data_19576 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignment of FAPP1 PH domain in the presence of 10% (w/v) DMPC/DHPC (q=0.25), and in the presence of 10% (w/v) DMPC/DHPC (q=0.25) plus 8mM PI4P ; _BMRB_accession_number 19576 _BMRB_flat_file_name bmr19576.str _Entry_type original _Submission_date 2013-10-23 _Accession_date 2013-10-23 _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 Prestegard James . . 2 Liu Yizhou . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 191 "13C chemical shifts" 449 "15N chemical shifts" 191 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-24 update BMRB 'update entry citation' 2014-02-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Interaction of Fapp1 with Arf1 and PI4P at a membrane surface: an example of coincidence detection.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24462251 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Yizhou . . 2 Kahn Richard A. . 3 Prestegard James H. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 22 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 421 _Page_last 430 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FAPP1 PH domain monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FAPP1 PH domain' $FAPP1 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_FAPP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FAPP1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; MEGVLYKWTNYLTGWQPRWF VLDNGILSYYDSQDDVCKGS KGSIKMAVCEIKVHSADNTR MELIIPGEQHFYMKAVNAAE RQRWLVALGSSKACLTDTLE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLY 4 VAL 5 LEU 6 TYR 7 LYS 8 TRP 9 THR 10 ASN 11 TYR 12 LEU 13 THR 14 GLY 15 TRP 16 GLN 17 PRO 18 ARG 19 TRP 20 PHE 21 VAL 22 LEU 23 ASP 24 ASN 25 GLY 26 ILE 27 LEU 28 SER 29 TYR 30 TYR 31 ASP 32 SER 33 GLN 34 ASP 35 ASP 36 VAL 37 CYS 38 LYS 39 GLY 40 SER 41 LYS 42 GLY 43 SER 44 ILE 45 LYS 46 MET 47 ALA 48 VAL 49 CYS 50 GLU 51 ILE 52 LYS 53 VAL 54 HIS 55 SER 56 ALA 57 ASP 58 ASN 59 THR 60 ARG 61 MET 62 GLU 63 LEU 64 ILE 65 ILE 66 PRO 67 GLY 68 GLU 69 GLN 70 HIS 71 PHE 72 TYR 73 MET 74 LYS 75 ALA 76 VAL 77 ASN 78 ALA 79 ALA 80 GLU 81 ARG 82 GLN 83 ARG 84 TRP 85 LEU 86 VAL 87 ALA 88 LEU 89 GLY 90 SER 91 SER 92 LYS 93 ALA 94 CYS 95 LEU 96 THR 97 ASP 98 THR 99 LEU 100 GLU 101 HIS 102 HIS 103 HIS 104 HIS 105 HIS 106 HIS 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 BMRB 16082 FAPP1-PH 92.45 108 98.98 98.98 7.78e-66 BMRB 19508 entity 92.45 108 100.00 100.00 6.13e-67 PDB 2KCJ "Solution Structure Of Fapp1 Ph Domain" 92.45 108 98.98 98.98 7.78e-66 PDB 2MDX "Solution Structure Of The Human Wild Type Fapp1-ph Domain" 92.45 108 100.00 100.00 6.13e-67 DBJ BAG37067 "unnamed protein product [Homo sapiens]" 92.45 300 100.00 100.00 4.50e-67 GB AAG15199 "Phosphoinositol 4-phosphate Adaptor Protein-1 [Homo sapiens]" 92.45 300 100.00 100.00 4.26e-67 GB AAG15200 "Phosphoinositol 4-phosphate Adaptor Protein-1 [Mus musculus]" 92.45 297 98.98 98.98 1.61e-66 GB AAH31110 "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Mus musculus]" 92.45 297 98.98 98.98 1.61e-66 GB AAH44567 "Pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Homo sapiens]" 92.45 300 100.00 100.00 4.50e-67 GB AAH83759 "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Rattus norvegicus]" 92.45 299 100.00 100.00 5.42e-67 REF NP_001013095 "pleckstrin homology domain-containing family A member 3 [Rattus norvegicus]" 92.45 299 100.00 100.00 5.42e-67 REF NP_001095383 "pleckstrin homology domain-containing family A member 3 [Bos taurus]" 92.45 300 100.00 100.00 5.46e-67 REF NP_001230393 "pleckstrin homology domain-containing family A member 3 [Sus scrofa]" 92.45 300 100.00 100.00 4.80e-67 REF NP_061964 "pleckstrin homology domain-containing family A member 3 [Homo sapiens]" 92.45 300 100.00 100.00 4.50e-67 REF NP_112546 "pleckstrin homology domain-containing family A member 3 [Mus musculus]" 92.45 297 98.98 98.98 1.61e-66 SP Q9ERS4 "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" 92.45 297 98.98 98.98 1.61e-66 SP Q9HB20 "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" 92.45 300 100.00 100.00 4.50e-67 TPG DAA32821 "TPA: pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Bos taurus]" 92.45 300 100.00 100.00 4.85e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FAPP1 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 $FAPP1 'recombinant technology' . Escherichia coli . pET20(b) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'w/ 10% (w/v) DMPC/DHPC (q=0.25)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FAPP1 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' DMPC/DHPC 10 '% (w/v)' 'natural abundance' K2HPO4-KH2PO4 10 mM 'natural abundance' NaCl 50 mM 'natural abundance' K2SO4 10 mM 'natural abundance' MgCl2 2 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'w/ 10% (w/v) DMPC/DHPC (q=0.25) and 8mM Pi4P' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FAPP1 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' DMPC/DHPC 10 '% (w/v)' 'natural abundance' Pi4P 8 mM 'natural abundance' K2HPO4-KH2PO4 10 mM 'natural abundance' NaCl 50 mM 'natural abundance' K2SO4 10 mM 'natural abundance' MgCl2 2 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.1 . M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.74 internal indirect . . . 0.251449530 water H 1 protons ppm 4.74 internal direct . . . 1 water N 15 protons ppm 4.74 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_FAPP1_with_DMPC-DHPC _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' 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 'FAPP1 PH domain' _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 2 2 GLU C C 174.638 0.000 1 2 2 2 GLU CA C 53.544 0.000 1 3 2 2 GLU CB C 32.185 0.000 1 4 3 3 GLY H H 7.941 0.005 1 5 3 3 GLY C C 170.916 0.000 1 6 3 3 GLY CA C 44.747 0.006 1 7 3 3 GLY N N 108.124 0.053 1 8 4 4 VAL H H 8.419 0.000 1 9 4 4 VAL C C 177.740 0.000 1 10 4 4 VAL CA C 61.769 0.001 1 11 4 4 VAL CB C 32.333 0.002 1 12 4 4 VAL N N 119.852 0.017 1 13 5 5 LEU H H 8.605 0.001 1 14 5 5 LEU C C 175.546 0.000 1 15 5 5 LEU CA C 53.795 0.011 1 16 5 5 LEU CB C 45.302 0.006 1 17 5 5 LEU N N 125.715 0.034 1 18 6 6 TYR H H 8.949 0.001 1 19 6 6 TYR C C 175.014 0.000 1 20 6 6 TYR CA C 57.312 0.002 1 21 6 6 TYR CB C 38.365 0.003 1 22 6 6 TYR N N 119.312 0.022 1 23 7 7 LYS H H 9.493 0.003 1 24 7 7 LYS C C 175.883 0.000 1 25 7 7 LYS CA C 53.483 0.049 1 26 7 7 LYS CB C 35.668 0.011 1 27 7 7 LYS N N 123.852 0.029 1 28 8 8 TRP H H 8.164 0.005 1 29 8 8 TRP HE1 H 10.018 0.000 1 30 8 8 TRP C C 175.821 0.000 1 31 8 8 TRP CA C 57.793 0.000 1 32 8 8 TRP CB C 28.336 0.000 1 33 8 8 TRP N N 127.394 0.034 1 34 8 8 TRP NE1 N 130.688 0.000 1 35 9 9 THR H H 6.402 0.012 1 36 9 9 THR C C 171.787 0.000 1 37 9 9 THR CA C 60.314 0.000 1 38 9 9 THR CB C 68.863 0.000 1 39 9 9 THR N N 121.163 0.012 1 40 10 10 ASN H H 7.386 0.004 1 41 10 10 ASN C C 174.053 0.000 1 42 10 10 ASN CA C 51.522 0.006 1 43 10 10 ASN CB C 38.764 0.080 1 44 10 10 ASN N N 115.524 0.048 1 45 11 11 TYR H H 8.516 0.008 1 46 11 11 TYR C C 174.820 0.000 1 47 11 11 TYR CA C 62.102 0.007 1 48 11 11 TYR CB C 37.883 0.006 1 49 11 11 TYR N N 114.770 0.022 1 50 12 12 LEU H H 8.198 0.004 1 51 12 12 LEU C C 177.733 0.000 1 52 12 12 LEU CA C 56.367 0.000 1 53 12 12 LEU CB C 41.240 0.000 1 54 12 12 LEU N N 116.491 0.027 1 55 13 13 THR H H 7.578 0.003 1 56 13 13 THR C C 176.036 0.000 1 57 13 13 THR CA C 61.490 0.000 1 58 13 13 THR CB C 68.629 0.121 1 59 13 13 THR N N 105.728 0.046 1 60 14 14 GLY H H 7.730 0.012 1 61 14 14 GLY C C 175.454 0.000 1 62 14 14 GLY CA C 45.727 0.005 1 63 14 14 GLY N N 110.315 0.030 1 64 15 15 TRP H H 9.002 0.001 1 65 15 15 TRP HE1 H 10.718 0.000 1 66 15 15 TRP C C 176.159 0.000 1 67 15 15 TRP CA C 56.439 0.012 1 68 15 15 TRP CB C 28.803 0.050 1 69 15 15 TRP N N 129.152 0.027 1 70 15 15 TRP NE1 N 132.405 0.000 1 71 16 16 GLN H H 8.827 0.006 1 72 16 16 GLN CA C 51.884 0.000 1 73 16 16 GLN CB C 30.667 0.000 1 74 16 16 GLN N N 122.401 0.021 1 75 17 17 PRO C C 176.934 0.000 1 76 17 17 PRO CA C 62.497 0.000 1 77 17 17 PRO CB C 30.587 0.000 1 78 18 18 ARG H H 8.977 0.003 1 79 18 18 ARG C C 172.959 0.000 1 80 18 18 ARG CA C 52.768 0.015 1 81 18 18 ARG CB C 33.189 0.014 1 82 18 18 ARG N N 123.726 0.030 1 83 19 19 TRP H H 8.329 0.002 1 84 19 19 TRP HE1 H 10.122 0.000 1 85 19 19 TRP C C 174.624 0.000 1 86 19 19 TRP CA C 55.729 0.000 1 87 19 19 TRP CB C 30.770 0.070 1 88 19 19 TRP N N 121.698 0.031 1 89 19 19 TRP NE1 N 129.121 0.000 1 90 20 20 PHE H H 8.873 0.004 1 91 20 20 PHE C C 174.734 0.000 1 92 20 20 PHE CA C 56.285 0.037 1 93 20 20 PHE CB C 42.398 0.001 1 94 20 20 PHE N N 127.854 0.038 1 95 21 21 VAL H H 8.949 0.004 1 96 21 21 VAL C C 174.717 0.000 1 97 21 21 VAL CA C 61.345 0.010 1 98 21 21 VAL CB C 35.513 0.008 1 99 21 21 VAL N N 117.576 0.021 1 100 22 22 LEU H H 9.152 0.004 1 101 22 22 LEU CA C 52.859 0.000 1 102 22 22 LEU CB C 44.442 0.000 1 103 22 22 LEU N N 130.078 0.012 1 104 23 23 ASP C C 175.885 0.000 1 105 24 24 ASN H H 9.115 0.000 1 106 24 24 ASN C C 174.804 0.000 1 107 24 24 ASN CA C 53.902 0.000 1 108 24 24 ASN CB C 37.176 0.000 1 109 24 24 ASN N N 125.377 0.000 1 110 25 25 GLY H H 8.677 0.002 1 111 25 25 GLY C C 173.247 0.000 1 112 25 25 GLY CA C 45.383 0.005 1 113 25 25 GLY N N 102.489 0.046 1 114 26 26 ILE H H 7.919 0.004 1 115 26 26 ILE C C 174.811 0.000 1 116 26 26 ILE CA C 59.143 0.289 1 117 26 26 ILE CB C 38.530 0.003 1 118 26 26 ILE N N 122.640 0.017 1 119 27 27 LEU H H 9.070 0.006 1 120 27 27 LEU C C 174.888 0.000 1 121 27 27 LEU CA C 52.882 0.002 1 122 27 27 LEU CB C 43.537 0.010 1 123 27 27 LEU N N 132.224 0.020 1 124 28 28 SER H H 9.427 0.004 1 125 28 28 SER C C 171.994 0.000 1 126 28 28 SER CA C 56.957 0.014 1 127 28 28 SER CB C 65.708 0.000 1 128 28 28 SER N N 123.142 0.028 1 129 29 29 TYR H H 7.539 0.006 1 130 29 29 TYR C C 172.360 0.000 1 131 29 29 TYR CA C 54.529 0.014 1 132 29 29 TYR CB C 39.470 0.008 1 133 29 29 TYR N N 116.555 0.037 1 134 30 30 TYR H H 8.966 0.004 1 135 30 30 TYR C C 175.664 0.000 1 136 30 30 TYR CA C 55.671 0.002 1 137 30 30 TYR CB C 42.556 0.000 1 138 30 30 TYR N N 117.843 0.039 1 139 31 31 ASP H H 9.417 0.004 1 140 31 31 ASP C C 176.272 0.000 1 141 31 31 ASP CA C 57.930 0.000 1 142 31 31 ASP CB C 39.883 0.007 1 143 31 31 ASP N N 122.080 0.037 1 144 32 32 SER H H 7.393 0.006 1 145 32 32 SER C C 173.707 0.000 1 146 32 32 SER CA C 56.871 0.008 1 147 32 32 SER CB C 65.223 0.070 1 148 32 32 SER N N 107.442 0.044 1 149 33 33 GLN H H 8.677 0.002 1 150 33 33 GLN C C 176.976 0.000 1 151 33 33 GLN CA C 57.701 0.003 1 152 33 33 GLN CB C 26.244 0.010 1 153 33 33 GLN N N 123.031 0.031 1 154 34 34 ASP H H 7.640 0.007 1 155 34 34 ASP C C 176.549 0.000 1 156 34 34 ASP CA C 55.338 0.004 1 157 34 34 ASP CB C 39.888 0.032 1 158 34 34 ASP N N 116.731 0.015 1 159 35 35 ASP H H 7.278 0.004 1 160 35 35 ASP C C 177.084 0.000 1 161 35 35 ASP CA C 54.291 0.022 1 162 35 35 ASP CB C 41.959 0.011 1 163 35 35 ASP N N 117.220 0.034 1 164 36 36 VAL H H 6.919 0.006 1 165 36 36 VAL C C 178.130 0.000 1 166 36 36 VAL CA C 64.762 0.020 1 167 36 36 VAL CB C 30.200 0.000 1 168 36 36 VAL N N 121.363 0.027 1 169 37 37 CYS H H 8.023 0.003 1 170 37 37 CYS C C 175.048 0.000 1 171 37 37 CYS CA C 58.808 0.010 1 172 37 37 CYS CB C 26.786 0.028 1 173 37 37 CYS N N 115.313 0.026 1 174 38 38 LYS H H 7.740 0.009 1 175 38 38 LYS C C 177.005 0.000 1 176 38 38 LYS CA C 56.433 0.007 1 177 38 38 LYS CB C 32.169 0.029 1 178 38 38 LYS N N 121.689 0.029 1 179 39 39 GLY H H 7.617 0.001 1 180 39 39 GLY C C 172.920 0.000 1 181 39 39 GLY CA C 43.745 0.007 1 182 39 39 GLY N N 107.238 0.045 1 183 40 40 SER H H 8.344 0.001 1 184 40 40 SER C C 175.128 0.000 1 185 40 40 SER CA C 57.575 0.007 1 186 40 40 SER CB C 63.478 0.062 1 187 40 40 SER N N 116.162 0.029 1 188 41 41 LYS H H 8.222 0.003 1 189 41 41 LYS C C 176.623 0.000 1 190 41 41 LYS CA C 55.536 0.000 1 191 41 41 LYS CB C 31.229 0.000 1 192 41 41 LYS N N 121.440 0.035 1 193 42 42 GLY H H 6.597 0.012 1 194 42 42 GLY C C 171.009 0.000 1 195 42 42 GLY CA C 44.625 0.022 1 196 42 42 GLY N N 105.218 0.029 1 197 43 43 SER H H 8.082 0.002 1 198 43 43 SER C C 172.543 0.000 1 199 43 43 SER CA C 57.180 0.006 1 200 43 43 SER CB C 65.615 0.067 1 201 43 43 SER N N 113.685 0.042 1 202 44 44 ILE H H 9.126 0.004 1 203 44 44 ILE C C 173.736 0.000 1 204 44 44 ILE CA C 59.542 0.000 1 205 44 44 ILE CB C 41.527 0.007 1 206 44 44 ILE N N 122.442 0.009 1 207 45 45 LYS H H 8.252 0.001 1 208 45 45 LYS C C 176.312 0.000 1 209 45 45 LYS CA C 55.738 0.000 1 210 45 45 LYS CB C 31.398 0.002 1 211 45 45 LYS N N 127.060 0.019 1 212 46 46 MET H H 8.135 0.002 1 213 46 46 MET C C 178.911 0.000 1 214 46 46 MET CA C 55.279 0.000 1 215 46 46 MET CB C 28.450 0.057 1 216 46 46 MET N N 123.750 0.024 1 217 47 47 ALA H H 8.693 0.004 1 218 47 47 ALA C C 178.741 0.000 1 219 47 47 ALA CA C 54.529 0.046 1 220 47 47 ALA CB C 18.470 0.000 1 221 47 47 ALA N N 119.290 0.021 1 222 48 48 VAL H H 7.059 0.008 1 223 48 48 VAL C C 175.024 0.000 1 224 48 48 VAL CA C 59.759 0.018 1 225 48 48 VAL CB C 30.919 0.000 1 226 48 48 VAL N N 106.440 0.029 1 227 49 49 CYS H H 7.354 0.004 1 228 49 49 CYS C C 173.791 0.000 1 229 49 49 CYS CA C 57.748 0.027 1 230 49 49 CYS CB C 29.704 0.000 1 231 49 49 CYS N N 119.743 0.030 1 232 50 50 GLU H H 8.832 0.008 1 233 50 50 GLU C C 175.109 0.000 1 234 50 50 GLU CA C 54.430 0.014 1 235 50 50 GLU CB C 30.789 0.041 1 236 50 50 GLU N N 124.545 0.036 1 237 51 51 ILE H H 8.564 0.001 1 238 51 51 ILE C C 175.426 0.000 1 239 51 51 ILE CA C 60.112 0.006 1 240 51 51 ILE CB C 38.609 0.001 1 241 51 51 ILE N N 124.182 0.015 1 242 52 52 LYS H H 9.117 0.007 1 243 52 52 LYS C C 175.554 0.000 1 244 52 52 LYS CA C 53.998 0.002 1 245 52 52 LYS CB C 33.636 0.014 1 246 52 52 LYS N N 128.231 0.036 1 247 53 53 VAL H H 8.741 0.000 1 248 53 53 VAL C C 175.274 0.000 1 249 53 53 VAL CA C 61.825 0.022 1 250 53 53 VAL CB C 32.189 0.000 1 251 53 53 VAL N N 125.402 0.023 1 252 54 54 HIS H H 7.433 0.003 1 253 54 54 HIS CA C 58.517 0.000 1 254 54 54 HIS CB C 32.109 0.000 1 255 54 54 HIS N N 128.571 0.018 1 256 55 55 SER C C 174.377 0.000 1 257 56 56 ALA H H 8.584 0.012 1 258 56 56 ALA C C 176.803 0.000 1 259 56 56 ALA CA C 52.566 0.000 1 260 56 56 ALA CB C 20.034 0.090 1 261 56 56 ALA N N 124.929 0.030 1 262 57 57 ASP H H 9.068 0.005 1 263 57 57 ASP C C 176.304 0.000 1 264 57 57 ASP CA C 52.339 0.000 1 265 57 57 ASP CB C 40.282 0.043 1 266 57 57 ASP N N 121.471 0.023 1 267 58 58 ASN H H 8.313 0.003 1 268 58 58 ASN C C 174.101 0.000 1 269 58 58 ASN CA C 53.765 0.000 1 270 58 58 ASN CB C 36.780 0.000 1 271 58 58 ASN N N 122.091 0.000 1 272 59 59 THR H H 8.294 0.003 1 273 59 59 THR C C 176.067 0.000 1 274 59 59 THR CA C 61.757 0.000 1 275 59 59 THR CB C 69.474 0.000 1 276 59 59 THR N N 104.917 0.029 1 277 60 60 ARG H H 7.495 0.006 1 278 60 60 ARG C C 176.287 0.000 1 279 60 60 ARG CA C 55.941 0.022 1 280 60 60 ARG CB C 33.120 0.001 1 281 60 60 ARG N N 122.869 0.023 1 282 61 61 MET H H 8.955 0.002 1 283 61 61 MET C C 172.551 0.000 1 284 61 61 MET CA C 54.758 0.000 1 285 61 61 MET CB C 36.246 0.001 1 286 61 61 MET N N 120.450 0.021 1 287 62 62 GLU H H 8.903 0.002 1 288 62 62 GLU C C 173.529 0.000 1 289 62 62 GLU CA C 54.024 0.020 1 290 62 62 GLU CB C 32.934 0.020 1 291 62 62 GLU N N 121.224 0.028 1 292 63 63 LEU H H 8.562 0.006 1 293 63 63 LEU C C 175.409 0.000 1 294 63 63 LEU CA C 52.811 0.017 1 295 63 63 LEU CB C 43.193 0.030 1 296 63 63 LEU N N 122.751 0.039 1 297 64 64 ILE H H 8.802 0.014 1 298 64 64 ILE C C 175.598 0.000 1 299 64 64 ILE CA C 60.325 0.005 1 300 64 64 ILE CB C 39.507 0.069 1 301 64 64 ILE N N 123.420 0.009 1 302 65 65 ILE H H 8.517 0.004 1 303 65 65 ILE CA C 58.118 0.000 1 304 65 65 ILE CB C 38.478 0.000 1 305 65 65 ILE N N 128.266 0.028 1 306 66 66 PRO C C 177.022 0.000 1 307 67 67 GLY H H 8.590 0.000 1 308 67 67 GLY C C 174.172 0.000 1 309 67 67 GLY CA C 44.994 0.000 1 310 67 67 GLY N N 112.014 0.000 1 311 68 68 GLU H H 8.301 0.004 1 312 68 68 GLU C C 175.676 0.000 1 313 68 68 GLU CA C 56.280 0.025 1 314 68 68 GLU CB C 30.272 0.000 1 315 68 68 GLU N N 118.555 0.016 1 316 69 69 GLN H H 7.949 0.010 1 317 69 69 GLN C C 174.688 0.000 1 318 69 69 GLN CA C 54.988 0.000 1 319 69 69 GLN CB C 31.131 0.000 1 320 69 69 GLN N N 117.225 0.028 1 321 70 70 HIS H H 8.722 0.008 1 322 70 70 HIS C C 173.290 0.000 1 323 70 70 HIS CA C 54.698 0.072 1 324 70 70 HIS CB C 31.123 0.012 1 325 70 70 HIS N N 122.772 0.038 1 326 71 71 PHE H H 9.086 0.006 1 327 71 71 PHE C C 174.457 0.000 1 328 71 71 PHE CA C 55.650 0.002 1 329 71 71 PHE CB C 40.700 0.012 1 330 71 71 PHE N N 124.522 0.025 1 331 72 72 TYR H H 8.879 0.003 1 332 72 72 TYR C C 175.020 0.000 1 333 72 72 TYR CA C 57.218 0.007 1 334 72 72 TYR CB C 39.082 0.045 1 335 72 72 TYR N N 123.147 0.016 1 336 73 73 MET H H 8.767 0.002 1 337 73 73 MET C C 175.014 0.000 1 338 73 73 MET CA C 54.300 0.000 1 339 73 73 MET CB C 37.680 0.001 1 340 73 73 MET N N 120.314 0.028 1 341 74 74 LYS H H 9.085 0.000 1 342 74 74 LYS C C 174.515 0.000 1 343 74 74 LYS CA C 54.800 0.076 1 344 74 74 LYS CB C 35.136 0.004 1 345 74 74 LYS N N 120.907 0.024 1 346 75 75 ALA H H 8.703 0.001 1 347 75 75 ALA C C 177.091 0.000 1 348 75 75 ALA CA C 49.449 0.009 1 349 75 75 ALA CB C 20.331 0.017 1 350 75 75 ALA N N 126.223 0.012 1 351 76 76 VAL H H 8.968 0.003 1 352 76 76 VAL C C 175.658 0.000 1 353 76 76 VAL CA C 64.256 0.052 1 354 76 76 VAL CB C 31.116 0.004 1 355 76 76 VAL N N 114.876 0.020 1 356 77 77 ASN H H 7.179 0.005 1 357 77 77 ASN C C 174.771 0.000 1 358 77 77 ASN CA C 51.838 0.034 1 359 77 77 ASN CB C 39.065 0.005 1 360 77 77 ASN N N 109.397 0.030 1 361 78 78 ALA H H 8.561 0.003 1 362 78 78 ALA C C 180.244 0.000 1 363 78 78 ALA CA C 54.404 0.000 1 364 78 78 ALA CB C 17.895 0.000 1 365 78 78 ALA N N 121.875 0.026 1 366 79 79 ALA H H 8.294 0.001 1 367 79 79 ALA C C 181.160 0.000 1 368 79 79 ALA CA C 54.639 0.027 1 369 79 79 ALA CB C 16.836 0.021 1 370 79 79 ALA N N 123.972 0.022 1 371 80 80 GLU H H 8.620 0.005 1 372 80 80 GLU C C 178.926 0.000 1 373 80 80 GLU CA C 58.532 0.004 1 374 80 80 GLU CB C 29.092 0.000 1 375 80 80 GLU N N 119.801 0.027 1 376 81 81 ARG H H 7.830 0.007 1 377 81 81 ARG C C 177.623 0.000 1 378 81 81 ARG CA C 60.559 0.011 1 379 81 81 ARG CB C 28.698 0.080 1 380 81 81 ARG N N 119.239 0.030 1 381 82 82 GLN H H 7.968 0.013 1 382 82 82 GLN C C 177.444 0.000 1 383 82 82 GLN CA C 58.651 0.000 1 384 82 82 GLN CB C 26.829 0.038 1 385 82 82 GLN N N 118.619 0.025 1 386 83 83 ARG H H 7.633 0.004 1 387 83 83 ARG C C 180.252 0.000 1 388 83 83 ARG CA C 59.364 0.001 1 389 83 83 ARG CB C 29.534 0.000 1 390 83 83 ARG N N 117.951 0.026 1 391 84 84 TRP H H 7.817 0.003 1 392 84 84 TRP HE1 H 10.581 0.000 1 393 84 84 TRP C C 178.061 0.000 1 394 84 84 TRP CA C 61.316 0.029 1 395 84 84 TRP N N 119.545 0.035 1 396 84 84 TRP NE1 N 130.933 0.000 1 397 85 85 LEU H H 8.919 0.003 1 398 85 85 LEU C C 180.809 0.000 1 399 85 85 LEU CA C 58.236 0.007 1 400 85 85 LEU CB C 40.505 0.038 1 401 85 85 LEU N N 120.102 0.047 1 402 86 86 VAL H H 8.135 0.003 1 403 86 86 VAL C C 178.886 0.000 1 404 86 86 VAL CA C 65.686 0.008 1 405 86 86 VAL CB C 31.034 0.000 1 406 86 86 VAL N N 119.900 0.021 1 407 87 87 ALA H H 7.254 0.011 1 408 87 87 ALA C C 180.578 0.000 1 409 87 87 ALA CA C 54.745 0.061 1 410 87 87 ALA CB C 17.975 0.000 1 411 87 87 ALA N N 123.383 0.024 1 412 88 88 LEU H H 9.264 0.003 1 413 88 88 LEU C C 179.136 0.000 1 414 88 88 LEU CA C 57.102 0.018 1 415 88 88 LEU CB C 41.198 0.000 1 416 88 88 LEU N N 118.561 0.065 1 417 89 89 GLY H H 8.159 0.007 1 418 89 89 GLY C C 176.107 0.000 1 419 89 89 GLY CA C 46.125 0.018 1 420 89 89 GLY N N 106.052 0.034 1 421 90 90 SER H H 7.894 0.005 1 422 90 90 SER C C 175.794 0.000 1 423 90 90 SER CA C 60.041 0.000 1 424 90 90 SER CB C 62.828 0.000 1 425 90 90 SER N N 116.587 0.031 1 426 91 91 SER H H 7.784 0.003 1 427 91 91 SER C C 175.244 0.000 1 428 91 91 SER CA C 59.960 0.011 1 429 91 91 SER CB C 63.526 0.040 1 430 91 91 SER N N 117.027 0.019 1 431 92 92 LYS H H 7.668 0.002 1 432 92 92 LYS C C 176.590 0.000 1 433 92 92 LYS CA C 57.205 0.001 1 434 92 92 LYS CB C 31.574 0.075 1 435 92 92 LYS N N 120.348 0.039 1 436 93 93 ALA H H 7.752 0.001 1 437 93 93 ALA C C 177.610 0.000 1 438 93 93 ALA CA C 52.510 0.004 1 439 93 93 ALA CB C 18.288 0.006 1 440 93 93 ALA N N 121.973 0.012 1 441 94 94 CYS H H 7.954 0.001 1 442 94 94 CYS C C 174.791 0.000 1 443 94 94 CYS CA C 58.712 0.007 1 444 94 94 CYS CB C 27.307 0.030 1 445 94 94 CYS N N 117.594 0.018 1 446 95 95 LEU H H 8.180 0.002 1 447 95 95 LEU CA C 54.645 0.434 1 448 95 95 LEU CB C 41.023 0.394 1 449 95 95 LEU N N 124.275 0.015 1 450 96 96 THR H H 7.995 0.001 1 451 96 96 THR C C 174.294 0.000 1 452 96 96 THR CA C 61.608 0.003 1 453 96 96 THR CB C 69.200 0.033 1 454 96 96 THR N N 114.025 0.010 1 455 97 97 ASP H H 8.222 0.002 1 456 97 97 ASP CA C 54.212 0.000 1 457 97 97 ASP CB C 40.572 0.000 1 458 97 97 ASP N N 122.709 0.007 1 459 98 98 THR CA C 61.580 0.000 1 460 98 98 THR CB C 69.141 0.000 1 461 99 99 LEU H H 8.110 0.002 1 462 99 99 LEU CA C 55.119 0.017 1 463 99 99 LEU CB C 41.272 0.005 1 464 99 99 LEU N N 123.709 0.022 1 465 100 100 GLU H H 8.157 0.003 1 466 100 100 GLU CA C 56.299 0.000 1 467 100 100 GLU CB C 29.305 0.000 1 468 100 100 GLU N N 120.701 0.025 1 stop_ save_ save_FAPP1_with_DMPC-DHPC_and_PI4P _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FAPP1 PH domain' _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 3 3 GLY H H 7.917 0.000 1 2 3 3 GLY CA C 44.879 0.005 1 3 3 3 GLY N N 107.897 0.010 1 4 4 4 VAL H H 8.451 0.000 1 5 4 4 VAL CA C 61.587 0.000 1 6 4 4 VAL CB C 32.483 0.005 1 7 4 4 VAL N N 119.838 0.006 1 8 5 5 LEU H H 8.714 0.001 1 9 5 5 LEU CA C 53.869 0.051 1 10 5 5 LEU CB C 45.129 0.000 1 11 5 5 LEU N N 126.200 0.006 1 12 6 6 TYR H H 8.707 0.002 1 13 6 6 TYR CA C 57.840 0.020 1 14 6 6 TYR CB C 38.343 0.015 1 15 6 6 TYR N N 119.848 0.010 1 16 7 7 LYS H H 9.606 0.002 1 17 7 7 LYS CA C 53.438 0.000 1 18 7 7 LYS CB C 36.639 0.000 1 19 7 7 LYS N N 124.819 0.027 1 20 8 8 TRP H H 8.144 0.000 1 21 8 8 TRP N N 127.485 0.000 1 22 9 9 THR H H 6.426 0.000 1 23 9 9 THR N N 122.224 0.000 1 24 10 10 ASN H H 7.414 0.000 1 25 10 10 ASN N N 116.996 0.000 1 26 11 11 TYR H H 8.475 0.001 1 27 11 11 TYR CA C 56.185 0.000 1 28 11 11 TYR CB C 41.565 0.000 1 29 11 11 TYR N N 115.882 0.024 1 30 12 12 LEU H H 8.201 0.000 1 31 12 12 LEU N N 116.483 0.000 1 32 13 13 THR H H 7.664 0.000 1 33 13 13 THR N N 104.493 0.000 1 34 14 14 GLY H H 7.752 0.003 1 35 14 14 GLY CA C 45.869 0.014 1 36 14 14 GLY N N 110.471 0.015 1 37 15 15 TRP H H 9.193 0.001 1 38 15 15 TRP CA C 56.787 0.014 1 39 15 15 TRP CB C 28.306 0.000 1 40 15 15 TRP N N 130.775 0.029 1 41 16 16 GLN H H 8.816 0.001 1 42 16 16 GLN CA C 51.821 0.000 1 43 16 16 GLN CB C 30.788 0.000 1 44 16 16 GLN N N 122.304 0.014 1 45 17 17 PRO CA C 62.513 0.000 1 46 17 17 PRO CB C 30.642 0.000 1 47 18 18 ARG H H 8.918 0.001 1 48 18 18 ARG CA C 53.490 0.024 1 49 18 18 ARG CB C 33.381 0.053 1 50 18 18 ARG N N 123.982 0.007 1 51 19 19 TRP H H 8.415 0.004 1 52 19 19 TRP CA C 55.608 0.000 1 53 19 19 TRP CB C 30.910 0.079 1 54 19 19 TRP N N 121.742 0.018 1 55 20 20 PHE H H 8.813 0.004 1 56 20 20 PHE CA C 56.532 0.016 1 57 20 20 PHE CB C 42.337 0.054 1 58 20 20 PHE N N 127.350 0.024 1 59 21 21 VAL H H 8.957 0.001 1 60 21 21 VAL CA C 61.470 0.027 1 61 21 21 VAL CB C 35.255 0.032 1 62 21 21 VAL N N 117.658 0.034 1 63 22 22 LEU H H 9.091 0.002 1 64 22 22 LEU CA C 52.860 0.000 1 65 22 22 LEU CB C 44.386 0.000 1 66 22 22 LEU N N 130.128 0.023 1 67 23 23 ASP CB C 43.381 0.000 1 68 24 24 ASN H H 9.090 0.001 1 69 24 24 ASN CA C 53.876 0.000 1 70 24 24 ASN CB C 37.161 0.003 1 71 24 24 ASN N N 125.027 0.008 1 72 25 25 GLY H H 8.684 0.003 1 73 25 25 GLY CA C 45.419 0.008 1 74 25 25 GLY N N 102.669 0.044 1 75 26 26 ILE H H 7.918 0.001 1 76 26 26 ILE CA C 58.925 0.021 1 77 26 26 ILE CB C 38.826 0.008 1 78 26 26 ILE N N 122.561 0.020 1 79 27 27 LEU H H 9.004 0.002 1 80 27 27 LEU CA C 52.757 0.001 1 81 27 27 LEU CB C 43.327 0.124 1 82 27 27 LEU N N 131.732 0.026 1 83 28 28 SER H H 9.426 0.002 1 84 28 28 SER CA C 56.954 0.000 1 85 28 28 SER CB C 65.478 0.000 1 86 28 28 SER N N 123.376 0.052 1 87 29 29 TYR H H 7.715 0.002 1 88 29 29 TYR CA C 54.875 0.000 1 89 29 29 TYR CB C 40.192 0.000 1 90 29 29 TYR N N 117.637 0.008 1 91 30 30 TYR H H 8.902 0.000 1 92 30 30 TYR CA C 55.514 0.011 1 93 30 30 TYR CB C 42.773 0.046 1 94 30 30 TYR N N 117.728 0.019 1 95 31 31 ASP H H 9.524 0.002 1 96 31 31 ASP CA C 58.079 0.029 1 97 31 31 ASP CB C 39.948 0.000 1 98 31 31 ASP N N 122.277 0.022 1 99 32 32 SER H H 7.369 0.003 1 100 32 32 SER CA C 56.804 0.000 1 101 32 32 SER CB C 65.513 0.234 1 102 32 32 SER N N 107.263 0.014 1 103 33 33 GLN H H 8.649 0.003 1 104 33 33 GLN CA C 57.566 0.052 1 105 33 33 GLN CB C 26.233 0.011 1 106 33 33 GLN N N 123.044 0.020 1 107 34 34 ASP H H 7.625 0.002 1 108 34 34 ASP CA C 55.401 0.065 1 109 34 34 ASP CB C 39.888 0.033 1 110 34 34 ASP N N 116.788 0.008 1 111 35 35 ASP H H 7.296 0.003 1 112 35 35 ASP CA C 54.390 0.040 1 113 35 35 ASP CB C 41.936 0.007 1 114 35 35 ASP N N 117.182 0.012 1 115 36 36 VAL H H 6.897 0.001 1 116 36 36 VAL CA C 64.725 0.018 1 117 36 36 VAL N N 120.939 0.004 1 118 37 37 CYS H H 8.006 0.000 1 119 37 37 CYS CA C 58.781 0.019 1 120 37 37 CYS CB C 26.667 0.000 1 121 37 37 CYS N N 115.320 0.023 1 122 38 38 LYS H H 7.752 0.001 1 123 38 38 LYS CA C 56.474 0.001 1 124 38 38 LYS CB C 32.317 0.027 1 125 38 38 LYS N N 121.888 0.024 1 126 39 39 GLY H H 7.590 0.001 1 127 39 39 GLY CA C 43.707 0.012 1 128 39 39 GLY N N 107.247 0.049 1 129 40 40 SER H H 8.311 0.002 1 130 40 40 SER CA C 57.529 0.045 1 131 40 40 SER CB C 63.340 0.050 1 132 40 40 SER N N 115.969 0.016 1 133 41 41 LYS H H 8.203 0.003 1 134 41 41 LYS CA C 56.714 0.000 1 135 41 41 LYS CB C 31.426 0.000 1 136 41 41 LYS N N 122.357 0.017 1 137 42 42 GLY H H 6.538 0.000 1 138 42 42 GLY CA C 44.548 0.017 1 139 42 42 GLY N N 104.190 0.047 1 140 43 43 SER H H 8.241 0.002 1 141 43 43 SER CA C 57.166 0.012 1 142 43 43 SER CB C 65.671 0.120 1 143 43 43 SER N N 113.413 0.048 1 144 44 44 ILE H H 9.185 0.003 1 145 44 44 ILE CA C 59.473 0.013 1 146 44 44 ILE CB C 41.508 0.028 1 147 44 44 ILE N N 121.785 0.013 1 148 45 45 LYS H H 8.198 0.001 1 149 45 45 LYS CA C 55.697 0.000 1 150 45 45 LYS CB C 31.480 0.008 1 151 45 45 LYS N N 126.880 0.027 1 152 46 46 MET H H 8.083 0.002 1 153 46 46 MET CB C 28.244 0.000 1 154 46 46 MET N N 123.240 0.019 1 155 47 47 ALA H H 8.724 0.003 1 156 47 47 ALA CA C 54.682 0.010 1 157 47 47 ALA CB C 18.476 0.006 1 158 47 47 ALA N N 119.408 0.015 1 159 48 48 VAL H H 7.050 0.002 1 160 48 48 VAL CA C 59.689 0.041 1 161 48 48 VAL CB C 31.024 0.000 1 162 48 48 VAL N N 106.358 0.014 1 163 49 49 CYS H H 7.291 0.003 1 164 49 49 CYS CA C 57.569 0.022 1 165 49 49 CYS CB C 29.553 0.000 1 166 49 49 CYS N N 120.284 0.008 1 167 50 50 GLU H H 9.073 0.002 1 168 50 50 GLU CA C 54.519 0.013 1 169 50 50 GLU CB C 30.340 0.026 1 170 50 50 GLU N N 126.025 0.023 1 171 51 51 ILE H H 8.543 0.001 1 172 51 51 ILE CA C 60.258 0.016 1 173 51 51 ILE CB C 38.358 0.035 1 174 51 51 ILE N N 124.631 0.009 1 175 52 52 LYS H H 9.081 0.001 1 176 52 52 LYS CA C 54.109 0.027 1 177 52 52 LYS CB C 33.823 0.027 1 178 52 52 LYS N N 128.767 0.034 1 179 53 53 VAL H H 8.753 0.002 1 180 53 53 VAL CA C 61.710 0.055 1 181 53 53 VAL CB C 32.140 0.000 1 182 53 53 VAL N N 126.061 0.046 1 183 54 54 HIS H H 7.436 0.003 1 184 54 54 HIS CA C 58.692 0.000 1 185 54 54 HIS CB C 31.888 0.000 1 186 54 54 HIS N N 128.603 0.067 1 187 55 55 SER CA C 60.456 0.000 1 188 56 56 ALA H H 8.484 0.001 1 189 56 56 ALA CA C 52.776 0.000 1 190 56 56 ALA CB C 20.216 0.000 1 191 56 56 ALA N N 124.917 0.014 1 192 57 57 ASP H H 9.244 0.002 1 193 57 57 ASP CA C 52.176 0.000 1 194 57 57 ASP CB C 40.207 0.105 1 195 57 57 ASP N N 121.644 0.021 1 196 58 58 ASN H H 8.308 0.001 1 197 58 58 ASN CA C 53.756 0.000 1 198 58 58 ASN CB C 36.887 0.000 1 199 58 58 ASN N N 121.984 0.025 1 200 59 59 THR H H 8.248 0.000 1 201 59 59 THR N N 104.729 0.000 1 202 60 60 ARG H H 7.523 0.001 1 203 60 60 ARG CA C 55.654 0.015 1 204 60 60 ARG CB C 32.820 0.078 1 205 60 60 ARG N N 123.324 0.029 1 206 61 61 MET H H 9.169 0.005 1 207 61 61 MET CA C 54.479 0.000 1 208 61 61 MET CB C 36.499 0.010 1 209 61 61 MET N N 121.616 0.015 1 210 62 62 GLU H H 8.920 0.001 1 211 62 62 GLU CA C 53.846 0.000 1 212 62 62 GLU CB C 33.333 0.000 1 213 62 62 GLU N N 120.791 0.027 1 214 63 63 LEU H H 8.575 0.000 1 215 63 63 LEU CA C 52.880 0.000 1 216 63 63 LEU CB C 43.325 0.000 1 217 63 63 LEU N N 122.792 0.000 1 218 64 64 ILE H H 8.739 0.002 1 219 64 64 ILE CA C 60.358 0.000 1 220 64 64 ILE CB C 40.758 0.005 1 221 64 64 ILE N N 122.936 0.016 1 222 65 65 ILE H H 8.486 0.001 1 223 65 65 ILE CA C 59.257 1.122 1 224 65 65 ILE CB C 38.254 0.000 1 225 65 65 ILE N N 127.897 0.017 1 226 66 66 PRO CA C 64.295 0.000 1 227 66 66 PRO CB C 30.904 0.000 1 228 67 67 GLY H H 8.577 0.001 1 229 67 67 GLY CA C 45.090 0.009 1 230 67 67 GLY N N 112.689 0.025 1 231 68 68 GLU H H 8.310 0.002 1 232 68 68 GLU CA C 56.715 0.000 1 233 68 68 GLU CB C 31.044 0.039 1 234 68 68 GLU N N 118.752 0.008 1 235 69 69 GLN H H 8.036 0.002 1 236 69 69 GLN CA C 55.249 0.006 1 237 69 69 GLN CB C 32.208 0.013 1 238 69 69 GLN N N 116.928 0.017 1 239 70 70 HIS H H 9.003 0.000 1 240 70 70 HIS CA C 53.611 0.000 1 241 70 70 HIS CB C 29.857 0.027 1 242 70 70 HIS N N 122.913 0.054 1 243 71 71 PHE H H 9.212 0.003 1 244 71 71 PHE CA C 54.407 0.000 1 245 71 71 PHE CB C 40.269 0.010 1 246 71 71 PHE N N 124.105 0.031 1 247 72 72 TYR H H 9.141 0.002 1 248 72 72 TYR CA C 56.694 0.024 1 249 72 72 TYR CB C 39.160 0.000 1 250 72 72 TYR N N 121.620 0.048 1 251 73 73 MET H H 8.926 0.001 1 252 73 73 MET CA C 54.627 0.000 1 253 73 73 MET CB C 37.850 0.017 1 254 73 73 MET N N 121.009 0.015 1 255 74 74 LYS H H 9.328 0.001 1 256 74 74 LYS CA C 54.818 0.006 1 257 74 74 LYS CB C 35.047 0.080 1 258 74 74 LYS N N 120.648 0.018 1 259 75 75 ALA H H 8.673 0.000 1 260 75 75 ALA CA C 49.511 0.005 1 261 75 75 ALA CB C 20.343 0.002 1 262 75 75 ALA N N 125.912 0.061 1 263 76 76 VAL H H 8.882 0.001 1 264 76 76 VAL CA C 64.273 0.047 1 265 76 76 VAL CB C 31.147 0.000 1 266 76 76 VAL N N 114.814 0.015 1 267 77 77 ASN H H 7.210 0.002 1 268 77 77 ASN CA C 51.731 0.018 1 269 77 77 ASN CB C 39.011 0.003 1 270 77 77 ASN N N 109.733 0.013 1 271 78 78 ALA H H 8.570 0.001 1 272 78 78 ALA CA C 54.373 0.000 1 273 78 78 ALA CB C 17.927 0.000 1 274 78 78 ALA N N 121.999 0.021 1 275 79 79 ALA H H 8.292 0.002 1 276 79 79 ALA CA C 54.654 0.050 1 277 79 79 ALA CB C 16.822 0.058 1 278 79 79 ALA N N 123.880 0.003 1 279 80 80 GLU H H 8.590 0.001 1 280 80 80 GLU CA C 58.515 0.011 1 281 80 80 GLU CB C 29.074 0.000 1 282 80 80 GLU N N 120.132 0.024 1 283 81 81 ARG H H 7.869 0.002 1 284 81 81 ARG CA C 60.579 0.019 1 285 81 81 ARG CB C 28.819 0.014 1 286 81 81 ARG N N 119.300 0.020 1 287 82 82 GLN H H 8.042 0.001 1 288 82 82 GLN CA C 58.568 0.000 1 289 82 82 GLN CB C 26.846 0.037 1 290 82 82 GLN N N 118.842 0.014 1 291 83 83 ARG H H 7.647 0.001 1 292 83 83 ARG CA C 59.397 0.000 1 293 83 83 ARG CB C 29.557 0.000 1 294 83 83 ARG N N 117.983 0.011 1 295 84 84 TRP H H 7.757 0.003 1 296 84 84 TRP CA C 61.381 0.000 1 297 84 84 TRP CB C 28.339 0.000 1 298 84 84 TRP N N 119.504 0.007 1 299 85 85 LEU H H 8.972 0.001 1 300 85 85 LEU CA C 58.239 0.041 1 301 85 85 LEU CB C 40.349 0.076 1 302 85 85 LEU N N 120.171 0.053 1 303 86 86 VAL H H 8.229 0.002 1 304 86 86 VAL CA C 65.717 0.000 1 305 86 86 VAL CB C 31.020 0.048 1 306 86 86 VAL N N 120.182 0.056 1 307 87 87 ALA H H 7.221 0.001 1 308 87 87 ALA CA C 54.705 0.000 1 309 87 87 ALA CB C 17.971 0.000 1 310 87 87 ALA N N 123.547 0.017 1 311 88 88 LEU H H 9.309 0.002 1 312 88 88 LEU CA C 57.263 0.009 1 313 88 88 LEU CB C 40.769 0.000 1 314 88 88 LEU N N 119.100 0.025 1 315 89 89 GLY H H 8.254 0.004 1 316 89 89 GLY CA C 46.231 0.005 1 317 89 89 GLY N N 106.144 0.016 1 318 90 90 SER H H 7.930 0.002 1 319 90 90 SER CA C 60.335 0.000 1 320 90 90 SER CB C 62.554 0.000 1 321 90 90 SER N N 116.926 0.006 1 322 91 91 SER H H 7.765 0.000 1 323 91 91 SER CA C 60.237 0.007 1 324 91 91 SER CB C 63.207 0.019 1 325 91 91 SER N N 117.054 0.009 1 326 92 92 LYS H H 7.611 0.001 1 327 92 92 LYS CA C 57.550 0.020 1 328 92 92 LYS CB C 31.550 0.022 1 329 92 92 LYS N N 120.066 0.055 1 330 93 93 ALA H H 7.714 0.001 1 331 93 93 ALA CA C 52.561 0.024 1 332 93 93 ALA CB C 18.263 0.006 1 333 93 93 ALA N N 121.525 0.001 1 334 94 94 CYS H H 7.907 0.000 1 335 94 94 CYS CA C 58.915 0.001 1 336 94 94 CYS CB C 27.230 0.009 1 337 94 94 CYS N N 117.361 0.023 1 338 95 95 LEU H H 8.154 0.000 1 339 95 95 LEU CA C 55.108 0.004 1 340 95 95 LEU CB C 41.401 0.011 1 341 95 95 LEU N N 124.070 0.014 1 342 96 96 THR H H 7.979 0.000 1 343 96 96 THR CA C 61.785 0.001 1 344 96 96 THR CB C 69.208 0.001 1 345 96 96 THR N N 114.113 0.017 1 346 97 97 ASP H H 8.227 0.001 1 347 97 97 ASP CA C 54.241 0.000 1 348 97 97 ASP CB C 40.598 0.000 1 349 97 97 ASP N N 122.786 0.005 1 350 98 98 THR CA C 61.700 0.000 1 351 98 98 THR CB C 69.108 0.000 1 352 99 99 LEU H H 8.086 0.001 1 353 99 99 LEU CA C 55.279 0.020 1 354 99 99 LEU CB C 41.254 0.020 1 355 99 99 LEU N N 123.441 0.019 1 356 100 100 GLU H H 8.117 0.002 1 357 100 100 GLU CA C 56.243 0.033 1 358 100 100 GLU CB C 29.240 0.000 1 359 100 100 GLU N N 120.417 0.018 1 360 101 101 HIS H H 8.182 0.002 1 361 101 101 HIS CA C 55.326 0.000 1 362 101 101 HIS CB C 29.143 0.000 1 363 101 101 HIS N N 119.249 0.026 1 stop_ save_