data_19688 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the yeast Pih1 and Tah1 C-terminal domains complex ; _BMRB_accession_number 19688 _BMRB_flat_file_name bmr19688.str _Entry_type original _Submission_date 2013-12-17 _Accession_date 2013-12-17 _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 Clemence Jacquemin . . 2 Charpentier Bruno . . 3 Manival Xavier . . 4 Quinternet Marc . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 673 "13C chemical shifts" 490 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 original author . stop_ _Original_release_date 2014-02-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C resonance assignments of the yeast Pih1 and Tah1 C-terminal domains complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24493341 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Manival Xavier . . 2 Jacquemin Clemence . . 3 Charpentier Bruno . . 4 Quinternet Marc . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword Chaperone HSP90 R2TP 'RNA processing' snoRNP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Tah1Pih1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tah1, (93-111)' $Tah1(93-111) 'Pih1, (257-344)' $Pih1(257-344) 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_Tah1(93-111) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tah1(93-111) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; GPHMSVQIPVVEVDELPEGY DRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 HIS 4 4 MET 5 5 SER 6 6 VAL 7 7 GLN 8 8 ILE 9 9 PRO 10 10 VAL 11 11 VAL 12 12 GLU 13 13 VAL 14 14 ASP 15 15 GLU 16 16 LEU 17 17 PRO 18 18 GLU 19 19 GLY 20 20 TYR 21 21 ASP 22 22 ARG 23 23 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 17312 Tah1 82.61 111 100.00 100.00 2.89e-03 BMRB 18445 entity 82.61 110 100.00 100.00 3.51e-03 BMRB 18447 entity_1 82.61 110 100.00 100.00 3.51e-03 PDB 2L6J "Tah1 Complexed By Meevd" 82.61 111 100.00 100.00 2.89e-03 PDB 2LSU "The Nmr High Resolution Structure Of Yeast Tah1 In A Free Form" 82.61 110 100.00 100.00 3.51e-03 PDB 2LSV "The Nmr High Resolution Structure Of Yeast Tah1 In Complex With The Hsp90 C-terminal Tail" 82.61 110 100.00 100.00 3.51e-03 PDB 2MNJ "Nmr Solution Structure Of The Yeast Pih1 And Tah1 C-terminal Domains Complex" 100.00 23 100.00 100.00 2.62e-06 PDB 4CGQ "Full Length Tah1 Bound To Hsp90 Peptide Srmeevd" 82.61 111 100.00 100.00 3.59e-03 PDB 4CGU "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd" 82.61 112 100.00 100.00 3.14e-03 DBJ GAA21965 "K7_Tah1p [Saccharomyces cerevisiae Kyokai no. 7]" 82.61 111 100.00 100.00 2.52e-03 EMBL CAA42288 "hypothetical protein [Saccharomyces cerevisiae]" 82.61 111 100.00 100.00 2.89e-03 EMBL CAY78265 "Tah1p [Saccharomyces cerevisiae EC1118]" 82.61 111 100.00 100.00 2.89e-03 GB AAS56477 "YCR060W [Saccharomyces cerevisiae]" 82.61 111 100.00 100.00 2.89e-03 GB AHN96120 "TAH1 [synthetic construct]" 82.61 111 100.00 100.00 2.89e-03 GB AHV79323 "TAH1 [synthetic construct]" 82.61 111 100.00 100.00 2.89e-03 GB AHY79733 "Tah1p [Saccharomyces cerevisiae YJM993]" 82.61 111 100.00 100.00 2.89e-03 GB AJP37484 "Tah1p [Saccharomyces cerevisiae YJM1078]" 82.61 111 100.00 100.00 2.89e-03 REF NP_009986 "Tah1p [Saccharomyces cerevisiae S288c]" 82.61 111 100.00 100.00 2.89e-03 SP P25638 "RecName: Full=TPR repeat-containing protein associated with Hsp90" 82.61 111 100.00 100.00 2.89e-03 TPG DAA07534 "TPA: Tah1p [Saccharomyces cerevisiae S288c]" 82.61 111 100.00 100.00 2.89e-03 stop_ save_ save_Pih1(257-344) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pih1(257-344) _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 88 _Mol_residue_sequence ; PHEQQEDVPEYEVKMKRFKG AAYKLRILIENKAPNSKPDR FSPSYNFAENILYINGKLSI PLPRDIVVNAADIKIFHIRK ERTLYIYI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 25 PRO 2 26 HIS 3 27 GLU 4 28 GLN 5 29 GLN 6 30 GLU 7 31 ASP 8 32 VAL 9 33 PRO 10 34 GLU 11 35 TYR 12 36 GLU 13 37 VAL 14 38 LYS 15 39 MET 16 40 LYS 17 41 ARG 18 42 PHE 19 43 LYS 20 44 GLY 21 45 ALA 22 46 ALA 23 47 TYR 24 48 LYS 25 49 LEU 26 50 ARG 27 51 ILE 28 52 LEU 29 53 ILE 30 54 GLU 31 55 ASN 32 56 LYS 33 57 ALA 34 58 PRO 35 59 ASN 36 60 SER 37 61 LYS 38 62 PRO 39 63 ASP 40 64 ARG 41 65 PHE 42 66 SER 43 67 PRO 44 68 SER 45 69 TYR 46 70 ASN 47 71 PHE 48 72 ALA 49 73 GLU 50 74 ASN 51 75 ILE 52 76 LEU 53 77 TYR 54 78 ILE 55 79 ASN 56 80 GLY 57 81 LYS 58 82 LEU 59 83 SER 60 84 ILE 61 85 PRO 62 86 LEU 63 87 PRO 64 88 ARG 65 89 ASP 66 90 ILE 67 91 VAL 68 92 VAL 69 93 ASN 70 94 ALA 71 95 ALA 72 96 ASP 73 97 ILE 74 98 LYS 75 99 ILE 76 100 PHE 77 101 HIS 78 102 ILE 79 103 ARG 80 104 LYS 81 105 GLU 82 106 ARG 83 107 THR 84 108 LEU 85 109 TYR 86 110 ILE 87 111 TYR 88 112 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 4CGU "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd" 100.00 158 98.86 98.86 1.92e-53 DBJ GAA23749 "K7_Pih1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 344 98.86 100.00 2.49e-52 EMBL CAY80321 "Pih1p [Saccharomyces cerevisiae EC1118]" 100.00 346 97.73 100.00 4.85e-52 GB AAB68914 "Yhr034cp [Saccharomyces cerevisiae]" 100.00 344 100.00 100.00 5.81e-53 GB AHY77731 "Pih1p [Saccharomyces cerevisiae YJM993]" 100.00 346 98.86 100.00 1.89e-52 GB EDN62271 "protein interacting with hsp90 [Saccharomyces cerevisiae YJM789]" 100.00 352 100.00 100.00 5.79e-53 GB EDV09085 "protein interacting with Hsp90 1 [Saccharomyces cerevisiae RM11-1a]" 100.00 346 97.73 98.86 2.16e-51 GB EEU05764 "Pih1p [Saccharomyces cerevisiae JAY291]" 100.00 346 97.73 100.00 4.85e-52 REF NP_011899 "Pih1p [Saccharomyces cerevisiae S288c]" 100.00 344 100.00 100.00 5.81e-53 SP P38768 "RecName: Full=Protein interacting with Hsp90 1; AltName: Full=Nucleolar protein 17 [Saccharomyces cerevisiae S288c]" 100.00 344 100.00 100.00 5.81e-53 TPG DAA06725 "TPA: Pih1p [Saccharomyces cerevisiae S288c]" 100.00 344 100.00 100.00 5.81e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tah1(93-111) 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae $Pih1(257-344) 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Tah1(93-111) 'recombinant technology' . Escherichia coli . pnEA-3CH $Pih1(257-344) 'recombinant technology' . Escherichia coli . pnCS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tah1(93-111) 1.5 mM '[U-100% 13C; U-100% 15N]' $Pih1(257-344) 1.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.4 . 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 cylindrical 'separate tube (no insert) not similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) not similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect cylindrical 'separate tube (no insert) not similar to the experimental sample tube' . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D H(CCO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Tah1, (93-111)' _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 4 4 MET HA H 4.543 0.020 1 2 4 4 MET HB2 H 1.971 0.020 1 3 4 4 MET HB3 H 2.051 0.020 1 4 4 4 MET HG2 H 2.444 0.020 1 5 4 4 MET HG3 H 2.541 0.020 1 6 4 4 MET HE H 2.069 0.020 1 7 4 4 MET C C 175.334 0.300 1 8 4 4 MET CA C 55.625 0.300 1 9 4 4 MET CB C 32.654 0.300 1 10 4 4 MET CG C 32.044 0.300 1 11 4 4 MET CE C 17.035 0.300 1 12 5 5 SER H H 8.111 0.020 1 13 5 5 SER HA H 5.176 0.020 1 14 5 5 SER HB2 H 3.623 0.020 2 15 5 5 SER HB3 H 3.623 0.020 2 16 5 5 SER C C 173.450 0.300 1 17 5 5 SER CA C 57.544 0.300 1 18 5 5 SER CB C 65.179 0.300 1 19 5 5 SER N N 115.552 0.300 1 20 6 6 VAL H H 8.506 0.020 1 21 6 6 VAL HA H 4.519 0.020 1 22 6 6 VAL HB H 2.155 0.020 1 23 6 6 VAL HG1 H 1.088 0.020 2 24 6 6 VAL HG2 H 1.150 0.020 2 25 6 6 VAL C C 175.008 0.300 1 26 6 6 VAL CA C 60.540 0.300 1 27 6 6 VAL CB C 34.654 0.300 1 28 6 6 VAL CG1 C 21.184 0.300 1 29 6 6 VAL CG2 C 20.721 0.300 1 30 6 6 VAL N N 120.601 0.300 1 31 7 7 GLN H H 8.747 0.020 1 32 7 7 GLN HA H 4.411 0.020 1 33 7 7 GLN HB2 H 2.038 0.020 2 34 7 7 GLN HB3 H 2.038 0.020 2 35 7 7 GLN HG2 H 2.342 0.020 1 36 7 7 GLN HG3 H 2.444 0.020 1 37 7 7 GLN HE21 H 6.773 0.020 1 38 7 7 GLN HE22 H 7.580 0.020 1 39 7 7 GLN C C 175.347 0.300 1 40 7 7 GLN CA C 56.519 0.300 1 41 7 7 GLN CB C 29.327 0.300 1 42 7 7 GLN CG C 34.352 0.300 1 43 7 7 GLN CD C 180.197 0.300 1 44 7 7 GLN N N 125.947 0.300 1 45 7 7 GLN NE2 N 112.205 0.300 1 46 8 8 ILE H H 7.932 0.020 1 47 8 8 ILE HA H 4.661 0.020 1 48 8 8 ILE HB H 1.574 0.020 1 49 8 8 ILE HG12 H 1.326 0.020 1 50 8 8 ILE HG13 H 1.326 0.020 1 51 8 8 ILE HG2 H 0.933 0.020 1 52 8 8 ILE HD1 H 0.765 0.020 1 53 8 8 ILE C C 173.743 0.300 1 54 8 8 ILE CA C 56.505 0.300 1 55 8 8 ILE CB C 40.312 0.300 1 56 8 8 ILE CG1 C 26.732 0.300 1 57 8 8 ILE CG2 C 17.538 0.300 1 58 8 8 ILE CD1 C 13.300 0.300 1 59 8 8 ILE N N 125.114 0.300 1 60 9 9 PRO HA H 4.397 0.020 1 61 9 9 PRO HB2 H 1.799 0.020 1 62 9 9 PRO HB3 H 2.200 0.020 1 63 9 9 PRO HG2 H 1.858 0.020 1 64 9 9 PRO HG3 H 1.944 0.020 1 65 9 9 PRO HD2 H 3.505 0.020 2 66 9 9 PRO HD3 H 3.505 0.020 2 67 9 9 PRO C C 175.498 0.300 1 68 9 9 PRO CA C 63.011 0.300 1 69 9 9 PRO CB C 32.197 0.300 1 70 9 9 PRO CG C 26.718 0.300 1 71 9 9 PRO CD C 49.278 0.300 1 72 10 10 VAL H H 8.312 0.020 1 73 10 10 VAL HA H 3.966 0.020 1 74 10 10 VAL HB H 2.067 0.020 1 75 10 10 VAL HG1 H 0.834 0.020 2 76 10 10 VAL HG2 H 0.882 0.020 2 77 10 10 VAL C C 175.874 0.300 1 78 10 10 VAL CA C 61.730 0.300 1 79 10 10 VAL CB C 33.335 0.300 1 80 10 10 VAL CG1 C 22.732 0.300 1 81 10 10 VAL CG2 C 22.117 0.300 1 82 10 10 VAL N N 120.668 0.300 1 83 11 11 VAL H H 8.530 0.020 1 84 11 11 VAL HA H 4.294 0.020 1 85 11 11 VAL HB H 2.155 0.020 1 86 11 11 VAL HG1 H 0.855 0.020 2 87 11 11 VAL HG2 H 1.061 0.020 2 88 11 11 VAL C C 175.757 0.300 1 89 11 11 VAL CA C 62.012 0.300 1 90 11 11 VAL CB C 32.509 0.300 1 91 11 11 VAL CG1 C 20.877 0.300 1 92 11 11 VAL CG2 C 21.199 0.300 1 93 11 11 VAL N N 130.290 0.300 1 94 12 12 GLU H H 8.982 0.020 1 95 12 12 GLU HA H 5.160 0.020 1 96 12 12 GLU HB2 H 2.115 0.020 2 97 12 12 GLU HB3 H 2.115 0.020 2 98 12 12 GLU HG2 H 2.303 0.020 1 99 12 12 GLU HG3 H 2.518 0.020 1 100 12 12 GLU C C 176.249 0.300 1 101 12 12 GLU CA C 56.291 0.300 1 102 12 12 GLU CB C 29.535 0.300 1 103 12 12 GLU CG C 36.182 0.300 1 104 12 12 GLU N N 129.880 0.300 1 105 13 13 VAL H H 8.387 0.020 1 106 13 13 VAL HA H 4.888 0.020 1 107 13 13 VAL HB H 2.380 0.020 1 108 13 13 VAL HG1 H 0.545 0.020 2 109 13 13 VAL HG2 H 1.041 0.020 2 110 13 13 VAL C C 174.890 0.300 1 111 13 13 VAL CA C 58.984 0.300 1 112 13 13 VAL CB C 36.383 0.300 1 113 13 13 VAL CG1 C 19.276 0.300 1 114 13 13 VAL CG2 C 23.710 0.300 1 115 13 13 VAL N N 116.792 0.300 1 116 14 14 ASP H H 8.724 0.020 1 117 14 14 ASP HA H 4.870 0.020 1 118 14 14 ASP HB2 H 2.558 0.020 1 119 14 14 ASP HB3 H 2.733 0.020 1 120 14 14 ASP C C 175.710 0.300 1 121 14 14 ASP CA C 55.465 0.300 1 122 14 14 ASP CB C 41.848 0.300 1 123 14 14 ASP N N 118.938 0.300 1 124 15 15 GLU H H 7.399 0.020 1 125 15 15 GLU HA H 4.329 0.020 1 126 15 15 GLU HB2 H 1.795 0.020 1 127 15 15 GLU HB3 H 1.883 0.020 1 128 15 15 GLU HG2 H 2.097 0.020 2 129 15 15 GLU HG3 H 2.097 0.020 2 130 15 15 GLU C C 174.200 0.300 1 131 15 15 GLU CA C 53.972 0.300 1 132 15 15 GLU CB C 32.440 0.300 1 133 15 15 GLU CG C 34.909 0.300 1 134 15 15 GLU N N 115.134 0.300 1 135 16 16 LEU H H 8.819 0.020 1 136 16 16 LEU HA H 3.696 0.020 1 137 16 16 LEU HB2 H 0.914 0.020 1 138 16 16 LEU HB3 H 1.369 0.020 1 139 16 16 LEU HG H 1.076 0.020 1 140 16 16 LEU HD1 H 0.065 0.020 2 141 16 16 LEU HD2 H 0.195 0.020 2 142 16 16 LEU C C 174.738 0.300 1 143 16 16 LEU CA C 53.166 0.300 1 144 16 16 LEU CB C 40.837 0.300 1 145 16 16 LEU CG C 26.447 0.300 1 146 16 16 LEU CD1 C 22.982 0.300 1 147 16 16 LEU CD2 C 25.572 0.300 1 148 16 16 LEU N N 124.013 0.300 1 149 17 17 PRO HA H 4.356 0.020 1 150 17 17 PRO HB2 H 1.991 0.020 1 151 17 17 PRO HB3 H 2.420 0.020 1 152 17 17 PRO HG2 H 2.033 0.020 2 153 17 17 PRO HG3 H 2.033 0.020 2 154 17 17 PRO HD2 H 3.372 0.020 1 155 17 17 PRO HD3 H 3.418 0.020 1 156 17 17 PRO C C 175.556 0.300 1 157 17 17 PRO CA C 62.451 0.300 1 158 17 17 PRO CB C 32.212 0.300 1 159 17 17 PRO CG C 26.399 0.300 1 160 17 17 PRO CD C 49.209 0.300 1 161 18 18 GLU H H 8.406 0.020 1 162 18 18 GLU HA H 3.946 0.020 1 163 18 18 GLU HB2 H 1.887 0.020 1 164 18 18 GLU HB3 H 1.960 0.020 1 165 18 18 GLU HG2 H 2.233 0.020 2 166 18 18 GLU HG3 H 2.233 0.020 2 167 18 18 GLU C C 176.893 0.300 1 168 18 18 GLU CA C 57.972 0.300 1 169 18 18 GLU CB C 29.604 0.300 1 170 18 18 GLU CG C 35.942 0.300 1 171 18 18 GLU N N 120.839 0.300 1 172 19 19 GLY H H 8.650 0.020 1 173 19 19 GLY HA2 H 3.469 0.020 1 174 19 19 GLY HA3 H 4.028 0.020 1 175 19 19 GLY C C 174.223 0.300 1 176 19 19 GLY CA C 44.348 0.300 1 177 19 19 GLY N N 110.774 0.300 1 178 20 20 TYR H H 7.169 0.020 1 179 20 20 TYR HA H 3.872 0.020 1 180 20 20 TYR HB2 H 2.128 0.020 1 181 20 20 TYR HB3 H 2.263 0.020 1 182 20 20 TYR HD1 H 5.641 0.020 1 183 20 20 TYR HD2 H 5.641 0.020 1 184 20 20 TYR HE1 H 6.457 0.020 1 185 20 20 TYR HE2 H 6.457 0.020 1 186 20 20 TYR C C 173.731 0.300 1 187 20 20 TYR CA C 58.611 0.300 1 188 20 20 TYR CB C 37.559 0.300 1 189 20 20 TYR CD1 C 133.396 0.300 1 190 20 20 TYR CE1 C 116.854 0.300 1 191 20 20 TYR N N 120.394 0.300 1 192 21 21 ASP H H 7.491 0.020 1 193 21 21 ASP HA H 4.573 0.020 1 194 21 21 ASP HB2 H 2.713 0.020 1 195 21 21 ASP HB3 H 2.841 0.020 1 196 21 21 ASP C C 178.485 0.300 1 197 21 21 ASP CA C 55.092 0.300 1 198 21 21 ASP CB C 42.678 0.300 1 199 21 21 ASP N N 122.330 0.300 1 200 22 22 ARG H H 9.406 0.020 1 201 22 22 ARG HA H 4.578 0.020 1 202 22 22 ARG HB2 H 1.806 0.020 1 203 22 22 ARG HB3 H 2.021 0.020 1 204 22 22 ARG HG2 H 1.583 0.020 1 205 22 22 ARG HG3 H 1.685 0.020 1 206 22 22 ARG HD2 H 3.074 0.020 1 207 22 22 ARG HD3 H 3.163 0.020 1 208 22 22 ARG C C 175.335 0.300 1 209 22 22 ARG CA C 56.052 0.300 1 210 22 22 ARG CB C 31.264 0.300 1 211 22 22 ARG CG C 26.393 0.300 1 212 22 22 ARG CD C 43.706 0.300 1 213 22 22 ARG N N 129.791 0.300 1 214 23 23 SER H H 8.757 0.020 1 215 23 23 SER HA H 4.278 0.020 1 216 23 23 SER HB2 H 3.987 0.020 1 217 23 23 SER HB3 H 4.022 0.020 1 218 23 23 SER CA C 61.116 0.300 1 219 23 23 SER CB C 65.033 0.300 1 220 23 23 SER N N 124.944 0.300 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D H(CCO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Pih1, (257-344)' _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 27 3 GLU HA H 4.671 0.020 1 2 27 3 GLU HB2 H 2.021 0.020 1 3 27 3 GLU HB3 H 2.079 0.020 1 4 27 3 GLU HG2 H 2.362 0.020 2 5 27 3 GLU HG3 H 2.362 0.020 2 6 27 3 GLU CA C 56.431 0.300 1 7 27 3 GLU CB C 30.094 0.300 1 8 27 3 GLU CG C 36.071 0.300 1 9 28 4 GLN H H 8.668 0.020 1 10 28 4 GLN HA H 4.281 0.020 1 11 28 4 GLN HB2 H 1.904 0.020 1 12 28 4 GLN HB3 H 2.014 0.020 1 13 28 4 GLN HG2 H 2.234 0.020 2 14 28 4 GLN HG3 H 2.234 0.020 2 15 28 4 GLN C C 176.213 0.300 1 16 28 4 GLN CA C 56.822 0.300 1 17 28 4 GLN CB C 30.094 0.300 1 18 28 4 GLN CG C 36.253 0.300 1 19 28 4 GLN N N 122.753 0.300 1 20 29 5 GLN H H 8.558 0.020 1 21 29 5 GLN HA H 4.342 0.020 1 22 29 5 GLN HB2 H 1.996 0.020 1 23 29 5 GLN HB3 H 2.088 0.020 1 24 29 5 GLN HG2 H 2.355 0.020 2 25 29 5 GLN HG3 H 2.355 0.020 2 26 29 5 GLN HE21 H 6.860 0.020 1 27 29 5 GLN HE22 H 7.608 0.020 1 28 29 5 GLN C C 175.780 0.300 1 29 29 5 GLN CA C 55.872 0.300 1 30 29 5 GLN CB C 29.272 0.300 1 31 29 5 GLN CG C 33.797 0.300 1 32 29 5 GLN N N 121.458 0.300 1 33 29 5 GLN NE2 N 112.650 0.300 1 34 30 6 GLU H H 8.521 0.020 1 35 30 6 GLU HA H 4.317 0.020 1 36 30 6 GLU HB2 H 1.974 0.020 2 37 30 6 GLU HB3 H 1.974 0.020 2 38 30 6 GLU HG2 H 2.229 0.020 1 39 30 6 GLU HG3 H 2.358 0.020 1 40 30 6 GLU C C 175.886 0.300 1 41 30 6 GLU CA C 56.454 0.300 1 42 30 6 GLU CB C 30.509 0.300 1 43 30 6 GLU CG C 36.232 0.300 1 44 30 6 GLU N N 122.173 0.300 1 45 31 7 ASP H H 8.358 0.020 1 46 31 7 ASP HA H 4.589 0.020 1 47 31 7 ASP HB2 H 2.464 0.020 1 48 31 7 ASP HB3 H 2.612 0.020 1 49 31 7 ASP C C 175.628 0.300 1 50 31 7 ASP CA C 54.284 0.300 1 51 31 7 ASP CB C 41.156 0.300 1 52 31 7 ASP N N 121.713 0.300 1 53 32 8 VAL H H 8.006 0.020 1 54 32 8 VAL HA H 4.382 0.020 1 55 32 8 VAL HB H 2.076 0.020 1 56 32 8 VAL HG1 H 0.921 0.020 2 57 32 8 VAL HG2 H 0.984 0.020 2 58 32 8 VAL C C 173.883 0.300 1 59 32 8 VAL CA C 59.730 0.300 1 60 32 8 VAL CB C 32.233 0.300 1 61 32 8 VAL CG1 C 20.342 0.300 1 62 32 8 VAL CG2 C 21.228 0.300 1 63 32 8 VAL N N 121.330 0.300 1 64 33 9 PRO HA H 4.278 0.020 1 65 33 9 PRO HB2 H 1.319 0.020 1 66 33 9 PRO HB3 H 2.030 0.020 1 67 33 9 PRO HG2 H 1.947 0.020 2 68 33 9 PRO HG3 H 1.947 0.020 2 69 33 9 PRO HD2 H 3.663 0.020 1 70 33 9 PRO HD3 H 3.775 0.020 1 71 33 9 PRO C C 175.732 0.300 1 72 33 9 PRO CA C 63.010 0.300 1 73 33 9 PRO CB C 32.367 0.300 1 74 33 9 PRO CG C 27.459 0.300 1 75 33 9 PRO CD C 50.604 0.300 1 76 34 10 GLU H H 7.594 0.020 1 77 34 10 GLU HA H 4.273 0.020 1 78 34 10 GLU HB2 H 1.712 0.020 1 79 34 10 GLU HB3 H 1.798 0.020 1 80 34 10 GLU HG2 H 1.992 0.020 1 81 34 10 GLU HG3 H 2.142 0.020 1 82 34 10 GLU C C 174.621 0.300 1 83 34 10 GLU CA C 55.652 0.300 1 84 34 10 GLU CB C 31.374 0.300 1 85 34 10 GLU CG C 35.849 0.300 1 86 34 10 GLU N N 121.480 0.300 1 87 35 11 TYR H H 8.333 0.020 1 88 35 11 TYR HA H 5.421 0.020 1 89 35 11 TYR HB2 H 2.666 0.020 2 90 35 11 TYR HB3 H 2.666 0.020 2 91 35 11 TYR HD1 H 6.949 0.020 3 92 35 11 TYR HD2 H 6.949 0.020 3 93 35 11 TYR HE1 H 6.747 0.020 3 94 35 11 TYR HE2 H 6.747 0.020 3 95 35 11 TYR C C 176.026 0.300 1 96 35 11 TYR CA C 57.145 0.300 1 97 35 11 TYR CB C 40.534 0.300 1 98 35 11 TYR CD1 C 133.002 0.300 1 99 35 11 TYR CE1 C 117.860 0.300 1 100 35 11 TYR N N 119.945 0.300 1 101 36 12 GLU H H 9.129 0.020 1 102 36 12 GLU HA H 4.689 0.020 1 103 36 12 GLU HB2 H 1.886 0.020 1 104 36 12 GLU HB3 H 2.060 0.020 1 105 36 12 GLU HG2 H 2.155 0.020 1 106 36 12 GLU HG3 H 2.229 0.020 1 107 36 12 GLU C C 174.750 0.300 1 108 36 12 GLU CA C 55.545 0.300 1 109 36 12 GLU CB C 32.579 0.300 1 110 36 12 GLU CG C 36.342 0.300 1 111 36 12 GLU N N 124.200 0.300 1 112 37 13 VAL H H 8.703 0.020 1 113 37 13 VAL HA H 4.951 0.020 1 114 37 13 VAL HB H 1.980 0.020 1 115 37 13 VAL HG1 H 0.764 0.020 2 116 37 13 VAL HG2 H 0.861 0.020 2 117 37 13 VAL C C 175.944 0.300 1 118 37 13 VAL CA C 61.465 0.300 1 119 37 13 VAL CB C 33.270 0.300 1 120 37 13 VAL CG1 C 21.326 0.300 1 121 37 13 VAL CG2 C 21.117 0.300 1 122 37 13 VAL N N 126.739 0.300 1 123 38 14 LYS H H 9.088 0.020 1 124 38 14 LYS HA H 4.935 0.020 1 125 38 14 LYS HB2 H 1.671 0.020 1 126 38 14 LYS HB3 H 1.932 0.020 1 127 38 14 LYS HG2 H 1.416 0.020 2 128 38 14 LYS HG3 H 1.416 0.020 2 129 38 14 LYS HD2 H 1.586 0.020 1 130 38 14 LYS HD3 H 1.706 0.020 1 131 38 14 LYS HE2 H 2.896 0.020 2 132 38 14 LYS HE3 H 2.896 0.020 2 133 38 14 LYS C C 175.651 0.300 1 134 38 14 LYS CA C 55.065 0.300 1 135 38 14 LYS CB C 36.314 0.300 1 136 38 14 LYS CG C 25.103 0.300 1 137 38 14 LYS CD C 29.130 0.300 1 138 38 14 LYS CE C 42.206 0.300 1 139 38 14 LYS N N 127.242 0.300 1 140 39 15 MET H H 8.994 0.020 1 141 39 15 MET HA H 5.478 0.020 1 142 39 15 MET HB2 H 1.830 0.020 1 143 39 15 MET HB3 H 2.019 0.020 1 144 39 15 MET HG2 H 2.409 0.020 1 145 39 15 MET HG3 H 2.507 0.020 1 146 39 15 MET HE H 2.031 0.020 1 147 39 15 MET C C 174.785 0.300 1 148 39 15 MET CA C 55.024 0.300 1 149 39 15 MET CB C 36.314 0.300 1 150 39 15 MET CG C 33.162 0.300 1 151 39 15 MET CE C 17.655 0.300 1 152 39 15 MET N N 121.849 0.300 1 153 40 16 LYS H H 8.904 0.020 1 154 40 16 LYS HA H 4.528 0.020 1 155 40 16 LYS HB2 H 1.617 0.020 1 156 40 16 LYS HB3 H 1.750 0.020 1 157 40 16 LYS HG2 H 1.157 0.020 1 158 40 16 LYS HG3 H 0.702 0.020 1 159 40 16 LYS HD2 H 1.441 0.020 1 160 40 16 LYS HD3 H 1.610 0.020 1 161 40 16 LYS HE2 H 2.472 0.020 1 162 40 16 LYS HE3 H 2.695 0.020 1 163 40 16 LYS C C 173.919 0.300 1 164 40 16 LYS CA C 56.345 0.300 1 165 40 16 LYS CB C 36.660 0.300 1 166 40 16 LYS CG C 25.214 0.300 1 167 40 16 LYS CD C 30.070 0.300 1 168 40 16 LYS CE C 42.092 0.300 1 169 40 16 LYS N N 124.758 0.300 1 170 41 17 ARG H H 8.541 0.020 1 171 41 17 ARG HA H 5.287 0.020 1 172 41 17 ARG HB2 H 1.705 0.020 1 173 41 17 ARG HB3 H 1.961 0.020 1 174 41 17 ARG HG2 H 1.606 0.020 2 175 41 17 ARG HG3 H 1.606 0.020 2 176 41 17 ARG HD2 H 3.269 0.020 2 177 41 17 ARG HD3 H 3.269 0.020 2 178 41 17 ARG C C 175.944 0.300 1 179 41 17 ARG CA C 54.319 0.300 1 180 41 17 ARG CB C 31.403 0.300 1 181 41 17 ARG CG C 27.864 0.300 1 182 41 17 ARG CD C 43.074 0.300 1 183 41 17 ARG N N 125.422 0.300 1 184 42 18 PHE H H 8.390 0.020 1 185 42 18 PHE HA H 4.699 0.020 1 186 42 18 PHE HB2 H 2.841 0.020 1 187 42 18 PHE HB3 H 2.914 0.020 1 188 42 18 PHE HD1 H 7.318 0.020 1 189 42 18 PHE HD2 H 7.318 0.020 1 190 42 18 PHE HE1 H 7.477 0.020 1 191 42 18 PHE HE2 H 7.477 0.020 1 192 42 18 PHE C C 175.698 0.300 1 193 42 18 PHE CA C 57.571 0.300 1 194 42 18 PHE CB C 43.785 0.300 1 195 42 18 PHE CD1 C 131.693 0.300 1 196 42 18 PHE CE1 C 131.944 0.300 1 197 42 18 PHE N N 118.973 0.300 1 198 43 19 LYS H H 8.917 0.020 1 199 43 19 LYS HA H 4.714 0.020 1 200 43 19 LYS HB2 H 1.726 0.020 1 201 43 19 LYS HB3 H 1.857 0.020 1 202 43 19 LYS HG2 H 1.438 0.020 2 203 43 19 LYS HG3 H 1.438 0.020 2 204 43 19 LYS HD2 H 1.719 0.020 2 205 43 19 LYS HD3 H 1.719 0.020 2 206 43 19 LYS HE2 H 3.012 0.020 2 207 43 19 LYS HE3 H 3.012 0.020 2 208 43 19 LYS CA C 55.518 0.300 1 209 43 19 LYS CB C 34.516 0.300 1 210 43 19 LYS CG C 24.694 0.300 1 211 43 19 LYS CD C 29.382 0.300 1 212 43 19 LYS CE C 42.274 0.300 1 213 43 19 LYS N N 122.923 0.300 1 214 44 20 GLY H H 8.640 0.020 1 215 44 20 GLY HA2 H 3.909 0.020 2 216 44 20 GLY HA3 H 3.909 0.020 2 217 44 20 GLY C C 173.386 0.300 1 218 44 20 GLY CA C 46.161 0.300 1 219 44 20 GLY N N 111.215 0.300 1 220 45 21 ALA H H 8.298 0.020 1 221 45 21 ALA HA H 4.544 0.020 1 222 45 21 ALA HB H 0.984 0.020 1 223 45 21 ALA C C 176.788 0.300 1 224 45 21 ALA CA C 50.373 0.300 1 225 45 21 ALA CB C 20.611 0.300 1 226 45 21 ALA N N 122.907 0.300 1 227 46 22 ALA H H 8.210 0.020 1 228 46 22 ALA HA H 4.035 0.020 1 229 46 22 ALA HB H 1.219 0.020 1 230 46 22 ALA C C 175.955 0.300 1 231 46 22 ALA CA C 53.626 0.300 1 232 46 22 ALA CB C 18.560 0.300 1 233 46 22 ALA N N 120.692 0.300 1 234 47 23 TYR H H 6.261 0.020 1 235 47 23 TYR HA H 4.956 0.020 1 236 47 23 TYR HB2 H 2.893 0.020 1 237 47 23 TYR HB3 H 3.217 0.020 1 238 47 23 TYR HD1 H 6.612 0.020 1 239 47 23 TYR HD2 H 6.612 0.020 1 240 47 23 TYR HE1 H 5.739 0.020 1 241 47 23 TYR HE2 H 5.739 0.020 1 242 47 23 TYR C C 174.360 0.300 1 243 47 23 TYR CA C 53.066 0.300 1 244 47 23 TYR CB C 39.081 0.300 1 245 47 23 TYR CD1 C 134.219 0.300 1 246 47 23 TYR CE1 C 119.026 0.300 1 247 47 23 TYR N N 112.697 0.300 1 248 48 24 LYS H H 10.799 0.020 1 249 48 24 LYS HA H 4.854 0.020 1 250 48 24 LYS HB2 H 1.886 0.020 1 251 48 24 LYS HB3 H 2.054 0.020 1 252 48 24 LYS HG2 H 1.687 0.020 2 253 48 24 LYS HG3 H 1.687 0.020 2 254 48 24 LYS HD2 H 1.823 0.020 2 255 48 24 LYS HD3 H 1.823 0.020 2 256 48 24 LYS HE2 H 3.105 0.020 2 257 48 24 LYS HE3 H 3.105 0.020 2 258 48 24 LYS C C 177.351 0.300 1 259 48 24 LYS CA C 57.065 0.300 1 260 48 24 LYS CB C 34.931 0.300 1 261 48 24 LYS CG C 25.419 0.300 1 262 48 24 LYS CD C 29.171 0.300 1 263 48 24 LYS CE C 42.515 0.300 1 264 48 24 LYS N N 121.093 0.300 1 265 49 25 LEU H H 9.238 0.020 1 266 49 25 LEU HA H 5.440 0.020 1 267 49 25 LEU HB2 H 1.348 0.020 1 268 49 25 LEU HB3 H 1.859 0.020 1 269 49 25 LEU HG H 1.449 0.020 1 270 49 25 LEU HD1 H 0.829 0.020 2 271 49 25 LEU HD2 H 0.931 0.020 2 272 49 25 LEU C C 173.222 0.300 1 273 49 25 LEU CA C 54.159 0.300 1 274 49 25 LEU CB C 47.382 0.300 1 275 49 25 LEU CG C 27.062 0.300 1 276 49 25 LEU CD1 C 26.737 0.300 1 277 49 25 LEU CD2 C 23.935 0.300 1 278 49 25 LEU N N 124.300 0.300 1 279 50 26 ARG H H 9.325 0.020 1 280 50 26 ARG HA H 5.456 0.020 1 281 50 26 ARG HB2 H 1.572 0.020 1 282 50 26 ARG HB3 H 2.155 0.020 1 283 50 26 ARG HG2 H 0.849 0.020 1 284 50 26 ARG HG3 H 1.012 0.020 1 285 50 26 ARG HD2 H 3.168 0.020 1 286 50 26 ARG HD3 H 3.362 0.020 1 287 50 26 ARG C C 175.416 0.300 1 288 50 26 ARG CA C 53.215 0.300 1 289 50 26 ARG CB C 35.616 0.300 1 290 50 26 ARG CG C 25.660 0.300 1 291 50 26 ARG CD C 44.448 0.300 1 292 50 26 ARG N N 124.973 0.300 1 293 51 27 ILE H H 9.753 0.020 1 294 51 27 ILE HA H 4.787 0.020 1 295 51 27 ILE HB H 1.578 0.020 1 296 51 27 ILE HG12 H 0.833 0.020 1 297 51 27 ILE HG13 H 1.448 0.020 1 298 51 27 ILE HG2 H 0.688 0.020 1 299 51 27 ILE HD1 H 0.662 0.020 1 300 51 27 ILE C C 173.210 0.300 1 301 51 27 ILE CA C 59.944 0.300 1 302 51 27 ILE CB C 40.257 0.300 1 303 51 27 ILE CG1 C 27.291 0.300 1 304 51 27 ILE CG2 C 18.225 0.300 1 305 51 27 ILE CD1 C 14.505 0.300 1 306 51 27 ILE N N 128.927 0.300 1 307 52 28 LEU H H 9.008 0.020 1 308 52 28 LEU HA H 4.957 0.020 1 309 52 28 LEU HB2 H 1.335 0.020 2 310 52 28 LEU HB3 H 1.335 0.020 2 311 52 28 LEU HG H 1.271 0.020 1 312 52 28 LEU HD1 H 0.575 0.020 2 313 52 28 LEU HD2 H 0.606 0.020 2 314 52 28 LEU C C 175.955 0.300 1 315 52 28 LEU CA C 53.519 0.300 1 316 52 28 LEU CB C 45.100 0.300 1 317 52 28 LEU CG C 27.262 0.300 1 318 52 28 LEU CD1 C 25.084 0.300 1 319 52 28 LEU CD2 C 25.876 0.300 1 320 52 28 LEU N N 129.135 0.300 1 321 53 29 ILE H H 8.788 0.020 1 322 53 29 ILE HA H 4.924 0.020 1 323 53 29 ILE HB H 1.617 0.020 1 324 53 29 ILE HG12 H 0.868 0.020 1 325 53 29 ILE HG13 H 1.308 0.020 1 326 53 29 ILE HG2 H 0.528 0.020 1 327 53 29 ILE HD1 H 0.522 0.020 1 328 53 29 ILE C C 174.383 0.300 1 329 53 29 ILE CA C 59.944 0.300 1 330 53 29 ILE CB C 39.704 0.300 1 331 53 29 ILE CG1 C 27.473 0.300 1 332 53 29 ILE CG2 C 18.189 0.300 1 333 53 29 ILE CD1 C 15.367 0.300 1 334 53 29 ILE N N 123.418 0.300 1 335 54 30 GLU H H 8.930 0.020 1 336 54 30 GLU HA H 5.107 0.020 1 337 54 30 GLU HB2 H 1.890 0.020 1 338 54 30 GLU HB3 H 1.969 0.020 1 339 54 30 GLU HG2 H 2.175 0.020 2 340 54 30 GLU HG3 H 2.175 0.020 2 341 54 30 GLU C C 175.791 0.300 1 342 54 30 GLU CA C 54.428 0.300 1 343 54 30 GLU CB C 33.478 0.300 1 344 54 30 GLU CG C 35.909 0.300 1 345 54 30 GLU N N 127.214 0.300 1 346 55 31 ASN H H 8.652 0.020 1 347 55 31 ASN HA H 4.952 0.020 1 348 55 31 ASN HB2 H 2.868 0.020 1 349 55 31 ASN HB3 H 3.229 0.020 1 350 55 31 ASN HD21 H 6.726 0.020 1 351 55 31 ASN HD22 H 8.196 0.020 1 352 55 31 ASN C C 175.897 0.300 1 353 55 31 ASN CA C 52.559 0.300 1 354 55 31 ASN CB C 38.804 0.300 1 355 55 31 ASN CG C 175.868 0.300 1 356 55 31 ASN N N 123.147 0.300 1 357 55 31 ASN ND2 N 112.356 0.300 1 358 56 32 LYS H H 8.953 0.020 1 359 56 32 LYS HA H 4.320 0.020 1 360 56 32 LYS HB2 H 1.617 0.020 1 361 56 32 LYS HB3 H 2.007 0.020 1 362 56 32 LYS HG2 H 1.460 0.020 2 363 56 32 LYS HG3 H 1.460 0.020 2 364 56 32 LYS HD2 H 1.587 0.020 2 365 56 32 LYS HD3 H 1.587 0.020 2 366 56 32 LYS HE2 H 2.853 0.020 1 367 56 32 LYS HE3 H 2.943 0.020 1 368 56 32 LYS C C 176.084 0.300 1 369 56 32 LYS CA C 55.065 0.300 1 370 56 32 LYS CB C 31.679 0.300 1 371 56 32 LYS CG C 24.094 0.300 1 372 56 32 LYS CD C 28.016 0.300 1 373 56 32 LYS CE C 41.780 0.300 1 374 56 32 LYS N N 125.009 0.300 1 375 57 33 ALA H H 8.248 0.020 1 376 57 33 ALA HA H 4.776 0.020 1 377 57 33 ALA HB H 1.366 0.020 1 378 57 33 ALA C C 175.768 0.300 1 379 57 33 ALA CA C 49.840 0.300 1 380 57 33 ALA CB C 19.074 0.300 1 381 57 33 ALA N N 125.261 0.300 1 382 58 34 PRO HA H 4.311 0.020 1 383 58 34 PRO HB2 H 1.955 0.020 1 384 58 34 PRO HB3 H 2.252 0.020 1 385 58 34 PRO HG2 H 1.999 0.020 1 386 58 34 PRO HG3 H 2.183 0.020 1 387 58 34 PRO HD2 H 3.753 0.020 1 388 58 34 PRO HD3 H 3.855 0.020 1 389 58 34 PRO C C 177.082 0.300 1 390 58 34 PRO CA C 64.156 0.300 1 391 58 34 PRO CB C 31.547 0.300 1 392 58 34 PRO CG C 27.237 0.300 1 393 58 34 PRO CD C 50.913 0.300 1 394 59 35 ASN H H 8.592 0.020 1 395 59 35 ASN HA H 4.794 0.020 1 396 59 35 ASN HB2 H 2.716 0.020 1 397 59 35 ASN HB3 H 2.895 0.020 1 398 59 35 ASN HD21 H 6.903 0.020 1 399 59 35 ASN HD22 H 7.648 0.020 1 400 59 35 ASN C C 175.040 0.300 1 401 59 35 ASN CA C 52.799 0.300 1 402 59 35 ASN CB C 38.459 0.300 1 403 59 35 ASN CG C 177.497 0.300 1 404 59 35 ASN N N 116.600 0.300 1 405 59 35 ASN ND2 N 113.619 0.300 1 406 60 36 SER H H 7.875 0.020 1 407 60 36 SER HA H 4.325 0.020 1 408 60 36 SER HB2 H 3.771 0.020 1 409 60 36 SER HB3 H 3.869 0.020 1 410 60 36 SER C C 174.911 0.300 1 411 60 36 SER CA C 58.398 0.300 1 412 60 36 SER CB C 64.261 0.300 1 413 60 36 SER N N 114.534 0.300 1 414 61 37 LYS H H 8.372 0.020 1 415 61 37 LYS HA H 4.472 0.020 1 416 61 37 LYS HB2 H 1.702 0.020 1 417 61 37 LYS HB3 H 1.792 0.020 1 418 61 37 LYS HG2 H 1.477 0.020 2 419 61 37 LYS HG3 H 1.477 0.020 2 420 61 37 LYS HE2 H 2.988 0.020 2 421 61 37 LYS HE3 H 2.988 0.020 2 422 61 37 LYS C C 174.090 0.300 1 423 61 37 LYS CA C 54.932 0.300 1 424 61 37 LYS CB C 31.472 0.300 1 425 61 37 LYS CG C 24.482 0.300 1 426 61 37 LYS CD C 29.017 0.300 1 427 61 37 LYS CE C 41.899 0.300 1 428 61 37 LYS N N 123.357 0.300 1 429 62 38 PRO HA H 4.280 0.020 1 430 62 38 PRO HB2 H 2.294 0.020 2 431 62 38 PRO HB3 H 2.294 0.020 2 432 62 38 PRO HG2 H 2.070 0.020 2 433 62 38 PRO HG3 H 2.070 0.020 2 434 62 38 PRO HD2 H 3.563 0.020 2 435 62 38 PRO HD3 H 3.563 0.020 2 436 62 38 PRO C C 176.706 0.300 1 437 62 38 PRO CA C 63.442 0.300 1 438 62 38 PRO CB C 31.893 0.300 1 439 62 38 PRO CG C 27.463 0.300 1 440 62 38 PRO CD C 50.550 0.300 1 441 63 39 ASP H H 8.351 0.020 1 442 63 39 ASP HA H 4.280 0.020 1 443 63 39 ASP HB2 H 1.599 0.020 1 444 63 39 ASP HB3 H 2.059 0.020 1 445 63 39 ASP C C 175.510 0.300 1 446 63 39 ASP CA C 54.885 0.300 1 447 63 39 ASP CB C 43.004 0.300 1 448 63 39 ASP N N 122.238 0.300 1 449 64 40 ARG H H 8.212 0.020 1 450 64 40 ARG HA H 4.285 0.020 1 451 64 40 ARG HB2 H 1.709 0.020 2 452 64 40 ARG HB3 H 1.709 0.020 2 453 64 40 ARG HG2 H 1.477 0.020 1 454 64 40 ARG HG3 H 1.552 0.020 1 455 64 40 ARG HD2 H 3.161 0.020 2 456 64 40 ARG HD3 H 3.161 0.020 2 457 64 40 ARG C C 174.829 0.300 1 458 64 40 ARG CA C 54.905 0.300 1 459 64 40 ARG CB C 30.988 0.300 1 460 64 40 ARG CG C 26.577 0.300 1 461 64 40 ARG CD C 43.062 0.300 1 462 64 40 ARG N N 120.805 0.300 1 463 65 41 PHE H H 8.696 0.020 1 464 65 41 PHE HA H 4.876 0.020 1 465 65 41 PHE HB2 H 2.747 0.020 1 466 65 41 PHE HB3 H 2.807 0.020 1 467 65 41 PHE HD1 H 6.737 0.020 1 468 65 41 PHE HD2 H 6.737 0.020 1 469 65 41 PHE HE1 H 6.602 0.020 1 470 65 41 PHE HE2 H 6.602 0.020 1 471 65 41 PHE C C 175.275 0.300 1 472 65 41 PHE CA C 56.318 0.300 1 473 65 41 PHE CB C 41.018 0.300 1 474 65 41 PHE CD1 C 131.247 0.300 1 475 65 41 PHE CE1 C 131.523 0.300 1 476 65 41 PHE N N 122.141 0.300 1 477 66 42 SER H H 8.879 0.020 1 478 66 42 SER HA H 4.874 0.020 1 479 66 42 SER HB2 H 3.779 0.020 1 480 66 42 SER HB3 H 3.949 0.020 1 481 66 42 SER C C 181.939 0.300 1 482 66 42 SER CA C 54.742 0.300 1 483 66 42 SER CB C 63.254 0.300 1 484 66 42 SER N N 116.891 0.300 1 485 67 43 PRO HA H 5.279 0.020 1 486 67 43 PRO HB2 H 1.871 0.020 1 487 67 43 PRO HB3 H 2.076 0.020 1 488 67 43 PRO HG2 H 1.520 0.020 2 489 67 43 PRO HG3 H 1.520 0.020 2 490 67 43 PRO HD2 H 3.474 0.020 1 491 67 43 PRO HD3 H 3.792 0.020 1 492 67 43 PRO C C 176.800 0.300 1 493 67 43 PRO CA C 62.406 0.300 1 494 67 43 PRO CB C 32.930 0.300 1 495 67 43 PRO CG C 28.137 0.300 1 496 67 43 PRO CD C 50.248 0.300 1 497 68 44 SER H H 9.261 0.020 1 498 68 44 SER HA H 5.267 0.020 1 499 68 44 SER HB2 H 3.562 0.020 1 500 68 44 SER HB3 H 3.779 0.020 1 501 68 44 SER C C 172.260 0.300 1 502 68 44 SER CA C 57.385 0.300 1 503 68 44 SER CB C 65.666 0.300 1 504 68 44 SER N N 115.569 0.300 1 505 69 45 TYR H H 9.221 0.020 1 506 69 45 TYR HA H 5.335 0.020 1 507 69 45 TYR HB2 H 2.612 0.020 1 508 69 45 TYR HB3 H 2.733 0.020 1 509 69 45 TYR HD1 H 6.531 0.020 1 510 69 45 TYR HD2 H 6.531 0.020 1 511 69 45 TYR HE1 H 6.504 0.020 1 512 69 45 TYR HE2 H 6.504 0.020 1 513 69 45 TYR C C 173.234 0.300 1 514 69 45 TYR CA C 56.185 0.300 1 515 69 45 TYR CB C 41.710 0.300 1 516 69 45 TYR CD1 C 131.970 0.300 1 517 69 45 TYR CE1 C 117.815 0.300 1 518 69 45 TYR N N 122.280 0.300 1 519 70 46 ASN H H 8.078 0.020 1 520 70 46 ASN HA H 4.875 0.020 1 521 70 46 ASN HB2 H 2.640 0.020 1 522 70 46 ASN HB3 H 2.834 0.020 1 523 70 46 ASN HD21 H 6.881 0.020 1 524 70 46 ASN HD22 H 7.444 0.020 1 525 70 46 ASN C C 174.430 0.300 1 526 70 46 ASN CA C 51.706 0.300 1 527 70 46 ASN CB C 39.496 0.300 1 528 70 46 ASN CG C 175.781 0.300 1 529 70 46 ASN N N 127.676 0.300 1 530 70 46 ASN ND2 N 112.425 0.300 1 531 71 47 PHE H H 7.960 0.020 1 532 71 47 PHE HA H 4.019 0.020 1 533 71 47 PHE HB2 H 3.069 0.020 1 534 71 47 PHE HB3 H 3.217 0.020 1 535 71 47 PHE HD1 H 7.388 0.020 1 536 71 47 PHE HD2 H 7.388 0.020 1 537 71 47 PHE HE1 H 7.390 0.020 1 538 71 47 PHE HE2 H 7.390 0.020 1 539 71 47 PHE C C 176.941 0.300 1 540 71 47 PHE CA C 59.757 0.300 1 541 71 47 PHE CB C 39.427 0.300 1 542 71 47 PHE CD1 C 132.377 0.300 1 543 71 47 PHE CE1 C 131.736 0.300 1 544 71 47 PHE N N 123.918 0.300 1 545 72 48 ALA H H 8.124 0.020 1 546 72 48 ALA HA H 4.054 0.020 1 547 72 48 ALA HB H 1.402 0.020 1 548 72 48 ALA C C 179.709 0.300 1 549 72 48 ALA CA C 54.905 0.300 1 550 72 48 ALA CB C 18.473 0.300 1 551 72 48 ALA N N 122.848 0.300 1 552 73 49 GLU H H 7.548 0.020 1 553 73 49 GLU HA H 4.241 0.020 1 554 73 49 GLU HB2 H 1.431 0.020 1 555 73 49 GLU HB3 H 2.115 0.020 1 556 73 49 GLU HG2 H 2.114 0.020 2 557 73 49 GLU HG3 H 2.114 0.020 2 558 73 49 GLU C C 176.037 0.300 1 559 73 49 GLU CA C 55.545 0.300 1 560 73 49 GLU CB C 31.404 0.300 1 561 73 49 GLU CG C 36.376 0.300 1 562 73 49 GLU N N 113.303 0.300 1 563 74 50 ASN H H 7.961 0.020 1 564 74 50 ASN HA H 4.294 0.020 1 565 74 50 ASN HB2 H 2.558 0.020 1 566 74 50 ASN HB3 H 3.406 0.020 1 567 74 50 ASN HD21 H 6.638 0.020 1 568 74 50 ASN HD22 H 7.047 0.020 1 569 74 50 ASN C C 173.480 0.300 1 570 74 50 ASN CA C 53.706 0.300 1 571 74 50 ASN CB C 36.937 0.300 1 572 74 50 ASN CG C 177.796 0.300 1 573 74 50 ASN N N 119.281 0.300 1 574 74 50 ASN ND2 N 113.559 0.300 1 575 75 51 ILE H H 7.088 0.020 1 576 75 51 ILE HA H 4.468 0.020 1 577 75 51 ILE HB H 1.317 0.020 1 578 75 51 ILE HG12 H 0.636 0.020 1 579 75 51 ILE HG13 H 1.447 0.020 1 580 75 51 ILE HG2 H 0.346 0.020 1 581 75 51 ILE HD1 H 0.738 0.020 1 582 75 51 ILE C C 173.480 0.300 1 583 75 51 ILE CA C 59.817 0.300 1 584 75 51 ILE CB C 42.818 0.300 1 585 75 51 ILE CG1 C 27.498 0.300 1 586 75 51 ILE CG2 C 17.300 0.300 1 587 75 51 ILE CD1 C 13.122 0.300 1 588 75 51 ILE N N 115.853 0.300 1 589 76 52 LEU H H 8.513 0.020 1 590 76 52 LEU HA H 5.058 0.020 1 591 76 52 LEU HB2 H 1.216 0.020 1 592 76 52 LEU HB3 H 1.931 0.020 1 593 76 52 LEU HG H 1.418 0.020 1 594 76 52 LEU HD1 H 0.732 0.020 2 595 76 52 LEU HD2 H 0.810 0.020 2 596 76 52 LEU C C 174.383 0.300 1 597 76 52 LEU CA C 53.066 0.300 1 598 76 52 LEU CB C 44.448 0.300 1 599 76 52 LEU CG C 26.971 0.300 1 600 76 52 LEU CD1 C 26.736 0.300 1 601 76 52 LEU CD2 C 24.143 0.300 1 602 76 52 LEU N N 128.240 0.300 1 603 77 53 TYR H H 9.413 0.020 1 604 77 53 TYR HA H 4.573 0.020 1 605 77 53 TYR HB2 H 2.908 0.020 1 606 77 53 TYR HB3 H 3.083 0.020 1 607 77 53 TYR HD1 H 7.044 0.020 1 608 77 53 TYR HD2 H 7.044 0.020 1 609 77 53 TYR HE1 H 6.642 0.020 1 610 77 53 TYR HE2 H 6.642 0.020 1 611 77 53 TYR C C 175.052 0.300 1 612 77 53 TYR CA C 58.451 0.300 1 613 77 53 TYR CB C 38.874 0.300 1 614 77 53 TYR CD1 C 133.645 0.300 1 615 77 53 TYR CE1 C 117.746 0.300 1 616 77 53 TYR N N 130.391 0.300 1 617 78 54 ILE H H 8.320 0.020 1 618 78 54 ILE HA H 3.998 0.020 1 619 78 54 ILE HB H 1.792 0.020 1 620 78 54 ILE HG12 H 0.888 0.020 1 621 78 54 ILE HG13 H 1.279 0.020 1 622 78 54 ILE HG2 H 0.517 0.020 1 623 78 54 ILE HD1 H 0.350 0.020 1 624 78 54 ILE C C 174.782 0.300 1 625 78 54 ILE CA C 60.610 0.300 1 626 78 54 ILE CB C 35.992 0.300 1 627 78 54 ILE CG1 C 25.753 0.300 1 628 78 54 ILE CG2 C 17.981 0.300 1 629 78 54 ILE CD1 C 8.961 0.300 1 630 78 54 ILE N N 124.110 0.300 1 631 79 55 ASN H H 8.008 0.020 1 632 79 55 ASN HA H 4.351 0.020 1 633 79 55 ASN HB2 H 3.228 0.020 1 634 79 55 ASN HB3 H 3.466 0.020 1 635 79 55 ASN HD21 H 6.352 0.020 1 636 79 55 ASN HD22 H 7.243 0.020 1 637 79 55 ASN C C 175.134 0.300 1 638 79 55 ASN CA C 52.598 0.300 1 639 79 55 ASN CB C 37.559 0.300 1 640 79 55 ASN CG C 175.768 0.300 1 641 79 55 ASN N N 114.344 0.300 1 642 79 55 ASN ND2 N 108.594 0.300 1 643 80 56 GLY HA2 H 3.923 0.020 2 644 80 56 GLY HA3 H 3.923 0.020 2 645 80 56 GLY C C 174.137 0.300 1 646 80 56 GLY CA C 46.934 0.300 1 647 81 57 LYS H H 7.980 0.020 1 648 81 57 LYS HA H 4.581 0.020 1 649 81 57 LYS HB2 H 1.846 0.020 1 650 81 57 LYS HB3 H 2.063 0.020 1 651 81 57 LYS HG2 H 1.475 0.020 2 652 81 57 LYS HG3 H 1.475 0.020 2 653 81 57 LYS HD2 H 1.736 0.020 2 654 81 57 LYS HD3 H 1.736 0.020 2 655 81 57 LYS HE2 H 3.011 0.020 1 656 81 57 LYS HE3 H 3.045 0.020 1 657 81 57 LYS C C 175.721 0.300 1 658 81 57 LYS CA C 55.438 0.300 1 659 81 57 LYS CB C 34.284 0.300 1 660 81 57 LYS CG C 24.780 0.300 1 661 81 57 LYS CD C 28.922 0.300 1 662 81 57 LYS CE C 42.091 0.300 1 663 81 57 LYS N N 117.097 0.300 1 664 82 58 LEU H H 7.571 0.020 1 665 82 58 LEU HA H 4.743 0.020 1 666 82 58 LEU HB2 H 1.234 0.020 2 667 82 58 LEU HB3 H 1.234 0.020 2 668 82 58 LEU HG H 0.973 0.020 1 669 82 58 LEU HD1 H 0.313 0.020 2 670 82 58 LEU HD2 H 0.702 0.020 2 671 82 58 LEU C C 173.257 0.300 1 672 82 58 LEU CA C 55.026 0.300 1 673 82 58 LEU CB C 44.269 0.300 1 674 82 58 LEU CG C 26.800 0.300 1 675 82 58 LEU CD1 C 25.689 0.300 1 676 82 58 LEU CD2 C 22.869 0.300 1 677 82 58 LEU N N 122.332 0.300 1 678 83 59 SER H H 8.553 0.020 1 679 83 59 SER HA H 4.903 0.020 1 680 83 59 SER HB2 H 3.496 0.020 1 681 83 59 SER HB3 H 3.678 0.020 1 682 83 59 SER C C 172.596 0.300 1 683 83 59 SER CA C 57.571 0.300 1 684 83 59 SER CB C 66.296 0.300 1 685 83 59 SER N N 123.187 0.300 1 686 84 60 ILE H H 9.056 0.020 1 687 84 60 ILE HA H 4.582 0.020 1 688 84 60 ILE HB H 1.843 0.020 1 689 84 60 ILE HG12 H 1.037 0.020 1 690 84 60 ILE HG13 H 1.252 0.020 1 691 84 60 ILE HG2 H 0.739 0.020 1 692 84 60 ILE HD1 H 0.648 0.020 1 693 84 60 ILE C C 173.205 0.300 1 694 84 60 ILE CA C 57.771 0.300 1 695 84 60 ILE CB C 41.049 0.300 1 696 84 60 ILE CG1 C 26.731 0.300 1 697 84 60 ILE CG2 C 17.097 0.300 1 698 84 60 ILE CD1 C 14.235 0.300 1 699 84 60 ILE N N 122.240 0.300 1 700 85 61 PRO HA H 4.670 0.020 1 701 85 61 PRO HB2 H 1.929 0.020 1 702 85 61 PRO HB3 H 2.279 0.020 1 703 85 61 PRO HG2 H 2.180 0.020 2 704 85 61 PRO HG3 H 2.180 0.020 2 705 85 61 PRO HD2 H 3.823 0.020 2 706 85 61 PRO HD3 H 3.823 0.020 2 707 85 61 PRO C C 176.389 0.300 1 708 85 61 PRO CA C 62.348 0.300 1 709 85 61 PRO CB C 31.334 0.300 1 710 85 61 PRO CG C 27.533 0.300 1 711 85 61 PRO CD C 51.335 0.300 1 712 86 62 LEU H H 8.050 0.020 1 713 86 62 LEU HA H 4.637 0.020 1 714 86 62 LEU HB2 H 1.183 0.020 1 715 86 62 LEU HB3 H 1.849 0.020 1 716 86 62 LEU HG H 1.731 0.020 1 717 86 62 LEU HD1 H 0.671 0.020 2 718 86 62 LEU HD2 H 0.795 0.020 2 719 86 62 LEU C C 174.656 0.300 1 720 86 62 LEU CA C 52.383 0.300 1 721 86 62 LEU CB C 40.113 0.300 1 722 86 62 LEU CG C 26.854 0.300 1 723 86 62 LEU CD1 C 23.186 0.300 1 724 86 62 LEU CD2 C 26.555 0.300 1 725 86 62 LEU N N 124.791 0.300 1 726 87 63 PRO HA H 4.477 0.020 1 727 87 63 PRO HB2 H 1.982 0.020 1 728 87 63 PRO HB3 H 2.434 0.020 1 729 87 63 PRO HG2 H 1.962 0.020 1 730 87 63 PRO HG3 H 2.102 0.020 1 731 87 63 PRO HD2 H 3.298 0.020 1 732 87 63 PRO HD3 H 3.686 0.020 1 733 87 63 PRO C C 177.574 0.300 1 734 87 63 PRO CA C 62.816 0.300 1 735 87 63 PRO CB C 32.169 0.300 1 736 87 63 PRO CG C 27.835 0.300 1 737 87 63 PRO CD C 50.188 0.300 1 738 88 64 ARG H H 8.640 0.020 1 739 88 64 ARG HA H 4.140 0.020 1 740 88 64 ARG HB2 H 1.847 0.020 1 741 88 64 ARG HB3 H 1.954 0.020 1 742 88 64 ARG HG2 H 1.759 0.020 1 743 88 64 ARG HG3 H 1.791 0.020 1 744 88 64 ARG HD2 H 3.260 0.020 2 745 88 64 ARG HD3 H 3.260 0.020 2 746 88 64 ARG C C 176.295 0.300 1 747 88 64 ARG CA C 57.465 0.300 1 748 88 64 ARG CB C 30.157 0.300 1 749 88 64 ARG CG C 27.231 0.300 1 750 88 64 ARG CD C 43.266 0.300 1 751 88 64 ARG N N 119.930 0.300 1 752 89 65 ASP H H 8.635 0.020 1 753 89 65 ASP HA H 4.507 0.020 1 754 89 65 ASP HB2 H 2.577 0.020 1 755 89 65 ASP HB3 H 2.868 0.020 1 756 89 65 ASP C C 175.101 0.300 1 757 89 65 ASP CA C 53.839 0.300 1 758 89 65 ASP CB C 39.565 0.300 1 759 89 65 ASP N N 114.740 0.300 1 760 90 66 ILE H H 7.214 0.020 1 761 90 66 ILE HA H 4.270 0.020 1 762 90 66 ILE HB H 1.844 0.020 1 763 90 66 ILE HG12 H 1.185 0.020 1 764 90 66 ILE HG13 H 1.367 0.020 1 765 90 66 ILE HG2 H 0.787 0.020 1 766 90 66 ILE HD1 H 0.762 0.020 1 767 90 66 ILE C C 174.340 0.300 1 768 90 66 ILE CA C 59.810 0.300 1 769 90 66 ILE CB C 38.832 0.300 1 770 90 66 ILE CG1 C 26.600 0.300 1 771 90 66 ILE CG2 C 17.373 0.300 1 772 90 66 ILE CD1 C 13.121 0.300 1 773 90 66 ILE N N 118.493 0.300 1 774 91 67 VAL H H 8.339 0.020 1 775 91 67 VAL HA H 4.038 0.020 1 776 91 67 VAL HB H 1.930 0.020 1 777 91 67 VAL HG1 H 0.818 0.020 2 778 91 67 VAL HG2 H 0.886 0.020 2 779 91 67 VAL C C 175.593 0.300 1 780 91 67 VAL CA C 62.396 0.300 1 781 91 67 VAL CB C 31.887 0.300 1 782 91 67 VAL CG1 C 21.037 0.300 1 783 91 67 VAL CG2 C 21.064 0.300 1 784 91 67 VAL N N 126.767 0.300 1 785 92 68 VAL H H 8.545 0.020 1 786 92 68 VAL HA H 3.937 0.020 1 787 92 68 VAL HB H 1.864 0.020 1 788 92 68 VAL HG1 H 0.267 0.020 2 789 92 68 VAL HG2 H 0.712 0.020 2 790 92 68 VAL C C 174.773 0.300 1 791 92 68 VAL CA C 62.298 0.300 1 792 92 68 VAL CB C 32.924 0.300 1 793 92 68 VAL CG1 C 20.860 0.300 1 794 92 68 VAL CG2 C 21.273 0.300 1 795 92 68 VAL N N 128.204 0.300 1 796 93 69 ASN H H 8.492 0.020 1 797 93 69 ASN HA H 4.984 0.020 1 798 93 69 ASN HB2 H 2.693 0.020 1 799 93 69 ASN HB3 H 2.935 0.020 1 800 93 69 ASN HD21 H 6.926 0.020 1 801 93 69 ASN HD22 H 7.720 0.020 1 802 93 69 ASN C C 176.131 0.300 1 803 93 69 ASN CA C 51.680 0.300 1 804 93 69 ASN CB C 39.635 0.300 1 805 93 69 ASN CG C 176.863 0.300 1 806 93 69 ASN N N 124.274 0.300 1 807 93 69 ASN ND2 N 113.812 0.300 1 808 94 70 ALA H H 9.258 0.020 1 809 94 70 ALA HA H 3.667 0.020 1 810 94 70 ALA HB H 1.488 0.020 1 811 94 70 ALA C C 178.216 0.300 1 812 94 70 ALA CA C 55.518 0.300 1 813 94 70 ALA CB C 18.645 0.300 1 814 94 70 ALA N N 127.980 0.300 1 815 95 71 ALA H H 8.193 0.020 1 816 95 71 ALA HA H 4.167 0.020 1 817 95 71 ALA HB H 1.389 0.020 1 818 95 71 ALA C C 177.818 0.300 1 819 95 71 ALA CA C 53.759 0.300 1 820 95 71 ALA CB C 18.337 0.300 1 821 95 71 ALA N N 116.387 0.300 1 822 96 72 ASP H H 7.836 0.020 1 823 96 72 ASP HA H 4.746 0.020 1 824 96 72 ASP HB2 H 2.693 0.020 1 825 96 72 ASP HB3 H 3.069 0.020 1 826 96 72 ASP C C 176.108 0.300 1 827 96 72 ASP CA C 54.452 0.300 1 828 96 72 ASP CB C 42.056 0.300 1 829 96 72 ASP N N 115.714 0.300 1 830 97 73 ILE H H 7.169 0.020 1 831 97 73 ILE HA H 4.112 0.020 1 832 97 73 ILE HB H 1.778 0.020 1 833 97 73 ILE HG12 H 0.734 0.020 1 834 97 73 ILE HG13 H 0.913 0.020 1 835 97 73 ILE HG2 H 0.656 0.020 1 836 97 73 ILE HD1 H 0.394 0.020 1 837 97 73 ILE C C 175.148 0.300 1 838 97 73 ILE CA C 63.189 0.300 1 839 97 73 ILE CB C 37.628 0.300 1 840 97 73 ILE CG1 C 27.106 0.300 1 841 97 73 ILE CG2 C 16.840 0.300 1 842 97 73 ILE CD1 C 12.704 0.300 1 843 97 73 ILE N N 120.270 0.300 1 844 98 74 LYS H H 8.664 0.020 1 845 98 74 LYS HA H 4.377 0.020 1 846 98 74 LYS HB2 H 1.354 0.020 1 847 98 74 LYS HB3 H 1.819 0.020 1 848 98 74 LYS HG2 H 1.491 0.020 2 849 98 74 LYS HG3 H 1.491 0.020 2 850 98 74 LYS HD2 H 1.496 0.020 2 851 98 74 LYS HD3 H 1.496 0.020 2 852 98 74 LYS HE2 H 3.001 0.020 2 853 98 74 LYS HE3 H 3.001 0.020 2 854 98 74 LYS C C 174.340 0.300 1 855 98 74 LYS CA C 53.804 0.300 1 856 98 74 LYS CB C 33.962 0.300 1 857 98 74 LYS CG C 23.762 0.300 1 858 98 74 LYS CD C 28.197 0.300 1 859 98 74 LYS CE C 42.331 0.300 1 860 98 74 LYS N N 129.076 0.300 1 861 99 75 ILE H H 8.064 0.020 1 862 99 75 ILE HA H 4.925 0.020 1 863 99 75 ILE HB H 2.041 0.020 1 864 99 75 ILE HG12 H 0.840 0.020 1 865 99 75 ILE HG13 H 1.466 0.020 1 866 99 75 ILE HG2 H 0.645 0.020 1 867 99 75 ILE HD1 H 0.515 0.020 1 868 99 75 ILE C C 174.293 0.300 1 869 99 75 ILE CA C 60.877 0.300 1 870 99 75 ILE CB C 37.952 0.300 1 871 99 75 ILE CG1 C 27.062 0.300 1 872 99 75 ILE CG2 C 18.612 0.300 1 873 99 75 ILE CD1 C 13.914 0.300 1 874 99 75 ILE N N 121.555 0.300 1 875 100 76 PHE H H 9.404 0.020 1 876 100 76 PHE HA H 5.792 0.020 1 877 100 76 PHE HB2 H 2.743 0.020 1 878 100 76 PHE HB3 H 2.855 0.020 1 879 100 76 PHE HD1 H 7.342 0.020 1 880 100 76 PHE HD2 H 7.342 0.020 1 881 100 76 PHE C C 174.574 0.300 1 882 100 76 PHE CA C 55.352 0.300 1 883 100 76 PHE CB C 42.609 0.300 1 884 100 76 PHE CD1 C 128.393 0.300 1 885 100 76 PHE N N 125.411 0.300 1 886 101 77 HIS H H 9.213 0.020 1 887 101 77 HIS HA H 5.529 0.020 1 888 101 77 HIS HB2 H 2.631 0.020 1 889 101 77 HIS HB3 H 3.164 0.020 1 890 101 77 HIS HD2 H 7.065 0.020 1 891 101 77 HIS HE1 H 7.883 0.020 1 892 101 77 HIS C C 174.223 0.300 1 893 101 77 HIS CA C 53.120 0.300 1 894 101 77 HIS CB C 33.616 0.300 1 895 101 77 HIS CD2 C 120.173 0.300 1 896 101 77 HIS CE1 C 138.451 0.300 1 897 101 77 HIS N N 122.941 0.300 1 898 101 77 HIS ND1 N 221.709 0.300 1 899 101 77 HIS NE2 N 182.566 0.300 1 900 102 78 ILE H H 8.506 0.020 1 901 102 78 ILE HA H 4.884 0.020 1 902 102 78 ILE HB H 2.115 0.020 1 903 102 78 ILE HG12 H 0.910 0.020 1 904 102 78 ILE HG13 H 1.427 0.020 1 905 102 78 ILE HG2 H 0.929 0.020 1 906 102 78 ILE HD1 H 0.590 0.020 1 907 102 78 ILE C C 176.705 0.300 1 908 102 78 ILE CA C 60.182 0.300 1 909 102 78 ILE CB C 36.314 0.300 1 910 102 78 ILE CG1 C 26.196 0.300 1 911 102 78 ILE CG2 C 18.744 0.300 1 912 102 78 ILE CD1 C 12.779 0.300 1 913 102 78 ILE N N 127.582 0.300 1 914 103 79 ARG H H 8.736 0.020 1 915 103 79 ARG HA H 3.685 0.020 1 916 103 79 ARG HB2 H 1.661 0.020 1 917 103 79 ARG HB3 H 1.715 0.020 1 918 103 79 ARG HG2 H 1.433 0.020 1 919 103 79 ARG HG3 H 1.521 0.020 1 920 103 79 ARG HD2 H 3.211 0.020 2 921 103 79 ARG HD3 H 3.211 0.020 2 922 103 79 ARG C C 180.569 0.300 1 923 103 79 ARG CA C 60.332 0.300 1 924 103 79 ARG CB C 29.673 0.300 1 925 103 79 ARG CG C 27.346 0.300 1 926 103 79 ARG CD C 43.251 0.300 1 927 103 79 ARG N N 129.451 0.300 1 928 104 80 LYS H H 9.136 0.020 1 929 104 80 LYS HA H 4.176 0.020 1 930 104 80 LYS HB2 H 1.854 0.020 1 931 104 80 LYS HB3 H 1.987 0.020 1 932 104 80 LYS HG2 H 1.477 0.020 2 933 104 80 LYS HG3 H 1.477 0.020 2 934 104 80 LYS HD2 H 1.732 0.020 2 935 104 80 LYS HD3 H 1.732 0.020 2 936 104 80 LYS HE2 H 3.045 0.020 2 937 104 80 LYS HE3 H 3.045 0.020 2 938 104 80 LYS C C 176.986 0.300 1 939 104 80 LYS CA C 59.068 0.300 1 940 104 80 LYS CB C 32.063 0.300 1 941 104 80 LYS CG C 24.969 0.300 1 942 104 80 LYS CD C 29.170 0.300 1 943 104 80 LYS CE C 41.883 0.300 1 944 104 80 LYS N N 118.234 0.300 1 945 105 81 GLU H H 7.139 0.020 1 946 105 81 GLU HA H 4.583 0.020 1 947 105 81 GLU HB2 H 1.968 0.020 1 948 105 81 GLU HB3 H 2.467 0.020 1 949 105 81 GLU HG2 H 2.307 0.020 2 950 105 81 GLU HG3 H 2.307 0.020 2 951 105 81 GLU C C 176.764 0.300 1 952 105 81 GLU CA C 55.385 0.300 1 953 105 81 GLU CB C 31.281 0.300 1 954 105 81 GLU CG C 36.429 0.300 1 955 105 81 GLU N N 115.154 0.300 1 956 106 82 ARG H H 8.426 0.020 1 957 106 82 ARG HA H 4.613 0.020 1 958 106 82 ARG HB2 H 2.330 0.020 2 959 106 82 ARG HB3 H 2.330 0.020 2 960 106 82 ARG HG2 H 1.778 0.020 2 961 106 82 ARG HG3 H 1.778 0.020 2 962 106 82 ARG HD2 H 3.336 0.020 2 963 106 82 ARG HD3 H 3.336 0.020 2 964 106 82 ARG C C 175.169 0.300 1 965 106 82 ARG CA C 56.772 0.300 1 966 106 82 ARG CB C 28.163 0.300 1 967 106 82 ARG CG C 27.079 0.300 1 968 106 82 ARG CD C 43.421 0.300 1 969 106 82 ARG N N 119.949 0.300 1 970 107 83 THR H H 7.335 0.020 1 971 107 83 THR HA H 5.406 0.020 1 972 107 83 THR HB H 3.817 0.020 1 973 107 83 THR HG2 H 0.675 0.020 1 974 107 83 THR C C 172.022 0.300 1 975 107 83 THR CA C 61.476 0.300 1 976 107 83 THR CB C 72.770 0.300 1 977 107 83 THR CG2 C 21.723 0.300 1 978 107 83 THR N N 110.019 0.300 1 979 108 84 LEU H H 8.942 0.020 1 980 108 84 LEU HA H 5.109 0.020 1 981 108 84 LEU HB2 H 0.853 0.020 1 982 108 84 LEU HB3 H 1.241 0.020 1 983 108 84 LEU HG H 0.985 0.020 1 984 108 84 LEU HD1 H -000.02 0.020 2 985 108 84 LEU HD2 H 0.159 0.020 2 986 108 84 LEU C C 174.223 0.300 1 987 108 84 LEU CA C 52.959 0.300 1 988 108 84 LEU CB C 45.584 0.300 1 989 108 84 LEU CG C 25.850 0.300 1 990 108 84 LEU CD1 C 24.126 0.300 1 991 108 84 LEU CD2 C 24.144 0.300 1 992 108 84 LEU N N 127.320 0.300 1 993 109 85 TYR H H 9.390 0.020 1 994 109 85 TYR HA H 4.814 0.020 1 995 109 85 TYR HB2 H 2.892 0.020 1 996 109 85 TYR HB3 H 3.190 0.020 1 997 109 85 TYR HD1 H 6.921 0.020 1 998 109 85 TYR HD2 H 6.921 0.020 1 999 109 85 TYR HE1 H 6.666 0.020 1 1000 109 85 TYR HE2 H 6.666 0.020 1 1001 109 85 TYR C C 174.551 0.300 1 1002 109 85 TYR CA C 57.225 0.300 1 1003 109 85 TYR CB C 41.917 0.300 1 1004 109 85 TYR CD1 C 133.169 0.300 1 1005 109 85 TYR CE1 C 118.236 0.300 1 1006 109 85 TYR N N 123.629 0.300 1 1007 110 86 ILE H H 9.028 0.020 1 1008 110 86 ILE HA H 5.003 0.020 1 1009 110 86 ILE HB H 1.751 0.020 1 1010 110 86 ILE HG12 H 0.821 0.020 1 1011 110 86 ILE HG13 H 1.356 0.020 1 1012 110 86 ILE HG2 H 0.594 0.020 1 1013 110 86 ILE HD1 H 0.507 0.020 1 1014 110 86 ILE C C 174.153 0.300 1 1015 110 86 ILE CA C 59.786 0.300 1 1016 110 86 ILE CB C 39.773 0.300 1 1017 110 86 ILE CG1 C 27.308 0.300 1 1018 110 86 ILE CG2 C 16.839 0.300 1 1019 110 86 ILE CD1 C 14.877 0.300 1 1020 110 86 ILE N N 122.148 0.300 1 1021 111 87 TYR H H 9.402 0.020 1 1022 111 87 TYR HA H 5.196 0.020 1 1023 111 87 TYR HB2 H 2.526 0.020 1 1024 111 87 TYR HB3 H 2.718 0.020 1 1025 111 87 TYR HD1 H 6.949 0.020 1 1026 111 87 TYR HD2 H 6.949 0.020 1 1027 111 87 TYR HE1 H 6.361 0.020 1 1028 111 87 TYR HE2 H 6.361 0.020 1 1029 111 87 TYR C C 174.492 0.300 1 1030 111 87 TYR CA C 57.544 0.300 1 1031 111 87 TYR CB C 40.396 0.300 1 1032 111 87 TYR CD1 C 131.580 0.300 1 1033 111 87 TYR CE1 C 116.511 0.300 1 1034 111 87 TYR N N 125.831 0.300 1 1035 112 88 ILE H H 8.998 0.020 1 1036 112 88 ILE HA H 4.152 0.020 1 1037 112 88 ILE HB H 1.661 0.020 1 1038 112 88 ILE HG12 H 0.861 0.020 1 1039 112 88 ILE HG13 H 1.467 0.020 1 1040 112 88 ILE HG2 H 0.884 0.020 1 1041 112 88 ILE HD1 H 0.672 0.020 1 1042 112 88 ILE C C 179.433 0.300 1 1043 112 88 ILE CA C 63.920 0.300 1 1044 112 88 ILE CB C 42.133 0.300 1 1045 112 88 ILE CG1 C 28.473 0.300 1 1046 112 88 ILE CG2 C 18.798 0.300 1 1047 112 88 ILE CD1 C 15.018 0.300 1 1048 112 88 ILE N N 127.850 0.300 1 stop_ save_