data_17765 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Identification of the key regions that drive functional amyloid formation by the fungal hydrophobin EAS ; _BMRB_accession_number 17765 _BMRB_flat_file_name bmr17765.str _Entry_type original _Submission_date 2011-07-06 _Accession_date 2011-07-06 _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 Macindoe Ingrid . . 2 Kwan Ann H. . 3 Morris Vanessa K. . 4 Mackay Joel P. . 5 Sunde Margie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 338 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 udpate BMRB 'update entry citation' 2012-02-15 udpate BMRB 'update entry citation' 2012-01-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Self-assembly of functional, amphipathic amyloid monolayers by the fungal hydrophobin EAS.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22308366 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macindoe Ingrid . . 2 Kwan Ann H. . 3 Ren Qin . . 4 Morris Vanessa K. . 5 Yang Wenrong . . 6 Mackay Joel P. . 7 Sunde Margaret . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 109 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E804 _Page_last E811 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EAS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EAS $EAS 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_EAS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 6728.595 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; SATTIGPNTCSIDDYKPYCC QSMSGSASLGCVVGVIGSQC GASVKCCKDDVTNTGNSGLI INAANCVA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 ALA 3 3 THR 4 4 THR 5 5 ILE 6 6 GLY 7 7 PRO 8 8 ASN 9 9 THR 10 10 CYS 11 11 SER 12 12 ILE 13 13 ASP 14 14 ASP 15 15 TYR 16 16 LYS 17 17 PRO 18 18 TYR 19 19 CYS 20 20 CYS 21 21 GLN 22 22 SER 23 23 MET 24 24 SER 25 25 GLY 26 26 SER 27 27 ALA 28 28 SER 29 29 LEU 30 30 GLY 31 31 CYS 32 32 VAL 33 33 VAL 34 34 GLY 35 35 VAL 36 36 ILE 37 37 GLY 38 38 SER 39 39 GLN 40 40 CYS 41 41 GLY 42 42 ALA 43 43 SER 44 44 VAL 45 45 LYS 46 46 CYS 47 47 CYS 48 48 LYS 49 49 ASP 50 50 ASP 51 51 VAL 52 52 THR 53 53 ASN 54 54 THR 55 55 GLY 56 56 ASN 57 57 SER 58 58 GLY 59 59 LEU 60 60 ILE 61 61 ILE 62 62 ASN 63 63 ALA 64 64 ALA 65 65 ASN 66 66 CYS 67 67 VAL 68 68 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 15863 EAS_D15 100.00 68 98.53 98.53 3.67e-37 PDB 2K6A "Solution Structure Of Eas D15 Truncation Mutant" 100.00 68 98.53 98.53 3.67e-37 PDB 2LFN "Identification Of The Key Regions That Drive Functional Amyloid Formation By The Fungal Hydrophobin Eas" 100.00 68 100.00 100.00 4.23e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $EAS 'Neurospora crassa' 5141 Eukaryota Fungi Neurospora crassa eas 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 $EAS 'recombinant technology' . Escherichia coli . pHUE 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EAS 890 uM . . 'natural abundance' D2O 5 % . . 'natural abundance' H2O 95 % . . 'natural abundance' DSS . uM 20 34 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EAS 280 uM . . '[U-98% 15N]' D2O 5 % . . 'natural abundance' H2O 95 % . . 'natural abundance' DSS . uM 20 34 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version v1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version v1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' 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_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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' 20 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' 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 EAS _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 SER HA H 4.091 0.002 1 2 2 2 ALA H H 8.617 0.001 1 3 2 2 ALA HA H 4.562 0.003 1 4 2 2 ALA HB H 1.224 0.003 1 5 3 3 THR H H 8.142 0.001 1 6 3 3 THR HA H 4.394 0.003 1 7 3 3 THR HB H 3.932 0.002 1 8 3 3 THR HG2 H 1.125 0.003 1 9 4 4 THR H H 8.659 0.001 1 10 4 4 THR HA H 4.615 0.003 1 11 4 4 THR HB H 3.859 0.003 1 12 4 4 THR HG2 H 0.955 0.002 1 13 5 5 ILE H H 8.634 0.003 1 14 5 5 ILE HA H 3.832 0.002 1 15 5 5 ILE HB H 1.958 0.002 1 16 5 5 ILE HG12 H 1.373 0.003 1 17 5 5 ILE HG13 H 1.034 0.003 1 18 5 5 ILE HG2 H 0.636 0.005 1 19 5 5 ILE HD1 H 0.604 0.005 1 20 6 6 GLY H H 8.828 0.003 1 21 6 6 GLY HA2 H 3.947 0.002 1 22 6 6 GLY HA3 H 4.648 0.002 1 23 7 7 PRO HA H 4.254 0.002 1 24 7 7 PRO HB2 H 1.892 0.002 1 25 7 7 PRO HB3 H 2.292 0.001 1 26 7 7 PRO HG2 H 1.974 0.002 1 27 7 7 PRO HG3 H 1.974 0.002 1 28 7 7 PRO HD2 H 3.479 0.003 1 29 7 7 PRO HD3 H 3.685 0.001 1 30 8 8 ASN H H 8.536 0.002 1 31 8 8 ASN HA H 4.846 0.001 1 32 8 8 ASN HB2 H 2.593 0.002 1 33 8 8 ASN HB3 H 2.864 0.001 1 34 8 8 ASN HD21 H 6.851 0.002 1 35 8 8 ASN HD22 H 7.505 0.001 1 36 9 9 THR H H 7.559 0.002 1 37 9 9 THR HA H 3.758 0.002 1 38 9 9 THR HB H 3.914 0.004 1 39 9 9 THR HG2 H 1.215 0.002 1 40 10 10 CYS H H 8.554 0.003 1 41 10 10 CYS HA H 4.897 0.003 1 42 10 10 CYS HB2 H 2.593 0.004 1 43 10 10 CYS HB3 H 2.957 0.003 1 44 11 11 SER H H 8.488 0.003 1 45 11 11 SER HA H 4.441 0.002 1 46 11 11 SER HB2 H 3.756 0.006 1 47 11 11 SER HB3 H 3.861 0.003 1 48 12 12 ILE H H 7.392 0.003 1 49 12 12 ILE HA H 4.126 0.003 1 50 12 12 ILE HB H 1.268 0.002 1 51 12 12 ILE HG12 H 0.848 0.002 1 52 12 12 ILE HG13 H 1.241 0.002 1 53 12 12 ILE HG2 H 0.797 0.004 1 54 12 12 ILE HD1 H 0.457 0.003 1 55 13 13 ASP H H 8.694 0.004 1 56 13 13 ASP HA H 4.361 0.002 1 57 13 13 ASP HB2 H 2.746 0.002 1 58 13 13 ASP HB3 H 2.746 0.002 1 59 14 14 ASP H H 8.640 0.002 1 60 14 14 ASP HA H 4.373 0.001 1 61 14 14 ASP HB2 H 2.934 0.005 1 62 14 14 ASP HB3 H 2.972 0.002 1 63 15 15 TYR H H 7.970 0.003 1 64 15 15 TYR HA H 4.639 0.002 1 65 15 15 TYR HB2 H 2.392 0.003 1 66 15 15 TYR HB3 H 3.099 0.006 1 67 15 15 TYR HD1 H 6.880 0.002 3 68 15 15 TYR HD2 H 6.880 0.002 3 69 15 15 TYR HE1 H 6.670 0.002 3 70 15 15 TYR HE2 H 6.670 0.002 3 71 16 16 LYS H H 8.655 0.003 1 72 16 16 LYS HA H 4.794 0.003 1 73 16 16 LYS HB2 H 1.744 0.003 1 74 16 16 LYS HB3 H 1.744 0.003 1 75 16 16 LYS HG2 H 1.358 0.006 1 76 16 16 LYS HG3 H 1.632 0.004 1 77 16 16 LYS HD2 H 1.574 0.001 1 78 16 16 LYS HD3 H 1.574 0.001 1 79 16 16 LYS HE2 H 2.908 0.004 1 80 16 16 LYS HE3 H 2.908 0.004 1 81 16 16 LYS HZ H 7.449 0.003 1 82 17 17 PRO HA H 5.205 0.002 1 83 17 17 PRO HB2 H 1.940 0.003 1 84 17 17 PRO HB3 H 1.888 0.002 1 85 17 17 PRO HG2 H 2.169 0.002 1 86 17 17 PRO HG3 H 1.613 0.004 1 87 17 17 PRO HD2 H 3.566 0.003 1 88 17 17 PRO HD3 H 3.648 0.002 1 89 18 18 TYR H H 9.475 0.003 1 90 18 18 TYR HA H 4.653 0.002 1 91 18 18 TYR HB2 H 2.569 0.003 1 92 18 18 TYR HB3 H 2.706 0.004 1 93 18 18 TYR HD1 H 6.730 0.002 3 94 18 18 TYR HD2 H 6.730 0.002 3 95 18 18 TYR HE1 H 6.524 0.003 3 96 18 18 TYR HE2 H 6.524 0.003 3 97 19 19 CYS H H 9.004 0.004 1 98 19 19 CYS HA H 5.358 0.002 1 99 19 19 CYS HB2 H 2.720 0.004 1 100 19 19 CYS HB3 H 3.009 0.003 1 101 20 20 CYS H H 9.838 0.002 1 102 20 20 CYS HA H 5.597 0.001 1 103 20 20 CYS HB2 H 2.708 0.006 1 104 20 20 CYS HB3 H 2.833 0.005 1 105 21 21 GLN H H 8.900 0.003 1 106 21 21 GLN HA H 4.620 0.004 1 107 21 21 GLN HB2 H 1.997 0.002 1 108 21 21 GLN HB3 H 2.096 0.004 1 109 21 21 GLN HG2 H 2.381 0.003 1 110 21 21 GLN HG3 H 2.381 0.003 1 111 21 21 GLN HE21 H 6.801 0.003 1 112 21 21 GLN HE22 H 7.474 0.003 1 113 22 22 SER H H 8.529 0.001 1 114 22 22 SER HA H 4.461 0.003 1 115 22 22 SER HB2 H 3.785 0.003 1 116 22 22 SER HB3 H 3.785 0.003 1 117 23 23 MET H H 8.566 0.002 1 118 23 23 MET HA H 4.632 0.001 1 119 23 23 MET HB2 H 1.845 0.002 1 120 23 23 MET HB3 H 2.009 0.001 1 121 23 23 MET HG2 H 2.420 0.002 1 122 23 23 MET HG3 H 2.420 0.002 1 123 23 23 MET HE H 0.686 0.006 1 124 24 24 SER H H 8.534 0.002 1 125 24 24 SER HA H 4.254 0.001 1 126 24 24 SER HB2 H 3.782 0.005 1 127 24 24 SER HB3 H 3.782 0.005 1 128 25 25 GLY H H 8.729 0.001 1 129 25 25 GLY HA2 H 3.760 0.010 1 130 25 25 GLY HA3 H 4.028 0.001 1 131 26 26 SER H H 7.873 0.004 1 132 26 26 SER HA H 4.575 0.003 1 133 26 26 SER HB2 H 3.850 0.002 1 134 26 26 SER HB3 H 3.695 0.003 1 135 27 27 ALA H H 8.435 0.003 1 136 27 27 ALA HA H 4.487 0.002 1 137 27 27 ALA HB H 1.383 0.004 1 138 28 28 SER H H 8.134 0.005 1 139 28 28 SER HA H 4.650 0.001 1 140 28 28 SER HB2 H 3.596 0.003 1 141 28 28 SER HB3 H 3.633 0.005 1 142 29 29 LEU H H 8.763 0.004 1 143 29 29 LEU HA H 4.635 0.001 1 144 29 29 LEU HB2 H 1.697 0.001 1 145 29 29 LEU HB3 H 1.697 0.001 1 146 29 29 LEU HG H 1.492 0.002 1 147 29 29 LEU HD1 H 0.702 0.003 1 148 29 29 LEU HD2 H 1.179 0.004 1 149 30 30 GLY H H 8.580 0.001 1 150 30 30 GLY HA2 H 3.546 0.003 1 151 30 30 GLY HA3 H 4.595 0.003 1 152 31 31 CYS H H 8.786 0.002 1 153 31 31 CYS HA H 5.662 0.004 1 154 31 31 CYS HB2 H 2.635 0.003 1 155 31 31 CYS HB3 H 2.833 0.002 1 156 32 32 VAL H H 8.361 0.004 1 157 32 32 VAL HA H 4.724 0.001 1 158 32 32 VAL HB H 2.179 0.003 1 159 32 32 VAL HG1 H 0.894 0.004 1 160 32 32 VAL HG2 H 0.989 0.008 1 161 33 33 VAL H H 8.635 0.003 1 162 33 33 VAL HA H 3.370 0.001 1 163 33 33 VAL HB H 1.828 0.003 1 164 33 33 VAL HG1 H 0.747 0.003 1 165 33 33 VAL HG2 H 0.907 0.002 1 166 34 34 GLY H H 8.088 0.003 1 167 34 34 GLY HA2 H 2.738 0.002 1 168 34 34 GLY HA3 H 4.044 0.003 1 169 35 35 VAL H H 7.785 0.003 1 170 35 35 VAL HA H 3.925 0.002 1 171 35 35 VAL HB H 1.835 0.002 1 172 35 35 VAL HG1 H 0.846 0.002 1 173 35 35 VAL HG2 H 0.871 0.002 1 174 36 36 ILE H H 8.614 0.002 1 175 36 36 ILE HA H 3.360 0.003 1 176 36 36 ILE HB H 1.736 0.003 1 177 36 36 ILE HG12 H 0.743 0.003 1 178 36 36 ILE HG13 H 0.991 0.003 1 179 36 36 ILE HG2 H 0.803 0.003 1 180 36 36 ILE HD1 H 1.505 0.003 1 181 37 37 GLY H H 9.037 0.002 1 182 37 37 GLY HA2 H 3.527 0.003 1 183 37 37 GLY HA3 H 4.343 0.005 1 184 38 38 SER H H 8.150 0.002 1 185 38 38 SER HA H 4.495 0.001 1 186 38 38 SER HB2 H 3.801 0.004 1 187 38 38 SER HB3 H 3.937 0.002 1 188 39 39 GLN H H 8.429 0.002 1 189 39 39 GLN HA H 4.825 0.004 1 190 39 39 GLN HB2 H 1.699 0.005 1 191 39 39 GLN HB3 H 1.868 0.004 1 192 39 39 GLN HG2 H 2.155 0.005 1 193 39 39 GLN HG3 H 2.242 0.006 1 194 39 39 GLN HE21 H 6.694 0.002 1 195 39 39 GLN HE22 H 7.318 0.001 1 196 40 40 CYS H H 8.974 0.004 1 197 40 40 CYS HA H 4.987 0.004 1 198 40 40 CYS HB2 H 2.561 0.003 1 199 40 40 CYS HB3 H 2.926 0.002 1 200 41 41 GLY H H 9.375 0.002 1 201 41 41 GLY HA2 H 3.669 0.003 1 202 41 41 GLY HA3 H 4.325 0.003 1 203 42 42 ALA H H 7.131 0.003 1 204 42 42 ALA HA H 4.658 0.003 1 205 42 42 ALA HB H 1.323 0.001 1 206 43 43 SER H H 8.325 0.001 1 207 43 43 SER HA H 4.748 0.002 1 208 43 43 SER HB2 H 3.688 0.002 1 209 43 43 SER HB3 H 3.688 0.002 1 210 44 44 VAL H H 8.784 0.001 1 211 44 44 VAL HA H 4.652 0.001 1 212 44 44 VAL HB H 1.970 0.001 1 213 44 44 VAL HG1 H 0.760 0.004 1 214 44 44 VAL HG2 H 0.832 0.004 1 215 45 45 LYS H H 9.015 0.004 1 216 45 45 LYS HA H 4.821 0.001 1 217 45 45 LYS HB2 H 1.685 0.003 1 218 45 45 LYS HB3 H 1.685 0.003 1 219 45 45 LYS HG2 H 1.179 0.001 1 220 45 45 LYS HG3 H 1.218 0.002 1 221 45 45 LYS HD2 H 1.462 0.003 1 222 45 45 LYS HD3 H 1.633 0.002 1 223 45 45 LYS HE2 H 2.628 0.005 1 224 45 45 LYS HE3 H 2.823 0.002 1 225 45 45 LYS HZ H 7.578 0.003 1 226 46 46 CYS H H 8.943 0.003 1 227 46 46 CYS HA H 5.493 0.003 1 228 46 46 CYS HB2 H 2.731 0.005 1 229 46 46 CYS HB3 H 2.865 0.004 1 230 47 47 CYS H H 9.513 0.002 1 231 47 47 CYS HA H 5.677 0.002 1 232 47 47 CYS HB2 H 2.567 0.006 1 233 47 47 CYS HB3 H 2.982 0.004 1 234 48 48 LYS H H 8.226 0.002 1 235 48 48 LYS HA H 4.020 0.003 1 236 48 48 LYS HB2 H 1.402 0.005 1 237 48 48 LYS HB3 H 1.402 0.005 1 238 48 48 LYS HG2 H 0.987 0.003 1 239 48 48 LYS HG3 H 1.018 0.002 1 240 48 48 LYS HD2 H 1.400 0.002 1 241 48 48 LYS HD3 H 1.400 0.002 1 242 48 48 LYS HE2 H 2.816 0.002 1 243 48 48 LYS HE3 H 2.942 0.005 1 244 48 48 LYS HZ H 7.449 0.001 1 245 49 49 ASP H H 8.375 0.002 1 246 49 49 ASP HA H 4.570 0.005 1 247 49 49 ASP HB2 H 2.568 0.003 1 248 49 49 ASP HB3 H 2.727 0.001 1 249 50 50 ASP H H 8.306 0.002 1 250 50 50 ASP HA H 4.719 0.001 1 251 50 50 ASP HB2 H 2.699 0.002 1 252 50 50 ASP HB3 H 2.783 0.001 1 253 51 51 VAL H H 7.790 0.001 1 254 51 51 VAL HA H 4.196 0.003 1 255 51 51 VAL HB H 2.046 0.003 1 256 51 51 VAL HG1 H 0.820 0.004 1 257 51 51 VAL HG2 H 0.820 0.004 1 258 52 52 THR H H 8.194 0.002 1 259 52 52 THR HA H 4.322 0.003 1 260 52 52 THR HB H 4.124 0.006 1 261 52 52 THR HG2 H 1.116 0.004 1 262 53 53 ASN H H 8.364 0.001 1 263 53 53 ASN HA H 4.777 0.005 1 264 53 53 ASN HB2 H 2.708 0.005 1 265 53 53 ASN HB3 H 2.820 0.006 1 266 53 53 ASN HD21 H 6.829 0.003 1 267 53 53 ASN HD22 H 7.525 0.003 1 268 54 54 THR H H 8.201 0.003 1 269 54 54 THR HA H 4.340 0.001 1 270 54 54 THR HB H 4.237 0.004 1 271 54 54 THR HG2 H 1.122 0.001 1 272 55 55 GLY H H 8.354 0.001 1 273 55 55 GLY HA2 H 3.927 0.001 1 274 55 55 GLY HA3 H 3.982 0.002 1 275 56 56 ASN H H 8.397 0.002 1 276 56 56 ASN HA H 4.729 0.005 1 277 56 56 ASN HB2 H 2.758 0.001 1 278 56 56 ASN HB3 H 2.842 0.001 1 279 56 56 ASN HD21 H 6.853 0.001 1 280 56 56 ASN HD22 H 7.530 0.002 1 281 57 57 SER H H 8.205 0.002 1 282 57 57 SER HA H 4.485 0.004 1 283 57 57 SER HB2 H 3.875 0.002 1 284 57 57 SER HB3 H 3.875 0.002 1 285 58 58 GLY H H 8.144 0.002 1 286 58 58 GLY HA2 H 3.912 0.005 1 287 58 58 GLY HA3 H 4.005 0.001 1 288 59 59 LEU H H 8.460 0.002 1 289 59 59 LEU HA H 4.485 0.002 1 290 59 59 LEU HB2 H 1.378 0.002 1 291 59 59 LEU HB3 H 1.406 0.002 1 292 59 59 LEU HG H 1.475 0.002 1 293 59 59 LEU HD1 H 0.745 0.003 1 294 59 59 LEU HD2 H 0.781 0.006 1 295 60 60 ILE H H 8.195 0.003 1 296 60 60 ILE HA H 4.794 0.001 1 297 60 60 ILE HB H 1.657 0.002 1 298 60 60 ILE HG12 H 1.418 0.002 1 299 60 60 ILE HG13 H 1.030 0.005 1 300 60 60 ILE HG2 H 0.700 0.001 1 301 60 60 ILE HD1 H 0.699 0.001 1 302 61 61 ILE H H 8.802 0.002 1 303 61 61 ILE HA H 4.151 0.002 1 304 61 61 ILE HB H 1.415 0.003 1 305 61 61 ILE HG12 H 0.597 0.004 1 306 61 61 ILE HG13 H 0.978 0.003 1 307 61 61 ILE HG2 H 0.662 0.004 1 308 61 61 ILE HD1 H -0.024 0.002 1 309 62 62 ASN H H 8.607 0.003 1 310 62 62 ASN HA H 4.617 0.001 1 311 62 62 ASN HB2 H 2.676 0.003 1 312 62 62 ASN HB3 H 2.730 0.004 1 313 62 62 ASN HD21 H 7.026 0.004 1 314 62 62 ASN HD22 H 7.367 0.002 1 315 63 63 ALA H H 8.735 0.004 1 316 63 63 ALA HA H 3.772 0.002 1 317 63 63 ALA HB H 1.323 0.004 1 318 64 64 ALA H H 8.354 0.002 1 319 64 64 ALA HA H 4.211 0.003 1 320 64 64 ALA HB H 1.319 0.004 1 321 65 65 ASN H H 8.151 0.003 1 322 65 65 ASN HA H 4.849 0.001 1 323 65 65 ASN HB2 H 2.783 0.002 1 324 65 65 ASN HB3 H 3.149 0.003 1 325 65 65 ASN HD21 H 7.027 0.003 1 326 65 65 ASN HD22 H 7.366 0.002 1 327 66 66 CYS H H 7.698 0.002 1 328 66 66 CYS HA H 5.624 0.004 1 329 66 66 CYS HB2 H 2.873 0.001 1 330 66 66 CYS HB3 H 2.942 0.005 1 331 67 67 VAL H H 8.742 0.003 1 332 67 67 VAL HA H 4.248 0.003 1 333 67 67 VAL HB H 2.058 0.002 1 334 67 67 VAL HG1 H 0.648 0.004 1 335 67 67 VAL HG2 H 0.800 0.003 1 336 68 68 ALA H H 8.386 0.003 1 337 68 68 ALA HA H 4.216 0.003 1 338 68 68 ALA HB H 1.357 0.002 1 stop_ save_