 HIS N N 119.470 0.4 1 39 272 7 LYS H H 8.243 0.04 1 40 272 7 LYS HA H 4.330 0.04 1 41 272 7 LYS HB2 H 1.790 0.04 2 42 272 7 LYS HD2 H 1.723 0.04 2 43 272 7 LYS HE2 H 3.037 0.04 2 44 272 7 LYS HG2 H 1.391 0.04 2 45 272 7 LYS CA C 56.135 0.4 1 46 272 7 LYS CB C 32.917 0.4 1 47 272 7 LYS CD C 29.043 0.4 1 48 272 7 LYS CE C 42.012 0.4 1 49 272 7 LYS CG C 24.938 0.4 1 50 272 7 LYS N N 122.575 0.4 1 51 273 8 VAL H H 8.226 0.04 1 52 273 8 VAL HA H 4.108 0.04 1 53 273 8 VAL HB H 2.074 0.04 1 54 273 8 VAL HG1 H 0.953 0.04 2 55 273 8 VAL HG2 H 0.966 0.04 2 56 273 8 VAL CA C 62.300 0.4 1 57 273 8 VAL CB C 32.715 0.4 1 58 273 8 VAL CG1 C 21.042 0.4 1 59 273 8 VAL CG2 C 20.648 0.4 1 60 273 8 VAL N N 122.030 0.4 1 61 274 9 LEU H H 8.413 0.04 1 62 274 9 LEU HA H 4.404 0.04 1 63 274 9 LEU HB2 H 1.664 0.04 2 64 274 9 LEU HB3 H 1.619 0.04 2 65 274 9 LEU HD1 H 0.949 0.04 2 66 274 9 LEU HD2 H 0.891 0.04 2 67 274 9 LEU HG H 1.656 0.04 1 68 274 9 LEU CA C 54.936 0.4 1 69 274 9 LEU CB C 42.330 0.4 1 70 274 9 LEU CD1 C 24.966 0.4 1 71 274 9 LEU CD2 C 23.652 0.4 1 72 274 9 LEU CG C 27.276 0.4 1 73 274 9 LEU N N 126.825 0.4 1 74 275 10 ARG H H 8.389 0.04 1 75 275 10 ARG HA H 4.401 0.04 1 76 275 10 ARG HB2 H 1.840 0.04 2 77 275 10 ARG HB3 H 1.784 0.04 2 78 275 10 ARG HD2 H 3.236 0.04 2 79 275 10 ARG HG2 H 1.660 0.04 2 80 275 10 ARG CA C 55.685 0.4 1 81 275 10 ARG CB C 31.038 0.4 1 82 275 10 ARG CD C 43.291 0.4 1 83 275 10 ARG CG C 27.195 0.4 1 84 275 10 ARG N N 122.176 0.4 1 85 276 11 SER H H 8.466 0.04 1 86 276 11 SER HA H 4.601 0.04 1 87 276 11 SER HB2 H 3.879 0.04 2 88 276 11 SER CA C 58.216 0.4 1 89 276 11 SER CB C 63.890 0.4 1 90 276 11 SER N N 117.618 0.4 1 91 277 12 GLU H H 8.681 0.04 1 92 277 12 GLU HA H 4.774 0.04 1 93 277 12 GLU HB2 H 2.311 0.04 2 94 277 12 GLU HB3 H 2.224 0.04 2 95 277 12 GLU HG2 H 2.484 0.04 2 96 277 12 GLU CA C 56.572 0.4 1 97 277 12 GLU CB C 31.880 0.4 1 98 277 12 GLU CG C 36.500 0.4 1 99 277 12 GLU N N 123.744 0.4 1 100 278 13 THR H H 9.126 0.04 1 101 278 13 THR HA H 5.050 0.04 1 102 278 13 THR HB H 4.672 0.04 1 103 278 13 THR HG2 H 0.982 0.04 1 104 278 13 THR CA C 60.214 0.4 1 105 278 13 THR CB C 72.620 0.4 1 106 278 13 THR CG2 C 20.938 0.4 1 107 278 13 THR N N 113.765 0.4 1 108 279 14 VAL H H 8.734 0.04 1 109 279 14 VAL HA H 3.610 0.04 1 110 279 14 VAL HB H 2.220 0.04 1 111 279 14 VAL HG1 H 0.811 0.04 2 112 279 14 VAL HG2 H 0.993 0.04 2 113 279 14 VAL CA C 65.885 0.4 1 114 279 14 VAL CB C 30.584 0.4 1 115 279 14 VAL CG1 C 24.657 0.4 1 116 279 14 VAL CG2 C 23.270 0.4 1 117 279 14 VAL N N 119.562 0.4 1 118 280 15 LEU H H 6.844 0.04 1 119 280 15 LEU HA H 4.130 0.04 1 120 280 15 LEU HB2 H 1.894 0.04 2 121 280 15 LEU HB3 H 1.008 0.04 2 122 280 15 LEU HD1 H 0.959 0.04 2 123 280 15 LEU HD2 H 0.951 0.04 2 124 280 15 LEU HG H 1.577 0.04 1 125 280 15 LEU CA C 57.587 0.4 1 126 280 15 LEU CB C 41.370 0.4 1 127 280 15 LEU CD1 C 25.890 0.4 1 128 280 15 LEU CD2 C 23.772 0.4 1 129 280 15 LEU CG C 26.157 0.4 1 130 280 15 LEU N N 120.286 0.4 1 131 281 16 ASP H H 7.754 0.04 1 132 281 16 ASP HA H 4.447 0.04 1 133 281 16 ASP HB2 H 3.170 0.04 2 134 281 16 ASP HB3 H 2.880 0.04 2 135 281 16 ASP CA C 57.759 0.4 1 136 281 16 ASP CB C 40.718 0.4 1 137 281 16 ASP N N 119.466 0.4 1 138 282 17 PHE H H 8.169 0.04 1 139 282 17 PHE HA H 4.350 0.04 1 140 282 17 PHE HB2 H 3.478 0.04 2 141 282 17 PHE HB3 H 3.312 0.04 2 142 282 17 PHE HD1 H 7.200 0.04 3 143 282 17 PHE HE1 H 7.200 0.04 3 144 282 17 PHE HZ H 7.350 0.04 1 145 282 17 PHE CA C 61.130 0.4 1 146 282 17 PHE CB C 39.270 0.4 1 147 282 17 PHE CD1 C 132.016 0.4 3 148 282 17 PHE CE1 C 131.070 0.4 3 149 282 17 PHE CZ C 130.180 0.4 1 150 282 17 PHE N N 120.637 0.4 1 151 283 18 MET H H 8.708 0.04 1 152 283 18 MET HA H 3.999 0.04 1 153 283 18 MET HB2 H 3.235 0.04 2 154 283 18 MET HB3 H 2.466 0.04 2 155 283 18 MET HE H 1.927 0.04 1 156 283 18 MET HG2 H 2.583 0.04 2 157 283 18 MET CA C 60.637 0.4 1 158 283 18 MET CB C 34.027 0.4 1 159 283 18 MET CE C 17.760 0.4 1 160 283 18 MET CG C 34.027 0.4 1 161 283 18 MET N N 118.687 0.4 1 162 284 19 PHE H H 8.582 0.04 1 163 284 19 PHE HA H 4.352 0.04 1 164 284 19 PHE HB2 H 3.314 0.04 2 165 284 19 PHE HD1 H 7.337 0.04 3 166 284 19 PHE HE1 H 7.387 0.04 3 167 284 19 PHE CA C 61.097 0.4 1 168 284 19 PHE CB C 38.790 0.4 1 169 284 19 PHE CD1 C 131.449 0.4 3 170 284 19 PHE CE1 C 130.014 0.4 3 171 284 19 PHE N N 118.702 0.4 1 172 285 20 ASN H H 8.162 0.04 1 173 285 20 ASN HA H 4.525 0.04 1 174 285 20 ASN HB2 H 2.800 0.04 2 175 285 20 ASN HB3 H 2.688 0.04 2 176 285 20 ASN HD21 H 7.556 0.04 2 177 285 20 ASN HD22 H 7.065 0.04 2 178 285 20 ASN CA C 55.770 0.4 1 179 285 20 ASN CB C 38.200 0.4 1 180 285 20 ASN N N 117.627 0.4 1 181 285 20 ASN ND2 N 113.980 0.4 1 182 286 21 PHE H H 8.195 0.04 1 183 286 21 PHE HA H 4.187 0.04 1 184 286 21 PHE HB2 H 3.181 0.04 2 185 286 21 PHE HB3 H 2.925 0.04 2 186 286 21 PHE HD1 H 7.171 0.04 3 187 286 21 PHE HE1 H 7.097 0.04 3 188 286 21 PHE HZ H 7.192 0.04 1 189 286 21 PHE CA C 60.234 0.4 1 190 286 21 PHE CB C 39.536 0.4 1 191 286 21 PHE CD1 C 131.934 0.4 3 192 286 21 PHE CE1 C 131.089 0.4 3 193 286 21 PHE CZ C 129.839 0.4 1 194 286 21 PHE N N 119.820 0.4 1 195 287 22 TYR H H 8.227 0.04 1 196 287 22 TYR HA H 3.921 0.04 1 197 287 22 TYR HB2 H 2.839 0.04 2 198 287 22 TYR HB3 H 2.722 0.04 2 199 287 22 TYR HD1 H 6.078 0.04 3 200 287 22 TYR HE1 H 6.580 0.04 3 201 287 22 TYR CA C 60.522 0.4 1 202 287 22 TYR CB C 38.224 0.4 1 203 287 22 TYR CD1 C 132.543 0.4 3 204 287 22 TYR CE1 C 117.830 0.4 3 205 287 22 TYR N N 120.555 0.4 1 206 288 23 HIS H H 7.586 0.04 1 207 288 23 HIS HA H 4.448 0.04 1 208 288 23 HIS HB2 H 3.314 0.04 2 209 288 23 HIS HB3 H 3.080 0.04 2 210 288 23 HIS HD2 H 7.135 0.04 3 211 288 23 HIS HE1 H 8.150 0.04 3 212 288 23 HIS CA C 56.646 0.4 1 213 288 23 HIS CB C 29.110 0.4 1 214 288 23 HIS CD2 C 120.206 0.4 1 215 288 23 HIS N N 115.550 0.4 1 216 289 24 GLN H H 7.761 0.04 1 217 289 24 GLN HA H 4.389 0.04 1 218 289 24 GLN HB2 H 2.111 0.04 2 219 289 24 GLN HB3 H 1.940 0.04 2 220 289 24 GLN HE21 H 7.317 0.04 2 221 289 24 GLN HE22 H 6.725 0.04 2 222 289 24 GLN HG2 H 2.278 0.04 2 223 289 24 GLN CA C 55.547 0.4 1 224 289 24 GLN CB C 29.310 0.4 1 225 289 24 GLN CG C 33.433 0.4 1 226 289 24 GLN N N 117.510 0.4 1 227 289 24 GLN NE2 N 111.980 0.4 1 228 290 25 THR H H 7.405 0.04 1 229 290 25 THR HA H 4.500 0.04 1 230 290 25 THR HB H 4.017 0.04 1 231 290 25 THR HG2 H 1.234 0.04 1 232 290 25 THR CA C 60.584 0.4 1 233 290 25 THR CB C 70.173 0.4 1 234 290 25 THR CG2 C 20.759 0.4 1 235 290 25 THR N N 113.050 0.4 1 236 291 26 GLU H H 8.310 0.04 1 237 291 26 GLU HA H 4.380 0.04 1 238 291 26 GLU HB2 H 2.163 0.04 2 239 291 26 GLU HB3 H 1.770 0.04 2 240 291 26 GLU HG2 H 2.344 0.04 2 241 291 26 GLU CA C 55.855 0.4 1 242 291 26 GLU CB C 30.840 0.4 1 243 291 26 GLU CG C 36.674 0.4 1 244 291 26 GLU N N 122.250 0.4 1 245 292 27 GLU H H 8.788 0.04 1 246 292 27 GLU HA H 3.961 0.04 1 247 292 27 GLU HB2 H 2.131 0.04 2 248 292 27 GLU HB3 H 2.025 0.04 2 249 292 27 GLU HG2 H 2.287 0.04 2 250 292 27 GLU HG3 H 2.223 0.04 2 251 292 27 GLU CA C 59.963 0.4 1 252 292 27 GLU CB C 29.710 0.4 1 253 292 27 GLU CG C 35.997 0.4 1 254 292 27 GLU N N 124.357 0.4 1 255 293 28 HIS HA H 4.523 0.04 1 256 293 28 HIS HB2 H 3.352 0.04 2 257 293 28 HIS HB3 H 3.214 0.04 2 258 293 28 HIS HD2 H 7.180 0.04 3 259 293 28 HIS HE1 H 8.190 0.04 3 260 293 28 HIS CA C 58.160 0.4 1 261 293 28 HIS CB C 28.770 0.4 1 262 293 28 HIS CD2 C 119.280 0.4 1 263 293 28 HIS CE1 C 137.770 0.4 1 264 294 29 LYS H H 7.478 0.04 1 265 294 29 LYS HA H 4.465 0.04 1 266 294 29 LYS HB2 H 1.936 0.04 2 267 294 29 LYS HB3 H 1.689 0.04 2 268 294 29 LYS HD2 H 1.662 0.04 2 269 294 29 LYS HE2 H 2.970 0.04 2 270 294 29 LYS HG2 H 1.142 0.04 2 271 294 29 LYS CA C 56.320 0.4 1 272 294 29 LYS CB C 33.090 0.4 1 273 294 29 LYS CD C 28.967 0.4 1 274 294 29 LYS CE C 41.998 0.4 1 275 294 29 LYS CG C 24.852 0.4 1 276 294 29 LYS N N 118.823 0.4 1 277 295 30 PHE H H 7.551 0.04 1 278 295 30 PHE HA H 4.290 0.04 1 279 295 30 PHE HB2 H 3.350 0.04 2 280 295 30 PHE HB3 H 3.020 0.04 2 281 295 30 PHE HD1 H 7.190 0.04 3 282 295 30 PHE HE1 H 7.550 0.04 3 283 295 30 PHE HZ H 7.250 0.04 1 284 295 30 PHE CA C 61.322 0.4 1 285 295 30 PHE CB C 39.300 0.4 1 286 295 30 PHE CD1 C 132.145 0.4 3 287 295 30 PHE CE1 C 131.730 0.4 3 288 295 30 PHE CZ C 129.840 0.4 1 289 295 30 PHE N N 119.900 0.4 1 290 296 31 GLN H H 8.418 0.04 1 291 296 31 GLN HA H 3.051 0.04 1 292 296 31 GLN HB2 H 1.496 0.04 2 293 296 31 GLN HB3 H 0.777 0.04 2 294 296 31 GLN HG2 H 1.664 0.04 2 295 296 31 GLN HG3 H 0.225 0.04 2 296 296 31 GLN CA C 58.900 0.4 1 297 296 31 GLN CB C 26.949 0.4 1 298 296 31 GLN CG C 32.450 0.4 1 299 296 31 GLN N N 117.200 0.4 1 300 297 32 GLU H H 8.313 0.04 1 301 297 32 GLU HA H 4.050 0.04 1 302 297 32 GLU HB2 H 2.131 0.04 2 303 297 32 GLU HB3 H 2.050 0.04 2 304 297 32 GLU HG2 H 2.347 0.04 2 305 297 32 GLU HG3 H 2.237 0.04 2 306 297 32 GLU CA C 59.190 0.4 1 307 297 32 GLU CB C 29.750 0.4 1 308 297 32 GLU CG C 36.215 0.4 1 309 297 32 GLU N N 119.980 0.4 1 310 298 33 GLN H H 8.199 0.04 1 311 298 33 GLN HA H 4.098 0.04 1 312 298 33 GLN HB2 H 2.330 0.04 2 313 298 33 GLN HB3 H 2.242 0.04 2 314 298 33 GLN HE21 H 7.661 0.04 2 315 298 33 GLN HE22 H 6.986 0.04 2 316 298 33 GLN HG2 H 2.650 0.04 2 317 298 33 GLN HG3 H 2.494 0.04 2 318 298 33 GLN CA C 58.770 0.4 1 319 298 33 GLN CB C 28.785 0.4 1 320 298 33 GLN CG C 34.400 0.4 1 321 298 33 GLN N N 118.044 0.4 1 322 298 33 GLN NE2 N 111.703 0.4 1 323 299 34 VAL H H 8.904 0.04 1 324 299 34 VAL HA H 3.207 0.04 1 325 299 34 VAL HB H 1.748 0.04 1 326 299 34 VAL HG1 H 0.696 0.04 2 327 299 34 VAL HG2 H 0.832 0.04 2 328 299 34 VAL CA C 65.186 0.4 1 329 299 34 VAL CB C 31.043 0.4 1 330 299 34 VAL CG1 C 24.126 0.4 1 331 299 34 VAL CG2 C 21.668 0.4 1 332 299 34 VAL N N 119.841 0.4 1 333 300 35 SER H H 7.827 0.04 1 334 300 35 SER HA H 4.179 0.04 1 335 300 35 SER HB2 H 4.085 0.04 2 336 300 35 SER CA C 63.106 0.4 1 337 300 35 SER N N 117.070 0.4 1 338 301 36 LYS H H 7.265 0.04 1 339 301 36 LYS HA H 4.073 0.04 1 340 301 36 LYS HB2 H 2.004 0.04 2 341 301 36 LYS HD2 H 1.719 0.04 2 342 301 36 LYS HE2 H 3.057 0.04 2 343 301 36 LYS HG2 H 1.652 0.04 2 344 301 36 LYS HG3 H 1.555 0.04 2 345 301 36 LYS CA C 58.432 0.4 1 346 301 36 LYS CB C 32.235 0.4 1 347 301 36 LYS CD C 28.864 0.4 1 348 301 36 LYS CE C 41.938 0.4 1 349 301 36 LYS CG C 25.228 0.4 1 350 301 36 LYS N N 118.410 0.4 1 351 302 37 GLU H H 7.285 0.04 1 352 302 37 GLU HA H 4.211 0.04 1 353 302 37 GLU HB2 H 2.221 0.04 2 354 302 37 GLU HB3 H 1.890 0.04 2 355 302 37 GLU HG2 H 2.318 0.04 2 356 302 37 GLU HG3 H 2.096 0.04 2 357 302 37 GLU CA C 57.373 0.4 1 358 302 37 GLU CB C 29.840 0.4 1 359 302 37 GLU CG C 35.646 0.4 1 360 302 37 GLU N N 115.437 0.4 1 361 303 38 LEU H H 7.730 0.04 1 362 303 38 LEU HA H 4.258 0.04 1 363 303 38 LEU HB2 H 1.710 0.04 2 364 303 38 LEU HB3 H 1.319 0.04 2 365 303 38 LEU HD1 H 0.770 0.04 2 366 303 38 LEU HD2 H 0.624 0.04 2 367 303 38 LEU HG H 1.743 0.04 1 368 303 38 LEU CA C 55.850 0.4 1 369 303 38 LEU CB C 44.940 0.4 1 370 303 38 LEU CD1 C 26.142 0.4 1 371 303 38 LEU CD2 C 24.777 0.4 1 372 303 38 LEU CG C 27.160 0.4 1 373 303 38 LEU N N 116.745 0.4 1 374 304 39 ILE H H 7.694 0.04 1 375 304 39 ILE HA H 3.580 0.04 1 376 304 39 ILE HB H 1.876 0.04 1 377 304 39 ILE HD1 H 0.962 0.04 1 378 304 39 ILE HG12 H 1.773 0.04 1 379 304 39 ILE HG13 H 0.826 0.04 1 380 304 39 ILE HG2 H 0.957 0.04 1 381 304 39 ILE CA C 64.180 0.4 1 382 304 39 ILE CB C 36.630 0.4 1 383 304 39 ILE CD1 C 13.562 0.4 1 384 304 39 ILE CG1 C 29.806 0.4 1 385 304 39 ILE CG2 C 17.052 0.4 1 386 304 39 ILE N N 117.690 0.4 1 387 305 40 GLY H H 9.543 0.04 1 388 305 40 GLY HA2 H 4.512 0.04 2 389 305 40 GLY HA3 H 3.439 0.04 2 390 305 40 GLY CA C 44.320 0.4 1 391 305 40 GLY N N 117.600 0.4 1 392 306 41 LEU H H 8.064 0.04 1 393 306 41 LEU HA H 4.396 0.04 1 394 306 41 LEU HB2 H 1.873 0.04 2 395 306 41 LEU HB3 H 1.371 0.04 2 396 306 41 LEU HD1 H 0.651 0.04 2 397 306 41 LEU HD2 H 0.819 0.04 2 398 306 41 LEU HG H 1.823 0.04 1 399 306 41 LEU CA C 55.224 0.4 1 400 306 41 LEU CB C 41.905 0.4 1 401 306 41 LEU CD1 C 24.252 0.4 1 402 306 41 LEU CD2 C 22.669 0.4 1 403 306 41 LEU CG C 26.889 0.4 1 404 306 41 LEU N N 120.810 0.4 1 405 307 42 VAL H H 7.932 0.04 1 406 307 42 VAL HA H 4.890 0.04 1 407 307 42 VAL HB H 1.810 0.04 1 408 307 42 VAL HG1 H 0.820 0.04 2 409 307 42 VAL HG2 H 0.820 0.04 2 410 307 42 VAL CA C 61.310 0.4 1 411 307 42 VAL CB C 32.070 0.4 1 412 307 42 VAL CG1 C 21.690 0.4 1 413 307 42 VAL CG2 C 21.290 0.4 1 414 307 42 VAL N N 119.861 0.4 1 415 308 43 VAL H H 9.344 0.04 1 416 308 43 VAL HA H 5.307 0.04 1 417 308 43 VAL HB H 1.998 0.04 1 418 308 43 VAL HG1 H 0.640 0.04 2 419 308 43 VAL HG2 H 0.760 0.04 2 420 308 43 VAL CA C 58.000 0.4 1 421 308 43 VAL CB C 35.061 0.4 1 422 308 43 VAL CG1 C 21.663 0.4 1 423 308 43 VAL CG2 C 17.967 0.4 1 424 308 43 VAL N N 121.128 0.4 1 425 309 44 LEU H H 9.091 0.04 1 426 309 44 LEU HA H 5.316 0.04 1 427 309 44 LEU HB2 H 1.699 0.04 2 428 309 44 LEU HB3 H 1.369 0.04 2 429 309 44 LEU HD1 H 0.793 0.04 2 430 309 44 LEU HD2 H 0.756 0.04 2 431 309 44 LEU HG H 1.376 0.04 1 432 309 44 LEU CA C 52.914 0.4 1 433 309 44 LEU CB C 46.350 0.4 1 434 309 44 LEU CD1 C 26.186 0.4 1 435 309 44 LEU CD2 C 23.791 0.4 1 436 309 44 LEU CG C 27.490 0.4 1 437 309 44 LEU N N 122.680 0.4 1 438 310 45 THR H H 9.363 0.04 1 439 310 45 THR HA H 4.930 0.04 1 440 310 45 THR HB H 3.391 0.04 1 441 310 45 THR HG2 H 1.269 0.04 1 442 310 45 THR CA C 59.230 0.4 1 443 310 45 THR CB C 68.591 0.4 1 444 310 45 THR CG2 C 23.225 0.4 1 445 310 45 THR N N 115.990 0.4 1 446 311 46 LYS H H 9.003 0.04 1 447 311 46 LYS HA H 4.097 0.04 1 448 311 46 LYS HB2 H 1.829 0.04 2 449 311 46 LYS HB3 H 1.741 0.04 2 450 311 46 LYS HD2 H 1.502 0.04 2 451 311 46 LYS HD3 H 1.292 0.04 2 452 311 46 LYS HE2 H 2.588 0.04 2 453 311 46 LYS HE3 H 2.140 0.04 2 454 311 46 LYS HG2 H 1.246 0.04 2 455 311 46 LYS HG3 H 0.783 0.04 2 456 311 46 LYS CA C 58.171 0.4 1 457 311 46 LYS CB C 33.330 0.4 1 458 311 46 LYS CD C 29.820 0.4 1 459 311 46 LYS CE C 41.257 0.4 1 460 311 46 LYS CG C 26.293 0.4 1 461 311 46 LYS N N 122.238 0.4 1 462 312 47 TYR H H 6.928 0.04 1 463 312 47 TYR HA H 4.626 0.04 1 464 312 47 TYR HB2 H 3.102 0.04 2 465 312 47 TYR HB3 H 2.797 0.04 2 466 312 47 TYR HD1 H 6.610 0.04 3 467 312 47 TYR HE1 H 6.726 0.04 3 468 312 47 TYR CA C 56.860 0.4 1 469 312 47 TYR CB C 37.420 0.4 1 470 312 47 TYR CD1 C 132.830 0.4 3 471 312 47 TYR CE1 C 118.727 0.4 3 472 312 47 TYR N N 111.817 0.4 1 473 313 48 ASN H H 6.736 0.04 1 474 313 48 ASN HA H 4.860 0.04 1 475 313 48 ASN HB2 H 3.382 0.04 2 476 313 48 ASN HB3 H 2.876 0.04 2 477 313 48 ASN HD21 H 7.986 0.04 2 478 313 48 ASN HD22 H 6.907 0.04 2 479 313 48 ASN CA C 52.129 0.4 1 480 313 48 ASN CB C 38.302 0.4 1 481 313 48 ASN N N 117.370 0.4 1 482 313 48 ASN ND2 N 109.395 0.4 1 483 314 49 ASN H H 7.798 0.04 1 484 314 49 ASN HA H 4.461 0.04 1 485 314 49 ASN HB2 H 3.099 0.04 2 486 314 49 ASN HB3 H 2.660 0.04 2 487 314 49 ASN HD21 H 7.555 0.04 2 488 314 49 ASN HD22 H 6.757 0.04 2 489 314 49 ASN CA C 54.023 0.4 1 490 314 49 ASN CB C 37.880 0.4 1 491 314 49 ASN N N 116.530 0.4 1 492 314 49 ASN ND2 N 111.840 0.4 1 493 315 50 LYS H H 7.466 0.04 1 494 315 50 LYS HA H 4.518 0.04 1 495 315 50 LYS HB2 H 1.578 0.04 2 496 315 50 LYS HB3 H 1.372 0.04 2 497 315 50 LYS HD2 H 1.655 0.04 2 498 315 50 LYS HE2 H 2.976 0.04 2 499 315 50 LYS HG2 H 1.315 0.04 2 500 315 50 LYS HG3 H 1.149 0.04 2 501 315 50 LYS CA C 55.343 0.4 1 502 315 50 LYS CB C 35.244 0.4 1 503 315 50 LYS CD C 28.849 0.4 1 504 315 50 LYS CE C 41.897 0.4 1 505 315 50 LYS CG C 25.559 0.4 1 506 315 50 LYS N N 118.670 0.4 1 507 316 51 THR H H 7.412 0.04 1 508 316 51 THR HA H 5.630 0.04 1 509 316 51 THR HB H 3.900 0.04 1 510 316 51 THR HG2 H 1.044 0.04 1 511 316 51 THR CA C 58.637 0.4 1 512 316 51 THR CB C 71.503 0.4 1 513 316 51 THR CG2 C 22.025 0.4 1 514 316 51 THR N N 107.711 0.4 1 515 317 52 TYR H H 8.880 0.04 1 516 317 52 TYR HA H 4.677 0.04 1 517 317 52 TYR HB2 H 2.931 0.04 2 518 317 52 TYR HB3 H 2.243 0.04 2 519 317 52 TYR HD1 H 6.846 0.04 3 520 317 52 TYR HE1 H 6.920 0.04 3 521 317 52 TYR CA C 56.840 0.4 1 522 317 52 TYR CB C 43.208 0.4 1 523 317 52 TYR CD1 C 133.275 0.4 3 524 317 52 TYR CE1 C 118.612 0.4 3 525 317 52 TYR N N 118.130 0.4 1 526 318 53 ARG H H 8.898 0.04 1 527 318 53 ARG HA H 4.866 0.04 1 528 318 53 ARG HB2 H 1.888 0.04 2 529 318 53 ARG HB3 H 1.655 0.04 2 530 318 53 ARG HD2 H 3.320 0.04 2 531 318 53 ARG HD3 H 3.230 0.04 2 532 318 53 ARG HG2 H 1.359 0.04 2 533 318 53 ARG CA C 55.013 0.4 1 534 318 53 ARG CB C 31.400 0.4 1 535 318 53 ARG CD C 43.355 0.4 1 536 318 53 ARG CG C 27.730 0.4 1 537 318 53 ARG N N 123.130 0.4 1 538 319 54 VAL H H 8.970 0.04 1 539 319 54 VAL HA H 3.610 0.04 1 540 319 54 VAL HB H 2.497 0.04 1 541 319 54 VAL HG1 H 0.815 0.04 2 542 319 54 VAL HG2 H 0.768 0.04 2 543 319 54 VAL CA C 64.252 0.4 1 544 319 54 VAL CB C 30.682 0.4 1 545 319 54 VAL CG1 C 22.528 0.4 1 546 319 54 VAL CG2 C 22.528 0.4 1 547 319 54 VAL N N 127.080 0.4 1 548 320 55 ASP H H 9.142 0.04 1 549 320 55 ASP HA H 5.041 0.04 1 550 320 55 ASP HB2 H 2.788 0.04 2 551 320 55 ASP HB3 H 2.492 0.04 2 552 320 55 ASP CA C 55.631 0.4 1 553 320 55 ASP CB C 43.807 0.4 1 554 320 55 ASP N N 129.407 0.4 1 555 321 56 ASP H H 8.360 0.04 1 556 321 56 ASP HA H 4.748 0.04 1 557 321 56 ASP HB2 H 2.694 0.04 2 558 321 56 ASP HB3 H 2.256 0.04 2 559 321 56 ASP CA C 52.650 0.4 1 560 321 56 ASP CB C 43.292 0.4 1 561 321 56 ASP N N 116.820 0.4 1 562 322 57 ILE H H 8.775 0.04 1 563 322 57 ILE HA H 4.167 0.04 1 564 322 57 ILE HB H 1.423 0.04 1 565 322 57 ILE HD1 H 0.734 0.04 1 566 322 57 ILE HG12 H 1.282 0.04 1 567 322 57 ILE HG13 H 0.618 0.04 1 568 322 57 ILE HG2 H -0.493 0.04 1 569 322 57 ILE CA C 61.052 0.4 1 570 322 57 ILE CB C 40.755 0.4 1 571 322 57 ILE CD1 C 15.500 0.4 1 572 322 57 ILE CG1 C 27.239 0.4 1 573 322 57 ILE CG2 C 16.278 0.4 1 574 322 57 ILE N N 119.652 0.4 1 575 323 58 ASP H H 9.063 0.04 1 576 323 58 ASP HA H 4.898 0.04 1 577 323 58 ASP HB2 H 2.881 0.04 2 578 323 58 ASP HB3 H 2.125 0.04 2 579 323 58 ASP CA C 51.863 0.4 1 580 323 58 ASP CB C 40.215 0.4 1 581 323 58 ASP N N 126.350 0.4 1 582 324 59 TRP H H 8.213 0.04 1 583 324 59 TRP HA H 4.510 0.04 1 584 324 59 TRP HB2 H 3.634 0.04 2 585 324 59 TRP HB3 H 3.030 0.04 2 586 324 59 TRP HD1 H 7.300 0.04 1 587 324 59 TRP HE1 H 9.550 0.04 3 588 324 59 TRP HE3 H 7.943 0.04 3 589 324 59 TRP HH2 H 6.796 0.04 1 590 324 59 TRP HZ2 H 7.139 0.04 3 591 324 59 TRP HZ3 H 7.304 0.04 3 592 324 59 TRP CA C 58.143 0.4 1 593 324 59 TRP CB C 28.693 0.4 1 594 324 59 TRP CD1 C 128.068 0.4 3 595 324 59 TRP CE3 C 121.819 0.4 3 596 324 59 TRP CH2 C 123.566 0.4 1 597 324 59 TRP CZ2 C 114.085 0.4 3 598 324 59 TRP CZ3 C 121.850 0.4 3 599 324 59 TRP N N 123.397 0.4 1 600 324 59 TRP NE1 N 127.950 0.4 1 601 325 60 ASP H H 8.769 0.04 1 602 325 60 ASP HA H 4.931 0.04 1 603 325 60 ASP HB2 H 2.958 0.04 2 604 325 60 ASP CA C 54.748 0.4 1 605 325 60 ASP CB C 41.374 0.4 1 606 325 60 ASP N N 118.225 0.4 1 607 326 61 GLN H H 7.266 0.04 1 608 326 61 GLN HA H 4.743 0.04 1 609 326 61 GLN HB2 H 2.278 0.04 2 610 326 61 GLN HB3 H 1.603 0.04 2 611 326 61 GLN HE21 H 8.048 0.04 2 612 326 61 GLN HE22 H 6.209 0.04 2 613 326 61 GLN HG2 H 2.439 0.04 2 614 326 61 GLN HG3 H 2.142 0.04 2 615 326 61 GLN CA C 55.054 0.4 1 616 326 61 GLN CB C 35.100 0.4 1 617 326 61 GLN CG C 35.860 0.4 1 618 326 61 GLN N N 117.815 0.4 1 619 326 61 GLN NE2 N 109.128 0.4 1 620 327 62 ASN H H 8.784 0.04 1 621 327 62 ASN HA H 5.500 0.04 1 622 327 62 ASN HB2 H 3.148 0.04 2 623 327 62 ASN HB3 H 2.799 0.04 2 624 327 62 ASN HD21 H 7.838 0.04 2 625 327 62 ASN HD22 H 6.701 0.04 2 626 327 62 ASN CA C 52.480 0.4 1 627 327 62 ASN CB C 39.010 0.4 1 628 327 62 ASN N N 116.084 0.4 1 629 327 62 ASN ND2 N 114.379 0.4 1 630 328 63 PRO HA H 4.567 0.04 1 631 328 63 PRO HB2 H 2.445 0.04 2 632 328 63 PRO HB3 H 2.202 0.04 2 633 328 63 PRO HD2 H 3.569 0.04 2 634 328 63 PRO HD3 H 3.634 0.04 2 635 328 63 PRO HG2 H 2.021 0.04 2 636 328 63 PRO HG3 H 1.925 0.04 2 637 328 63 PRO CA C 65.857 0.4 1 638 328 63 PRO CB C 30.870 0.4 1 639 328 63 PRO CD C 50.530 0.4 1 640 328 63 PRO CG C 24.732 0.4 1 641 329 64 LYS H H 8.456 0.04 1 642 329 64 LYS HA H 4.500 0.04 1 643 329 64 LYS HB2 H 2.113 0.04 2 644 329 64 LYS HD2 H 1.888 0.04 2 645 329 64 LYS HE2 H 3.125 0.04 2 646 329 64 LYS HG2 H 1.707 0.04 2 647 329 64 LYS HG3 H 1.572 0.04 2 648 329 64 LYS CA C 57.181 0.4 1 649 329 64 LYS CB C 31.660 0.4 1 650 329 64 LYS CD C 29.063 0.4 1 651 329 64 LYS CE C 41.450 0.4 1 652 329 64 LYS CG C 25.940 0.4 1 653 329 64 LYS N N 111.420 0.4 1 654 330 65 SER H H 8.652 0.04 1 655 330 65 SER HA H 4.546 0.04 1 656 330 65 SER HB2 H 4.491 0.04 2 657 330 65 SER CA C 60.759 0.4 1 658 330 65 SER CB C 63.149 0.4 1 659 330 65 SER N N 119.440 0.4 1 660 331 66 THR H H 8.040 0.04 1 661 331 66 THR HA H 4.970 0.04 1 662 331 66 THR HB H 3.838 0.04 1 663 331 66 THR HG2 H 0.992 0.04 1 664 331 66 THR CA C 59.137 0.4 1 665 331 66 THR CB C 71.822 0.4 1 666 331 66 THR CG2 C 21.227 0.4 1 667 331 66 THR N N 108.840 0.4 1 668 332 67 PHE H H 8.555 0.04 1 669 332 67 PHE HA H 4.817 0.04 1 670 332 67 PHE HB2 H 2.912 0.04 2 671 332 67 PHE HB3 H 2.670 0.04 2 672 332 67 PHE HD1 H 6.300 0.04 3 673 332 67 PHE HE1 H 6.450 0.04 3 674 332 67 PHE HZ H 5.787 0.04 1 675 332 67 PHE CA C 54.969 0.4 1 676 332 67 PHE CB C 41.370 0.4 1 677 332 67 PHE CD1 C 132.600 0.4 3 678 332 67 PHE CE1 C 130.060 0.4 3 679 332 67 PHE CZ C 128.367 0.4 1 680 332 67 PHE N N 118.760 0.4 1 681 333 68 LYS H H 8.265 0.04 1 682 333 68 LYS HA H 4.752 0.04 1 683 333 68 LYS HB2 H 1.686 0.04 2 684 333 68 LYS HD2 H 1.644 0.04 2 685 333 68 LYS HE2 H 2.970 0.04 2 686 333 68 LYS HG2 H 1.359 0.04 2 687 333 68 LYS CA C 54.680 0.4 1 688 333 68 LYS CB C 33.570 0.4 1 689 333 68 LYS CD C 29.300 0.4 1 690 333 68 LYS CE C 41.890 0.4 1 691 333 68 LYS CG C 25.157 0.4 1 692 333 68 LYS N N 118.470 0.4 1 693 334 69 LYS H H 8.711 0.04 1 694 334 69 LYS HA H 4.396 0.04 1 695 334 69 LYS HB2 H 2.013 0.04 2 696 334 69 LYS HB3 H 1.900 0.04 2 697 334 69 LYS HD2 H 1.660 0.04 2 698 334 69 LYS HE2 H 2.880 0.04 2 699 334 69 LYS HG2 H 1.334 0.04 2 700 334 69 LYS CA C 55.850 0.4 1 701 334 69 LYS CB C 33.601 0.4 1 702 334 69 LYS CD C 29.305 0.4 1 703 334 69 LYS CE C 41.427 0.4 1 704 334 69 LYS CG C 25.630 0.4 1 705 334 69 LYS N N 123.947 0.4 1 706 335 70 ALA H H 8.865 0.04 1 707 335 70 ALA HA H 4.188 0.04 1 708 335 70 ALA HB H 1.530 0.04 1 709 335 70 ALA CA C 54.973 0.4 1 710 335 70 ALA CB C 18.287 0.4 1 711 335 70 ALA N N 124.350 0.4 1 712 336 71 ASP H H 7.662 0.04 1 713 336 71 ASP HA H 4.520 0.04 1 714 336 71 ASP HB2 H 3.140 0.04 2 715 336 71 ASP HB3 H 2.670 0.04 2 716 336 71 ASP CA C 53.349 0.4 1 717 336 71 ASP CB C 39.690 0.4 1 718 336 71 ASP N N 113.823 0.4 1 719 337 72 GLY H H 8.212 0.04 1 720 337 72 GLY HA2 H 4.402 0.04 2 721 337 72 GLY HA3 H 3.588 0.04 2 722 337 72 GLY CA C 44.902 0.4 1 723 337 72 GLY N N 108.807 0.4 1 724 338 73 SER H H 8.233 0.04 1 725 338 73 SER HA H 4.384 0.04 1 726 338 73 SER HB2 H 3.876 0.04 2 727 338 73 SER CA C 58.917 0.4 1 728 338 73 SER CB C 63.952 0.4 1 729 338 73 SER N N 117.800 0.4 1 730 339 74 GLU H H 8.426 0.04 1 731 339 74 GLU HA H 5.008 0.04 1 732 339 74 GLU HB2 H 1.747 0.04 2 733 339 74 GLU HG2 H 2.087 0.04 2 734 339 74 GLU HG3 H 1.931 0.04 2 735 339 74 GLU CA C 55.020 0.4 1 736 339 74 GLU CB C 32.440 0.4 1 737 339 74 GLU CG C 36.975 0.4 1 738 339 74 GLU N N 120.328 0.4 1 739 340 75 VAL H H 8.281 0.04 1 740 340 75 VAL HA H 4.496 0.04 1 741 340 75 VAL HB H 1.752 0.04 1 742 340 75 VAL HG1 H 0.463 0.04 2 743 340 75 VAL HG2 H 0.814 0.04 2 744 340 75 VAL CA C 59.217 0.4 1 745 340 75 VAL CB C 35.752 0.4 1 746 340 75 VAL CG1 C 20.715 0.4 1 747 340 75 VAL CG2 C 20.489 0.4 1 748 340 75 VAL N N 121.560 0.4 1 749 341 76 SER H H 8.453 0.04 1 750 341 76 SER HA H 5.156 0.04 1 751 341 76 SER HB2 H 4.424 0.04 2 752 341 76 SER HB3 H 3.940 0.04 2 753 341 76 SER CA C 56.320 0.4 1 754 341 76 SER CB C 65.388 0.4 1 755 341 76 SER N N 118.283 0.4 1 756 342 77 PHE H H 8.214 0.04 1 757 342 77 PHE HA H 4.586 0.04 1 758 342 77 PHE HB2 H 3.648 0.04 2 759 342 77 PHE HB3 H 3.167 0.04 2 760 342 77 PHE HD1 H 7.442 0.04 3 761 342 77 PHE HE1 H 7.089 0.04 3 762 342 77 PHE HZ H 7.213 0.04 1 763 342 77 PHE CA C 63.930 0.4 1 764 342 77 PHE CB C 38.486 0.4 1 765 342 77 PHE CD1 C 131.586 0.4 3 766 342 77 PHE CE1 C 131.951 0.4 3 767 342 77 PHE CZ C 129.837 0.4 1 768 342 77 PHE N N 119.220 0.4 1 769 343 78 LEU H H 8.561 0.04 1 770 343 78 LEU HA H 4.219 0.04 1 771 343 78 LEU HB2 H 1.858 0.04 2 772 343 78 LEU HB3 H 1.579 0.04 2 773 343 78 LEU HD1 H 1.054 0.04 2 774 343 78 LEU HD2 H 0.999 0.04 2 775 343 78 LEU HG H 1.677 0.04 1 776 343 78 LEU CA C 58.768 0.4 1 777 343 78 LEU CB C 43.690 0.4 1 778 343 78 LEU CD1 C 25.630 0.4 1 779 343 78 LEU CD2 C 25.110 0.4 1 780 343 78 LEU CG C 26.930 0.4 1 781 343 78 LEU N N 117.502 0.4 1 782 344 79 GLU H H 8.182 0.04 1 783 344 79 GLU HA H 4.173 0.04 1 784 344 79 GLU HB2 H 2.187 0.04 2 785 344 79 GLU HB3 H 2.090 0.04 2 786 344 79 GLU HG2 H 2.359 0.04 2 787 344 79 GLU HG3 H 2.286 0.04 2 788 344 79 GLU CA C 58.950 0.4 1 789 344 79 GLU CB C 29.795 0.4 1 790 344 79 GLU CG C 36.419 0.4 1 791 344 79 GLU N N 119.292 0.4 1 792 345 80 TYR H H 8.920 0.04 1 793 345 80 TYR HA H 4.321 0.04 1 794 345 80 TYR HB2 H 3.302 0.04 2 795 345 80 TYR HB3 H 3.163 0.04 2 796 345 80 TYR HD1 H 6.731 0.04 3 797 345 80 TYR HE1 H 6.614 0.04 3 798 345 80 TYR CA C 61.306 0.4 1 799 345 80 TYR CB C 39.270 0.4 1 800 345 80 TYR CD1 C 133.090 0.4 3 801 345 80 TYR CE1 C 117.610 0.4 3 802 345 80 TYR N N 121.130 0.4 1 803 346 81 TYR H H 8.977 0.04 1 804 346 81 TYR HA H 3.832 0.04 1 805 346 81 TYR HB2 H 3.092 0.04 2 806 346 81 TYR HB3 H 2.931 0.04 2 807 346 81 TYR HD1 H 7.210 0.04 3 808 346 81 TYR HE1 H 6.652 0.04 3 809 346 81 TYR CA C 64.980 0.4 1 810 346 81 TYR CB C 37.170 0.4 1 811 346 81 TYR CD1 C 132.830 0.4 3 812 346 81 TYR CE1 C 118.478 0.4 3 813 346 81 TYR N N 115.280 0.4 1 814 347 82 ARG H H 7.579 0.04 1 815 347 82 ARG HA H 4.181 0.04 1 816 347 82 ARG HB2 H 2.137 0.04 2 817 347 82 ARG HB3 H 2.009 0.04 2 818 347 82 ARG HD2 H 3.231 0.04 2 819 347 82 ARG HE H 8.063 0.04 1 820 347 82 ARG HG2 H 1.804 0.04 2 821 347 82 ARG HG3 H 1.647 0.04 2 822 347 82 ARG CA C 59.735 0.4 1 823 347 82 ARG CB C 30.890 0.4 1 824 347 82 ARG CD C 43.489 0.4 1 825 347 82 ARG CG C 26.965 0.4 1 826 347 82 ARG N N 120.810 0.4 1 827 347 82 ARG NE N 107.590 0.4 1 828 348 83 LYS H H 8.395 0.04 1 829 348 83 LYS HA H 4.080 0.04 1 830 348 83 LYS HB2 H 1.928 0.04 2 831 348 83 LYS HB3 H 1.814 0.04 2 832 348 83 LYS HD2 H 1.700 0.04 2 833 348 83 LYS HE2 H 3.020 0.04 2 834 348 83 LYS HG2 H 1.555 0.04 2 835 348 83 LYS HG3 H 1.478 0.04 2 836 348 83 LYS CA C 58.867 0.4 1 837 348 83 LYS CB C 32.912 0.4 1 838 348 83 LYS CD C 28.780 0.4 1 839 348 83 LYS CE C 41.960 0.4 1 840 348 83 LYS CG C 25.351 0.4 1 841 348 83 LYS N N 118.595 0.4 1 842 349 84 GLN H H 8.798 0.04 1 843 349 84 GLN HA H 3.776 0.04 1 844 349 84 GLN HB2 H 1.169 0.04 2 845 349 84 GLN HB3 H 0.701 0.04 2 846 349 84 GLN HE21 H 7.053 0.04 2 847 349 84 GLN HE22 H 6.810 0.04 2 848 349 84 GLN HG2 H 1.653 0.04 2 849 349 84 GLN HG3 H 1.024 0.04 2 850 349 84 GLN CA C 56.900 0.4 1 851 349 84 GLN CB C 27.962 0.4 1 852 349 84 GLN CG C 32.247 0.4 1 853 349 84 GLN N N 116.089 0.4 1 854 349 84 GLN NE2 N 112.185 0.4 1 855 350 85 TYR H H 6.436 0.04 1 856 350 85 TYR HA H 5.080 0.04 1 857 350 85 TYR HB2 H 3.488 0.04 2 858 350 85 TYR HB3 H 2.520 0.04 2 859 350 85 TYR HD1 H 6.937 0.04 3 860 350 85 TYR HE1 H 6.803 0.04 3 861 350 85 TYR CA C 56.580 0.4 1 862 350 85 TYR CB C 41.110 0.4 1 863 350 85 TYR CD1 C 133.495 0.4 3 864 350 85 TYR CE1 C 118.200 0.4 3 865 350 85 TYR N N 110.200 0.4 1 866 351 86 ASN H H 7.631 0.04 1 867 351 86 ASN HA H 4.921 0.04 1 868 351 86 ASN HB2 H 3.261 0.04 2 869 351 86 ASN HB3 H 2.814 0.04 2 870 351 86 ASN HD21 H 7.625 0.04 2 871 351 86 ASN HD22 H 6.875 0.04 2 872 351 86 ASN CA C 54.665 0.4 1 873 351 86 ASN CB C 37.473 0.4 1 874 351 86 ASN N N 118.834 0.4 1 875 351 86 ASN ND2 N 112.165 0.4 1 876 352 87 GLN H H 7.893 0.04 1 877 352 87 GLN HA H 4.552 0.04 1 878 352 87 GLN HB2 H 2.100 0.04 2 879 352 87 GLN HB3 H 1.707 0.04 2 880 352 87 GLN HE21 H 7.546 0.04 2 881 352 87 GLN HE22 H 7.195 0.04 2 882 352 87 GLN HG2 H 2.393 0.04 2 883 352 87 GLN HG3 H 1.970 0.04 2 884 352 87 GLN CA C 53.464 0.4 1 885 352 87 GLN CB C 31.660 0.4 1 886 352 87 GLN CG C 33.502 0.4 1 887 352 87 GLN N N 115.744 0.4 1 888 352 87 GLN NE2 N 115.280 0.4 1 889 353 88 GLU H H 8.640 0.04 1 890 353 88 GLU HA H 4.414 0.04 1 891 353 88 GLU HB2 H 1.950 0.04 2 892 353 88 GLU HB3 H 1.840 0.04 2 893 353 88 GLU HG2 H 2.131 0.04 2 894 353 88 GLU CA C 55.010 0.4 1 895 353 88 GLU CB C 30.596 0.4 1 896 353 88 GLU CG C 35.371 0.4 1 897 353 88 GLU N N 124.425 0.4 1 898 354 89 ILE H H 7.912 0.04 1 899 354 89 ILE HA H 3.790 0.04 1 900 354 89 ILE HB H 1.659 0.04 1 901 354 89 ILE HD1 H 0.926 0.04 1 902 354 89 ILE HG12 H 1.696 0.04 1 903 354 89 ILE HG13 H 0.622 0.04 1 904 354 89 ILE HG2 H 0.829 0.04 1 905 354 89 ILE CA C 61.624 0.4 1 906 354 89 ILE CB C 39.540 0.4 1 907 354 89 ILE CD1 C 15.153 0.4 1 908 354 89 ILE CG1 C 28.520 0.4 1 909 354 89 ILE CG2 C 18.241 0.4 1 910 354 89 ILE N N 126.717 0.4 1 911 355 90 THR H H 9.619 0.04 1 912 355 90 THR HA H 4.490 0.04 1 913 355 90 THR HB H 4.186 0.04 1 914 355 90 THR HG2 H 1.208 0.04 1 915 355 90 THR CA C 62.982 0.4 1 916 355 90 THR CB C 70.260 0.4 1 917 355 90 THR CG2 C 21.472 0.4 1 918 355 90 THR N N 119.245 0.4 1 919 356 91 ASP H H 8.330 0.04 1 920 356 91 ASP HA H 4.881 0.04 1 921 356 91 ASP HB2 H 3.046 0.04 2 922 356 91 ASP HB3 H 2.387 0.04 2 923 356 91 ASP CA C 53.793 0.4 1 924 356 91 ASP CB C 42.423 0.4 1 925 356 91 ASP N N 124.986 0.4 1 926 357 92 LEU H H 8.886 0.04 1 927 357 92 LEU HA H 4.307 0.04 1 928 357 92 LEU HB2 H 1.767 0.04 2 929 357 92 LEU HD1 H 1.012 0.04 2 930 357 92 LEU HD2 H 0.814 0.04 2 931 357 92 LEU HG H 1.801 0.04 1 932 357 92 LEU CA C 55.013 0.4 1 933 357 92 LEU CB C 40.534 0.4 1 934 357 92 LEU CD1 C 25.455 0.4 1 935 357 92 LEU CD2 C 23.142 0.4 1 936 357 92 LEU CG C 27.181 0.4 1 937 357 92 LEU N N 124.730 0.4 1 938 358 93 LYS H H 8.591 0.04 1 939 358 93 LYS HA H 4.613 0.04 1 940 358 93 LYS HB2 H 2.053 0.04 2 941 358 93 LYS HB3 H 1.970 0.04 2 942 358 93 LYS HD2 H 1.752 0.04 2 943 358 93 LYS HE2 H 3.073 0.04 2 944 358 93 LYS HG2 H 1.515 0.04 2 945 358 93 LYS HG3 H 1.455 0.04 2 946 358 93 LYS CA C 55.574 0.4 1 947 358 93 LYS CB C 33.710 0.4 1 948 358 93 LYS CD C 28.833 0.4 1 949 358 93 LYS CE C 41.871 0.4 1 950 358 93 LYS CG C 25.037 0.4 1 951 358 93 LYS N N 118.100 0.4 1 952 359 94 GLN H H 7.234 0.04 1 953 359 94 GLN HA H 4.546 0.04 1 954 359 94 GLN HB2 H 2.230 0.04 2 955 359 94 GLN HB3 H 1.855 0.04 2 956 359 94 GLN HG2 H 2.108 0.04 2 957 359 94 GLN CA C 53.757 0.4 1 958 359 94 GLN CB C 29.043 0.4 1 959 359 94 GLN CG C 31.660 0.4 1 960 359 94 GLN N N 121.790 0.4 1 961 360 95 PRO HA H 5.175 0.04 1 962 360 95 PRO HB2 H 1.659 0.04 2 963 360 95 PRO HB3 H 0.997 0.04 2 964 360 95 PRO HD2 H 3.684 0.04 2 965 360 95 PRO HD3 H 3.260 0.04 2 966 360 95 PRO HG2 H 0.784 0.04 2 967 360 95 PRO CA C 61.331 0.4 1 968 360 95 PRO CB C 32.620 0.4 1 969 360 95 PRO CD C 48.455 0.4 1 970 361 96 VAL H H 6.296 0.04 1 971 361 96 VAL HA H 4.024 0.04 1 972 361 96 VAL HB H 1.456 0.04 1 973 361 96 VAL HG1 H 0.429 0.04 2 974 361 96 VAL HG2 H 0.234 0.04 2 975 361 96 VAL CA C 60.780 0.4 1 976 361 96 VAL CB C 34.550 0.4 1 977 361 96 VAL CG1 C 21.754 0.4 1 978 361 96 VAL CG2 C 21.732 0.4 1 979 361 96 VAL N N 110.900 0.4 1 980 362 97 LEU H H 8.862 0.04 1 981 362 97 LEU HA H 4.475 0.04 1 982 362 97 LEU HB2 H 1.699 0.04 2 983 362 97 LEU HB3 H 1.194 0.04 2 984 362 97 LEU HD1 H 0.707 0.04 2 985 362 97 LEU HD2 H 0.546 0.04 2 986 362 97 LEU HG H 1.414 0.04 1 987 362 97 LEU CA C 52.937 0.4 1 988 362 97 LEU CB C 42.150 0.4 1 989 362 97 LEU CD1 C 25.108 0.4 1 990 362 97 LEU CD2 C 23.069 0.4 1 991 362 97 LEU CG C 26.490 0.4 1 992 362 97 LEU N N 122.862 0.4 1 993 363 98 VAL H H 8.335 0.04 1 994 363 98 VAL HA H 4.617 0.04 1 995 363 98 VAL HB H 1.670 0.04 1 996 363 98 VAL HG1 H 0.790 0.04 2 997 363 98 VAL HG2 H 0.910 0.04 2 998 363 98 VAL CA C 61.531 0.4 1 999 363 98 VAL CB C 34.049 0.4 1 1000 363 98 VAL CG1 C 20.080 0.4 1 1001 363 98 VAL CG2 C 21.250 0.4 1 1002 363 98 VAL N N 122.123 0.4 1 1003 364 99 SER H H 8.793 0.04 1 1004 364 99 SER HA H 5.216 0.04 1 1005 364 99 SER HB2 H 3.670 0.04 2 1006 364 99 SER HB3 H 3.459 0.04 2 1007 364 99 SER CA C 56.890 0.4 1 1008 364 99 SER CB C 65.702 0.4 1 1009 364 99 SER N N 121.618 0.4 1 1010 365 100 GLN H H 10.259 0.04 1 1011 365 100 GLN HA H 4.734 0.04 1 1012 365 100 GLN HB2 H 2.160 0.04 2 1013 365 100 GLN HB3 H 1.962 0.04 2 1014 365 100 GLN HG2 H 2.404 0.04 2 1015 365 100 GLN CA C 53.502 0.4 1 1016 365 100 GLN CB C 28.740 0.4 1 1017 365 100 GLN CG C 32.768 0.4 1 1018 365 100 GLN N N 128.476 0.4 1 1019 366 101 PRO HA H 4.574 0.04 1 1020 366 101 PRO HB2 H 2.370 0.04 2 1021 366 101 PRO HB3 H 2.070 0.04 2 1022 366 101 PRO HD2 H 3.867 0.04 2 1023 366 101 PRO HD3 H 3.800 0.04 2 1024 366 101 PRO HG2 H 2.072 0.04 2 1025 366 101 PRO CA C 63.670 0.4 1 1026 366 101 PRO CB C 32.415 0.4 1 1027 366 101 PRO CD C 50.816 0.4 1 1028 366 101 PRO CG C 27.476 0.4 1 1029 367 102 LYS H H 8.529 0.04 1 1030 367 102 LYS HA H 4.310 0.04 1 1031 367 102 LYS HB2 H 1.906 0.04 2 1032 367 102 LYS HB3 H 1.812 0.04 2 1033 367 102 LYS HG2 H 1.556 0.04 2 1034 367 102 LYS HZ H 3.000 0.04 1 1035 367 102 LYS CA C 56.160 0.4 1 1036 367 102 LYS CB C 32.780 0.4 1 1037 367 102 LYS N N 121.493 0.4 1 1038 367 102 LYS NZ N 109.840 0.4 1 1039 368 103 ARG H H 8.248 0.04 1 1040 368 103 ARG HA H 4.311 0.04 1 1041 368 103 ARG HB2 H 1.823 0.04 2 1042 368 103 ARG HD2 H 3.220 0.04 2 1043 368 103 ARG HG2 H 1.642 0.04 2 1044 368 103 ARG CA C 55.700 0.4 1 1045 368 103 ARG CB C 30.520 0.4 1 1046 368 103 ARG N N 120.989 0.4 1 1047 369 104 ARG H H 8.431 0.04 1 1048 369 104 ARG HA H 4.347 0.04 1 1049 369 104 ARG HB2 H 1.799 0.04 2 1050 369 104 ARG HD2 H 3.229 0.04 2 1051 369 104 ARG HG2 H 1.653 0.04 2 1052 369 104 ARG CA C 56.200 0.4 1 1053 369 104 ARG CB C 30.040 0.4 1 1054 369 104 ARG N N 122.950 0.4 1 1055 370 105 ARG H H 8.493 0.04 1 1056 370 105 ARG HA H 4.359 0.04 1 1057 370 105 ARG HB2 H 1.833 0.04 2 1058 370 105 ARG HD2 H 3.216 0.04 2 1059 370 105 ARG HG2 H 1.680 0.04 2 1060 370 105 ARG CA C 55.680 0.4 1 1061 370 105 ARG CB C 30.650 0.4 1 1062 370 105 ARG N N 121.630 0.4 1 1063 371 106 GLY H H 8.401 0.04 1 1064 371 106 GLY HA2 H 4.253 0.04 2 1065 371 106 GLY HA3 H 4.096 0.04 2 1066 371 106 GLY CA C 44.330 0.4 1 1067 371 106 GLY N N 110.342 0.4 1 1068 372 107 PRO HA H 4.490 0.04 1 1069 372 107 PRO HB2 H 2.350 0.04 2 1070 372 107 PRO HB3 H 2.040 0.04 2 1071 372 107 PRO HD2 H 3.688 0.04 2 1072 372 107 PRO HG2 H 2.090 0.04 2 1073 372 107 PRO CA C 63.670 0.4 1 1074 372 107 PRO CB C 31.970 0.4 1 1075 372 107 PRO CD C 49.792 0.4 1 1076 372 107 PRO CG C 27.298 0.4 1 1077 373 108 GLY H H 8.800 0.04 1 1078 373 108 GLY HA2 H 4.076 0.04 2 1079 373 108 GLY HA3 H 3.954 0.04 2 1080 373 108 GLY CA C 44.258 0.4 1 1081 373 108 GLY N N 110.440 0.4 1 1082 374 109 GLY H H 8.277 0.04 1 1083 374 109 GLY HA2 H 4.086 0.04 2 1084 374 109 GLY HA3 H 3.987 0.04 2 1085 374 109 GLY CA C 45.315 0.4 1 1086 374 109 GLY N N 108.159 0.4 1 1087 375 110 THR H H 7.890 0.04 1 1088 375 110 THR HA H 4.376 0.04 1 1089 375 110 THR HB H 4.200 0.04 1 1090 375 110 THR HG2 H 1.247 0.04 1 1091 375 110 THR CA C 61.431 0.4 1 1092 375 110 THR CB C 70.260 0.4 1 1093 375 110 THR CG2 C 21.733 0.4 1 1094 375 110 THR N N 113.800 0.4 1 1095 376 111 LEU H H 8.604 0.04 1 1096 376 111 LEU HA H 4.731 0.04 1 1097 376 111 LEU HB2 H 1.661 0.04 2 1098 376 111 LEU HD1 H 0.969 0.04 2 1099 376 111 LEU HD2 H 0.906 0.04 2 1100 376 111 LEU HG H 2.062 0.04 1 1101 376 111 LEU CA C 52.891 0.4 1 1102 376 111 LEU CB C 42.159 0.4 1 1103 376 111 LEU CD1 C 25.110 0.4 1 1104 376 111 LEU CD2 C 24.000 0.4 1 1105 376 111 LEU CG C 27.412 0.4 1 1106 376 111 LEU N N 126.030 0.4 1 1107 377 112 PRO HA H 4.573 0.04 1 1108 377 112 PRO HB2 H 2.386 0.04 2 1109 377 112 PRO HB3 H 2.062 0.04 2 1110 377 112 PRO HD2 H 3.975 0.04 2 1111 377 112 PRO HD3 H 3.675 0.04 2 1112 377 112 PRO HG2 H 2.063 0.04 2 1113 377 112 PRO CA C 62.838 0.4 1 1114 377 112 PRO CB C 32.475 0.4 1 1115 377 112 PRO CD C 50.807 0.4 1 1116 377 112 PRO CG C 27.435 0.4 1 1117 378 113 GLY H H 8.302 0.04 1 1118 378 113 GLY HA2 H 4.350 0.04 2 1119 378 113 GLY HA3 H 3.931 0.04 2 1120 378 113 GLY CA C 44.001 0.4 1 1121 378 113 GLY N N 107.597 0.4 1 1122 379 114 PRO HA H 4.564 0.04 1 1123 379 114 PRO HB2 H 1.955 0.04 2 1124 379 114 PRO HB3 H 1.786 0.04 2 1125 379 114 PRO HD2 H 3.850 0.04 2 1126 379 114 PRO HD3 H 3.668 0.04 2 1127 379 114 PRO HG2 H 2.072 0.04 2 1128 379 114 PRO CA C 62.719 0.4 1 1129 379 114 PRO CB C 32.350 0.4 1 1130 379 114 PRO CD C 50.926 0.4 1 1131 379 114 PRO CG C 27.476 0.4 1 1132 380 115 ALA H H 8.947 0.04 1 1133 380 115 ALA HA H 4.479 0.04 1 1134 380 115 ALA HB H 1.250 0.04 1 1135 380 115 ALA CA C 51.254 0.4 1 1136 380 115 ALA CB C 20.150 0.4 1 1137 380 115 ALA N N 124.531 0.4 1 1138 381 116 MET H H 7.969 0.04 1 1139 381 116 MET HA H 5.084 0.04 1 1140 381 116 MET HB2 H 1.938 0.04 2 1141 381 116 MET HB3 H 1.451 0.04 2 1142 381 116 MET HE H 2.040 0.04 1 1143 381 116 MET HG2 H 2.708 0.04 2 1144 381 116 MET HG3 H 2.412 0.04 2 1145 381 116 MET CA C 53.170 0.4 1 1146 381 116 MET CB C 32.500 0.4 1 1147 381 116 MET CE C 18.050 0.4 1 1148 381 116 MET CG C 32.730 0.4 1 1149 381 116 MET N N 121.370 0.4 1 1150 382 117 LEU H H 9.078 0.04 1 1151 382 117 LEU HA H 4.621 0.04 1 1152 382 117 LEU HB2 H 1.307 0.04 2 1153 382 117 LEU HB3 H 1.039 0.04 2 1154 382 117 LEU HD1 H 0.104 0.04 2 1155 382 117 LEU HD2 H 0.086 0.04 2 1156 382 117 LEU HG H 0.957 0.04 1 1157 382 117 LEU CA C 52.303 0.4 1 1158 382 117 LEU CB C 45.307 0.4 1 1159 382 117 LEU CD1 C 25.118 0.4 1 1160 382 117 LEU CD2 C 22.172 0.4 1 1161 382 117 LEU CG C 26.408 0.4 1 1162 382 117 LEU N N 124.058 0.4 1 1163 383 118 ILE H H 8.332 0.04 1 1164 383 118 ILE HA H 4.536 0.04 1 1165 383 118 ILE HB H 1.696 0.04 1 1166 383 118 ILE HD1 H 0.169 0.04 1 1167 383 118 ILE HG12 H 1.234 0.04 1 1168 383 118 ILE HG13 H 0.838 0.04 1 1169 383 118 ILE HG2 H 0.718 0.04 1 1170 383 118 ILE CA C 53.960 0.4 1 1171 383 118 ILE CB C 36.650 0.4 1 1172 383 118 ILE CD1 C 7.721 0.4 1 1173 383 118 ILE CG1 C 25.632 0.4 1 1174 383 118 ILE CG2 C 17.030 0.4 1 1175 383 118 ILE N N 121.346 0.4 1 1176 384 119 PRO HA H 3.820 0.04 1 1177 384 119 PRO HB2 H 2.460 0.04 2 1178 384 119 PRO HB3 H 1.960 0.04 2 1179 384 119 PRO HD2 H 4.186 0.04 2 1180 384 119 PRO HG2 H 1.487 0.04 2 1181 384 119 PRO CA C 67.536 0.4 1 1182 384 119 PRO CB C 31.440 0.4 1 1183 384 119 PRO CD C 52.914 0.4 1 1184 384 119 PRO CG C 27.469 0.4 1 1185 385 120 GLU H H 9.130 0.04 1 1186 385 120 GLU HA H 4.000 0.04 1 1187 385 120 GLU HB2 H 2.680 0.04 2 1188 385 120 GLU HB3 H 1.670 0.04 2 1189 385 120 GLU HG2 H 2.530 0.04 2 1190 385 120 GLU HG3 H 2.410 0.04 2 1191 385 120 GLU CA C 58.028 0.4 1 1192 385 120 GLU CB C 32.100 0.4 1 1193 385 120 GLU CG C 35.060 0.4 1 1194 385 120 GLU N N 116.370 0.4 1 1195 386 121 LEU H H 8.031 0.04 1 1196 386 121 LEU HA H 4.596 0.04 1 1197 386 121 LEU HB2 H 2.044 0.04 2 1198 386 121 LEU HB3 H 1.980 0.04 2 1199 386 121 LEU HD1 H 0.299 0.04 2 1200 386 121 LEU HD2 H 0.853 0.04 2 1201 386 121 LEU HG H 1.220 0.04 1 1202 386 121 LEU CA C 52.652 0.4 1 1203 386 121 LEU CB C 42.420 0.4 1 1204 386 121 LEU CD1 C 25.821 0.4 1 1205 386 121 LEU CD2 C 22.089 0.4 1 1206 386 121 LEU CG C 27.570 0.4 1 1207 386 121 LEU N N 112.430 0.4 1 1208 387 122 CYS H H 7.367 0.04 1 1209 387 122 CYS HA H 5.036 0.04 1 1210 387 122 CYS HB2 H 2.791 0.04 2 1211 387 122 CYS HB3 H 2.228 0.04 2 1212 387 122 CYS CA C 57.900 0.4 1 1213 387 122 CYS CB C 30.617 0.4 1 1214 387 122 CYS N N 115.167 0.4 1 1215 388 123 TYR H H 9.706 0.04 1 1216 388 123 TYR HA H 4.795 0.04 1 1217 388 123 TYR HB2 H 3.102 0.04 2 1218 388 123 TYR HB3 H 2.861 0.04 2 1219 388 123 TYR HD1 H 7.140 0.04 3 1220 388 123 TYR HE1 H 6.831 0.04 3 1221 388 123 TYR CA C 57.630 0.4 1 1222 388 123 TYR CB C 40.022 0.4 1 1223 388 123 TYR CD1 C 133.054 0.4 3 1224 388 123 TYR CE1 C 118.310 0.4 3 1225 388 123 TYR N N 121.440 0.4 1 1226 389 124 LEU H H 8.610 0.04 1 1227 389 124 LEU HA H 4.427 0.04 1 1228 389 124 LEU HB2 H 1.725 0.04 2 1229 389 124 LEU HB3 H 1.607 0.04 2 1230 389 124 LEU HD1 H 0.685 0.04 2 1231 389 124 LEU HD2 H 0.654 0.04 2 1232 389 124 LEU HG H 1.498 0.04 1 1233 389 124 LEU CA C 56.054 0.4 1 1234 389 124 LEU CB C 41.890 0.4 1 1235 389 124 LEU CD1 C 25.556 0.4 1 1236 389 124 LEU CD2 C 24.180 0.4 1 1237 389 124 LEU CG C 27.720 0.4 1 1238 389 124 LEU N N 121.660 0.4 1 1239 390 125 THR H H 8.396 0.04 1 1240 390 125 THR HA H 4.616 0.04 1 1241 390 125 THR HB H 4.261 0.04 1 1242 390 125 THR HG2 H 1.226 0.04 1 1243 390 125 THR CA C 61.575 0.4 1 1244 390 125 THR CB C 71.270 0.4 1 1245 390 125 THR CG2 C 21.603 0.4 1 1246 390 125 THR N N 111.240 0.4 1 1247 391 126 GLY H H 8.483 0.04 1 1248 391 126 GLY HA2 H 4.152 0.04 2 1249 391 126 GLY HA3 H 3.995 0.04 2 1250 391 126 GLY CA C 45.193 0.4 1 1251 391 126 GLY N N 110.100 0.4 1 1252 392 127 LEU H H 8.224 0.04 1 1253 392 127 LEU HA H 4.600 0.04 1 1254 392 127 LEU HB2 H 1.733 0.04 2 1255 392 127 LEU HB3 H 1.578 0.04 2 1256 392 127 LEU HD1 H 0.940 0.04 2 1257 392 127 LEU HD2 H 0.907 0.04 2 1258 392 127 LEU HG H 1.594 0.04 1 1259 392 127 LEU CA C 54.773 0.4 1 1260 392 127 LEU CB C 42.650 0.4 1 1261 392 127 LEU CD1 C 25.081 0.4 1 1262 392 127 LEU CD2 C 23.250 0.4 1 1263 392 127 LEU CG C 27.114 0.4 1 1264 392 127 LEU N N 121.429 0.4 1 1265 393 128 THR H H 8.196 0.04 1 1266 393 128 THR HA H 4.615 0.04 1 1267 393 128 THR HB H 4.236 0.04 1 1268 393 128 THR HG2 H 1.223 0.04 1 1269 393 128 THR CA C 60.799 0.4 1 1270 393 128 THR CB C 70.730 0.4 1 1271 393 128 THR CG2 C 21.670 0.4 1 1272 393 128 THR N N 113.190 0.4 1 1273 394 129 ASP H H 8.651 0.04 1 1274 394 129 ASP HA H 4.711 0.04 1 1275 394 129 ASP HB2 H 2.640 0.04 2 1276 394 129 ASP HB3 H 2.578 0.04 2 1277 394 129 ASP CA C 54.122 0.4 1 1278 394 129 ASP CB C 41.282 0.4 1 1279 394 129 ASP N N 122.716 0.4 1 1280 395 130 LYS H H 8.331 0.04 1 1281 395 130 LYS HA H 4.332 0.04 1 1282 395 130 LYS HB2 H 1.897 0.04 2 1283 395 130 LYS HB3 H 1.805 0.04 2 1284 395 130 LYS HD2 H 1.723 0.04 2 1285 395 130 LYS HE2 H 3.022 0.04 2 1286 395 130 LYS HG2 H 1.481 0.04 2 1287 395 130 LYS CA C 56.209 0.4 1 1288 395 130 LYS CB C 32.901 0.4 1 1289 395 130 LYS CD C 28.881 0.4 1 1290 395 130 LYS CE C 41.883 0.4 1 1291 395 130 LYS CG C 24.928 0.4 1 1292 395 130 LYS N N 121.377 0.4 1 1293 396 131 MET H H 8.392 0.04 1 1294 396 131 MET HA H 4.452 0.04 1 1295 396 131 MET HB2 H 2.649 0.04 2 1296 396 131 MET HB3 H 2.568 0.04 2 1297 396 131 MET HE H 2.129 0.04 1 1298 396 131 MET HG2 H 2.140 0.04 2 1299 396 131 MET HG3 H 2.075 0.04 2 1300 396 131 MET CA C 55.704 0.4 1 1301 396 131 MET CB C 32.177 0.4 1 1302 396 131 MET CE C 16.975 0.4 1 1303 396 131 MET CG C 32.649 0.4 1 1304 396 131 MET N N 120.490 0.4 1 1305 397 132 ARG H H 8.260 0.04 1 1306 397 132 ARG HA H 4.382 0.04 1 1307 397 132 ARG HB2 H 1.885 0.04 2 1308 397 132 ARG HB3 H 1.814 0.04 2 1309 397 132 ARG HD2 H 3.245 0.04 2 1310 397 132 ARG HG2 H 1.672 0.04 2 1311 397 132 ARG CA C 55.900 0.4 1 1312 397 132 ARG CB C 30.960 0.4 1 1313 397 132 ARG CD C 43.263 0.4 1 1314 397 132 ARG CG C 27.243 0.4 1 1315 397 132 ARG N N 121.521 0.4 1 1316 398 133 ASN H H 8.596 0.04 1 1317 398 133 ASN HA H 4.841 0.04 1 1318 398 133 ASN HB2 H 2.884 0.04 2 1319 398 133 ASN HB3 H 2.736 0.04 2 1320 398 133 ASN HD21 H 7.649 0.04 2 1321 398 133 ASN HD22 H 6.900 0.04 2 1322 398 133 ASN CA C 52.700 0.4 1 1323 398 133 ASN CB C 39.330 0.4 1 1324 398 133 ASN N N 120.640 0.4 1 1325 398 133 ASN ND2 N 112.990 0.4 1 1326 399 134 ASP H H 8.035 0.04 1 1327 399 134 ASP HA H 4.420 0.04 1 1328 399 134 ASP HB2 H 2.684 0.04 2 1329 399 134 ASP HB3 H 2.654 0.04 2 1330 399 134 ASP CA C 55.690 0.4 1 1331 399 134 ASP CB C 41.870 0.4 1 1332 399 134 ASP N N 126.100 0.4 1 stop_ save_