data_17502 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR STRUCTURE OF THE C-TERMINAL RRM DOMAIN OF POLY(U) BINDING 1 ; _BMRB_accession_number 17502 _BMRB_flat_file_name bmr17502.str _Entry_type original _Submission_date 2011-03-01 _Accession_date 2011-03-01 _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 Santiveri C.M. M. . 2 Mirassou Y. . . 3 Rico-Lastres P. M. . 4 Martinez-Lumbreras S. M. . 5 Perez-Canadillas J.M. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 587 "13C chemical shifts" 451 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-01 original author . stop_ _Original_release_date 2012-03-01 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Pub1p C-terminal RRM domain interacts with Tif4631p through a conserved region neighbouring the Pab1p binding site' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21931728 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Santiveri Clara M. . 2 Mirassou Yasmina . . 3 Rico-Lastres Palma R. . 4 Martinez-Lumbreras Santiago M. . 5 Perez-Canadillas Jose M. . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 6 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e24481 _Page_last . _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NUCLEAR AND CYTOPLASMIC POLYADENYLATED RNA-BINDING PUB1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NUCLEAR AND CYTOPLASMIC POLYADENYLATED RNA-BINDING PUB1' $PUB1_RRM3 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_PUB1_RRM3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NUCLEAR_AND_CYTOPLASMIC_POLYADENYLATED_RNA-BINDING_PUB1 _Molecular_mass 11295.992 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSQTIGLPPQVNPQAVDHII RSAPPRVTTAYIGNIPHFAT EADLIPLFQNFGFILDFKHY PEKGCCFIKYDTHEQAAVCI VALANFPFQGRNLRTGWGKE R ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 314 GLY 2 315 SER 3 316 GLN 4 317 THR 5 318 ILE 6 319 GLY 7 320 LEU 8 321 PRO 9 322 PRO 10 323 GLN 11 324 VAL 12 325 ASN 13 326 PRO 14 327 GLN 15 328 ALA 16 329 VAL 17 330 ASP 18 331 HIS 19 332 ILE 20 333 ILE 21 334 ARG 22 335 SER 23 336 ALA 24 337 PRO 25 338 PRO 26 339 ARG 27 340 VAL 28 341 THR 29 342 THR 30 343 ALA 31 344 TYR 32 345 ILE 33 346 GLY 34 347 ASN 35 348 ILE 36 349 PRO 37 350 HIS 38 351 PHE 39 352 ALA 40 353 THR 41 354 GLU 42 355 ALA 43 356 ASP 44 357 LEU 45 358 ILE 46 359 PRO 47 360 LEU 48 361 PHE 49 362 GLN 50 363 ASN 51 364 PHE 52 365 GLY 53 366 PHE 54 367 ILE 55 368 LEU 56 369 ASP 57 370 PHE 58 371 LYS 59 372 HIS 60 373 TYR 61 374 PRO 62 375 GLU 63 376 LYS 64 377 GLY 65 378 CYS 66 379 CYS 67 380 PHE 68 381 ILE 69 382 LYS 70 383 TYR 71 384 ASP 72 385 THR 73 386 HIS 74 387 GLU 75 388 GLN 76 389 ALA 77 390 ALA 78 391 VAL 79 392 CYS 80 393 ILE 81 394 VAL 82 395 ALA 83 396 LEU 84 397 ALA 85 398 ASN 86 399 PHE 87 400 PRO 88 401 PHE 89 402 GLN 90 403 GLY 91 404 ARG 92 405 ASN 93 406 LEU 94 407 ARG 95 408 THR 96 409 GLY 97 410 TRP 98 411 GLY 99 412 LYS 100 413 GLU 101 414 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LA4 "Nmr Structure Of The C-Terminal Rrm Domain Of Poly(U) Binding 1" 100.00 101 100.00 100.00 1.98e-68 DBJ GAA26078 "K7_Pub1p [Saccharomyces cerevisiae Kyokai no. 7]" 99.01 453 100.00 100.00 1.61e-66 EMBL CAA95877 "PUB1 [Saccharomyces cerevisiae]" 99.01 453 100.00 100.00 1.54e-66 EMBL CAY82177 "Pub1p [Saccharomyces cerevisiae EC1118]" 99.01 453 100.00 100.00 1.89e-66 GB AAA02808 "RNA-binding protein [Saccharomyces cerevisiae]" 99.01 429 100.00 100.00 4.00e-67 GB AAC37348 "RNA-binding protein [Saccharomyces cerevisiae]" 99.01 453 100.00 100.00 1.89e-66 GB AAC37364 "poly(A)-binding protein [Saccharomyces cerevisiae]" 99.01 453 100.00 100.00 1.89e-66 GB AHY77075 "Pub1p [Saccharomyces cerevisiae YJM993]" 99.01 453 100.00 100.00 1.89e-66 GB AJP41312 "Pub1p [Saccharomyces cerevisiae YJM1078]" 99.01 453 100.00 100.00 1.89e-66 REF NP_014382 "Pub1p [Saccharomyces cerevisiae S288c]" 99.01 453 100.00 100.00 1.54e-66 SP P32588 "RecName: Full=Nuclear and cytoplasmic polyadenylated RNA-binding protein PUB1; AltName: Full=ARS consensus-binding protein ACBP" 99.01 453 100.00 100.00 1.54e-66 TPG DAA10528 "TPA: Pub1p [Saccharomyces cerevisiae S288c]" 99.01 453 100.00 100.00 1.54e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $PUB1_RRM3 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae PUB1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $PUB1_RRM3 'recombinant technology' . ESCHERICHIA COLI . VECTOR 'MODIFIED PET28' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.3MM [U-100% 15N] PUB1P RRM3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PUB1_RRM3 0.3 mM '[U-99% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 0.5 mM 'natural abundance' DSS 0.01 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.01MM DSS' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PUB1_RRM3 0.3 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 0.5 mM 'natural abundance' DSS 0.01 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PUB1_RRM3 0.3 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 0.5 mM 'natural abundance' DSS 0.1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PUB1_RRM3 0.3 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 0.5 mM 'natural abundance' DSS 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'CORNILESCU, DELAGLIO' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR_ANALYSIS _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPIPE _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_MOLMOL _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY 2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_4 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_4 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_4 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_4 save_ save_3D_CBCANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_4 save_ save_3D_HC_-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC -TOCSY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '3D HNCO' '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_2 $sample_4 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NUCLEAR AND CYTOPLASMIC POLYADENYLATED RNA-BINDING PUB1' _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 1 314 1 GLY HA2 H 3.895 0.000 2 2 314 1 GLY C C 170.656 0.000 1 3 314 1 GLY CA C 43.406 0.045 1 4 315 2 SER HA H 4.507 0.004 1 5 315 2 SER HB2 H 3.882 0.004 2 6 315 2 SER C C 174.518 0.000 1 7 315 2 SER CA C 58.498 0.049 1 8 315 2 SER CB C 63.741 0.000 1 9 316 3 GLN HA H 4.456 0.003 1 10 316 3 GLN HB2 H 2.147 0.001 2 11 316 3 GLN HB3 H 2.020 0.004 2 12 316 3 GLN HG2 H 2.392 0.002 2 13 316 3 GLN HE21 H 7.587 0.002 1 14 316 3 GLN HE22 H 6.895 0.002 1 15 316 3 GLN CA C 55.734 0.000 1 16 316 3 GLN CB C 29.429 0.020 1 17 316 3 GLN CG C 33.795 0.039 1 18 316 3 GLN CD C 180.578 0.000 1 19 316 3 GLN NE2 N 112.485 0.001 1 20 317 4 THR H H 8.357 0.002 1 21 317 4 THR HA H 4.348 0.001 1 22 317 4 THR HB H 4.174 0.003 1 23 317 4 THR HG2 H 1.207 0.001 1 24 317 4 THR C C 174.399 0.000 1 25 317 4 THR CA C 62.047 0.053 1 26 317 4 THR CB C 69.644 0.000 1 27 317 4 THR CG2 C 21.619 0.000 1 28 317 4 THR N N 116.720 0.000 1 29 318 5 ILE H H 8.281 0.001 1 30 318 5 ILE HA H 4.222 0.003 1 31 318 5 ILE HB H 1.900 0.002 1 32 318 5 ILE HG12 H 1.526 0.001 2 33 318 5 ILE HG13 H 1.208 0.003 2 34 318 5 ILE HG2 H 0.970 0.002 1 35 318 5 ILE HD1 H 0.865 0.003 1 36 318 5 ILE C C 176.311 0.000 1 37 318 5 ILE CA C 61.155 0.019 1 38 318 5 ILE CB C 38.828 0.000 1 39 318 5 ILE CG1 C 27.317 0.013 1 40 318 5 ILE CG2 C 17.479 0.000 1 41 318 5 ILE CD1 C 12.974 0.000 1 42 318 5 ILE N N 124.127 0.000 1 43 319 6 GLY H H 8.510 0.003 1 44 319 6 GLY HA2 H 4.029 0.003 2 45 319 6 GLY HA3 H 3.927 0.002 2 46 319 6 GLY C C 173.456 0.000 1 47 319 6 GLY CA C 44.921 0.003 1 48 319 6 GLY N N 113.001 0.000 1 49 320 7 LEU H H 8.153 0.002 1 50 320 7 LEU HA H 4.673 0.002 1 51 320 7 LEU HB2 H 1.624 0.001 2 52 320 7 LEU HB3 H 1.510 0.002 2 53 320 7 LEU HG H 1.686 0.001 1 54 320 7 LEU HD1 H 0.918 0.001 2 55 320 7 LEU HD2 H 0.887 0.001 2 56 320 7 LEU C C 175.067 0.000 1 57 320 7 LEU CA C 52.742 0.033 1 58 320 7 LEU CB C 41.957 0.002 1 59 320 7 LEU CG C 27.012 0.000 1 60 320 7 LEU CD1 C 25.314 0.000 2 61 320 7 LEU CD2 C 23.623 0.000 2 62 320 7 LEU N N 122.312 0.000 1 63 321 8 PRO HA H 4.718 0.002 1 64 321 8 PRO HB2 H 2.303 0.004 2 65 321 8 PRO HB3 H 1.930 0.002 2 66 321 8 PRO HG2 H 2.013 0.003 2 67 321 8 PRO HG3 H 1.909 0.002 2 68 321 8 PRO HD2 H 3.864 0.002 2 69 321 8 PRO HD3 H 3.534 0.002 2 70 321 8 PRO C C 174.606 0.000 1 71 321 8 PRO CA C 61.475 0.008 1 72 321 8 PRO CB C 30.816 0.013 1 73 321 8 PRO CG C 27.694 0.001 1 74 321 8 PRO CD C 50.295 0.005 1 75 322 9 PRO HA H 4.465 0.002 1 76 322 9 PRO HB2 H 2.369 0.003 2 77 322 9 PRO HB3 H 1.990 0.002 2 78 322 9 PRO HG2 H 2.090 0.001 2 79 322 9 PRO HD2 H 3.856 0.001 2 80 322 9 PRO HD3 H 3.726 0.001 2 81 322 9 PRO C C 176.617 0.000 1 82 322 9 PRO CA C 63.286 0.026 1 83 322 9 PRO CB C 32.090 0.019 1 84 322 9 PRO CG C 27.527 0.000 1 85 322 9 PRO CD C 50.496 0.003 1 86 323 10 GLN H H 8.477 0.001 1 87 323 10 GLN HA H 4.349 0.002 1 88 323 10 GLN HB2 H 2.121 0.000 2 89 323 10 GLN HB3 H 2.085 0.005 2 90 323 10 GLN HG2 H 2.471 0.003 2 91 323 10 GLN HG3 H 2.406 0.003 2 92 323 10 GLN HE21 H 7.708 0.002 1 93 323 10 GLN HE22 H 7.020 0.001 1 94 323 10 GLN CA C 55.818 0.000 1 95 323 10 GLN CB C 28.988 0.007 1 96 323 10 GLN CG C 33.755 0.015 1 97 323 10 GLN CD C 180.854 0.000 1 98 323 10 GLN N N 118.356 0.000 1 99 323 10 GLN NE2 N 112.845 0.001 1 100 324 11 VAL H H 8.093 0.001 1 101 324 11 VAL HA H 4.183 0.003 1 102 324 11 VAL HB H 2.014 0.001 1 103 324 11 VAL HG1 H 0.879 0.001 2 104 324 11 VAL HG2 H 0.919 0.004 2 105 324 11 VAL C C 174.896 0.000 1 106 324 11 VAL CA C 61.195 0.057 1 107 324 11 VAL CB C 33.061 0.000 1 108 324 11 VAL CG1 C 22.083 0.000 2 109 324 11 VAL CG2 C 20.483 0.000 2 110 324 11 VAL N N 119.600 0.000 1 111 325 12 ASN H H 8.481 0.002 1 112 325 12 ASN HA H 4.996 0.002 1 113 325 12 ASN HB2 H 2.912 0.002 2 114 325 12 ASN HD21 H 7.917 0.001 1 115 325 12 ASN HD22 H 7.215 0.001 1 116 325 12 ASN C C 174.427 0.000 1 117 325 12 ASN CA C 51.033 0.046 1 118 325 12 ASN CB C 39.252 0.061 1 119 325 12 ASN CG C 176.906 0.000 1 120 325 12 ASN N N 124.891 0.000 1 121 325 12 ASN ND2 N 113.931 0.001 1 122 326 13 PRO HA H 4.229 0.001 1 123 326 13 PRO HB2 H 2.413 0.003 2 124 326 13 PRO HB3 H 2.050 0.003 2 125 326 13 PRO HG2 H 2.171 0.003 2 126 326 13 PRO HG3 H 2.104 0.005 2 127 326 13 PRO HD2 H 4.129 0.001 2 128 326 13 PRO HD3 H 3.928 0.001 2 129 326 13 PRO C C 178.920 0.000 1 130 326 13 PRO CA C 65.175 0.003 1 131 326 13 PRO CB C 32.167 0.012 1 132 326 13 PRO CG C 27.679 0.009 1 133 326 13 PRO CD C 51.267 0.008 1 134 327 14 GLN H H 8.180 0.001 1 135 327 14 GLN HA H 4.206 0.002 1 136 327 14 GLN HB2 H 2.178 0.002 2 137 327 14 GLN HB3 H 2.104 0.004 2 138 327 14 GLN HG2 H 2.470 0.003 2 139 327 14 GLN HE21 H 7.633 0.001 1 140 327 14 GLN HE22 H 6.954 0.002 1 141 327 14 GLN C C 178.401 0.000 1 142 327 14 GLN CA C 58.858 0.058 1 143 327 14 GLN CB C 28.212 0.024 1 144 327 14 GLN CG C 34.631 0.048 1 145 327 14 GLN CD C 180.588 0.000 1 146 327 14 GLN N N 117.966 0.000 1 147 327 14 GLN NE2 N 112.600 0.001 1 148 328 15 ALA H H 7.762 0.001 1 149 328 15 ALA HA H 4.286 0.002 1 150 328 15 ALA HB H 1.594 0.001 1 151 328 15 ALA C C 180.177 0.000 1 152 328 15 ALA CA C 54.502 0.071 1 153 328 15 ALA CB C 18.691 0.000 1 154 328 15 ALA N N 123.377 0.000 1 155 329 16 VAL H H 7.713 0.001 1 156 329 16 VAL HA H 3.582 0.001 1 157 329 16 VAL HB H 2.155 0.001 1 158 329 16 VAL HG1 H 0.962 0.002 2 159 329 16 VAL HG2 H 0.931 0.002 2 160 329 16 VAL C C 177.281 0.000 1 161 329 16 VAL CA C 66.285 0.007 1 162 329 16 VAL CB C 31.729 0.000 1 163 329 16 VAL CG1 C 23.362 0.000 2 164 329 16 VAL CG2 C 21.601 0.000 2 165 329 16 VAL N N 117.692 0.000 1 166 330 17 ASP H H 8.058 0.001 1 167 330 17 ASP HA H 4.428 0.003 1 168 330 17 ASP HB2 H 2.793 0.002 2 169 330 17 ASP HB3 H 2.724 0.001 2 170 330 17 ASP C C 177.600 0.000 1 171 330 17 ASP CA C 57.937 0.005 1 172 330 17 ASP CB C 41.489 0.004 1 173 330 17 ASP CG C 179.279 0.000 1 174 330 17 ASP N N 120.270 0.000 1 175 331 18 HIS H H 7.782 0.001 1 176 331 18 HIS HA H 4.376 0.001 1 177 331 18 HIS HB2 H 3.291 0.003 2 178 331 18 HIS HD2 H 7.053 0.002 1 179 331 18 HIS CA C 59.347 0.000 1 180 331 18 HIS CB C 30.288 0.000 1 181 331 18 HIS CD2 C 119.788 0.000 1 182 331 18 HIS N N 116.537 0.000 1 183 332 19 ILE H H 7.889 0.001 1 184 332 19 ILE HA H 4.192 0.001 1 185 332 19 ILE HB H 2.179 0.002 1 186 332 19 ILE HG12 H 1.729 0.001 2 187 332 19 ILE HG13 H 1.283 0.001 2 188 332 19 ILE HG2 H 0.851 0.002 1 189 332 19 ILE HD1 H 0.768 0.001 1 190 332 19 ILE CA C 61.132 0.000 1 191 332 19 ILE CB C 36.207 0.000 1 192 332 19 ILE CG1 C 27.551 0.037 1 193 332 19 ILE CG2 C 18.206 0.000 1 194 332 19 ILE CD1 C 9.008 0.000 1 195 332 19 ILE N N 120.199 0.000 1 196 333 20 ILE H H 9.335 0.002 1 197 333 20 ILE HA H 3.807 0.001 1 198 333 20 ILE HB H 2.362 0.002 1 199 333 20 ILE HG12 H 1.886 0.002 2 200 333 20 ILE HG13 H 1.078 0.002 2 201 333 20 ILE HG2 H 1.159 0.001 1 202 333 20 ILE HD1 H 1.037 0.002 1 203 333 20 ILE C C 178.652 0.000 1 204 333 20 ILE CA C 66.020 0.042 1 205 333 20 ILE CB C 37.704 0.000 1 206 333 20 ILE CG1 C 31.465 0.010 1 207 333 20 ILE CG2 C 17.449 0.000 1 208 333 20 ILE CD1 C 14.345 0.000 1 209 333 20 ILE N N 123.939 0.000 1 210 334 21 ARG H H 7.749 0.002 1 211 334 21 ARG HA H 4.527 0.001 1 212 334 21 ARG HB2 H 2.071 0.001 2 213 334 21 ARG HB3 H 1.862 0.001 2 214 334 21 ARG HG2 H 1.765 0.002 2 215 334 21 ARG HD2 H 3.279 0.002 2 216 334 21 ARG HD3 H 3.179 0.001 2 217 334 21 ARG C C 176.904 0.000 1 218 334 21 ARG CA C 57.167 0.037 1 219 334 21 ARG CB C 30.531 0.000 1 220 334 21 ARG CG C 28.600 0.000 1 221 334 21 ARG CD C 43.292 0.002 1 222 334 21 ARG N N 116.547 0.000 1 223 335 22 SER H H 7.952 0.001 1 224 335 22 SER HA H 4.500 0.002 1 225 335 22 SER HB2 H 4.105 0.002 2 226 335 22 SER HB3 H 4.285 0.002 2 227 335 22 SER C C 172.220 0.000 1 228 335 22 SER CA C 59.428 0.043 1 229 335 22 SER CB C 63.803 0.015 1 230 335 22 SER N N 114.538 0.000 1 231 336 23 ALA H H 7.355 0.002 1 232 336 23 ALA HA H 4.398 0.005 1 233 336 23 ALA HB H -0.013 0.001 1 234 336 23 ALA C C 173.321 0.000 1 235 336 23 ALA CA C 49.814 0.005 1 236 336 23 ALA CB C 16.937 0.000 1 237 336 23 ALA N N 122.734 0.000 1 238 337 24 PRO HA H 4.527 0.001 1 239 337 24 PRO HB2 H 2.418 0.002 2 240 337 24 PRO HB3 H 1.776 0.003 2 241 337 24 PRO HG2 H 1.969 0.002 2 242 337 24 PRO HD2 H 3.652 0.004 2 243 337 24 PRO HD3 H 3.304 0.002 2 244 337 24 PRO C C 174.970 0.000 1 245 337 24 PRO CA C 61.341 0.011 1 246 337 24 PRO CB C 31.511 0.021 1 247 337 24 PRO CG C 27.491 0.000 1 248 337 24 PRO CD C 50.319 0.034 1 249 338 25 PRO HA H 2.671 0.002 1 250 338 25 PRO HB2 H 2.126 0.002 2 251 338 25 PRO HB3 H 1.771 0.002 2 252 338 25 PRO HG2 H 1.975 0.002 2 253 338 25 PRO HG3 H 1.878 0.001 2 254 338 25 PRO HD2 H 3.754 0.001 2 255 338 25 PRO HD3 H 3.637 0.001 2 256 338 25 PRO CA C 64.510 0.000 1 257 338 25 PRO CB C 31.902 0.000 1 258 338 25 PRO CG C 27.370 0.003 1 259 338 25 PRO CD C 50.440 0.010 1 260 339 26 ARG H H 7.648 0.004 1 261 339 26 ARG HA H 4.157 0.003 1 262 339 26 ARG HB2 H 1.801 0.000 2 263 339 26 ARG HB3 H 1.865 0.004 2 264 339 26 ARG HG2 H 1.509 0.005 2 265 339 26 ARG HG3 H 1.474 0.000 2 266 339 26 ARG HD2 H 3.173 0.001 2 267 339 26 ARG CA C 56.729 0.000 1 268 339 26 ARG CB C 29.344 0.001 1 269 339 26 ARG CG C 27.190 0.004 1 270 339 26 ARG CD C 43.055 0.000 1 271 339 26 ARG N N 111.837 0.000 1 272 340 27 VAL H H 7.862 0.001 1 273 340 27 VAL HA H 4.110 0.002 1 274 340 27 VAL HB H 1.857 0.001 1 275 340 27 VAL HG1 H 1.258 0.001 2 276 340 27 VAL HG2 H 0.968 0.002 2 277 340 27 VAL C C 177.000 0.000 1 278 340 27 VAL CA C 63.420 0.037 1 279 340 27 VAL CB C 31.572 0.000 1 280 340 27 VAL CG1 C 22.768 0.000 2 281 340 27 VAL CG2 C 22.167 0.000 2 282 340 27 VAL N N 120.454 0.000 1 283 341 28 THR H H 9.478 0.002 1 284 341 28 THR HA H 4.961 0.001 1 285 341 28 THR HB H 4.543 0.001 1 286 341 28 THR HG2 H 1.080 0.003 1 287 341 28 THR CA C 60.821 0.000 1 288 341 28 THR CB C 68.634 0.000 1 289 341 28 THR CG2 C 21.245 0.000 1 290 341 28 THR N N 119.657 0.000 1 291 342 29 THR H H 7.176 0.002 1 292 342 29 THR HA H 5.688 0.001 1 293 342 29 THR HB H 4.041 0.003 1 294 342 29 THR HG2 H 1.270 0.001 1 295 342 29 THR C C 173.377 0.000 1 296 342 29 THR CA C 61.936 0.030 1 297 342 29 THR CB C 70.136 0.000 1 298 342 29 THR CG2 C 22.779 0.000 1 299 342 29 THR N N 119.787 0.000 1 300 343 30 ALA H H 9.536 0.001 1 301 343 30 ALA HA H 4.709 0.001 1 302 343 30 ALA HB H 1.305 0.003 1 303 343 30 ALA C C 174.549 0.000 1 304 343 30 ALA CA C 50.703 0.020 1 305 343 30 ALA CB C 21.492 0.000 1 306 343 30 ALA N N 130.411 0.000 1 307 344 31 TYR H H 8.937 0.001 1 308 344 31 TYR HA H 4.773 0.001 1 309 344 31 TYR HB2 H 2.535 0.001 2 310 344 31 TYR HB3 H 2.336 0.001 2 311 344 31 TYR HD1 H 6.369 0.001 3 312 344 31 TYR HD2 H 6.369 0.001 3 313 344 31 TYR HE1 H 6.524 0.001 3 314 344 31 TYR HE2 H 6.524 0.001 3 315 344 31 TYR C C 172.499 0.000 1 316 344 31 TYR CA C 56.091 0.057 1 317 344 31 TYR CB C 40.140 0.012 1 318 344 31 TYR CD1 C 133.371 0.000 3 319 344 31 TYR CD2 C 133.371 0.000 3 320 344 31 TYR CE1 C 117.271 0.000 3 321 344 31 TYR CE2 C 117.271 0.000 3 322 344 31 TYR N N 123.108 0.000 1 323 345 32 ILE H H 7.706 0.002 1 324 345 32 ILE HA H 4.499 0.004 1 325 345 32 ILE HB H 1.757 0.001 1 326 345 32 ILE HG12 H 0.955 0.001 2 327 345 32 ILE HG2 H 0.835 0.001 1 328 345 32 ILE HD1 H 0.413 0.001 1 329 345 32 ILE C C 174.188 0.000 1 330 345 32 ILE CA C 58.365 0.013 1 331 345 32 ILE CB C 38.441 0.000 1 332 345 32 ILE CG1 C 27.612 0.000 1 333 345 32 ILE CG2 C 19.935 0.000 1 334 345 32 ILE CD1 C 12.849 0.000 1 335 345 32 ILE N N 126.453 0.000 1 336 346 33 GLY H H 9.118 0.001 1 337 346 33 GLY HA2 H 5.095 0.004 2 338 346 33 GLY HA3 H 3.572 0.005 2 339 346 33 GLY C C 173.632 0.000 1 340 346 33 GLY CA C 42.929 0.003 1 341 346 33 GLY N N 112.224 0.000 1 342 347 34 ASN H H 8.699 0.001 1 343 347 34 ASN HA H 4.410 0.003 1 344 347 34 ASN HB2 H 2.501 0.004 2 345 347 34 ASN HB3 H 3.739 0.002 2 346 347 34 ASN HD21 H 8.181 0.003 1 347 347 34 ASN HD22 H 7.004 0.003 1 348 347 34 ASN C C 173.974 0.000 1 349 347 34 ASN CA C 53.666 0.048 1 350 347 34 ASN CB C 39.301 0.014 1 351 347 34 ASN CG C 179.096 0.000 1 352 347 34 ASN N N 115.579 0.000 1 353 347 34 ASN ND2 N 111.781 0.003 1 354 348 35 ILE H H 8.328 0.001 1 355 348 35 ILE HA H 3.879 0.003 1 356 348 35 ILE HB H 1.279 0.002 1 357 348 35 ILE HG12 H 1.467 0.003 2 358 348 35 ILE HG13 H 0.601 0.002 2 359 348 35 ILE HG2 H 0.967 0.002 1 360 348 35 ILE HD1 H 0.629 0.002 1 361 348 35 ILE C C 175.779 0.000 1 362 348 35 ILE CA C 59.022 0.001 1 363 348 35 ILE CB C 39.898 0.000 1 364 348 35 ILE CG1 C 28.754 0.018 1 365 348 35 ILE CG2 C 18.311 0.000 1 366 348 35 ILE CD1 C 14.901 0.000 1 367 348 35 ILE N N 116.649 0.000 1 368 349 36 PRO HA H 4.224 0.002 1 369 349 36 PRO HB2 H 1.089 0.004 2 370 349 36 PRO HB3 H 1.953 0.003 2 371 349 36 PRO HG2 H 2.123 0.002 2 372 349 36 PRO HG3 H 1.914 0.003 2 373 349 36 PRO HD2 H 3.568 0.002 2 374 349 36 PRO HD3 H 3.966 0.002 2 375 349 36 PRO C C 178.716 0.000 1 376 349 36 PRO CA C 63.318 0.028 1 377 349 36 PRO CB C 32.045 0.015 1 378 349 36 PRO CG C 28.100 0.008 1 379 349 36 PRO CD C 50.681 0.009 1 380 350 37 HIS HA H 4.436 0.001 1 381 350 37 HIS HB2 H 3.107 0.001 2 382 350 37 HIS HD2 H 7.055 0.002 1 383 350 37 HIS C C 174.824 0.000 1 384 350 37 HIS CA C 58.458 0.000 1 385 350 37 HIS CB C 29.689 0.000 1 386 350 37 HIS CD2 C 119.419 0.000 1 387 351 38 PHE H H 6.645 0.011 1 388 351 38 PHE HA H 4.686 0.002 1 389 351 38 PHE HB2 H 3.381 0.001 2 390 351 38 PHE HB3 H 2.939 0.008 2 391 351 38 PHE HD1 H 7.104 0.001 3 392 351 38 PHE HD2 H 7.104 0.001 3 393 351 38 PHE HE1 H 7.472 0.002 3 394 351 38 PHE HE2 H 7.472 0.002 3 395 351 38 PHE CA C 55.375 0.000 1 396 351 38 PHE CB C 38.068 0.022 1 397 351 38 PHE CD1 C 131.421 0.000 3 398 351 38 PHE CD2 C 131.421 0.000 3 399 351 38 PHE CE1 C 130.815 0.000 3 400 351 38 PHE CE2 C 130.815 0.000 3 401 351 38 PHE N N 111.585 0.000 1 402 352 39 ALA H H 7.239 0.001 1 403 352 39 ALA HA H 4.645 0.002 1 404 352 39 ALA HB H 1.425 0.002 1 405 352 39 ALA C C 177.420 0.000 1 406 352 39 ALA CA C 52.763 0.056 1 407 352 39 ALA CB C 19.303 0.000 1 408 352 39 ALA N N 125.001 0.000 1 409 353 40 THR H H 9.132 0.003 1 410 353 40 THR HA H 4.946 0.004 1 411 353 40 THR HB H 4.704 0.004 1 412 353 40 THR HG2 H 1.415 0.003 1 413 353 40 THR C C 176.091 0.000 1 414 353 40 THR CA C 59.653 0.052 1 415 353 40 THR CB C 72.489 0.000 1 416 353 40 THR CG2 C 21.629 0.000 1 417 353 40 THR N N 112.747 0.000 1 418 354 41 GLU H H 9.306 0.005 1 419 354 41 GLU HA H 3.780 0.001 1 420 354 41 GLU HB2 H 2.251 0.004 2 421 354 41 GLU HB3 H 2.157 0.005 2 422 354 41 GLU HG2 H 2.348 0.006 2 423 354 41 GLU HG3 H 2.231 0.001 2 424 354 41 GLU C C 177.307 0.000 1 425 354 41 GLU CA C 60.797 0.035 1 426 354 41 GLU CB C 29.419 0.006 1 427 354 41 GLU CG C 36.831 0.016 1 428 354 41 GLU CD C 182.890 0.000 1 429 354 41 GLU N N 121.596 0.000 1 430 355 42 ALA H H 8.015 0.004 1 431 355 42 ALA HA H 4.056 0.002 1 432 355 42 ALA HB H 1.384 0.003 1 433 355 42 ALA C C 179.150 0.000 1 434 355 42 ALA CA C 54.381 0.036 1 435 355 42 ALA CB C 18.401 0.000 1 436 355 42 ALA N N 119.289 0.000 1 437 356 43 ASP H H 7.444 0.002 1 438 356 43 ASP HA H 4.598 0.004 1 439 356 43 ASP HB2 H 3.000 0.005 2 440 356 43 ASP HB3 H 2.826 0.002 2 441 356 43 ASP C C 177.121 0.000 1 442 356 43 ASP CA C 55.749 0.031 1 443 356 43 ASP CB C 42.443 0.021 1 444 356 43 ASP CG C 179.149 0.000 1 445 356 43 ASP N N 114.233 0.000 1 446 357 44 LEU H H 7.576 0.002 1 447 357 44 LEU HA H 3.744 0.003 1 448 357 44 LEU HB2 H 1.467 0.002 2 449 357 44 LEU HB3 H 1.293 0.002 2 450 357 44 LEU HG H 1.563 0.004 1 451 357 44 LEU HD1 H 0.317 0.002 2 452 357 44 LEU HD2 H 0.265 0.001 2 453 357 44 LEU C C 176.450 0.000 1 454 357 44 LEU CA C 56.331 0.003 1 455 357 44 LEU CB C 43.491 0.000 1 456 357 44 LEU CG C 26.367 0.000 1 457 357 44 LEU CD1 C 22.449 0.000 2 458 357 44 LEU CD2 C 24.973 0.000 2 459 357 44 LEU N N 118.620 0.000 1 460 358 45 ILE H H 8.123 0.001 1 461 358 45 ILE HA H 3.449 0.001 1 462 358 45 ILE HB H 1.863 0.001 1 463 358 45 ILE HG12 H 1.120 0.001 2 464 358 45 ILE HG13 H 0.563 0.005 2 465 358 45 ILE HG2 H 0.644 0.001 1 466 358 45 ILE HD1 H 0.247 0.003 1 467 358 45 ILE C C 174.651 0.000 1 468 358 45 ILE CA C 66.148 0.023 1 469 358 45 ILE CB C 34.583 0.000 1 470 358 45 ILE CG1 C 29.185 0.019 1 471 358 45 ILE CG2 C 16.882 0.000 1 472 358 45 ILE CD1 C 10.568 0.000 1 473 358 45 ILE N N 118.299 0.000 1 474 359 46 PRO HA H 4.202 0.001 1 475 359 46 PRO HB2 H 2.254 0.003 2 476 359 46 PRO HB3 H 1.644 0.002 2 477 359 46 PRO HG2 H 2.076 0.002 2 478 359 46 PRO HG3 H 1.849 0.003 2 479 359 46 PRO HD2 H 3.459 0.001 2 480 359 46 PRO HD3 H 3.179 0.002 2 481 359 46 PRO C C 178.873 0.000 1 482 359 46 PRO CA C 65.589 0.008 1 483 359 46 PRO CB C 30.900 0.011 1 484 359 46 PRO CG C 28.566 0.018 1 485 359 46 PRO CD C 50.368 0.003 1 486 360 47 LEU H H 6.582 0.002 1 487 360 47 LEU HA H 3.867 0.005 1 488 360 47 LEU HB2 H 1.397 0.002 2 489 360 47 LEU HB3 H 1.211 0.002 2 490 360 47 LEU HG H 1.173 0.002 1 491 360 47 LEU HD1 H 0.667 0.002 2 492 360 47 LEU HD2 H 0.368 0.001 2 493 360 47 LEU C C 178.780 0.000 1 494 360 47 LEU CA C 57.037 0.016 1 495 360 47 LEU CB C 41.336 0.012 1 496 360 47 LEU CG C 26.902 0.000 1 497 360 47 LEU CD1 C 22.989 0.000 2 498 360 47 LEU CD2 C 24.802 0.000 2 499 360 47 LEU N N 115.685 0.000 1 500 361 48 PHE H H 7.374 0.001 1 501 361 48 PHE HA H 4.790 0.005 1 502 361 48 PHE HB2 H 3.512 0.002 2 503 361 48 PHE HB3 H 2.799 0.002 2 504 361 48 PHE HD1 H 6.873 0.002 3 505 361 48 PHE HD2 H 6.873 0.002 3 506 361 48 PHE HE1 H 7.054 0.001 3 507 361 48 PHE HE2 H 7.054 0.001 3 508 361 48 PHE HZ H 6.649 0.001 1 509 361 48 PHE CA C 57.849 0.000 1 510 361 48 PHE CB C 38.205 0.007 1 511 361 48 PHE CD1 C 130.664 0.000 3 512 361 48 PHE CD2 C 130.664 0.000 3 513 361 48 PHE CE1 C 131.408 0.000 3 514 361 48 PHE CE2 C 131.408 0.000 3 515 361 48 PHE CZ C 128.669 0.000 1 516 361 48 PHE N N 115.852 0.000 1 517 362 49 GLN H H 8.753 0.002 1 518 362 49 GLN HA H 4.410 0.004 1 519 362 49 GLN HB2 H 2.170 0.003 2 520 362 49 GLN HB3 H 2.075 0.002 2 521 362 49 GLN HG2 H 2.559 0.002 2 522 362 49 GLN HG3 H 2.459 0.001 2 523 362 49 GLN HE21 H 7.389 0.001 1 524 362 49 GLN HE22 H 6.717 0.001 1 525 362 49 GLN C C 175.952 0.000 1 526 362 49 GLN CA C 57.904 0.009 1 527 362 49 GLN CG C 34.383 0.039 1 528 362 49 GLN CD C 179.820 0.000 1 529 362 49 GLN N N 121.471 0.000 1 530 362 49 GLN NE2 N 111.169 0.001 1 531 363 50 ASN H H 7.109 0.003 1 532 363 50 ASN HA H 4.241 0.003 1 533 363 50 ASN HB2 H 1.879 0.004 2 534 363 50 ASN HB3 H 1.716 0.005 2 535 363 50 ASN HD21 H 7.259 0.001 1 536 363 50 ASN HD22 H 7.066 0.001 1 537 363 50 ASN CA C 55.408 0.000 1 538 363 50 ASN CB C 38.780 0.018 1 539 363 50 ASN CG C 175.852 0.000 1 540 363 50 ASN N N 113.968 0.000 1 541 363 50 ASN ND2 N 115.316 0.001 1 542 364 51 PHE H H 6.798 0.002 1 543 364 51 PHE HA H 4.542 0.004 1 544 364 51 PHE HB2 H 3.286 0.002 2 545 364 51 PHE HB3 H 2.496 0.005 2 546 364 51 PHE HD1 H 7.258 0.001 3 547 364 51 PHE HD2 H 7.258 0.001 3 548 364 51 PHE HE1 H 7.141 0.001 3 549 364 51 PHE HE2 H 7.141 0.001 3 550 364 51 PHE C C 173.880 0.000 1 551 364 51 PHE CA C 57.561 0.062 1 552 364 51 PHE CB C 39.272 0.017 1 553 364 51 PHE CD1 C 131.486 0.000 3 554 364 51 PHE CD2 C 131.486 0.000 3 555 364 51 PHE CE1 C 131.299 0.000 3 556 364 51 PHE CE2 C 131.299 0.000 3 557 364 51 PHE N N 113.340 0.000 1 558 365 52 GLY H H 7.174 0.003 1 559 365 52 GLY HA2 H 4.087 0.002 2 560 365 52 GLY HA3 H 3.951 0.002 2 561 365 52 GLY C C 170.304 0.000 1 562 365 52 GLY CA C 44.984 0.026 1 563 365 52 GLY N N 102.711 0.000 1 564 366 53 PHE H H 7.625 0.005 1 565 366 53 PHE HA H 4.835 0.005 1 566 366 53 PHE HB2 H 3.258 0.002 2 567 366 53 PHE HB3 H 3.206 0.001 2 568 366 53 PHE HD1 H 7.265 0.001 3 569 366 53 PHE HD2 H 7.265 0.001 3 570 366 53 PHE HE1 H 7.381 0.001 3 571 366 53 PHE HE2 H 7.381 0.001 3 572 366 53 PHE HZ H 7.329 0.001 1 573 366 53 PHE C C 174.399 0.000 1 574 366 53 PHE CA C 56.648 0.005 1 575 366 53 PHE CB C 40.267 0.006 1 576 366 53 PHE CD1 C 132.402 0.000 3 577 366 53 PHE CD2 C 132.402 0.000 3 578 366 53 PHE CE1 C 131.434 0.000 3 579 366 53 PHE CE2 C 131.434 0.000 3 580 366 53 PHE CZ C 129.924 0.000 1 581 366 53 PHE N N 119.410 0.000 1 582 367 54 ILE H H 8.322 0.001 1 583 367 54 ILE HA H 3.627 0.002 1 584 367 54 ILE HB H 1.559 0.005 1 585 367 54 ILE HG12 H 1.643 0.004 2 586 367 54 ILE HG13 H 0.257 0.004 2 587 367 54 ILE HG2 H 0.581 0.001 1 588 367 54 ILE HD1 H 0.710 0.001 1 589 367 54 ILE C C 175.477 0.000 1 590 367 54 ILE CA C 62.468 0.041 1 591 367 54 ILE CB C 38.612 0.000 1 592 367 54 ILE CG1 C 27.741 0.021 1 593 367 54 ILE CG2 C 17.124 0.000 1 594 367 54 ILE CD1 C 14.408 0.000 1 595 367 54 ILE N N 127.405 0.000 1 596 368 55 LEU H H 9.149 0.002 1 597 368 55 LEU HA H 4.303 0.002 1 598 368 55 LEU HB2 H 1.509 0.004 2 599 368 55 LEU HB3 H 1.382 0.002 2 600 368 55 LEU HG H 1.547 0.003 1 601 368 55 LEU HD1 H 1.031 0.001 2 602 368 55 LEU HD2 H 0.868 0.002 2 603 368 55 LEU C C 177.464 0.000 1 604 368 55 LEU CA C 55.577 0.013 1 605 368 55 LEU CB C 43.266 0.006 1 606 368 55 LEU CG C 27.590 0.000 1 607 368 55 LEU CD1 C 26.223 0.000 2 608 368 55 LEU CD2 C 22.854 0.000 2 609 368 55 LEU N N 128.174 0.000 1 610 369 56 ASP H H 7.641 0.002 1 611 369 56 ASP HA H 4.782 0.002 1 612 369 56 ASP HB2 H 2.647 0.002 2 613 369 56 ASP HB3 H 2.514 0.003 2 614 369 56 ASP CA C 54.461 0.000 1 615 369 56 ASP CB C 44.868 0.030 1 616 369 56 ASP CG C 179.652 0.000 1 617 369 56 ASP N N 116.574 0.000 1 618 370 57 PHE H H 8.481 0.001 1 619 370 57 PHE HA H 5.019 0.001 1 620 370 57 PHE HB2 H 2.970 0.004 2 621 370 57 PHE HB3 H 2.799 0.002 2 622 370 57 PHE HD1 H 7.252 0.002 1 623 370 57 PHE HD2 H 7.098 0.001 1 624 370 57 PHE HE1 H 6.911 0.001 1 625 370 57 PHE HE2 H 6.890 0.000 1 626 370 57 PHE HZ H 7.387 0.002 1 627 370 57 PHE C C 173.193 0.000 1 628 370 57 PHE CA C 56.784 0.026 1 629 370 57 PHE CB C 42.236 0.004 1 630 370 57 PHE CD1 C 131.948 0.000 1 631 370 57 PHE CD2 C 131.962 0.000 1 632 370 57 PHE CE1 C 128.504 0.000 1 633 370 57 PHE CE2 C 129.087 0.000 1 634 370 57 PHE CZ C 131.442 0.000 1 635 370 57 PHE N N 126.099 0.000 1 636 371 58 LYS H H 7.963 0.002 1 637 371 58 LYS HA H 4.378 0.002 1 638 371 58 LYS HB2 H 1.746 0.002 2 639 371 58 LYS HB3 H 1.593 0.003 2 640 371 58 LYS HG2 H 1.290 0.001 2 641 371 58 LYS HG3 H 1.254 0.002 2 642 371 58 LYS C C 173.008 0.000 1 643 371 58 LYS CA C 54.182 0.052 1 644 371 58 LYS CB C 35.526 0.024 1 645 371 58 LYS CG C 24.423 0.008 1 646 371 58 LYS N N 127.145 0.000 1 647 372 59 HIS H H 8.576 0.001 1 648 372 59 HIS HA H 4.881 0.004 1 649 372 59 HIS HB2 H 3.030 0.002 2 650 372 59 HIS HB3 H 2.682 0.002 2 651 372 59 HIS HD2 H 6.811 0.001 1 652 372 59 HIS HE1 H 7.751 0.002 1 653 372 59 HIS C C 173.395 0.000 1 654 372 59 HIS CA C 53.183 0.019 1 655 372 59 HIS CB C 35.668 0.026 1 656 372 59 HIS CD2 C 115.300 0.000 1 657 372 59 HIS CE1 C 138.191 0.000 1 658 372 59 HIS N N 125.573 0.000 1 659 373 60 TYR H H 8.622 0.002 1 660 373 60 TYR HA H 5.017 0.002 1 661 373 60 TYR HB2 H 3.251 0.003 2 662 373 60 TYR HB3 H 2.898 0.001 2 663 373 60 TYR HD1 H 7.192 0.003 3 664 373 60 TYR HD2 H 7.192 0.003 3 665 373 60 TYR HE1 H 6.802 0.001 3 666 373 60 TYR HE2 H 6.802 0.001 3 667 373 60 TYR CA C 54.397 0.000 1 668 373 60 TYR CB C 37.897 0.030 1 669 373 60 TYR CD1 C 133.266 0.000 3 670 373 60 TYR CD2 C 133.266 0.000 3 671 373 60 TYR CE1 C 118.027 0.000 3 672 373 60 TYR CE2 C 118.027 0.000 3 673 373 60 TYR N N 126.773 0.000 1 674 374 61 PRO HA H 3.946 0.002 1 675 374 61 PRO HB2 H 2.358 0.002 2 676 374 61 PRO HB3 H 2.024 0.002 2 677 374 61 PRO HG2 H 1.451 0.004 2 678 374 61 PRO HG3 H 2.024 0.002 2 679 374 61 PRO HD2 H 2.770 0.004 2 680 374 61 PRO HD3 H 3.746 0.004 2 681 374 61 PRO C C 179.521 0.000 1 682 374 61 PRO CA C 65.382 0.004 1 683 374 61 PRO CB C 31.992 0.000 1 684 374 61 PRO CG C 27.011 0.017 1 685 374 61 PRO CD C 50.505 0.017 1 686 375 62 GLU H H 9.477 0.001 1 687 375 62 GLU HA H 4.089 0.004 1 688 375 62 GLU HB2 H 2.132 0.001 2 689 375 62 GLU HB3 H 2.055 0.005 2 690 375 62 GLU HG2 H 2.292 0.001 2 691 375 62 GLU HG3 H 2.458 0.002 2 692 375 62 GLU C C 177.302 0.000 1 693 375 62 GLU CA C 58.539 0.036 1 694 375 62 GLU CB C 28.284 0.000 1 695 375 62 GLU CG C 36.404 0.015 1 696 375 62 GLU CD C 183.917 0.000 1 697 375 62 GLU N N 116.402 0.000 1 698 376 63 LYS H H 7.443 0.003 1 699 376 63 LYS HA H 4.567 0.003 1 700 376 63 LYS HB2 H 2.177 0.003 2 701 376 63 LYS HB3 H 1.928 0.005 2 702 376 63 LYS HG2 H 1.488 0.005 2 703 376 63 LYS HG3 H 1.452 0.003 2 704 376 63 LYS HD2 H 1.620 0.005 2 705 376 63 LYS HD3 H 1.478 0.002 2 706 376 63 LYS HE2 H 2.888 0.003 2 707 376 63 LYS C C 177.231 0.000 1 708 376 63 LYS CA C 55.251 0.037 1 709 376 63 LYS CB C 34.463 0.007 1 710 376 63 LYS CG C 25.374 0.012 1 711 376 63 LYS CD C 28.873 0.029 1 712 376 63 LYS CE C 41.798 0.000 1 713 376 63 LYS N N 116.602 0.000 1 714 377 64 GLY H H 8.032 0.003 1 715 377 64 GLY HA2 H 4.201 0.002 2 716 377 64 GLY HA3 H 4.108 0.002 2 717 377 64 GLY C C 173.754 0.000 1 718 377 64 GLY CA C 47.503 0.039 1 719 377 64 GLY N N 109.589 0.000 1 720 378 65 CYS H H 7.634 0.002 1 721 378 65 CYS HA H 6.033 0.002 1 722 378 65 CYS HB2 H 2.932 0.004 2 723 378 65 CYS HB3 H 2.903 0.002 2 724 378 65 CYS CA C 54.773 0.000 1 725 378 65 CYS CB C 33.001 0.004 1 726 378 65 CYS N N 110.256 0.000 1 727 379 66 CYS H H 9.086 0.002 1 728 379 66 CYS HA H 5.382 0.001 1 729 379 66 CYS HB2 H 2.541 0.002 2 730 379 66 CYS HB3 H 2.445 0.006 2 731 379 66 CYS HG H 0.999 0.003 1 732 379 66 CYS C C 170.869 0.000 1 733 379 66 CYS CA C 56.591 0.055 1 734 379 66 CYS CB C 32.364 0.000 1 735 379 66 CYS N N 116.386 0.000 1 736 380 67 PHE H H 8.684 0.001 1 737 380 67 PHE HA H 5.400 0.002 1 738 380 67 PHE HB2 H 2.862 0.002 2 739 380 67 PHE HB3 H 2.781 0.005 2 740 380 67 PHE HD1 H 7.219 0.002 3 741 380 67 PHE HD2 H 7.219 0.002 3 742 380 67 PHE HE1 H 7.440 0.001 3 743 380 67 PHE HE2 H 7.440 0.001 3 744 380 67 PHE HZ H 7.346 0.001 1 745 380 67 PHE C C 175.249 0.000 1 746 380 67 PHE CA C 56.388 0.019 1 747 380 67 PHE CB C 42.010 0.008 1 748 380 67 PHE CD1 C 131.473 0.000 3 749 380 67 PHE CD2 C 131.473 0.000 3 750 380 67 PHE CE1 C 131.624 0.000 3 751 380 67 PHE CE2 C 131.624 0.000 3 752 380 67 PHE CZ C 130.391 0.000 1 753 380 67 PHE N N 117.723 0.000 1 754 381 68 ILE H H 9.155 0.002 1 755 381 68 ILE HA H 4.565 0.004 1 756 381 68 ILE HB H 1.562 0.002 1 757 381 68 ILE HG12 H 0.785 0.001 2 758 381 68 ILE HG13 H 0.430 0.004 2 759 381 68 ILE HG2 H 0.210 0.004 1 760 381 68 ILE HD1 H -0.016 0.001 1 761 381 68 ILE C C 173.484 0.000 1 762 381 68 ILE CA C 59.498 0.001 1 763 381 68 ILE CB C 40.618 0.000 1 764 381 68 ILE CG1 C 27.882 0.009 1 765 381 68 ILE CG2 C 20.247 0.000 1 766 381 68 ILE CD1 C 15.593 0.000 1 767 381 68 ILE N N 124.321 0.000 1 768 382 69 LYS H H 8.904 0.002 1 769 382 69 LYS HA H 4.860 0.005 1 770 382 69 LYS HB2 H 1.839 0.002 2 771 382 69 LYS HB3 H 1.700 0.002 2 772 382 69 LYS HG2 H 1.611 0.003 2 773 382 69 LYS HG3 H 1.197 0.001 2 774 382 69 LYS HE2 H 3.021 0.001 2 775 382 69 LYS HE3 H 2.937 0.001 2 776 382 69 LYS C C 175.430 0.000 1 777 382 69 LYS CA C 55.858 0.025 1 778 382 69 LYS N N 128.801 0.000 1 779 383 70 TYR H H 8.910 0.003 1 780 383 70 TYR HA H 5.313 0.002 1 781 383 70 TYR HB2 H 3.955 0.003 2 782 383 70 TYR HB3 H 3.076 0.002 2 783 383 70 TYR HD1 H 6.947 0.002 3 784 383 70 TYR HD2 H 6.947 0.002 3 785 383 70 TYR HE1 H 6.576 0.001 3 786 383 70 TYR HE2 H 6.576 0.001 3 787 383 70 TYR HH H 8.688 0.003 1 788 383 70 TYR C C 176.550 0.000 1 789 383 70 TYR CA C 58.902 0.002 1 790 383 70 TYR CB C 41.657 0.035 1 791 383 70 TYR CD1 C 132.356 0.000 3 792 383 70 TYR CD2 C 132.356 0.000 3 793 383 70 TYR CE1 C 117.284 0.000 3 794 383 70 TYR CE2 C 117.284 0.000 3 795 383 70 TYR N N 127.054 0.000 1 796 384 71 ASP H H 8.707 0.002 1 797 384 71 ASP HA H 4.794 0.001 1 798 384 71 ASP HB2 H 3.305 0.004 2 799 384 71 ASP HB3 H 3.069 0.002 2 800 384 71 ASP C C 177.039 0.000 1 801 384 71 ASP CA C 57.252 0.014 1 802 384 71 ASP CB C 43.518 0.028 1 803 384 71 ASP CG C 178.187 0.000 1 804 384 71 ASP N N 119.792 0.000 1 805 385 72 THR H H 7.463 0.002 1 806 385 72 THR HA H 5.151 0.003 1 807 385 72 THR HB H 4.835 0.002 1 808 385 72 THR HG1 H 5.592 0.001 1 809 385 72 THR HG2 H 1.295 0.002 1 810 385 72 THR C C 174.572 0.000 1 811 385 72 THR CA C 58.281 0.010 1 812 385 72 THR CB C 72.892 0.000 1 813 385 72 THR N N 100.925 0.000 1 814 386 73 HIS H H 9.286 0.003 1 815 386 73 HIS HA H 4.478 0.003 1 816 386 73 HIS HB2 H 3.682 0.004 2 817 386 73 HIS HB3 H 3.378 0.004 2 818 386 73 HIS HD2 H 7.460 0.001 1 819 386 73 HIS C C 175.967 0.000 1 820 386 73 HIS CA C 59.145 0.061 1 821 386 73 HIS CB C 29.002 0.000 1 822 386 73 HIS CD2 C 119.908 0.000 1 823 386 73 HIS N N 121.525 0.000 1 824 387 74 GLU H H 8.975 0.003 1 825 387 74 GLU HA H 3.852 0.002 1 826 387 74 GLU HB2 H 2.211 0.001 2 827 387 74 GLU HB3 H 2.045 0.005 2 828 387 74 GLU HG2 H 2.494 0.002 2 829 387 74 GLU HG3 H 2.247 0.002 2 830 387 74 GLU C C 177.567 0.000 1 831 387 74 GLU CA C 60.776 0.024 1 832 387 74 GLU CB C 29.062 0.003 1 833 387 74 GLU CG C 37.587 0.041 1 834 387 74 GLU CD C 184.026 0.000 1 835 387 74 GLU N N 118.111 0.000 1 836 388 75 GLN H H 7.643 0.003 1 837 388 75 GLN HA H 3.726 0.003 1 838 388 75 GLN HB2 H 2.229 0.002 2 839 388 75 GLN HB3 H 1.533 0.003 2 840 388 75 GLN HG2 H 2.973 0.002 2 841 388 75 GLN HG3 H 2.585 0.004 2 842 388 75 GLN HE21 H 7.323 0.003 1 843 388 75 GLN HE22 H 7.570 0.002 1 844 388 75 GLN C C 176.941 0.000 1 845 388 75 GLN CA C 58.765 0.045 1 846 388 75 GLN CG C 34.704 0.018 1 847 388 75 GLN CD C 180.995 0.000 1 848 388 75 GLN N N 119.005 0.000 1 849 388 75 GLN NE2 N 109.055 0.002 1 850 389 76 ALA H H 6.870 0.002 1 851 389 76 ALA HA H 3.594 0.002 1 852 389 76 ALA HB H 1.531 0.002 1 853 389 76 ALA C C 178.048 0.000 1 854 389 76 ALA CA C 54.886 0.005 1 855 389 76 ALA CB C 18.544 0.000 1 856 389 76 ALA N N 117.221 0.000 1 857 390 77 ALA H H 7.851 0.003 1 858 390 77 ALA HA H 3.326 0.002 1 859 390 77 ALA HB H 1.395 0.003 1 860 390 77 ALA C C 178.506 0.000 1 861 390 77 ALA CA C 54.686 0.031 1 862 390 77 ALA CB C 19.869 0.000 1 863 390 77 ALA N N 117.916 0.000 1 864 391 78 VAL H H 7.974 0.002 1 865 391 78 VAL HA H 3.265 0.002 1 866 391 78 VAL HB H 2.157 0.002 1 867 391 78 VAL HG1 H 1.082 0.002 2 868 391 78 VAL HG2 H 0.967 0.003 2 869 391 78 VAL C C 176.549 0.000 1 870 391 78 VAL CA C 67.143 0.017 1 871 391 78 VAL CB C 31.299 0.000 1 872 391 78 VAL CG1 C 23.794 0.000 2 873 391 78 VAL CG2 C 22.080 0.000 2 874 391 78 VAL N N 117.207 0.000 1 875 392 79 CYS H H 7.284 0.001 1 876 392 79 CYS HA H 2.417 0.003 1 877 392 79 CYS HB2 H 2.967 0.002 2 878 392 79 CYS HB3 H 2.289 0.003 2 879 392 79 CYS HG H 1.233 0.002 1 880 392 79 CYS C C 174.959 0.000 1 881 392 79 CYS CA C 61.472 0.058 1 882 392 79 CYS CB C 25.894 0.030 1 883 392 79 CYS N N 119.412 0.000 1 884 393 80 ILE H H 7.788 0.003 1 885 393 80 ILE HA H 2.951 0.002 1 886 393 80 ILE HB H 1.396 0.003 1 887 393 80 ILE HG12 H 1.348 0.004 2 888 393 80 ILE HG13 H 0.324 0.005 2 889 393 80 ILE HG2 H 0.418 0.002 1 890 393 80 ILE HD1 H -0.875 0.000 1 891 393 80 ILE C C 178.527 0.000 1 892 393 80 ILE CA C 65.848 0.005 1 893 393 80 ILE CB C 37.748 0.000 1 894 393 80 ILE CG1 C 30.408 0.004 1 895 393 80 ILE CG2 C 16.115 0.000 1 896 393 80 ILE CD1 C 12.078 0.000 1 897 393 80 ILE N N 116.952 0.000 1 898 394 81 VAL H H 7.785 0.002 1 899 394 81 VAL HA H 3.599 0.002 1 900 394 81 VAL HB H 1.823 0.003 1 901 394 81 VAL HG1 H 0.923 0.002 2 902 394 81 VAL HG2 H 0.882 0.003 2 903 394 81 VAL C C 178.354 0.000 1 904 394 81 VAL CA C 65.888 0.002 1 905 394 81 VAL CB C 32.149 0.000 1 906 394 81 VAL CG1 C 23.676 0.000 2 907 394 81 VAL CG2 C 22.231 0.000 2 908 394 81 VAL N N 118.437 0.000 1 909 395 82 ALA H H 8.942 0.002 1 910 395 82 ALA HA H 3.881 0.001 1 911 395 82 ALA HB H 1.002 0.001 1 912 395 82 ALA C C 179.960 0.000 1 913 395 82 ALA CA C 54.937 0.011 1 914 395 82 ALA CB C 20.222 0.000 1 915 395 82 ALA N N 121.715 0.000 1 916 396 83 LEU H H 7.713 0.002 1 917 396 83 LEU HA H 4.424 0.004 1 918 396 83 LEU HB2 H 1.662 0.003 2 919 396 83 LEU HB3 H 1.460 0.004 2 920 396 83 LEU HG H 1.463 0.001 1 921 396 83 LEU HD1 H 0.834 0.002 2 922 396 83 LEU HD2 H 0.270 0.002 2 923 396 83 LEU C C 175.990 0.000 1 924 396 83 LEU CA C 53.644 0.043 1 925 396 83 LEU CB C 40.377 0.005 1 926 396 83 LEU CG C 26.126 0.000 1 927 396 83 LEU CD1 C 27.707 0.000 2 928 396 83 LEU CD2 C 22.293 0.000 2 929 396 83 LEU N N 110.991 0.000 1 930 397 84 ALA H H 6.855 0.001 1 931 397 84 ALA HA H 3.993 0.004 1 932 397 84 ALA HB H 1.429 0.003 1 933 397 84 ALA C C 179.257 0.000 1 934 397 84 ALA CA C 54.485 0.026 1 935 397 84 ALA CB C 17.586 0.000 1 936 397 84 ALA N N 124.013 0.000 1 937 398 85 ASN H H 8.774 0.003 1 938 398 85 ASN HA H 4.544 0.003 1 939 398 85 ASN HB2 H 3.208 0.004 2 940 398 85 ASN HB3 H 2.872 0.005 2 941 398 85 ASN HD21 H 7.707 0.001 1 942 398 85 ASN HD22 H 7.018 0.002 1 943 398 85 ASN C C 174.637 0.000 1 944 398 85 ASN CA C 55.022 0.002 1 945 398 85 ASN CB C 38.654 0.015 1 946 398 85 ASN CG C 178.655 0.000 1 947 398 85 ASN N N 123.776 0.000 1 948 398 85 ASN ND2 N 113.804 0.001 1 949 399 86 PHE H H 8.057 0.001 1 950 399 86 PHE HA H 4.776 0.001 1 951 399 86 PHE HB2 H 3.206 0.002 2 952 399 86 PHE HB3 H 2.962 0.004 2 953 399 86 PHE HD1 H 7.390 0.001 3 954 399 86 PHE HD2 H 7.390 0.001 3 955 399 86 PHE HE1 H 7.253 0.001 3 956 399 86 PHE HE2 H 7.253 0.001 3 957 399 86 PHE HZ H 7.329 0.001 1 958 399 86 PHE C C 173.810 0.000 1 959 399 86 PHE CA C 56.390 0.006 1 960 399 86 PHE CB C 41.646 0.003 1 961 399 86 PHE N N 124.329 0.000 1 962 400 87 PRO HA H 4.777 0.001 1 963 400 87 PRO HB2 H 1.760 0.003 2 964 400 87 PRO HG2 H 1.931 0.001 2 965 400 87 PRO HG3 H 1.790 0.002 2 966 400 87 PRO HD2 H 3.852 0.003 2 967 400 87 PRO HD3 H 2.793 0.002 2 968 400 87 PRO C C 174.902 0.000 1 969 400 87 PRO CA C 62.032 0.023 1 970 400 87 PRO CB C 30.904 0.034 1 971 400 87 PRO CG C 27.420 0.021 1 972 400 87 PRO CD C 50.560 0.014 1 973 401 88 PHE H H 9.279 0.003 1 974 401 88 PHE HA H 4.596 0.006 1 975 401 88 PHE HB2 H 3.073 0.003 2 976 401 88 PHE HB3 H 2.944 0.004 2 977 401 88 PHE HD1 H 7.225 0.001 3 978 401 88 PHE HD2 H 7.225 0.001 3 979 401 88 PHE HE1 H 7.147 0.001 3 980 401 88 PHE HE2 H 7.147 0.001 3 981 401 88 PHE HZ H 6.971 0.001 1 982 401 88 PHE C C 173.243 0.000 1 983 401 88 PHE CA C 57.555 0.021 1 984 401 88 PHE CB C 42.026 0.018 1 985 401 88 PHE CZ C 129.636 0.000 1 986 401 88 PHE N N 127.695 0.000 1 987 402 89 GLN H H 8.749 0.002 1 988 402 89 GLN HA H 3.579 0.002 1 989 402 89 GLN HB2 H 2.182 0.003 2 990 402 89 GLN HB3 H 1.567 0.003 2 991 402 89 GLN HG2 H 1.631 0.003 2 992 402 89 GLN HG3 H 1.147 0.002 2 993 402 89 GLN HE21 H 6.733 0.002 1 994 402 89 GLN HE22 H 6.448 0.002 1 995 402 89 GLN C C 175.410 0.000 1 996 402 89 GLN CA C 56.737 0.055 1 997 402 89 GLN CB C 26.568 0.041 1 998 402 89 GLN CG C 33.164 0.024 1 999 402 89 GLN CD C 179.354 0.000 1 1000 402 89 GLN N N 122.328 0.000 1 1001 402 89 GLN NE2 N 107.805 0.002 1 1002 403 90 GLY H H 8.314 0.004 1 1003 403 90 GLY HA2 H 4.270 0.002 2 1004 403 90 GLY HA3 H 3.570 0.002 2 1005 403 90 GLY C C 174.495 0.000 1 1006 403 90 GLY CA C 45.192 0.047 1 1007 403 90 GLY N N 102.502 0.000 1 1008 404 91 ARG H H 7.932 0.001 1 1009 404 91 ARG HA H 4.669 0.002 1 1010 404 91 ARG HB2 H 2.100 0.004 2 1011 404 91 ARG HB3 H 1.908 0.004 2 1012 404 91 ARG HG2 H 1.662 0.002 2 1013 404 91 ARG HG3 H 1.613 0.002 2 1014 404 91 ARG HD2 H 3.102 0.001 2 1015 404 91 ARG C C 174.335 0.000 1 1016 404 91 ARG CA C 53.828 0.053 1 1017 404 91 ARG CB C 33.704 0.000 1 1018 404 91 ARG CG C 27.299 0.001 1 1019 404 91 ARG CD C 42.819 0.000 1 1020 404 91 ARG N N 120.375 0.000 1 1021 405 92 ASN H H 8.335 0.002 1 1022 405 92 ASN HA H 5.162 0.003 1 1023 405 92 ASN HB2 H 2.602 0.004 2 1024 405 92 ASN HB3 H 2.337 0.004 2 1025 405 92 ASN HD21 H 7.181 0.004 1 1026 405 92 ASN HD22 H 6.894 0.002 1 1027 405 92 ASN C C 175.333 0.000 1 1028 405 92 ASN CA C 52.562 0.042 1 1029 405 92 ASN CB C 38.963 0.002 1 1030 405 92 ASN N N 118.928 0.000 1 1031 405 92 ASN ND2 N 110.302 0.003 1 1032 406 93 LEU H H 9.296 0.002 1 1033 406 93 LEU HA H 4.488 0.001 1 1034 406 93 LEU HB2 H 1.380 0.001 2 1035 406 93 LEU HB3 H 2.514 0.003 2 1036 406 93 LEU HG H 2.409 0.004 1 1037 406 93 LEU HD1 H 0.833 0.002 2 1038 406 93 LEU HD2 H 0.806 0.001 2 1039 406 93 LEU CA C 56.149 0.000 1 1040 406 93 LEU CB C 41.357 0.015 1 1041 406 93 LEU CG C 26.376 0.000 1 1042 406 93 LEU CD1 C 25.835 0.000 2 1043 406 93 LEU CD2 C 22.584 0.000 2 1044 406 93 LEU N N 125.760 0.000 1 1045 407 94 ARG H H 8.019 0.003 1 1046 407 94 ARG HA H 5.046 0.003 1 1047 407 94 ARG HB2 H 1.855 0.004 2 1048 407 94 ARG HB3 H 1.655 0.003 2 1049 407 94 ARG HG2 H 1.655 0.001 2 1050 407 94 ARG HG3 H 1.713 0.002 2 1051 407 94 ARG HD2 H 3.339 0.001 2 1052 407 94 ARG HD3 H 3.285 0.001 2 1053 407 94 ARG C C 175.606 0.000 1 1054 407 94 ARG CA C 53.689 0.028 1 1055 407 94 ARG CB C 33.123 0.026 1 1056 407 94 ARG CG C 27.566 0.003 1 1057 407 94 ARG CD C 43.356 0.005 1 1058 407 94 ARG N N 119.412 0.000 1 1059 408 95 THR H H 8.583 0.002 1 1060 408 95 THR HA H 5.657 0.002 1 1061 408 95 THR HB H 4.064 0.002 1 1062 408 95 THR HG1 H 5.826 0.002 1 1063 408 95 THR HG2 H 0.983 0.001 1 1064 408 95 THR C C 175.052 0.000 1 1065 408 95 THR CA C 58.482 0.056 1 1066 408 95 THR CB C 72.330 0.000 1 1067 408 95 THR CG2 C 23.251 0.000 1 1068 408 95 THR N N 110.880 0.000 1 1069 409 96 GLY H H 8.491 0.001 1 1070 409 96 GLY HA2 H 4.207 0.002 2 1071 409 96 GLY HA3 H 3.921 0.001 2 1072 409 96 GLY C C 171.129 0.000 1 1073 409 96 GLY CA C 44.909 0.003 1 1074 409 96 GLY N N 104.989 0.000 1 1075 410 97 TRP H H 8.847 0.001 1 1076 410 97 TRP HA H 4.838 0.005 1 1077 410 97 TRP HB2 H 3.379 0.004 2 1078 410 97 TRP HB3 H 3.090 0.003 2 1079 410 97 TRP HD1 H 7.167 0.000 1 1080 410 97 TRP HE1 H 9.759 0.002 1 1081 410 97 TRP HE3 H 7.778 0.001 1 1082 410 97 TRP HZ2 H 6.860 0.002 1 1083 410 97 TRP HZ3 H 6.532 0.002 1 1084 410 97 TRP HH2 H 6.563 0.003 1 1085 410 97 TRP C C 178.574 0.000 1 1086 410 97 TRP CA C 58.149 0.065 1 1087 410 97 TRP CB C 30.598 0.000 1 1088 410 97 TRP CD1 C 125.922 0.000 1 1089 410 97 TRP CE3 C 121.790 0.000 1 1090 410 97 TRP CZ2 C 112.832 0.000 1 1091 410 97 TRP CZ3 C 121.856 0.000 1 1092 410 97 TRP CH2 C 123.385 0.000 1 1093 410 97 TRP N N 120.445 0.000 1 1094 410 97 TRP NE1 N 127.532 0.000 1 1095 411 98 GLY H H 8.957 0.002 1 1096 411 98 GLY HA2 H 4.503 0.002 2 1097 411 98 GLY HA3 H 3.419 0.003 2 1098 411 98 GLY C C 171.893 0.000 1 1099 411 98 GLY CA C 44.385 0.058 1 1100 411 98 GLY N N 109.741 0.000 1 1101 412 99 LYS H H 7.998 0.004 1 1102 412 99 LYS HA H 4.438 0.005 1 1103 412 99 LYS HB2 H 1.808 0.002 2 1104 412 99 LYS HB3 H 1.706 0.005 2 1105 412 99 LYS HG2 H 1.425 0.005 2 1106 412 99 LYS HG3 H 1.387 0.005 2 1107 412 99 LYS HD2 H 1.660 0.000 2 1108 412 99 LYS HE2 H 2.955 0.004 2 1109 412 99 LYS C C 176.213 0.000 1 1110 412 99 LYS CA C 55.800 0.051 1 1111 412 99 LYS CB C 34.118 0.005 1 1112 412 99 LYS CG C 24.780 0.001 1 1113 412 99 LYS CD C 29.031 0.000 1 1114 412 99 LYS CE C 41.915 0.000 1 1115 412 99 LYS N N 119.232 0.000 1 1116 413 100 GLU H H 8.626 0.002 1 1117 413 100 GLU HA H 4.249 0.002 1 1118 413 100 GLU HB2 H 2.113 0.002 2 1119 413 100 GLU HB3 H 1.900 0.005 2 1120 413 100 GLU HG2 H 2.312 0.002 2 1121 413 100 GLU HG3 H 2.279 0.004 2 1122 413 100 GLU C C 175.501 0.037 1 1123 413 100 GLU CA C 56.548 0.046 1 1124 413 100 GLU CG C 36.734 0.022 1 1125 413 100 GLU CD C 183.972 0.000 1 1126 413 100 GLU N N 122.114 0.000 1 1127 414 101 ARG H H 7.984 0.002 1 1128 414 101 ARG HA H 4.092 0.002 1 1129 414 101 ARG HB2 H 1.806 0.003 2 1130 414 101 ARG HB3 H 1.679 0.004 2 1131 414 101 ARG HG2 H 1.530 0.003 2 1132 414 101 ARG HD2 H 3.106 0.003 2 1133 414 101 ARG C C 180.816 0.000 1 1134 414 101 ARG CA C 57.383 0.032 1 1135 414 101 ARG CB C 31.256 0.020 1 1136 414 101 ARG CG C 27.043 0.000 1 1137 414 101 ARG CD C 43.197 0.000 1 1138 414 101 ARG N N 126.180 0.000 1 stop_ save_