data_18535 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF DOUBLE-STRANDED RNA BINDING DOMAIN OF S.CEREVISIAE RNASE III (RNT1P) ; _BMRB_accession_number 18535 _BMRB_flat_file_name bmr18535.str _Entry_type original _Submission_date 2012-06-19 _Accession_date 2012-06-19 _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 Wang Zhonghua . . 2 Feigon Juli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 433 "13C chemical shifts" 355 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18534 'Double Stranded RNA binding domain of Ribonuclease III(Rnt1p) in complex with RNA' stop_ _Original_release_date 2012-08-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of a yeast RNase III dsRBD complex with a noncanonical RNA substrate provides new insights into binding specificity of dsRBDs.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21742266 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Zhonghua . . 2 Hartman Elon . . 3 Roy Kevin . . 4 Chanfreau Guillaume . . 5 Feigon Juli . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 19 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 999 _Page_last 1010 _Year 2011 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference _Saveframe_category citation _Citation_full . _Citation_title 'STRUCTURE OF A YEAST RNASE III DSRBD COMPLEX WITH A NONCANONICAL RNA SUBSTRATE PROVIDES NEW INSIGHTS INTO BINDING SPECIFICITY OF DSRBDS.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Zhonghua . . 2 Hartman Elon . . 3 Roy Kevin . . 4 Chanfreau Guillaume . . 5 Feigon Juli . . stop_ _Journal_abbreviation Structure _Journal_name_full . _Journal_volume 19 _Journal_issue 7 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 999 _Page_last 1010 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ribonuclease III' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ribonuclease III' $Ribonuc_III 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_Ribonuc_III _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ribonuclease III' _Molecular_mass 9822.442 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSLDMNAKRQLYSLIGYASL RLHYVTVKKPTAVDPNSIVE CRVGDGTVLGTGVGRNIKIA GIRAAENALRDKKMLDFYAK QRAAIPRSES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 364 GLY 2 365 SER 3 366 LEU 4 367 ASP 5 368 MET 6 369 ASN 7 370 ALA 8 371 LYS 9 372 ARG 10 373 GLN 11 374 LEU 12 375 TYR 13 376 SER 14 377 LEU 15 378 ILE 16 379 GLY 17 380 TYR 18 381 ALA 19 382 SER 20 383 LEU 21 384 ARG 22 385 LEU 23 386 HIS 24 387 TYR 25 388 VAL 26 389 THR 27 390 VAL 28 391 LYS 29 392 LYS 30 393 PRO 31 394 THR 32 395 ALA 33 396 VAL 34 397 ASP 35 398 PRO 36 399 ASN 37 400 SER 38 401 ILE 39 402 VAL 40 403 GLU 41 404 CYS 42 405 ARG 43 406 VAL 44 407 GLY 45 408 ASP 46 409 GLY 47 410 THR 48 411 VAL 49 412 LEU 50 413 GLY 51 414 THR 52 415 GLY 53 416 VAL 54 417 GLY 55 418 ARG 56 419 ASN 57 420 ILE 58 421 LYS 59 422 ILE 60 423 ALA 61 424 GLY 62 425 ILE 63 426 ARG 64 427 ALA 65 428 ALA 66 429 GLU 67 430 ASN 68 431 ALA 69 432 LEU 70 433 ARG 71 434 ASP 72 435 LYS 73 436 LYS 74 437 MET 75 438 LEU 76 439 ASP 77 440 PHE 78 441 TYR 79 442 ALA 80 443 LYS 81 444 GLN 82 445 ARG 83 446 ALA 84 447 ALA 85 448 ILE 86 449 PRO 87 450 ARG 88 451 SER 89 452 GLU 90 453 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 17574 "yeast RNase III dsRBD" 100.00 90 100.00 100.00 1.29e-57 BMRB 18534 "Ribonuclease III" 100.00 90 100.00 100.00 1.29e-57 PDB 1T4L "Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With The 5' Terminal Rna" 100.00 90 100.00 100.00 1.29e-57 PDB 1T4N "Solution Structure Of Rnt1p Dsrbd" 91.11 94 100.00 100.00 1.48e-51 PDB 1T4O "Crystal Structure Of Rnt1p Dsrbd" 97.78 117 100.00 100.00 1.44e-56 PDB 2LBS "Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With Aagu Tetraloop Hair" 100.00 90 100.00 100.00 1.29e-57 PDB 2LUP "Rdc Refined Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With The Ter" 100.00 90 100.00 100.00 1.29e-57 PDB 2LUQ "Solution Structure Of Double-stranded Rna Binding Domain Of S.cerevisiae Rnase Iii (rnt1p)" 100.00 90 100.00 100.00 1.29e-57 PDB 4OOG "Crystal Structure Of Yeast Rnase Iii (rnt1p) Complexed With The Product Of Dsrna Processing" 97.78 261 100.00 100.00 1.12e-54 DBJ GAA25690 "K7_Rnt1p [Saccharomyces cerevisiae Kyokai no. 7]" 97.78 471 100.00 100.00 6.72e-51 EMBL CAA90210 "unknown [Saccharomyces cerevisiae]" 97.78 362 100.00 100.00 4.39e-52 EMBL CAY82070 "Rnt1p [Saccharomyces cerevisiae EC1118]" 97.78 471 98.86 98.86 3.23e-50 GB AAB04172 "Rnt1p [Saccharomyces cerevisiae]" 97.78 471 100.00 100.00 6.72e-51 GB AHY76694 "Rnt1p [Saccharomyces cerevisiae YJM993]" 97.78 471 100.00 100.00 6.72e-51 GB AJP40933 "Rnt1p [Saccharomyces cerevisiae YJM1078]" 97.78 471 100.00 100.00 8.20e-51 GB AJS62105 "Rnt1p [Saccharomyces cerevisiae YJM189]" 97.78 471 100.00 100.00 6.72e-51 GB AJS62540 "Rnt1p [Saccharomyces cerevisiae YJM193]" 97.78 471 100.00 100.00 6.72e-51 REF NP_013966 "Rnt1p [Saccharomyces cerevisiae S288c]" 97.78 471 100.00 100.00 6.72e-51 SP Q02555 "RecName: Full=Ribonuclease 3; AltName: Full=Ribonuclease III; Short=RNase III" 97.78 471 100.00 100.00 6.72e-51 TPG DAA10139 "TPA: Rnt1p [Saccharomyces cerevisiae S288c]" 97.78 471 100.00 100.00 6.72e-51 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 _Variant _Gene_mnemonic $Ribonuc_III 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae YM9408.01C,YM9959.21 YMR239C RNT1 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 $Ribonuc_III 'recombinant technology' . Escherichia coli BL21 PGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM phosphate, Ph6.5, 150mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ribonuc_III 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20 mM phosphate, Ph6.5, 150mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ribonuc_III 1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % '[U-100% 2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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-15N HSQC' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Ribonuclease III' _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 1 365 2 SER C C 174.34 0.30 1 2 365 2 SER CA C 58.46 0.30 1 3 365 2 SER CB C 63.78 0.30 1 4 366 3 LEU H H 8.32 0.02 1 5 366 3 LEU HA H 4.43 0.02 1 6 366 3 LEU HB2 H 1.57 0.02 2 7 366 3 LEU HB3 H 1.54 0.02 2 8 366 3 LEU HG H 1.53 0.02 1 9 366 3 LEU HD1 H 0.88 0.02 2 10 366 3 LEU HD2 H 0.84 0.02 2 11 366 3 LEU C C 176.49 0.30 1 12 366 3 LEU CA C 55.81 0.30 1 13 366 3 LEU CB C 43.06 0.30 1 14 366 3 LEU CG C 27.39 0.30 1 15 366 3 LEU CD1 C 25.03 0.30 1 16 366 3 LEU CD2 C 25.03 0.30 1 17 366 3 LEU N N 124.11 0.30 1 18 367 4 ASP H H 8.44 0.02 1 19 367 4 ASP HA H 4.71 0.02 1 20 367 4 ASP HB2 H 2.55 0.02 2 21 367 4 ASP HB3 H 2.77 0.02 2 22 367 4 ASP C C 176.16 0.30 1 23 367 4 ASP CA C 53.96 0.30 1 24 367 4 ASP CB C 40.42 0.30 1 25 367 4 ASP N N 122.58 0.30 1 26 368 5 MET H H 8.26 0.02 1 27 368 5 MET HA H 4.42 0.02 1 28 368 5 MET HB2 H 1.97 0.02 2 29 368 5 MET HB3 H 2.51 0.02 2 30 368 5 MET C C 176.42 0.30 1 31 368 5 MET CA C 55.44 0.30 1 32 368 5 MET CB C 31.95 0.30 1 33 368 5 MET N N 121.43 0.30 1 34 369 6 ASN H H 8.25 0.02 1 35 369 6 ASN HA H 4.71 0.02 1 36 369 6 ASN HB2 H 2.81 0.02 2 37 369 6 ASN HB3 H 2.95 0.02 2 38 369 6 ASN C C 176.22 0.30 1 39 369 6 ASN CA C 52.85 0.30 1 40 369 6 ASN CB C 39.3 0.30 1 41 369 6 ASN N N 118.94 0.30 1 42 370 7 ALA H H 8.31 0.02 1 43 370 7 ALA HA H 3.97 0.02 1 44 370 7 ALA HB H 1.46 0.02 1 45 370 7 ALA C C 179.14 0.30 1 46 370 7 ALA CA C 56.39 0.30 1 47 370 7 ALA CB C 20.18 0.30 1 48 370 7 ALA N N 122.77 0.30 1 49 371 8 LYS H H 7.92 0.02 1 50 371 8 LYS HA H 3.87 0.02 1 51 371 8 LYS HB2 H 1.74 0.02 2 52 371 8 LYS HB3 H 1.74 0.02 2 53 371 8 LYS HD2 H 1.59 0.02 2 54 371 8 LYS HD3 H 1.99 0.02 2 55 371 8 LYS C C 180.46 0.30 1 56 371 8 LYS CA C 60.26 0.30 1 57 371 8 LYS CB C 32.08 0.30 1 58 371 8 LYS CE C 41.08 0.30 1 59 371 8 LYS N N 114.27 0.30 1 60 372 9 ARG H H 7.63 0.02 1 61 372 9 ARG HA H 4.09 0.02 1 62 372 9 ARG HB2 H 1.89 0.02 2 63 372 9 ARG HB3 H 1.89 0.02 2 64 372 9 ARG HG2 H 1.74 0.02 2 65 372 9 ARG HG3 H 1.74 0.02 2 66 372 9 ARG HD2 H 3.18 0.02 2 67 372 9 ARG HD3 H 3.18 0.02 2 68 372 9 ARG C C 179.21 0.30 1 69 372 9 ARG CA C 59.11 0.30 1 70 372 9 ARG CB C 29.81 0.30 1 71 372 9 ARG CG C 27.58 0.30 1 72 372 9 ARG CD C 43.12 0.30 1 73 372 9 ARG N N 121.09 0.30 1 74 373 10 GLN H H 8.5 0.02 1 75 373 10 GLN HA H 4.07 0.02 1 76 373 10 GLN HB2 H 2.01 0.02 2 77 373 10 GLN HB3 H 2.1 0.02 2 78 373 10 GLN HG2 H 2.31 0.02 2 79 373 10 GLN HG3 H 2.31 0.02 2 80 373 10 GLN C C 178.77 0.30 1 81 373 10 GLN CA C 58.85 0.30 1 82 373 10 GLN CB C 28.47 0.30 1 83 373 10 GLN CG C 33.32 0.30 1 84 373 10 GLN N N 121.42 0.30 1 85 374 11 LEU H H 8.38 0.02 1 86 374 11 LEU HA H 4.03 0.02 1 87 374 11 LEU HB2 H 1.43 0.02 2 88 374 11 LEU HB3 H 1.98 0.02 2 89 374 11 LEU HG H 1.29 0.02 1 90 374 11 LEU HD1 H 0.9 0.02 2 91 374 11 LEU HD2 H 0.77 0.02 2 92 374 11 LEU C C 178.01 0.30 1 93 374 11 LEU CA C 58.72 0.30 1 94 374 11 LEU CB C 42 0.30 1 95 374 11 LEU CG C 28.14 0.30 1 96 374 11 LEU CD1 C 26.72 0.30 1 97 374 11 LEU CD2 C 23.89 0.30 1 98 374 11 LEU N N 119.83 0.30 1 99 375 12 TYR H H 7.86 0.02 1 100 375 12 TYR HA H 3.55 0.02 1 101 375 12 TYR HB2 H 3.07 0.02 2 102 375 12 TYR HB3 H 3.07 0.02 2 103 375 12 TYR HD1 H 7.17 0.02 3 104 375 12 TYR HD2 H 7.17 0.02 3 105 375 12 TYR HE1 H 7.04 0.02 3 106 375 12 TYR HE2 H 7.04 0.02 3 107 375 12 TYR C C 178.64 0.30 1 108 375 12 TYR CA C 62.43 0.30 1 109 375 12 TYR CB C 38.09 0.30 1 110 375 12 TYR N N 118.1 0.30 1 111 376 13 SER H H 8.45 0.02 1 112 376 13 SER HA H 4.24 0.02 1 113 376 13 SER HB2 H 4.04 0.02 2 114 376 13 SER HB3 H 4.04 0.02 2 115 376 13 SER C C 175.73 0.30 1 116 376 13 SER CA C 61.56 0.30 1 117 376 13 SER CB C 62.85 0.30 1 118 376 13 SER N N 114.88 0.30 1 119 377 14 LEU H H 7.54 0.02 1 120 377 14 LEU HA H 4.31 0.02 1 121 377 14 LEU HB2 H 1.48 0.02 2 122 377 14 LEU HB3 H 1.88 0.02 2 123 377 14 LEU HG H 1.49 0.02 1 124 377 14 LEU HD1 H 0.89 0.02 2 125 377 14 LEU C C 178.48 0.30 1 126 377 14 LEU CA C 57.29 0.30 1 127 377 14 LEU CB C 41.65 0.30 1 128 377 14 LEU CG C 26.85 0.30 1 129 377 14 LEU CD1 C 25.99 0.30 1 130 377 14 LEU CD2 C 23.27 0.30 1 131 377 14 LEU N N 120.78 0.30 1 132 378 15 ILE H H 7.43 0.02 1 133 378 15 ILE HA H 4.55 0.02 1 134 378 15 ILE HB H 2.05 0.02 1 135 378 15 ILE HG12 H 0.75 0.02 9 136 378 15 ILE HG13 H 0.92 0.02 9 137 378 15 ILE HG2 H 0.9 0.02 1 138 378 15 ILE HD1 H 0.45 0.02 1 139 378 15 ILE C C 174.8 0.30 1 140 378 15 ILE CA C 60.65 0.30 1 141 378 15 ILE CB C 41.06 0.30 1 142 378 15 ILE CG1 C 25.01 0.30 1 143 378 15 ILE CG2 C 19.08 0.30 1 144 378 15 ILE CD1 C 14.93 0.30 1 145 378 15 ILE N N 106.34 0.30 1 146 379 16 GLY H H 8.21 0.02 1 147 379 16 GLY HA2 H 2.3 0.02 2 148 379 16 GLY HA3 H 3.2 0.02 2 149 379 16 GLY C C 173.71 0.30 1 150 379 16 GLY CA C 45.81 0.30 1 151 379 16 GLY N N 108.4 0.30 1 152 380 17 TYR H H 6.68 0.02 1 153 380 17 TYR HA H 4.65 0.02 1 154 380 17 TYR HB2 H 3.08 0.02 2 155 380 17 TYR HB3 H 3.28 0.02 2 156 380 17 TYR HD1 H 7.17 0.02 3 157 380 17 TYR HD2 H 7.17 0.02 3 158 380 17 TYR CA C 56.49 0.30 1 159 380 17 TYR CB C 38.09 0.30 1 160 380 17 TYR N N 115.48 0.30 1 161 381 18 ALA C C 180.6 0.30 1 162 381 18 ALA CA C 57.1 0.30 1 163 381 18 ALA CB C 18.23 0.30 1 164 382 19 SER H H 8.66 0.02 1 165 382 19 SER C C 174.27 0.30 1 166 382 19 SER CA C 60.1 0.30 1 167 382 19 SER CB C 62.48 0.30 1 168 382 19 SER N N 110.81 0.30 1 169 383 20 LEU H H 6.85 0.02 1 170 383 20 LEU HA H 3.78 0.02 1 171 383 20 LEU HB2 H 1.35 0.02 2 172 383 20 LEU HB3 H 1.35 0.02 2 173 383 20 LEU HD1 H 0.84 0.02 2 174 383 20 LEU HD2 H 0.65 0.02 2 175 383 20 LEU C C 176.42 0.30 1 176 383 20 LEU CA C 55.81 0.30 1 177 383 20 LEU CB C 41.35 0.30 1 178 383 20 LEU CG C 26.45 0.30 1 179 383 20 LEU CD1 C 19.58 0.30 1 180 383 20 LEU CD2 C 22.65 0.30 1 181 383 20 LEU N N 124.27 0.30 1 182 384 21 ARG H H 7.52 0.02 1 183 384 21 ARG HA H 3.8 0.02 1 184 384 21 ARG HB2 H 1.35 0.02 2 185 384 21 ARG HB3 H 1.49 0.02 2 186 384 21 ARG HD2 H 3.1 0.02 2 187 384 21 ARG HD3 H 3.1 0.02 2 188 384 21 ARG C C 174.87 0.30 1 189 384 21 ARG CA C 56.52 0.30 1 190 384 21 ARG CB C 27.49 0.30 1 191 384 21 ARG CD C 43.53 0.30 1 192 384 21 ARG N N 113.91 0.30 1 193 385 22 LEU H H 8.45 0.02 1 194 385 22 LEU HA H 4.73 0.02 1 195 385 22 LEU HB2 H 1.27 0.02 2 196 385 22 LEU HB3 H 1.7 0.02 2 197 385 22 LEU HD1 H 0.65 0.02 2 198 385 22 LEU HD2 H 0.52 0.02 2 199 385 22 LEU C C 177.32 0.30 1 200 385 22 LEU CA C 55.81 0.30 1 201 385 22 LEU CB C 42.83 0.30 1 202 385 22 LEU CG C 27.42 0.30 1 203 385 22 LEU CD1 C 25.89 0.30 1 204 385 22 LEU CD2 C 25.89 0.30 1 205 385 22 LEU N N 124.27 0.30 1 206 386 23 HIS H H 9.5 0.02 1 207 386 23 HIS HA H 4.86 0.02 1 208 386 23 HIS HB2 H 3.01 0.02 2 209 386 23 HIS HB3 H 3.13 0.02 2 210 386 23 HIS HD1 H 6.74 0.02 1 211 386 23 HIS C C 170.39 0.30 1 212 386 23 HIS CA C 55.44 0.30 1 213 386 23 HIS CB C 30.37 0.30 1 214 386 23 HIS N N 125.85 0.30 1 215 387 24 TYR H H 8.59 0.02 1 216 387 24 TYR HA H 5.08 0.02 1 217 387 24 TYR HB2 H 2.55 0.02 2 218 387 24 TYR HB3 H 2.72 0.02 2 219 387 24 TYR HD1 H 6.9 0.02 3 220 387 24 TYR HD2 H 6.9 0.02 3 221 387 24 TYR HE1 H 6.64 0.02 3 222 387 24 TYR HE2 H 6.64 0.02 3 223 387 24 TYR C C 176.12 0.30 1 224 387 24 TYR CA C 57.24 0.30 1 225 387 24 TYR CB C 39.28 0.30 1 226 387 24 TYR N N 118.86 0.30 1 227 388 25 VAL H H 9.24 0.02 1 228 388 25 VAL HA H 4.32 0.02 1 229 388 25 VAL HB H 1.74 0.02 1 230 388 25 VAL HG1 H 0.91 0.02 2 231 388 25 VAL HG2 H 0.82 0.02 2 232 388 25 VAL C C 175.1 0.30 1 233 388 25 VAL CA C 61.03 0.30 1 234 388 25 VAL CB C 35.73 0.30 1 235 388 25 VAL CG1 C 22.39 0.30 1 236 388 25 VAL CG2 C 20.68 0.30 1 237 388 25 VAL N N 124.73 0.30 1 238 389 26 THR H H 9.17 0.02 1 239 389 26 THR HA H 4.32 0.02 1 240 389 26 THR HB H 4.12 0.02 1 241 389 26 THR HG2 H 1.04 0.02 1 242 389 26 THR C C 174.2 0.30 1 243 389 26 THR CA C 62.91 0.30 1 244 389 26 THR CB C 67.86 0.30 1 245 389 26 THR CG2 C 23.24 0.30 1 246 389 26 THR N N 126.44 0.30 1 247 390 27 VAL H H 8.64 0.02 1 248 390 27 VAL HA H 4.15 0.02 1 249 390 27 VAL HB H 1.95 0.02 1 250 390 27 VAL HG1 H 0.76 0.02 2 251 390 27 VAL HG2 H 0.76 0.02 2 252 390 27 VAL C C 175.79 0.30 1 253 390 27 VAL CA C 62.6 0.30 1 254 390 27 VAL CB C 32.33 0.30 1 255 390 27 VAL CG1 C 20.58 0.30 1 256 390 27 VAL CG2 C 20.58 0.30 1 257 390 27 VAL N N 127.28 0.30 1 258 391 28 LYS H H 7.79 0.02 1 259 391 28 LYS HA H 4.54 0.02 1 260 391 28 LYS HB2 H 1.46 0.02 2 261 391 28 LYS HB3 H 1.81 0.02 2 262 391 28 LYS HG2 H 1.47 0.02 2 263 391 28 LYS HG3 H 1.47 0.02 2 264 391 28 LYS HE2 H 2.98 0.02 2 265 391 28 LYS HE3 H 2.98 0.02 2 266 391 28 LYS C C 174.53 0.30 1 267 391 28 LYS CA C 56.5 0.30 1 268 391 28 LYS CB C 35.73 0.30 1 269 391 28 LYS CG C 24.69 0.30 1 270 391 28 LYS CD C 29.08 0.30 1 271 391 28 LYS CE C 42.24 0.30 1 272 391 28 LYS N N 121.76 0.30 1 273 392 29 LYS H H 8.67 0.02 1 274 392 29 LYS HA H 4.54 0.02 1 275 392 29 LYS HB2 H 1.65 0.02 2 276 392 29 LYS HB3 H 1.87 0.02 2 277 392 29 LYS HG2 H 1.47 0.02 2 278 392 29 LYS HG3 H 1.47 0.02 2 279 392 29 LYS HD2 H 1.64 0.02 2 280 392 29 LYS HD3 H 1.64 0.02 2 281 392 29 LYS HE2 H 2.98 0.02 2 282 392 29 LYS HE3 H 2.98 0.02 2 283 392 29 LYS CA C 54.33 0.30 1 284 392 29 LYS CB C 32.27 0.30 1 285 392 29 LYS N N 127.76 0.30 1 286 393 30 PRO C C 176.52 0.30 1 287 393 30 PRO CA C 63.3 0.30 1 288 393 30 PRO CB C 32.44 0.30 1 289 393 30 PRO CG C 27.45 0.30 1 290 393 30 PRO CD C 50.16 0.30 1 291 394 31 THR H H 8.28 0.02 1 292 394 31 THR HA H 4.66 0.02 1 293 394 31 THR HB H 4.44 0.02 1 294 394 31 THR HG2 H 1.22 0.02 1 295 394 31 THR C C 175.03 0.30 1 296 394 31 THR CA C 59.52 0.30 1 297 394 31 THR CB C 72.59 0.30 1 298 394 31 THR CG2 C 21.69 0.30 1 299 394 31 THR N N 113.26 0.30 1 300 395 32 ALA H H 8.58 0.02 1 301 395 32 ALA HA H 4.7 0.02 1 302 395 32 ALA HB H 1.41 0.02 1 303 395 32 ALA C C 179.47 0.30 1 304 395 32 ALA CA C 54.78 0.30 1 305 395 32 ALA CB C 18.55 0.30 1 306 395 32 ALA N N 121.36 0.30 1 307 396 33 VAL H H 7.31 0.02 1 308 396 33 VAL HA H 4.08 0.02 1 309 396 33 VAL HB H 2.07 0.02 1 310 396 33 VAL HG1 H 0.88 0.02 2 311 396 33 VAL HG2 H 0.88 0.02 2 312 396 33 VAL C C 177.52 0.30 1 313 396 33 VAL CA C 62.4 0.30 1 314 396 33 VAL CB C 32.45 0.30 1 315 396 33 VAL CG1 C 20.64 0.30 1 316 396 33 VAL CG2 C 20.64 0.30 1 317 396 33 VAL N N 109.71 0.30 1 318 397 34 ASP H H 7.26 0.02 1 319 397 34 ASP HA H 5 0.02 1 320 397 34 ASP HB2 H 2.44 0.02 2 321 397 34 ASP HB3 H 2.7 0.02 2 322 397 34 ASP CA C 52.1 0.30 1 323 397 34 ASP CB C 41.54 0.30 1 324 397 34 ASP N N 119.2 0.30 1 325 398 35 PRO C C 175.03 0.30 1 326 398 35 PRO CA C 63.3 0.30 1 327 398 35 PRO CB C 31.36 0.30 1 328 398 35 PRO CG C 26.37 0.30 1 329 398 35 PRO CD C 50.6 0.30 1 330 399 36 ASN H H 7.99 0.02 1 331 399 36 ASN HA H 4.65 0.02 1 332 399 36 ASN HB2 H 2.27 0.02 2 333 399 36 ASN HB3 H 2.63 0.02 2 334 399 36 ASN C C 174.14 0.30 1 335 399 36 ASN CA C 54.11 0.30 1 336 399 36 ASN CB C 40.76 0.30 1 337 399 36 ASN N N 118.24 0.30 1 338 400 37 SER H H 8.71 0.02 1 339 400 37 SER HA H 4.7 0.02 1 340 400 37 SER HB2 H 3.37 0.02 2 341 400 37 SER HB3 H 3.37 0.02 2 342 400 37 SER C C 172.78 0.30 1 343 400 37 SER CA C 56.48 0.30 1 344 400 37 SER CB C 65.72 0.30 1 345 400 37 SER N N 115.38 0.30 1 346 401 38 ILE H H 8.22 0.02 1 347 401 38 ILE HA H 5.11 0.02 1 348 401 38 ILE HB H 1.46 0.02 1 349 401 38 ILE HG12 H 1.02 0.02 9 350 401 38 ILE HG2 H 0.75 0.02 1 351 401 38 ILE C C 175.59 0.30 1 352 401 38 ILE CA C 60.77 0.30 1 353 401 38 ILE CB C 40.68 0.30 1 354 401 38 ILE CG1 C 26.74 0.30 1 355 401 38 ILE CG2 C 16.86 0.30 1 356 401 38 ILE CD1 C 13.22 0.30 1 357 401 38 ILE N N 120.82 0.30 1 358 402 39 VAL H H 9.06 0.02 1 359 402 39 VAL HA H 4.98 0.02 1 360 402 39 VAL HB H 1.43 0.02 1 361 402 39 VAL HG1 H 0.97 0.02 2 362 402 39 VAL HG2 H 0.97 0.02 2 363 402 39 VAL C C 174.34 0.30 1 364 402 39 VAL CA C 59.96 0.30 1 365 402 39 VAL CB C 36.21 0.30 1 366 402 39 VAL CG1 C 22.93 0.30 1 367 402 39 VAL CG2 C 22.93 0.30 1 368 402 39 VAL N N 128.35 0.30 1 369 403 40 GLU H H 9.11 0.02 1 370 403 40 GLU HA H 4.98 0.02 1 371 403 40 GLU HB2 H 1.74 0.02 2 372 403 40 GLU HB3 H 1.74 0.02 2 373 403 40 GLU HG2 H 2.17 0.02 2 374 403 40 GLU HG3 H 2.39 0.02 2 375 403 40 GLU C C 174.83 0.30 1 376 403 40 GLU CA C 53.82 0.30 1 377 403 40 GLU CB C 33.2 0.30 1 378 403 40 GLU CG C 36.32 0.30 1 379 403 40 GLU N N 123.28 0.30 1 380 404 41 CYS H H 8.9 0.02 1 381 404 41 CYS HA H 4.08 0.02 1 382 404 41 CYS HB2 H 2.31 0.02 2 383 404 41 CYS HB3 H 2.31 0.02 2 384 404 41 CYS C C 173.37 0.30 1 385 404 41 CYS CA C 57.97 0.30 1 386 404 41 CYS CB C 26.89 0.30 1 387 404 41 CYS N N 123.78 0.30 1 388 405 42 ARG H H 8.84 0.02 1 389 405 42 ARG HA H 5.4 0.02 1 390 405 42 ARG HB2 H 0.54 0.02 2 391 405 42 ARG HB3 H 1.51 0.02 2 392 405 42 ARG HD2 H 2.99 0.02 2 393 405 42 ARG HD3 H 2.99 0.02 2 394 405 42 ARG C C 174.83 0.30 1 395 405 42 ARG CA C 54.36 0.30 1 396 405 42 ARG CB C 35.44 0.30 1 397 405 42 ARG CG C 27.82 0.30 1 398 405 42 ARG CD C 44.32 0.30 1 399 405 42 ARG N N 128.1 0.30 1 400 406 43 VAL H H 7.68 0.02 1 401 406 43 VAL HA H 4.77 0.02 1 402 406 43 VAL HB H 2.17 0.02 1 403 406 43 VAL HG1 H 0.52 0.02 2 404 406 43 VAL HG2 H 0.81 0.02 2 405 406 43 VAL C C 179.04 0.30 1 406 406 43 VAL CA C 59.89 0.30 1 407 406 43 VAL CB C 33.38 0.30 1 408 406 43 VAL CG1 C 23.19 0.30 1 409 406 43 VAL CG2 C 19.92 0.30 1 410 406 43 VAL N N 109.23 0.30 1 411 407 44 GLY H H 8.44 0.02 1 412 407 44 GLY HA2 H 3.78 0.02 2 413 407 44 GLY HA3 H 3.98 0.02 2 414 407 44 GLY C C 174.57 0.30 1 415 407 44 GLY CA C 48.02 0.30 1 416 407 44 GLY N N 108.33 0.30 1 417 408 45 ASP H H 7.92 0.02 1 418 408 45 ASP HA H 4.57 0.02 1 419 408 45 ASP HB2 H 2.64 0.02 2 420 408 45 ASP HB3 H 3.07 0.02 2 421 408 45 ASP C C 176.99 0.30 1 422 408 45 ASP CA C 54.14 0.30 1 423 408 45 ASP CB C 39.68 0.30 1 424 408 45 ASP N N 118.58 0.30 1 425 409 46 GLY H H 8.37 0.02 1 426 409 46 GLY HA2 H 3.57 0.02 2 427 409 46 GLY HA3 H 4.37 0.02 2 428 409 46 GLY C C 174.07 0.30 1 429 409 46 GLY CA C 44.93 0.30 1 430 409 46 GLY N N 108.24 0.30 1 431 410 47 THR H H 8.09 0.02 1 432 410 47 THR HA H 3.99 0.02 1 433 410 47 THR HB H 3.81 0.02 1 434 410 47 THR HG2 H 1.12 0.02 1 435 410 47 THR C C 173.11 0.30 1 436 410 47 THR CA C 65.63 0.30 1 437 410 47 THR CB C 68.42 0.30 1 438 410 47 THR CG2 C 21.46 0.30 1 439 410 47 THR N N 119.57 0.30 1 440 411 48 VAL H H 8.46 0.02 1 441 411 48 VAL HA H 4.02 0.02 1 442 411 48 VAL HB H 1.93 0.02 1 443 411 48 VAL HG1 H 0.87 0.02 2 444 411 48 VAL HG2 H 0.72 0.02 2 445 411 48 VAL C C 176.39 0.30 1 446 411 48 VAL CA C 62.69 0.30 1 447 411 48 VAL CB C 32.23 0.30 1 448 411 48 VAL CG1 C 21.71 0.30 1 449 411 48 VAL CG2 C 21.71 0.30 1 450 411 48 VAL N N 127.04 0.30 1 451 412 49 LEU H H 9.26 0.02 1 452 412 49 LEU HA H 4.35 0.02 1 453 412 49 LEU HB2 H 1.43 0.02 2 454 412 49 LEU HB3 H 1.43 0.02 2 455 412 49 LEU HD1 H 0.58 0.02 2 456 412 49 LEU HD2 H 0.53 0.02 2 457 412 49 LEU C C 177.35 0.30 1 458 412 49 LEU CA C 55.62 0.30 1 459 412 49 LEU CB C 43.14 0.30 1 460 412 49 LEU CG C 27.56 0.30 1 461 412 49 LEU CD1 C 22.16 0.30 1 462 412 49 LEU CD2 C 25.64 0.30 1 463 412 49 LEU N N 128.38 0.30 1 464 413 50 GLY H H 7.25 0.02 1 465 413 50 GLY HA2 H 3.94 0.02 2 466 413 50 GLY HA3 H 4.23 0.02 2 467 413 50 GLY C C 170.79 0.30 1 468 413 50 GLY CA C 45.24 0.30 1 469 413 50 GLY N N 102.38 0.30 1 470 414 51 THR H H 8.61 0.02 1 471 414 51 THR HA H 5.08 0.02 1 472 414 51 THR HB H 3.75 0.02 1 473 414 51 THR HG2 H 1.08 0.02 1 474 414 51 THR C C 173.08 0.30 1 475 414 51 THR CA C 62.77 0.30 1 476 414 51 THR CB C 70.65 0.30 1 477 414 51 THR CG2 C 21.78 0.30 1 478 414 51 THR N N 118.69 0.30 1 479 415 52 GLY H H 9.51 0.02 1 480 415 52 GLY HA2 H 4.1 0.02 2 481 415 52 GLY HA3 H 4.59 0.02 2 482 415 52 GLY C C 170.69 0.30 1 483 415 52 GLY CA C 44.02 0.30 1 484 415 52 GLY N N 115.55 0.30 1 485 416 53 VAL H H 8 0.02 1 486 416 53 VAL HA H 5.31 0.02 1 487 416 53 VAL HB H 1.92 0.02 1 488 416 53 VAL HG1 H 0.86 0.02 2 489 416 53 VAL HG2 H 0.86 0.02 2 490 416 53 VAL C C 176.26 0.30 1 491 416 53 VAL CA C 59.76 0.30 1 492 416 53 VAL CB C 34.9 0.30 1 493 416 53 VAL CG1 C 20.88 0.30 1 494 416 53 VAL CG2 C 20.88 0.30 1 495 416 53 VAL N N 119.95 0.30 1 496 417 54 GLY H H 8.34 0.02 1 497 417 54 GLY HA2 H 3.77 0.02 2 498 417 54 GLY HA3 H 4.37 0.02 2 499 417 54 GLY C C 172.91 0.30 1 500 417 54 GLY CA C 45.54 0.30 1 501 417 54 GLY N N 109.19 0.30 1 502 418 55 ARG H H 8.8 0.02 1 503 418 55 ARG HA H 4.37 0.02 1 504 418 55 ARG HB2 H 1.87 0.02 2 505 418 55 ARG HB3 H 1.87 0.02 2 506 418 55 ARG HG2 H 1.65 0.02 2 507 418 55 ARG HG3 H 1.65 0.02 2 508 418 55 ARG HD2 H 3.22 0.02 2 509 418 55 ARG HD3 H 3.22 0.02 2 510 418 55 ARG C C 175 0.30 1 511 418 55 ARG CA C 57.99 0.30 1 512 418 55 ARG CB C 30.01 0.30 1 513 418 55 ARG CG C 27.73 0.30 1 514 418 55 ARG CD C 43.29 0.30 1 515 418 55 ARG N N 118.58 0.30 1 516 419 56 ASN H H 7.32 0.02 1 517 419 56 ASN HA H 4.66 0.02 1 518 419 56 ASN HB2 H 2.92 0.02 2 519 419 56 ASN HB3 H 3.18 0.02 2 520 419 56 ASN C C 174.77 0.30 1 521 419 56 ASN CA C 51.78 0.30 1 522 419 56 ASN CB C 40.89 0.30 1 523 419 56 ASN N N 110.79 0.30 1 524 420 57 ILE H H 8.4 0.02 1 525 420 57 ILE HA H 3.68 0.02 1 526 420 57 ILE HB H 1.76 0.02 1 527 420 57 ILE HG12 H 1.55 0.02 1 528 420 57 ILE HG13 H 1.55 0.02 9 529 420 57 ILE HG2 H 0.89 0.02 1 530 420 57 ILE HD1 H 1.2 0.02 1 531 420 57 ILE C C 178.11 0.30 1 532 420 57 ILE CA C 64.52 0.30 1 533 420 57 ILE CB C 38.37 0.30 1 534 420 57 ILE CG1 C 27.74 0.30 1 535 420 57 ILE CG2 C 17.65 0.30 1 536 420 57 ILE CD1 C 13.75 0.30 1 537 420 57 ILE N N 118.08 0.30 1 538 421 58 LYS H H 8.09 0.02 1 539 421 58 LYS HA H 3.96 0.02 1 540 421 58 LYS HB2 H 1.8 0.02 2 541 421 58 LYS HB3 H 1.8 0.02 2 542 421 58 LYS HG2 H 1.2 0.02 2 543 421 58 LYS HG3 H 1.43 0.02 2 544 421 58 LYS HD2 H 1.59 0.02 2 545 421 58 LYS HD3 H 1.59 0.02 2 546 421 58 LYS HE2 H 2.91 0.02 2 547 421 58 LYS HE3 H 2.91 0.02 2 548 421 58 LYS C C 179.24 0.30 1 549 421 58 LYS CA C 59.78 0.30 1 550 421 58 LYS CB C 31.53 0.30 1 551 421 58 LYS CG C 24.74 0.30 1 552 421 58 LYS CD C 28.61 0.30 1 553 421 58 LYS CE C 41.67 0.30 1 554 421 58 LYS N N 124.6 0.30 1 555 422 59 ILE H H 8.47 0.02 1 556 422 59 ILE HA H 3.73 0.02 1 557 422 59 ILE HB H 1.63 0.02 1 558 422 59 ILE HG12 H 1.24 0.02 1 559 422 59 ILE HG13 H 1.24 0.02 9 560 422 59 ILE HG2 H 0.99 0.02 1 561 422 59 ILE HD1 H 0.86 0.02 1 562 422 59 ILE C C 175.56 0.30 1 563 422 59 ILE CA C 63.35 0.30 1 564 422 59 ILE CB C 38.01 0.30 1 565 422 59 ILE CG1 C 29.2 0.30 1 566 422 59 ILE CG2 C 17.96 0.30 1 567 422 59 ILE CD1 C 13.21 0.30 1 568 422 59 ILE N N 119.33 0.30 1 569 423 60 ALA H H 8.03 0.02 1 570 423 60 ALA HA H 3.6 0.02 1 571 423 60 ALA HB H 1.21 0.02 1 572 423 60 ALA C C 179.34 0.30 1 573 423 60 ALA CA C 55.94 0.30 1 574 423 60 ALA CB C 18.21 0.30 1 575 423 60 ALA N N 121.95 0.30 1 576 424 61 GLY H H 8 0.02 1 577 424 61 GLY HA2 H 3.61 0.02 2 578 424 61 GLY HA3 H 3.82 0.02 2 579 424 61 GLY C C 175.06 0.30 1 580 424 61 GLY CA C 47.32 0.30 1 581 424 61 GLY N N 104.13 0.30 1 582 425 62 ILE H H 7.6 0.02 1 583 425 62 ILE HA H 3.52 0.02 1 584 425 62 ILE HB H 2 0.02 1 585 425 62 ILE HG12 H 1.08 0.02 9 586 425 62 ILE HG13 H 1.72 0.02 9 587 425 62 ILE HG2 H 0.94 0.02 1 588 425 62 ILE HD1 H 0.86 0.02 1 589 425 62 ILE C C 178.34 0.30 1 590 425 62 ILE CA C 65.45 0.30 1 591 425 62 ILE CB C 37.46 0.30 1 592 425 62 ILE CG1 C 29.24 0.30 1 593 425 62 ILE CG2 C 18.5 0.30 1 594 425 62 ILE CD1 C 13.8 0.30 1 595 425 62 ILE N N 122.45 0.30 1 596 426 63 ARG H H 8.3 0.02 1 597 426 63 ARG HA H 4.1 0.02 1 598 426 63 ARG HB2 H 1.99 0.02 2 599 426 63 ARG HB3 H 1.99 0.02 2 600 426 63 ARG HD2 H 3.17 0.02 2 601 426 63 ARG HD3 H 3.17 0.02 2 602 426 63 ARG C C 178.54 0.30 1 603 426 63 ARG CA C 59.48 0.30 1 604 426 63 ARG CB C 29.49 0.30 1 605 426 63 ARG CG C 27.71 0.30 1 606 426 63 ARG CD C 43.96 0.30 1 607 426 63 ARG N N 118.17 0.30 1 608 427 64 ALA H H 8.24 0.02 1 609 427 64 ALA HA H 3.72 0.02 1 610 427 64 ALA HB H 1.54 0.02 1 611 427 64 ALA C C 179.14 0.30 1 612 427 64 ALA CA C 55.92 0.30 1 613 427 64 ALA CB C 18.22 0.30 1 614 427 64 ALA N N 124.33 0.30 1 615 428 65 ALA H H 7.72 0.02 1 616 428 65 ALA HA H 4.13 0.02 1 617 428 65 ALA HB H 1.56 0.02 1 618 428 65 ALA C C 179.37 0.30 1 619 428 65 ALA CA C 55.02 0.30 1 620 428 65 ALA CB C 17.63 0.30 1 621 428 65 ALA N N 120.24 0.30 1 622 429 66 GLU H H 8.73 0.02 1 623 429 66 GLU HA H 3.8 0.02 1 624 429 66 GLU HB2 H 1.92 0.02 2 625 429 66 GLU HB3 H 2.25 0.02 2 626 429 66 GLU HG2 H 2.51 0.02 2 627 429 66 GLU HG3 H 2.51 0.02 2 628 429 66 GLU C C 179.57 0.30 1 629 429 66 GLU CA C 59.79 0.30 1 630 429 66 GLU CB C 29.95 0.30 1 631 429 66 GLU CG C 36.93 0.30 1 632 429 66 GLU N N 117.58 0.30 1 633 430 67 ASN H H 8.26 0.02 1 634 430 67 ASN HA H 4.53 0.02 1 635 430 67 ASN HB2 H 2.93 0.02 2 636 430 67 ASN HB3 H 2.93 0.02 2 637 430 67 ASN C C 178.71 0.30 1 638 430 67 ASN CA C 56.22 0.30 1 639 430 67 ASN CB C 38.69 0.30 1 640 430 67 ASN N N 117.24 0.30 1 641 431 68 ALA H H 8.16 0.02 1 642 431 68 ALA HA H 4.2 0.02 1 643 431 68 ALA HB H 1.33 0.02 1 644 431 68 ALA C C 178.97 0.30 1 645 431 68 ALA CA C 55.36 0.30 1 646 431 68 ALA CB C 19.41 0.30 1 647 431 68 ALA N N 126.17 0.30 1 648 432 69 LEU H H 7.98 0.02 1 649 432 69 LEU HA H 3.96 0.02 1 650 432 69 LEU HB2 H 1.42 0.02 2 651 432 69 LEU HB3 H 1.99 0.02 2 652 432 69 LEU HD1 H 0.9 0.02 2 653 432 69 LEU HD2 H 0.78 0.02 2 654 432 69 LEU C C 177.48 0.30 1 655 432 69 LEU CA C 56.77 0.30 1 656 432 69 LEU CB C 42.26 0.30 1 657 432 69 LEU CG C 27.09 0.30 1 658 432 69 LEU CD1 C 25.63 0.30 1 659 432 69 LEU CD2 C 24.14 0.30 1 660 432 69 LEU N N 114.31 0.30 1 661 433 70 ARG H H 7.25 0.02 1 662 433 70 ARG HA H 4.19 0.02 1 663 433 70 ARG HB2 H 1.96 0.02 2 664 433 70 ARG HB3 H 1.96 0.02 2 665 433 70 ARG HG2 H 1.73 0.02 2 666 433 70 ARG HG3 H 1.73 0.02 2 667 433 70 ARG HD2 H 3.26 0.02 2 668 433 70 ARG HD3 H 3.26 0.02 2 669 433 70 ARG C C 176.65 0.30 1 670 433 70 ARG CA C 56.97 0.30 1 671 433 70 ARG CB C 30.88 0.30 1 672 433 70 ARG CG C 27.17 0.30 1 673 433 70 ARG CD C 43.62 0.30 1 674 433 70 ARG N N 115 0.30 1 675 434 71 ASP H H 7.7 0.02 1 676 434 71 ASP HA H 4.79 0.02 1 677 434 71 ASP HB2 H 2.52 0.02 2 678 434 71 ASP HB3 H 3.46 0.02 2 679 434 71 ASP C C 175.06 0.30 1 680 434 71 ASP CA C 52.35 0.30 1 681 434 71 ASP CB C 39.59 0.30 1 682 434 71 ASP N N 120.66 0.30 1 683 435 72 LYS H H 7.84 0.02 1 684 435 72 LYS HA H 3.89 0.02 1 685 435 72 LYS HB2 H 1.9 0.02 2 686 435 72 LYS HB3 H 1.9 0.02 2 687 435 72 LYS HG2 H 1.52 0.02 2 688 435 72 LYS HG3 H 1.52 0.02 2 689 435 72 LYS HE2 H 3.04 0.02 2 690 435 72 LYS HE3 H 3.04 0.02 2 691 435 72 LYS C C 178.51 0.30 1 692 435 72 LYS CA C 59.48 0.30 1 693 435 72 LYS CB C 32.43 0.30 1 694 435 72 LYS CG C 25.42 0.30 1 695 435 72 LYS CD C 29.23 0.30 1 696 435 72 LYS CE C 42.56 0.30 1 697 435 72 LYS N N 122.98 0.30 1 698 436 73 LYS H H 8.18 0.02 1 699 436 73 LYS HA H 4.14 0.02 1 700 436 73 LYS HB2 H 1.9 0.02 2 701 436 73 LYS HB3 H 1.9 0.02 2 702 436 73 LYS C C 179.54 0.30 1 703 436 73 LYS CA C 59.23 0.30 1 704 436 73 LYS CB C 32.18 0.30 1 705 436 73 LYS CG C 25.23 0.30 1 706 436 73 LYS CD C 29.46 0.30 1 707 436 73 LYS CE C 42.53 0.30 1 708 436 73 LYS N N 118.4 0.30 1 709 437 74 MET H H 7.56 0.02 1 710 437 74 MET HA H 4.28 0.02 1 711 437 74 MET HB2 H 2.15 0.02 2 712 437 74 MET HB3 H 2.26 0.02 2 713 437 74 MET C C 178.41 0.30 1 714 437 74 MET CA C 58.08 0.30 1 715 437 74 MET CB C 31.59 0.30 1 716 437 74 MET N N 121.87 0.30 1 717 438 75 LEU H H 8.23 0.02 1 718 438 75 LEU HA H 4.06 0.02 1 719 438 75 LEU HB2 H 1.99 0.02 2 720 438 75 LEU HB3 H 1.99 0.02 2 721 438 75 LEU HD1 H 0.9 0.02 2 722 438 75 LEU HD2 H 0.78 0.02 2 723 438 75 LEU C C 179.67 0.30 1 724 438 75 LEU CA C 58.22 0.30 1 725 438 75 LEU CB C 41.91 0.30 1 726 438 75 LEU CG C 25.91 0.30 1 727 438 75 LEU CD1 C 25.05 0.30 1 728 438 75 LEU N N 119.12 0.30 1 729 439 76 ASP H H 8.17 0.02 1 730 439 76 ASP HA H 4.36 0.02 1 731 439 76 ASP HB2 H 2.64 0.02 2 732 439 76 ASP HB3 H 2.8 0.02 2 733 439 76 ASP C C 178.11 0.30 1 734 439 76 ASP CA C 57.43 0.30 1 735 439 76 ASP CB C 41.39 0.30 1 736 439 76 ASP N N 118.07 0.30 1 737 440 77 PHE H H 7.71 0.02 1 738 440 77 PHE HA H 4.06 0.02 1 739 440 77 PHE HB2 H 3.14 0.02 2 740 440 77 PHE HB3 H 3.14 0.02 2 741 440 77 PHE HE1 H 6.45 0.02 3 742 440 77 PHE HE2 H 6.45 0.02 3 743 440 77 PHE C C 178.61 0.30 1 744 440 77 PHE CA C 61.84 0.30 1 745 440 77 PHE CB C 38.68 0.30 1 746 440 77 PHE N N 119.7 0.30 1 747 441 78 TYR H H 8.29 0.02 1 748 441 78 TYR HA H 4.08 0.02 1 749 441 78 TYR HB2 H 2.84 0.02 2 750 441 78 TYR HB3 H 3.3 0.02 2 751 441 78 TYR HD1 H 7.36 0.02 3 752 441 78 TYR HD2 H 7.36 0.02 3 753 441 78 TYR HE1 H 6.86 0.02 3 754 441 78 TYR HE2 H 6.86 0.02 3 755 441 78 TYR C C 178.51 0.30 1 756 441 78 TYR CA C 63.31 0.30 1 757 441 78 TYR CB C 38.2 0.30 1 758 441 78 TYR N N 117.67 0.30 1 759 442 79 ALA H H 9.03 0.02 1 760 442 79 ALA HA H 4.18 0.02 1 761 442 79 ALA HB H 1.56 0.02 1 762 442 79 ALA C C 181.13 0.30 1 763 442 79 ALA CA C 55.93 0.30 1 764 442 79 ALA CB C 18.22 0.30 1 765 442 79 ALA N N 124.83 0.30 1 766 443 80 LYS H H 7.83 0.02 1 767 443 80 LYS HA H 3.96 0.02 1 768 443 80 LYS HB2 H 1.77 0.02 2 769 443 80 LYS HB3 H 1.77 0.02 2 770 443 80 LYS HG2 H 1.55 0.02 2 771 443 80 LYS HG3 H 1.55 0.02 2 772 443 80 LYS HD2 H 1.32 0.02 2 773 443 80 LYS HD3 H 1.32 0.02 2 774 443 80 LYS HE2 H 2.91 0.02 2 775 443 80 LYS HE3 H 2.91 0.02 2 776 443 80 LYS C C 179.04 0.30 1 777 443 80 LYS CA C 59.04 0.30 1 778 443 80 LYS CB C 32.37 0.30 1 779 443 80 LYS CG C 25.96 0.30 1 780 443 80 LYS CD C 29.78 0.30 1 781 443 80 LYS CE C 42.29 0.30 1 782 443 80 LYS N N 119.03 0.30 1 783 444 81 GLN H H 7.52 0.02 1 784 444 81 GLN HA H 3.97 0.02 1 785 444 81 GLN HB2 H 2.07 0.02 2 786 444 81 GLN HB3 H 2.07 0.02 2 787 444 81 GLN HG2 H 1.4 0.02 2 788 444 81 GLN HG3 H 1.4 0.02 2 789 444 81 GLN C C 178.21 0.30 1 790 444 81 GLN CA C 58.47 0.30 1 791 444 81 GLN CB C 28.91 0.30 1 792 444 81 GLN CG C 33.95 0.30 1 793 444 81 GLN N N 119.52 0.30 1 794 445 82 ARG H H 8.09 0.02 1 795 445 82 ARG HA H 3.99 0.02 1 796 445 82 ARG HB2 H 1.83 0.02 2 797 445 82 ARG HB3 H 1.83 0.02 2 798 445 82 ARG HD2 H 3.38 0.02 2 799 445 82 ARG HD3 H 3.38 0.02 2 800 445 82 ARG C C 177.58 0.30 1 801 445 82 ARG CA C 59.49 0.30 1 802 445 82 ARG CB C 29.77 0.30 1 803 445 82 ARG CG C 25.59 0.30 1 804 445 82 ARG CD C 42.3 0.30 1 805 445 82 ARG N N 119.4 0.30 1 806 446 83 ALA H H 7.51 0.02 1 807 446 83 ALA HA H 4.1 0.02 1 808 446 83 ALA HB H 1.4 0.02 1 809 446 83 ALA C C 175.46 0.30 1 810 446 83 ALA CA C 53.52 0.30 1 811 446 83 ALA CB C 18.5 0.30 1 812 446 83 ALA N N 119.78 0.30 1 813 447 84 ALA H H 7.31 0.02 1 814 447 84 ALA HA H 4.23 0.02 1 815 447 84 ALA HB H 1.34 0.02 1 816 447 84 ALA C C 177.42 0.30 1 817 447 84 ALA CA C 52.27 0.30 1 818 447 84 ALA CB C 19.09 0.30 1 819 447 84 ALA N N 119.62 0.30 1 820 448 85 ILE H H 7.3 0.02 1 821 448 85 ILE HA H 4.24 0.02 1 822 448 85 ILE HB H 1.74 0.02 1 823 448 85 ILE HG12 H 1.08 0.02 9 824 448 85 ILE HG13 H 1.32 0.02 9 825 448 85 ILE HG2 H 0.84 0.02 1 826 448 85 ILE HD1 H 0.59 0.02 1 827 448 85 ILE CA C 58.96 0.30 1 828 448 85 ILE CB C 38.01 0.30 1 829 448 85 ILE CG2 C 16.13 0.30 1 830 448 85 ILE CD1 C 12.58 0.30 1 831 448 85 ILE N N 121.06 0.30 1 832 449 86 PRO C C 176.99 0.30 1 833 449 86 PRO CA C 63.1 0.30 1 834 449 86 PRO CB C 31.94 0.30 1 835 449 86 PRO CG C 26.84 0.30 1 836 449 86 PRO CD C 50.9 0.30 1 837 450 87 ARG H H 8.4 0.02 1 838 450 87 ARG HA H 4.36 0.02 1 839 450 87 ARG HB2 H 1.78 0.02 2 840 450 87 ARG HB3 H 1.87 0.02 2 841 450 87 ARG HG2 H 1.64 0.02 2 842 450 87 ARG HG3 H 1.64 0.02 2 843 450 87 ARG C C 176.56 0.30 1 844 450 87 ARG CA C 56.22 0.30 1 845 450 87 ARG CB C 30.86 0.30 1 846 450 87 ARG CG C 27.4 0.30 1 847 450 87 ARG CD C 43.46 0.30 1 848 450 87 ARG N N 121.79 0.30 1 849 451 88 SER H H 8.33 0.02 1 850 451 88 SER HA H 4.57 0.02 1 851 451 88 SER HB2 H 3.86 0.02 2 852 451 88 SER HB3 H 3.86 0.02 2 853 451 88 SER C C 174.47 0.30 1 854 451 88 SER CA C 58.49 0.30 1 855 451 88 SER CB C 63.81 0.30 1 856 451 88 SER N N 116.62 0.30 1 857 452 89 GLU H H 8.39 0.02 1 858 452 89 GLU HA H 4.4 0.02 1 859 452 89 GLU HB2 H 1.9 0.02 2 860 452 89 GLU HB3 H 2.19 0.02 2 861 452 89 GLU C C 175.56 0.30 1 862 452 89 GLU CA C 56.59 0.30 1 863 452 89 GLU CB C 30.34 0.30 1 864 452 89 GLU CG C 36.03 0.30 1 865 452 89 GLU N N 123.06 0.30 1 866 453 90 SER H H 7.91 0.02 1 867 453 90 SER HA H 4.26 0.02 1 868 453 90 SER HB2 H 3.83 0.02 2 869 453 90 SER HB3 H 3.83 0.02 2 870 453 90 SER CA C 60.07 0.30 1 871 453 90 SER CB C 64.71 0.30 1 872 453 90 SER N N 121.75 0.30 1 stop_ save_