data_15053 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HPRP-173-195 SOLUTION STRUCTURE ; _BMRB_accession_number 15053 _BMRB_flat_file_name bmr15053.str _Entry_type original _Submission_date 2006-11-27 _Accession_date 2006-11-27 _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 Saviano Gabriella . . 2 Tancredi Teodorico . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-10-07 update BMRB 'Complete Entry Citation' 2007-02-01 original author 'Original Release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15052 'prion protein fragment 173-195' 15054 'prion protein fragment 180-195' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of a neurotoxic threonine-rich peptide corresponding to the human prion protein alpha2-helical 180-195 segment, and comparison with full-length alpha2-helix-derived peptides' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18563793 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ronga Luisa . . 2 Palladino Pasquale . . 3 Saviano Gabriella . . 4 Tancredi Teodorico . . 5 Benedetti Ettore . . 6 Ragone Raffaele . . 7 Rossi Filomena . . stop_ _Journal_abbreviation 'J. Pept. Sci.' _Journal_volume 14 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1096 _Page_last 1102 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'prion protein fragment' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'prion protein fragment, alpha-2 helix' $HPRP173195 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_HPRP173195 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HPRP173195 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; NNFVHDCVNITIKQHTVTTT TKG ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 ASN 3 PHE 4 VAL 5 HIS 6 ASP 7 CYS 8 VAL 9 ASN 10 ILE 11 THR 12 ILE 13 LYS 14 GLN 15 HIS 16 THR 17 VAL 18 THR 19 THR 20 THR 21 THR 22 LYS 23 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 15824 Prion_Protein 100.00 113 100.00 100.00 3.37e-06 BMRB 15845 Prion_Protein 100.00 114 100.00 100.00 1.37e-05 BMRB 16071 mPrP90 100.00 144 100.00 100.00 7.61e-06 BMRB 16075 mPrP90_M129V 100.00 141 100.00 100.00 1.28e-05 BMRB 16076 mPrP90_P102L 100.00 141 100.00 100.00 1.22e-05 BMRB 16077 mPrP90_P105L 100.00 141 100.00 100.00 1.22e-05 BMRB 16078 mPrP90_A117V 100.00 142 100.00 100.00 1.15e-05 BMRB 16079 mPrP90_3AV 100.00 142 100.00 100.00 4.18e-06 BMRB 16080 mPrP90_2II 100.00 142 100.00 100.00 6.45e-06 BMRB 16184 mpp_121-231 100.00 114 100.00 100.00 1.02e-05 BMRB 16185 mpp_121-231 100.00 114 100.00 100.00 6.69e-06 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 100.00 113 100.00 100.00 1.16e-05 BMRB 16723 "mouse prion protein double mutant D167S, N173K" 95.65 113 100.00 100.00 4.51e-05 BMRB 16743 "HuPrP(90-231 M129 Q212P)" 100.00 148 100.00 100.00 3.40e-05 BMRB 17034 shPrP 100.00 162 100.00 100.00 5.28e-05 BMRB 17081 "Prion with Y169G mutation" 100.00 114 100.00 100.00 8.83e-06 BMRB 17084 prion 100.00 114 100.00 100.00 8.83e-06 BMRB 17087 "Prion with Y169A, Y225A, Y226A mutation" 100.00 114 100.00 100.00 1.05e-05 BMRB 17174 Mouse_prion 100.00 114 100.00 100.00 8.83e-06 BMRB 17213 entity 100.00 114 100.00 100.00 9.19e-06 BMRB 17714 HuPrP 100.00 147 100.00 100.00 2.58e-06 BMRB 17756 hPrP(121-230) 100.00 113 100.00 100.00 1.23e-05 BMRB 17758 mPrP(121-232) 100.00 114 100.00 100.00 8.83e-06 BMRB 17780 Hpp_E219K 100.00 142 100.00 100.00 6.92e-06 BMRB 17834 shPrP 100.00 104 100.00 100.00 3.96e-06 BMRB 18426 entity 100.00 142 100.00 100.00 5.57e-06 BMRB 18550 V210I 100.00 147 100.00 100.00 2.58e-06 BMRB 19268 MAJOR_PRION_PROTEIN 100.00 146 100.00 100.00 2.89e-06 BMRB 4307 "recombinant Syrian hamster prion protein" 100.00 142 100.00 100.00 3.83e-06 BMRB 4379 "human prion protein" 100.00 112 100.00 100.00 9.10e-06 BMRB 4402 "human prion protein" 100.00 210 100.00 100.00 1.16e-07 BMRB 4434 "human prion protein" 100.00 143 100.00 100.00 4.92e-06 BMRB 4620 "prion protein" 100.00 112 100.00 100.00 1.16e-05 BMRB 4641 "PRION PROTEIN" 100.00 146 100.00 100.00 4.20e-06 BMRB 4736 "human prion protein" 100.00 112 100.00 100.00 1.23e-05 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 100.00 103 100.00 100.00 3.25e-06 PDB 1B10 "Solution Nmr Structure Of Recombinant Syrian Hamster Prion Protein Rprp(90-231) , 25 Structures" 100.00 142 100.00 100.00 3.83e-06 PDB 1E1G "Human Prion Protein Variant M166v" 100.00 104 100.00 100.00 2.62e-06 PDB 1E1J "Human Prion Protein Variant M166v" 100.00 104 100.00 100.00 2.62e-06 PDB 1E1P "Human Prion Protein Variant S170n" 100.00 104 100.00 100.00 2.73e-06 PDB 1E1S "Human Prion Protein Variant S170n" 100.00 104 100.00 100.00 2.73e-06 PDB 1E1U "Human Prion Protein Variant R220k" 100.00 104 100.00 100.00 2.49e-06 PDB 1E1W "Human Prion Protein Variant R220k" 100.00 104 100.00 100.00 2.49e-06 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 100.00 142 100.00 100.00 6.92e-06 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 100.00 142 100.00 100.00 6.92e-06 PDB 1H0L "Human Prion Protein 121-230 M166c/e221c" 100.00 112 100.00 100.00 4.18e-06 PDB 1HJM "Human Prion Protein At Ph 7.0" 100.00 104 100.00 100.00 2.29e-05 PDB 1HJN "Human Prion Protein At Ph 7.0" 100.00 104 100.00 100.00 2.29e-05 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 100.00 108 100.00 100.00 1.20e-05 PDB 1QLX "Human Prion Protein" 100.00 210 100.00 100.00 1.16e-07 PDB 1QLZ "Human Prion Protein" 100.00 210 100.00 100.00 1.16e-07 PDB 1QM0 "Human Prion Protein Fragment 90-230" 100.00 143 100.00 100.00 4.92e-06 PDB 1QM1 "Human Prion Protein Fragment 90-230" 100.00 143 100.00 100.00 4.92e-06 PDB 1QM2 "Human Prion Protein Fragment 121-230" 100.00 112 100.00 100.00 9.10e-06 PDB 1QM3 "Human Prion Protein Fragment 121-230" 100.00 112 100.00 100.00 9.10e-06 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 100.00 112 100.00 100.00 1.11e-05 PDB 2IV5 "Hprp-173-195 Solution Structure" 95.65 23 100.00 100.00 7.28e-05 PDB 2K56 "Bank Vole Prion Protein (121-231)" 100.00 113 100.00 100.00 3.37e-06 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 100.00 100.00 1.37e-05 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 100.00 100.00 1.02e-05 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 100.00 100.00 6.69e-06 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 100.00 113 100.00 100.00 1.16e-05 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 95.65 113 100.00 100.00 4.51e-05 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 100.00 148 100.00 100.00 3.40e-05 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 100.00 100.00 8.83e-06 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 100.00 100.00 8.83e-06 PDB 2L1K "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" 100.00 114 100.00 100.00 1.05e-05 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 100.00 100.00 8.83e-06 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 100.00 100.00 9.19e-06 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 100.00 147 100.00 100.00 2.58e-06 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 100.00 142 100.00 100.00 6.92e-06 PDB 2LH8 "Syrian Hamster Prion Protein With Thiamine" 100.00 104 100.00 100.00 3.96e-06 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 100.00 142 100.00 100.00 5.57e-06 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 100.00 147 100.00 100.00 2.58e-06 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 100.00 146 100.00 100.00 2.89e-06 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 100.00 113 100.00 100.00 8.12e-06 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 100.00 142 100.00 100.00 7.19e-06 PDB 3HAK "Human Prion Protein Variant V129" 100.00 103 100.00 100.00 2.63e-06 PDB 3HER "Human Prion Protein Variant F198s With V129" 100.00 142 100.00 100.00 8.02e-06 PDB 3HES "Human Prion Protein Variant F198s With M129" 100.00 142 100.00 100.00 6.92e-06 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 100.00 142 100.00 100.00 7.19e-06 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 100.00 111 100.00 100.00 9.14e-06 PDB 4KML "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" 100.00 241 100.00 100.00 2.34e-07 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 100.00 114 100.00 100.00 5.01e-06 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 100.00 114 100.00 100.00 5.01e-06 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 100.00 142 100.00 100.00 5.57e-06 PDB 4YXL "Crystal Structure Of Syrian Hamster Prion Protein Complexed With Pom1 Fab" 100.00 166 100.00 100.00 5.19e-05 DBJ BAA00011 "prion protein [Homo sapiens]" 100.00 245 100.00 100.00 1.88e-07 DBJ BAA08790 "prion protein [Rattus norvegicus]" 100.00 254 100.00 100.00 2.11e-07 DBJ BAD51981 "prion protein [Macaca fascicularis]" 100.00 253 100.00 100.00 2.08e-07 DBJ BAE28320 "unnamed protein product [Mus musculus]" 100.00 254 100.00 100.00 2.11e-07 DBJ BAE28693 "unnamed protein product [Mus musculus]" 100.00 254 100.00 100.00 2.11e-07 EMBL CAA58442 "prion protein [Homo sapiens]" 100.00 245 100.00 100.00 1.88e-07 EMBL CAG46836 "PRNP [Homo sapiens]" 100.00 253 100.00 100.00 2.08e-07 EMBL CAG46869 "PRNP [Homo sapiens]" 100.00 253 100.00 100.00 2.08e-07 EMBL CAH92912 "hypothetical protein [Pongo abelii]" 100.00 253 100.00 100.00 2.08e-07 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 100.00 100.00 2.11e-07 GB AAA19664 "prion protein [Homo sapiens]" 100.00 245 100.00 100.00 1.88e-07 GB AAA37013 "prion protein [Cricetulus sp.]" 100.00 254 100.00 100.00 2.11e-07 GB AAA37014 "prion protein, partial [Cricetulus migratorius]" 100.00 254 100.00 100.00 2.11e-07 GB AAA37090 "scrapie prion, partial [Mesocricetus auratus]" 100.00 243 100.00 100.00 1.83e-07 GB AAA37091 "PrP 33-35-C protein precursor, partial [Mesocricetus auratus]" 100.00 254 100.00 100.00 2.11e-07 PIR B34759 "prion protein - golden hamster" 100.00 254 100.00 100.00 2.11e-07 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 100.00 253 100.00 100.00 2.08e-07 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 100.00 253 100.00 100.00 2.08e-07 REF NP_001040617 "major prion protein precursor [Macaca mulatta]" 100.00 253 100.00 100.00 2.08e-07 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 100.00 253 100.00 100.00 2.08e-07 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 100.00 253 100.00 100.00 2.08e-07 SP P04156 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" 100.00 253 100.00 100.00 2.08e-07 SP P04273 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 254 100.00 100.00 2.11e-07 SP P04925 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 254 100.00 100.00 2.11e-07 SP P13852 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 100.00 100.00 2.11e-07 SP P40245 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 239 100.00 100.00 1.74e-07 TPE CAJ43808 "TPA: prion protein PrP [Pongo abelii]" 100.00 253 100.00 100.00 2.08e-07 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HPRP173195 Human 9606 Eukaryota Metazoa Homo sapiens 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 $HPRP173195 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details TRIFLUOROETHANOL-D2 loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HPRP173195 . mM 1 2 'natural abundance' TRIFLUOROETHANOL-D2 100 % . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address P.GUNTERT . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'B Johnson, One Moon Scientific' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample save_ save_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label $sample save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample save_ save_15N-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . pH pressure 1.0 . atm temperature 300.0 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label water H 1 protons ppm 5.0 internal direct . . . 1.0 $citations $citations 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 NOESY COSY TOCSY 15N-HSQC stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'prion protein fragment, alpha-2 helix' _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 1 1 ASN H H 7.05 0.01 . 2 1 1 ASN HA H 4.51 0.01 . 3 1 1 ASN HB2 H 2.70 0.01 2 4 1 1 ASN HB3 H 2.60 0.01 2 5 1 1 ASN HD21 H 6.68 0.01 2 6 1 1 ASN HD22 H 6.07 0.01 2 7 2 2 ASN H H 7.74 0.01 . 8 2 2 ASN HA H 4.31 0.01 . 9 2 2 ASN HB3 H 2.56 0.01 . 10 2 2 ASN HD21 H 6.65 0.01 2 11 2 2 ASN HD22 H 5.76 0.01 2 12 3 3 PHE H H 7.45 0.01 . 13 3 3 PHE HA H 4.24 0.01 . 14 3 3 PHE HB3 H 2.98 0.01 1 15 4 4 VAL H H 7.44 0.01 . 16 4 4 VAL HA H 3.38 0.01 . 17 4 4 VAL HB H 1.91 0.01 . 18 4 4 VAL HG1 H 0.75 0.01 1 19 4 4 VAL HG2 H 0.90 0.01 1 20 5 5 HIS H H 7.88 0.01 . 21 5 5 HIS HA H 4.00 0.01 . 22 5 5 HIS HB2 H 3.07 0.01 2 23 5 5 HIS HB3 H 3.13 0.01 2 24 5 5 HIS HD2 H 7.08 0.01 . 25 5 5 HIS HE1 H 8.14 0.01 . 26 6 6 ASP H H 8.21 0.01 . 27 6 6 ASP HA H 4.23 0.01 . 28 6 6 ASP HB2 H 2.66 0.01 2 29 6 6 ASP HB3 H 3.09 0.01 2 30 7 7 CYS H H 8.00 0.01 . 31 7 7 CYS HA H 3.86 0.01 . 32 7 7 CYS HB2 H 2.89 0.01 2 33 7 7 CYS HB3 H 2.52 0.01 2 34 8 8 VAL H H 8.29 0.01 . 35 8 8 VAL HA H 3.36 0.01 . 36 8 8 VAL HB H 1.98 0.01 . 37 8 8 VAL HG1 H 0.77 0.01 1 38 8 8 VAL HG2 H 0.87 0.01 1 39 9 9 ASN H H 7.91 0.01 . 40 9 9 ASN HA H 4.20 0.01 . 41 9 9 ASN HB2 H 2.58 0.01 2 42 9 9 ASN HB3 H 2.81 0.01 2 43 9 9 ASN HD21 H 6.80 0.01 2 44 9 9 ASN HD22 H 5.66 0.01 2 45 10 10 ILE H H 8.34 0.01 . 46 10 10 ILE HA H 3.54 0.01 . 47 10 10 ILE HB H 1.76 0.01 . 48 11 11 THR H H 7.96 0.01 . 49 11 11 THR HA H 3.88 0.01 . 50 11 11 THR HB H 4.31 0.01 . 51 11 11 THR HG2 H 1.10 0.01 1 52 12 12 ILE H H 8.55 0.01 . 53 12 12 ILE HA H 3.56 0.01 . 54 12 12 ILE HB H 1.86 0.01 . 55 13 13 LYS H H 8.46 0.01 . 56 13 13 LYS HA H 3.80 0.01 . 57 13 13 LYS HB3 H 1.88 0.01 1 58 13 13 LYS HG3 H 1.26 0.01 1 59 13 13 LYS HD3 H 1.49 0.01 1 60 13 13 LYS HE3 H 2.77 0.01 1 61 14 14 GLN H H 9.04 0.01 . 62 14 14 GLN HA H 3.86 0.01 . 63 14 14 GLN HB2 H 1.98 0.01 2 64 14 14 GLN HB3 H 2.16 0.01 2 65 14 14 GLN HG2 H 1.98 0.01 2 66 14 14 GLN HG3 H 2.46 0.01 2 67 14 14 GLN HE21 H 6.37 0.01 2 68 14 14 GLN HE22 H 5.65 0.01 2 69 15 15 HIS H H 8.56 0.01 . 70 15 15 HIS HA H 4.04 0.01 . 71 15 15 HIS HB3 H 3.23 0.01 1 72 15 15 HIS HD2 H 7.08 0.01 . 73 15 15 HIS HE1 H 8.20 0.01 . 74 16 16 THR H H 8.52 0.01 . 75 16 16 THR HA H 3.82 0.01 . 76 16 16 THR HB H 4.31 0.01 . 77 16 16 THR HG2 H 1.11 0.01 1 78 17 17 VAL H H 8.74 0.01 . 79 17 17 VAL HA H 3.52 0.01 . 80 17 17 VAL HB H 1.98 0.01 . 81 17 17 VAL HG1 H 0.79 0.01 1 82 17 17 VAL HG2 H 0.93 0.01 1 83 18 18 THR H H 7.91 0.01 . 84 18 18 THR HA H 3.68 0.01 . 85 18 18 THR HB H 3.99 0.01 . 86 18 18 THR HG2 H 1.08 0.01 1 87 19 19 THR H H 7.65 0.01 . 88 19 19 THR HA H 3.78 0.01 . 89 19 19 THR HG2 H 1.06 0.01 1 90 20 20 THR H H 7.82 0.01 . 91 20 20 THR HA H 3.90 0.01 . 92 20 20 THR HB H 4.14 0.01 . 93 20 20 THR HG2 H 1.15 0.01 1 94 21 21 THR H H 7.62 0.01 . 95 21 21 THR HA H 4.16 0.01 . 96 21 21 THR HB H 4.56 0.01 . 97 21 21 THR HG2 H 1.17 0.01 1 98 22 22 LYS H H 7.62 0.01 . 99 22 22 LYS HA H 4.09 0.01 . 100 22 22 LYS HB3 H 1.85 0.01 1 101 22 22 LYS HG3 H 1.29 0.01 1 102 22 22 LYS HD3 H 1.52 0.01 1 103 22 22 LYS HE3 H 2.85 0.01 1 104 22 22 LYS HZ H 6.93 0.01 1 105 23 23 GLY H H 7.69 0.01 . 106 23 23 GLY HA2 H 3.87 0.01 2 107 23 23 GLY HA3 H 3.58 0.01 2 stop_ save_