data_16156 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Coiled-coil Domain of Synphilin-1 ; _BMRB_accession_number 16156 _BMRB_flat_file_name bmr16156.str _Entry_type original _Submission_date 2009-02-02 _Accession_date 2009-02-02 _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 Xie Yuanyuan . . 2 Zhou Chenjie . . 3 Zhou Ziren . . 4 Hu Hongyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 223 "13C chemical shifts" 174 "15N chemical shifts" 46 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit entity/assembly name' 2009-03-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Coiled-coil Domain of Synphilin-1' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xie Yuanyuan . . 2 Zhou Chenjie . . 3 Zhou Ziren . . 4 Hong Jing . . 5 Lin Donghai . . 6 Hu Hongyu . . stop_ _Journal_abbreviation 'Not known' _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Synphilin-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Synphilin-1 $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Synphilin-1 _Molecular_mass 5371.191 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 48 _Mol_residue_sequence ; GSVETCMSLASQVVKLTKQL KEQTVERVTLQNQLQQFLEA QKSEGKSL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 510 GLY 2 511 SER 3 512 VAL 4 513 GLU 5 514 THR 6 515 CYS 7 516 MET 8 517 SER 9 518 LEU 10 519 ALA 11 520 SER 12 521 GLN 13 522 VAL 14 523 VAL 15 524 LYS 16 525 LEU 17 526 THR 18 527 LYS 19 528 GLN 20 529 LEU 21 530 LYS 22 531 GLU 23 532 GLN 24 533 THR 25 534 VAL 26 535 GLU 27 536 ARG 28 537 VAL 29 538 THR 30 539 LEU 31 540 GLN 32 541 ASN 33 542 GLN 34 543 LEU 35 544 GLN 36 545 GLN 37 546 PHE 38 547 LEU 39 548 GLU 40 549 ALA 41 550 GLN 42 551 LYS 43 552 SER 44 553 GLU 45 554 GLY 46 555 LYS 47 556 SER 48 557 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2KES "Solution Structure Of The Coiled-Coil Domain Of Synphilin-1" 100.00 48 100.00 100.00 1.83e-22 DBJ BAA91791 "unnamed protein product [Homo sapiens]" 95.83 597 100.00 100.00 3.83e-19 DBJ BAD19017 "synphilin-1a protein [Homo sapiens]" 91.67 919 100.00 100.00 7.69e-18 DBJ BAD19018 "synphilin-1b protein [Homo sapiens]" 91.67 859 100.00 100.00 7.10e-18 DBJ BAG51060 "unnamed protein product [Homo sapiens]" 91.67 435 100.00 100.00 8.29e-19 DBJ BAH12894 "unnamed protein product [Homo sapiens]" 91.67 381 100.00 100.00 2.06e-18 GB AAD30362 "synphilin 1 [Homo sapiens]" 91.67 919 100.00 100.00 7.69e-18 GB AAG17478 "synuclein alpha interacting protein [Homo sapiens]" 91.67 919 100.00 100.00 7.92e-18 GB AAH33743 "SNCAIP protein [Homo sapiens]" 91.67 553 100.00 100.00 3.93e-18 GB AAH40552 "SNCAIP protein [Homo sapiens]" 91.67 1016 100.00 100.00 8.96e-18 GB AAH94759 "SNCAIP protein [Homo sapiens]" 91.67 603 100.00 100.00 4.68e-18 REF NP_001229864 "synphilin-1 isoform 1A [Homo sapiens]" 91.67 603 100.00 100.00 4.59e-18 REF NP_001295029 "synphilin-1 isoform 2 [Homo sapiens]" 91.67 1016 100.00 100.00 8.05e-18 REF NP_001295034 "synphilin-1 isoform B [Homo sapiens]" 91.67 859 100.00 100.00 6.96e-18 REF NP_001295035 "synphilin-1 isoform D [Homo sapiens]" 91.67 551 100.00 100.00 3.75e-18 REF NP_001295036 "synphilin-1 isoform E [Homo sapiens]" 91.67 553 100.00 100.00 4.09e-18 SP Q9Y6H5 "RecName: Full=Synphilin-1; Short=Sph1; AltName: Full=Alpha-synuclein-interacting protein" 91.67 919 100.00 100.00 7.92e-18 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli . pET-32M 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 $entity 0.2 mM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . 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 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1.0 . 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 0.0 na indirect . . . 0.25144 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.00000 DSS N 15 'methyl protons' ppm 0.0 na indirect . . . 0.10132 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNHA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Synphilin-1 _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 1 512 3 VAL H H 8.411 0.005 . 2 512 3 VAL HA H 4.140 0.002 . 3 512 3 VAL HB H 2.130 0.006 . 4 512 3 VAL HG1 H 0.953 0.005 . 5 512 3 VAL C C 176.681 0.018 . 6 512 3 VAL CA C 63.248 0.108 . 7 512 3 VAL CB C 32.219 0.026 . 8 512 3 VAL CG1 C 20.988 0.021 . 9 512 3 VAL N N 121.730 0.056 . 10 513 4 GLU H H 8.552 0.005 . 11 513 4 GLU HA H 4.304 0.005 . 12 513 4 GLU HB2 H 2.036 0.007 . 13 513 4 GLU HG2 H 2.328 0.003 . 14 513 4 GLU C C 177.624 0.004 . 15 513 4 GLU CA C 57.945 0.121 . 16 513 4 GLU CB C 29.784 0.025 . 17 513 4 GLU N N 123.626 0.073 . 18 514 5 THR H H 8.341 0.007 . 19 514 5 THR HA H 4.364 0.005 . 20 514 5 THR HB H 4.410 0.005 . 21 514 5 THR HG2 H 1.277 0.003 . 22 514 5 THR C C 175.493 0.013 . 23 514 5 THR CA C 62.824 0.067 . 24 514 5 THR CB C 70.032 0.157 . 25 514 5 THR N N 114.159 0.040 . 26 515 6 CYS H H 8.739 0.012 . 27 515 6 CYS HA H 4.692 0.049 . 28 515 6 CYS HB2 H 3.315 0.006 . 29 515 6 CYS HB3 H 3.150 0.007 . 30 515 6 CYS C C 178.959 0.000 . 31 515 6 CYS CA C 57.420 0.069 . 32 515 6 CYS CB C 42.167 0.082 . 33 515 6 CYS N N 119.497 0.053 . 34 516 7 MET H H 8.380 0.007 . 35 516 7 MET HA H 4.250 0.007 . 36 516 7 MET HB2 H 2.715 0.003 . 37 516 7 MET HB3 H 2.640 0.005 . 38 516 7 MET HG2 H 2.165 0.000 . 39 516 7 MET HG3 H 2.111 0.005 . 40 516 7 MET C C 176.520 0.018 . 41 516 7 MET CA C 58.813 0.151 . 42 516 7 MET CB C 32.214 0.030 . 43 516 7 MET N N 120.287 0.067 . 44 517 8 SER H H 8.409 0.005 . 45 517 8 SER HA H 4.339 0.004 . 46 517 8 SER HB2 H 4.029 0.006 . 47 517 8 SER C C 177.818 0.000 . 48 517 8 SER CA C 61.119 0.083 . 49 517 8 SER CB C 62.384 0.024 . 50 517 8 SER N N 116.219 0.057 . 51 518 9 LEU H H 8.017 0.005 . 52 518 9 LEU HA H 4.144 0.008 . 53 518 9 LEU HB2 H 2.046 0.007 . 54 518 9 LEU HB3 H 1.318 0.011 . 55 518 9 LEU HD1 H 0.987 0.005 . 56 518 9 LEU HD2 H 0.889 0.000 . 57 518 9 LEU HG H 1.840 0.000 . 58 518 9 LEU C C 178.577 0.081 . 59 518 9 LEU CA C 57.927 0.070 . 60 518 9 LEU CB C 42.987 0.162 . 61 518 9 LEU CD1 C 26.292 0.061 . 62 518 9 LEU N N 122.883 0.036 . 63 519 10 ALA H H 8.085 0.010 . 64 519 10 ALA HA H 4.044 0.008 . 65 519 10 ALA HB H 1.545 0.006 . 66 519 10 ALA C C 180.731 0.038 . 67 519 10 ALA CA C 55.810 0.111 . 68 519 10 ALA CB C 17.616 0.075 . 69 519 10 ALA N N 121.112 0.060 . 70 520 11 SER H H 7.998 0.005 . 71 520 11 SER HA H 4.283 0.010 . 72 520 11 SER HB2 H 4.048 0.005 . 73 520 11 SER C C 177.283 0.028 . 74 520 11 SER CA C 61.279 0.113 . 75 520 11 SER CB C 62.764 0.150 . 76 520 11 SER N N 113.163 0.091 . 77 521 12 GLN H H 8.082 0.007 . 78 521 12 GLN HA H 4.163 0.011 . 79 521 12 GLN HB2 H 2.349 0.015 . 80 521 12 GLN HB3 H 2.193 0.012 . 81 521 12 GLN HG2 H 2.585 0.011 . 82 521 12 GLN HG3 H 2.377 0.001 . 83 521 12 GLN C C 178.439 0.017 . 84 521 12 GLN CA C 59.321 0.136 . 85 521 12 GLN CB C 28.932 0.092 . 86 521 12 GLN CG C 34.169 0.153 . 87 521 12 GLN N N 123.452 0.122 . 88 522 13 VAL H H 8.289 0.007 . 89 522 13 VAL HA H 3.489 0.003 . 90 522 13 VAL HB H 2.252 0.010 . 91 522 13 VAL HG1 H 1.075 0.009 . 92 522 13 VAL HG2 H 0.903 0.010 . 93 522 13 VAL C C 179.392 0.000 . 94 522 13 VAL CA C 67.895 0.109 . 95 522 13 VAL CB C 31.597 0.135 . 96 522 13 VAL CG1 C 25.194 0.057 . 97 522 13 VAL CG2 C 21.060 0.086 . 98 522 13 VAL N N 119.508 0.101 . 99 523 14 VAL H H 7.651 0.006 . 100 523 14 VAL HA H 3.674 0.007 . 101 523 14 VAL HB H 2.242 0.010 . 102 523 14 VAL HG1 H 1.128 0.010 . 103 523 14 VAL HG2 H 0.992 0.008 . 104 523 14 VAL C C 178.592 0.013 . 105 523 14 VAL CA C 67.190 0.141 . 106 523 14 VAL CB C 31.892 0.096 . 107 523 14 VAL CG1 C 22.625 0.049 . 108 523 14 VAL N N 122.425 0.063 . 109 524 15 LYS H H 7.919 0.006 . 110 524 15 LYS HA H 4.066 0.009 . 111 524 15 LYS HB2 H 1.956 0.011 . 112 524 15 LYS HD2 H 1.700 0.004 . 113 524 15 LYS HD3 H 1.593 0.011 . 114 524 15 LYS HE2 H 2.966 0.002 . 115 524 15 LYS HG2 H 1.415 0.004 . 116 524 15 LYS C C 179.521 0.034 . 117 524 15 LYS CA C 60.001 0.170 . 118 524 15 LYS CB C 32.693 0.023 . 119 524 15 LYS CD C 29.258 0.001 . 120 524 15 LYS CG C 25.037 0.067 . 121 524 15 LYS N N 120.960 0.115 . 122 525 16 LEU H H 8.939 0.010 . 123 525 16 LEU HA H 4.164 0.005 . 124 525 16 LEU HB2 H 1.983 0.002 . 125 525 16 LEU HB3 H 1.316 0.000 . 126 525 16 LEU HD1 H 0.899 0.006 . 127 525 16 LEU HG H 0.977 0.001 . 128 525 16 LEU C C 179.118 0.032 . 129 525 16 LEU CA C 58.071 0.080 . 130 525 16 LEU CB C 43.853 0.053 . 131 525 16 LEU CD1 C 23.247 0.063 . 132 525 16 LEU CG C 27.694 0.005 . 133 525 16 LEU N N 119.646 0.067 . 134 526 17 THR H H 8.311 0.009 . 135 526 17 THR HA H 3.822 0.007 . 136 526 17 THR HB H 4.388 0.008 . 137 526 17 THR HG2 H 1.272 0.004 . 138 526 17 THR C C 176.638 0.000 . 139 526 17 THR CA C 67.923 0.136 . 140 526 17 THR CB C 68.655 0.041 . 141 526 17 THR CG2 C 20.975 0.169 . 142 526 17 THR N N 115.841 0.075 . 143 527 18 LYS H H 7.717 0.006 . 144 527 18 LYS HA H 4.112 0.011 . 145 527 18 LYS HB2 H 2.068 0.004 . 146 527 18 LYS HB3 H 1.963 0.008 . 147 527 18 LYS HD2 H 1.711 0.006 . 148 527 18 LYS HD3 H 1.593 0.013 . 149 527 18 LYS HE2 H 2.966 0.007 . 150 527 18 LYS HG2 H 1.426 0.012 . 151 527 18 LYS CA C 59.922 0.121 . 152 527 18 LYS CB C 32.354 0.094 . 153 527 18 LYS CE C 41.846 0.022 . 154 527 18 LYS N N 123.034 0.080 . 155 528 19 GLN H H 8.319 0.015 . 156 528 19 GLN HA H 4.149 0.000 . 157 528 19 GLN HB2 H 2.307 0.000 . 158 528 19 GLN HB3 H 2.145 0.000 . 159 528 19 GLN C C 179.236 0.020 . 160 528 19 GLN CA C 59.397 0.039 . 161 528 19 GLN CB C 29.175 0.039 . 162 528 19 GLN N N 119.343 0.030 . 163 529 20 LEU H H 8.869 0.004 . 164 529 20 LEU HA H 4.102 0.009 . 165 529 20 LEU HB2 H 2.000 0.011 . 166 529 20 LEU HB3 H 1.626 0.009 . 167 529 20 LEU HD1 H 0.916 0.006 . 168 529 20 LEU C C 179.709 0.040 . 169 529 20 LEU CA C 58.277 0.084 . 170 529 20 LEU CB C 41.808 0.096 . 171 529 20 LEU N N 121.333 0.026 . 172 530 21 LYS H H 8.126 0.007 . 173 530 21 LYS HA H 4.097 0.004 . 174 530 21 LYS HB2 H 2.046 0.004 . 175 530 21 LYS C C 178.925 0.000 . 176 530 21 LYS CA C 60.168 0.061 . 177 530 21 LYS CB C 31.957 0.061 . 178 530 21 LYS N N 122.900 0.064 . 179 531 22 GLU H H 8.138 0.012 . 180 531 22 GLU HA H 4.064 0.008 . 181 531 22 GLU HB2 H 2.104 0.001 . 182 531 22 GLU HG2 H 2.550 0.006 . 183 531 22 GLU HG3 H 2.288 0.005 . 184 531 22 GLU C C 179.710 0.041 . 185 531 22 GLU CA C 59.532 0.136 . 186 531 22 GLU CB C 29.446 0.108 . 187 531 22 GLU CG C 36.529 0.016 . 188 531 22 GLU N N 118.589 0.064 . 189 532 23 GLN H H 8.457 0.006 . 190 532 23 GLN HA H 4.139 0.007 . 191 532 23 GLN HB2 H 2.113 0.013 . 192 532 23 GLN C C 178.498 0.012 . 193 532 23 GLN CA C 58.563 0.046 . 194 532 23 GLN CB C 28.911 0.000 . 195 532 23 GLN N N 118.059 0.120 . 196 533 24 THR H H 8.325 0.014 . 197 533 24 THR HA H 4.106 0.008 . 198 533 24 THR HB H 4.430 0.006 . 199 533 24 THR HG2 H 1.265 0.007 . 200 533 24 THR C C 175.780 0.000 . 201 533 24 THR CA C 67.023 0.035 . 202 533 24 THR CG2 C 21.036 0.129 . 203 533 24 THR N N 117.397 0.081 . 204 534 25 VAL H H 7.935 0.025 . 205 534 25 VAL HA H 3.696 0.004 . 206 534 25 VAL HB H 2.213 0.008 . 207 534 25 VAL HG1 H 1.116 0.010 . 208 534 25 VAL HG2 H 0.974 0.005 . 209 534 25 VAL C C 179.333 0.000 . 210 534 25 VAL CA C 66.691 0.147 . 211 534 25 VAL CG1 C 22.749 0.040 . 212 534 25 VAL CG2 C 21.117 0.012 . 213 534 25 VAL N N 121.196 0.080 . 214 535 26 GLU H H 7.814 0.005 . 215 535 26 GLU HA H 4.113 0.007 . 216 535 26 GLU HB2 H 2.084 0.008 . 217 535 26 GLU HB3 H 2.011 0.002 . 218 535 26 GLU HG2 H 2.306 0.009 . 219 535 26 GLU C C 178.221 0.000 . 220 535 26 GLU CA C 59.597 0.105 . 221 535 26 GLU CB C 29.298 0.040 . 222 535 26 GLU CG C 36.250 0.130 . 223 535 26 GLU N N 120.430 0.050 . 224 536 27 ARG H H 8.367 0.012 . 225 536 27 ARG HA H 3.906 0.105 . 226 536 27 ARG HB2 H 1.772 0.006 . 227 536 27 ARG HB3 H 1.604 0.009 . 228 536 27 ARG HD2 H 3.203 0.005 . 229 536 27 ARG HG2 H 1.006 0.009 . 230 536 27 ARG C C 178.119 0.082 . 231 536 27 ARG CA C 60.845 0.080 . 232 536 27 ARG CB C 27.361 0.063 . 233 536 27 ARG CD C 43.008 0.051 . 234 536 27 ARG CG C 26.916 0.021 . 235 536 27 ARG N N 120.564 0.106 . 236 537 28 VAL H H 8.452 0.005 . 237 537 28 VAL HA H 3.691 0.009 . 238 537 28 VAL HB H 2.208 0.008 . 239 537 28 VAL HG1 H 1.102 0.007 . 240 537 28 VAL HG2 H 0.974 0.005 . 241 537 28 VAL C C 178.392 0.000 . 242 537 28 VAL CA C 66.670 0.129 . 243 537 28 VAL CB C 31.795 0.040 . 244 537 28 VAL CG1 C 22.823 0.000 . 245 537 28 VAL CG2 C 21.300 0.000 . 246 537 28 VAL N N 120.076 0.074 . 247 538 29 THR H H 8.165 0.009 . 248 538 29 THR HA H 3.985 0.005 . 249 538 29 THR HB H 4.415 0.009 . 250 538 29 THR HG2 H 1.273 0.005 . 251 538 29 THR C C 177.201 0.000 . 252 538 29 THR CA C 66.936 0.096 . 253 538 29 THR CB C 68.772 0.067 . 254 538 29 THR CG2 C 21.427 0.057 . 255 538 29 THR N N 117.307 0.092 . 256 539 30 LEU H H 8.145 0.006 . 257 539 30 LEU HA H 4.181 0.007 . 258 539 30 LEU HB2 H 2.132 0.018 . 259 539 30 LEU HB3 H 1.402 0.009 . 260 539 30 LEU HD1 H 0.979 0.009 . 261 539 30 LEU HD2 H 0.934 0.001 . 262 539 30 LEU HG H 1.911 0.011 . 263 539 30 LEU C C 178.786 0.037 . 264 539 30 LEU CA C 58.312 0.074 . 265 539 30 LEU CB C 42.965 0.117 . 266 539 30 LEU CD2 C 23.822 0.038 . 267 539 30 LEU CG C 27.471 0.031 . 268 539 30 LEU N N 122.885 0.051 . 269 540 31 GLN H H 8.739 0.008 . 270 540 31 GLN HA H 3.976 0.011 . 271 540 31 GLN HB2 H 2.351 0.012 . 272 540 31 GLN HB3 H 2.215 0.008 . 273 540 31 GLN HG2 H 2.504 0.008 . 274 540 31 GLN HG3 H 2.439 0.005 . 275 540 31 GLN C C 179.052 0.019 . 276 540 31 GLN CA C 59.485 0.180 . 277 540 31 GLN CB C 28.488 0.068 . 278 540 31 GLN CG C 34.413 0.087 . 279 540 31 GLN N N 119.660 0.061 . 280 541 32 ASN H H 8.467 0.005 . 281 541 32 ASN HA H 4.532 0.005 . 282 541 32 ASN HB2 H 3.040 0.006 . 283 541 32 ASN HB3 H 2.857 0.007 . 284 541 32 ASN C C 178.095 0.000 . 285 541 32 ASN CA C 56.010 0.136 . 286 541 32 ASN CB C 37.881 0.054 . 287 541 32 ASN N N 118.499 0.069 . 288 542 33 GLN H H 8.158 0.008 . 289 542 33 GLN HA H 4.029 0.005 . 290 542 33 GLN HB2 H 2.335 0.001 . 291 542 33 GLN HB3 H 2.140 0.008 . 292 542 33 GLN HG2 H 2.309 0.007 . 293 542 33 GLN C C 178.763 0.025 . 294 542 33 GLN CA C 58.964 0.069 . 295 542 33 GLN CB C 28.949 0.040 . 296 542 33 GLN CG C 33.855 0.141 . 297 542 33 GLN N N 121.150 0.054 . 298 543 34 LEU H H 8.606 0.010 . 299 543 34 LEU HA H 4.140 0.008 . 300 543 34 LEU HB2 H 1.932 0.007 . 301 543 34 LEU HB3 H 1.716 0.009 . 302 543 34 LEU HD1 H 1.012 0.004 . 303 543 34 LEU HD2 H 0.902 0.006 . 304 543 34 LEU HG H 1.007 0.008 . 305 543 34 LEU C C 178.395 0.026 . 306 543 34 LEU CA C 58.323 0.041 . 307 543 34 LEU CB C 41.979 0.043 . 308 543 34 LEU CD1 C 24.669 0.025 . 309 543 34 LEU CD2 C 22.622 0.081 . 310 543 34 LEU CG C 25.904 0.085 . 311 543 34 LEU N N 120.557 0.046 . 312 544 35 GLN H H 8.170 0.004 . 313 544 35 GLN HA H 3.969 0.008 . 314 544 35 GLN HB2 H 2.290 0.004 . 315 544 35 GLN HB3 H 2.190 0.008 . 316 544 35 GLN HG2 H 2.497 0.007 . 317 544 35 GLN C C 178.194 0.012 . 318 544 35 GLN CA C 59.060 0.171 . 319 544 35 GLN CB C 28.046 0.102 . 320 544 35 GLN CG C 33.320 0.170 . 321 544 35 GLN N N 117.978 0.062 . 322 545 36 GLN H H 7.786 0.010 . 323 545 36 GLN HA H 4.024 0.007 . 324 545 36 GLN HB2 H 2.043 0.007 . 325 545 36 GLN HB3 H 1.949 0.005 . 326 545 36 GLN HG2 H 2.298 0.005 . 327 545 36 GLN C C 178.864 0.013 . 328 545 36 GLN CA C 58.857 0.064 . 329 545 36 GLN CB C 28.112 0.075 . 330 545 36 GLN CG C 33.966 0.047 . 331 545 36 GLN N N 116.904 0.040 . 332 546 37 PHE H H 7.734 0.012 . 333 546 37 PHE HA H 4.233 0.007 . 334 546 37 PHE HB2 H 2.615 0.007 . 335 546 37 PHE HB3 H 2.321 0.006 . 336 546 37 PHE HD2 H 7.101 0.007 . 337 546 37 PHE HE2 H 7.227 0.006 . 338 546 37 PHE C C 178.078 0.000 . 339 546 37 PHE CA C 60.681 0.143 . 340 546 37 PHE CB C 38.124 0.040 . 341 546 37 PHE N N 119.594 0.060 . 342 547 38 LEU H H 8.240 0.009 . 343 547 38 LEU HA H 4.037 0.014 . 344 547 38 LEU HB2 H 1.896 0.009 . 345 547 38 LEU HB3 H 1.518 0.013 . 346 547 38 LEU HD1 H 0.911 0.005 . 347 547 38 LEU HG H 1.778 0.016 . 348 547 38 LEU C C 180.193 0.032 . 349 547 38 LEU CA C 57.303 0.092 . 350 547 38 LEU CB C 41.519 0.067 . 351 547 38 LEU CD1 C 22.853 0.110 . 352 547 38 LEU N N 119.925 0.058 . 353 548 39 GLU H H 8.273 0.005 . 354 548 39 GLU HA H 4.083 0.008 . 355 548 39 GLU HB2 H 2.063 0.004 . 356 548 39 GLU HG2 H 2.364 0.007 . 357 548 39 GLU C C 178.417 0.029 . 358 548 39 GLU CA C 58.494 0.039 . 359 548 39 GLU CB C 29.238 0.124 . 360 548 39 GLU CG C 36.370 0.032 . 361 548 39 GLU N N 119.463 0.111 . 362 549 40 ALA H H 7.714 0.007 . 363 549 40 ALA HA H 4.244 0.003 . 364 549 40 ALA HB H 1.498 0.004 . 365 549 40 ALA C C 179.123 0.025 . 366 549 40 ALA CA C 53.829 0.074 . 367 549 40 ALA CB C 18.330 0.047 . 368 549 40 ALA N N 122.046 0.046 . 369 550 41 GLN H H 7.825 0.007 . 370 550 41 GLN HA H 4.207 0.008 . 371 550 41 GLN HB2 H 2.211 0.006 . 372 550 41 GLN HB3 H 2.099 0.008 . 373 550 41 GLN HG2 H 2.413 0.010 . 374 550 41 GLN HG3 H 2.357 0.013 . 375 550 41 GLN C C 177.115 0.029 . 376 550 41 GLN CA C 56.917 0.107 . 377 550 41 GLN CB C 28.948 0.073 . 378 550 41 GLN CG C 34.150 0.065 . 379 550 41 GLN N N 117.391 0.030 . 380 551 42 LYS H H 7.905 0.007 . 381 551 42 LYS HA H 4.293 0.005 . 382 551 42 LYS HB2 H 1.895 0.006 . 383 551 42 LYS HD2 H 1.700 0.006 . 384 551 42 LYS HE2 H 2.983 0.008 . 385 551 42 LYS HG2 H 1.580 0.007 . 386 551 42 LYS HG3 H 1.474 0.015 . 387 551 42 LYS C C 177.498 0.030 . 388 551 42 LYS CA C 57.298 0.097 . 389 551 42 LYS CB C 32.903 0.203 . 390 551 42 LYS CD C 29.340 0.089 . 391 551 42 LYS CE C 42.250 0.000 . 392 551 42 LYS CG C 25.009 0.059 . 393 551 42 LYS N N 120.398 0.059 . 394 552 43 SER H H 8.144 0.005 . 395 552 43 SER HA H 4.438 0.005 . 396 552 43 SER HB2 H 3.926 0.006 . 397 552 43 SER C C 174.871 0.053 . 398 552 43 SER CA C 58.932 0.101 . 399 552 43 SER CB C 63.785 0.112 . 400 552 43 SER N N 115.839 0.042 . 401 553 44 GLU H H 8.267 0.008 . 402 553 44 GLU HA H 4.300 0.009 . 403 553 44 GLU HB2 H 2.115 0.008 . 404 553 44 GLU HB3 H 2.018 0.004 . 405 553 44 GLU HG2 H 2.321 0.009 . 406 553 44 GLU C C 177.103 0.009 . 407 553 44 GLU CA C 56.940 0.104 . 408 553 44 GLU CB C 29.992 0.104 . 409 553 44 GLU CG C 36.326 0.049 . 410 553 44 GLU N N 122.271 0.062 . 411 554 45 GLY H H 8.384 0.006 . 412 554 45 GLY HA2 H 3.963 0.002 . 413 554 45 GLY HA3 H 3.963 0.002 . 414 554 45 GLY C C 174.201 0.048 . 415 554 45 GLY CA C 45.474 0.083 . 416 554 45 GLY N N 109.533 0.059 . 417 555 46 LYS H H 8.064 0.006 . 418 555 46 LYS HA H 4.417 0.005 . 419 555 46 LYS HB2 H 1.876 0.006 . 420 555 46 LYS HB3 H 1.773 0.008 . 421 555 46 LYS HD2 H 1.703 0.004 . 422 555 46 LYS HE2 H 2.994 0.014 . 423 555 46 LYS HG2 H 1.438 0.038 . 424 555 46 LYS C C 176.485 0.026 . 425 555 46 LYS CA C 56.017 0.073 . 426 555 46 LYS CB C 33.281 0.039 . 427 555 46 LYS CD C 28.891 0.190 . 428 555 46 LYS CG C 24.721 0.041 . 429 555 46 LYS N N 120.660 0.042 . 430 556 47 SER H H 8.391 0.006 . 431 556 47 SER HA H 4.562 0.068 . 432 556 47 SER HB2 H 3.977 0.005 . 433 556 47 SER HB3 H 3.879 0.009 . 434 556 47 SER C C 173.556 0.025 . 435 556 47 SER CA C 58.444 0.091 . 436 556 47 SER CB C 64.149 0.057 . 437 556 47 SER N N 117.900 0.040 . 438 557 48 LEU H H 7.977 0.003 . 439 557 48 LEU HA H 4.187 0.013 . 440 557 48 LEU C C 182.530 0.000 . 441 557 48 LEU CA C 56.924 0.027 . 442 557 48 LEU CB C 43.335 0.000 . 443 557 48 LEU N N 129.921 0.024 . stop_ save_