data_11367 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of the human spliceosomal protein SF3b155 ; _BMRB_accession_number 11367 _BMRB_flat_file_name bmr11367.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Kuwasako K. . . 2 Dohmae N. . . 3 Inoue M. . . 4 Shirouzu M. . . 5 Guntert P. . . 6 Seraphin B. . . 7 Muto Y. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 285 "13C chemical shifts" 206 "15N chemical shifts" 42 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11366 'Assigned chemical shifts of the human spliceosomal protein complex p14-SF3b155' stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR solution structure of the human spliceosomal protein complex p14-SF3b155' _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 Kuwasako K. . . 2 Dohmae N. . . 3 Inoue M. . . 4 Shirouzu M. . . 5 Guntert P. . . 6 Seraphin B. . . 7 Muto Y. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'spliceosomal protein SF3b155' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'spliceosomal protein SF3b155, residues in database 379-424' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'spliceosomal protein SF3b155, residues in database 379-424' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 47 _Mol_residue_sequence ; GTPEQLQAWRWEREIDERNR PLSDEELDAMFPEGYKVLPP PAGYVPI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 THR 3 PRO 4 GLU 5 GLN 6 LEU 7 GLN 8 ALA 9 TRP 10 ARG 11 TRP 12 GLU 13 ARG 14 GLU 15 ILE 16 ASP 17 GLU 18 ARG 19 ASN 20 ARG 21 PRO 22 LEU 23 SER 24 ASP 25 GLU 26 GLU 27 LEU 28 ASP 29 ALA 30 MET 31 PHE 32 PRO 33 GLU 34 GLY 35 TYR 36 LYS 37 VAL 38 LEU 39 PRO 40 PRO 41 PRO 42 ALA 43 GLY 44 TYR 45 VAL 46 PRO 47 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 11366 "spliceosomal protein SF3b155, residues in database 379-424" 100.00 47 100.00 100.00 1.27e-24 PDB 2F9D "2.5 Angstrom Resolution Structure Of The Spliceosomal Protein P14 Bound To Region Of Sf3b155" 78.72 43 97.30 97.30 4.53e-16 PDB 2F9J "3.0 Angstrom Resolution Structure Of A Y22m Mutant Of The Spliceosomal Protein P14 Bound To A Region Of Sf3b155" 74.47 36 100.00 100.00 2.57e-15 PDB 2FHO "Nmr Solution Structure Of The Human Spliceosomal Protein Complex P14-Sf3b155" 100.00 47 100.00 100.00 1.27e-24 PDB 3LQV "Branch Recognition By Sf3b14" 78.72 39 100.00 100.00 4.33e-17 DBJ BAB28369 "unnamed protein product [Mus musculus]" 97.87 490 100.00 100.00 9.96e-23 DBJ BAB40140 "pre-mRNA splicing factor SF3b 155 kDa subunit [Mus musculus]" 97.87 1304 100.00 100.00 2.27e-22 DBJ BAE24537 "unnamed protein product [Mus musculus]" 97.87 781 100.00 100.00 2.42e-22 DBJ BAE27592 "unnamed protein product [Mus musculus]" 97.87 497 100.00 100.00 1.09e-22 EMBL CAA70201 "146kDa nuclear protein [Xenopus laevis]" 97.87 1307 100.00 100.00 2.19e-22 GB AAC97189 "spliceosomal protein SAP 155 [Homo sapiens]" 97.87 1304 100.00 100.00 2.21e-22 GB AAG01404 "spliceosomal protein SAP155 [Rattus norvegicus]" 97.87 496 97.83 97.83 1.04e-21 GB AAH03419 "Sf3b1 protein, partial [Mus musculus]" 97.87 496 100.00 100.00 9.88e-23 GB AAH15530 "SF3B1 protein, partial [Homo sapiens]" 97.87 496 100.00 100.00 9.88e-23 GB AAH28959 "Sf3b1 protein, partial [Mus musculus]" 97.87 496 100.00 100.00 9.88e-23 REF NP_001084150 "splicing factor 3B subunit 1 [Xenopus laevis]" 97.87 1307 100.00 100.00 2.19e-22 REF NP_001179923 "splicing factor 3B subunit 1 [Bos taurus]" 97.87 1304 100.00 100.00 2.30e-22 REF NP_001252892 "splicing factor 3B subunit 1 [Macaca mulatta]" 97.87 1304 100.00 100.00 2.27e-22 REF NP_036565 "splicing factor 3B subunit 1 isoform 1 [Homo sapiens]" 97.87 1304 100.00 100.00 2.27e-22 REF NP_112456 "splicing factor 3B subunit 1 [Mus musculus]" 97.87 1304 100.00 100.00 2.27e-22 SP O57683 "RecName: Full=Splicing factor 3B subunit 1; AltName: Full=146 kDa nuclear protein; AltName: Full=Pre-mRNA-splicing factor SF3b " 97.87 1307 100.00 100.00 2.19e-22 SP O75533 "RecName: Full=Splicing factor 3B subunit 1; AltName: Full=Pre-mRNA-splicing factor SF3b 155 kDa subunit; Short=SF3b155; AltName" 97.87 1304 100.00 100.00 2.27e-22 SP Q99NB9 "RecName: Full=Splicing factor 3B subunit 1; AltName: Full=Pre-mRNA-splicing factor SF3b 155 kDa subunit; Short=SF3b155; AltName" 97.87 1304 100.00 100.00 2.27e-22 TPG DAA32571 "TPA: splicing factor 3b, subunit 1, 155kDa [Bos taurus]" 97.87 1304 100.00 100.00 2.30e-22 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_1 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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid PGEX6P-1-SF3B155(379-424)-HIS6-P14(8-93) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM Sodium Phosphate buffer (pH 6.5), 100mM NaCl, 1mM {d-DTT;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 300 mM . 'Sodium Phosphate' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_kujira _Saveframe_category software _Name Kujira _Version 0.8995 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Koradi, R.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 0.1 mM pH 6.5 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $kujira $CYANA $OPALP stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'spliceosomal protein SF3b155, residues in database 379-424' _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 GLY HA2 H 3.904 0.030 2 2 1 1 GLY HA3 H 3.804 0.030 2 3 1 1 GLY CA C 43.381 0.300 1 4 2 2 THR HA H 4.619 0.030 1 5 2 2 THR HB H 4.278 0.030 1 6 2 2 THR HG2 H 1.235 0.030 1 7 2 2 THR CA C 60.486 0.300 1 8 2 2 THR CB C 69.266 0.300 1 9 2 2 THR CG2 C 21.797 0.300 1 10 3 3 PRO HA H 4.314 0.030 1 11 3 3 PRO HB2 H 2.293 0.030 2 12 3 3 PRO HB3 H 1.844 0.030 2 13 3 3 PRO HD2 H 3.848 0.030 2 14 3 3 PRO HD3 H 3.724 0.030 2 15 3 3 PRO HG2 H 2.051 0.030 2 16 3 3 PRO HG3 H 1.961 0.030 2 17 3 3 PRO C C 177.723 0.300 1 18 3 3 PRO CA C 64.303 0.300 1 19 3 3 PRO CB C 31.932 0.300 1 20 3 3 PRO CD C 50.895 0.300 1 21 3 3 PRO CG C 27.701 0.300 1 22 4 4 GLU H H 8.529 0.030 1 23 4 4 GLU HA H 4.093 0.030 1 24 4 4 GLU HB2 H 1.949 0.030 1 25 4 4 GLU HB3 H 1.949 0.030 1 26 4 4 GLU HG2 H 2.257 0.030 1 27 4 4 GLU HG3 H 2.257 0.030 1 28 4 4 GLU C C 177.479 0.300 1 29 4 4 GLU CA C 58.046 0.300 1 30 4 4 GLU CB C 29.647 0.300 1 31 4 4 GLU CG C 36.507 0.300 1 32 4 4 GLU N N 119.874 0.300 1 33 5 5 GLN H H 8.124 0.030 1 34 5 5 GLN HA H 4.161 0.030 1 35 5 5 GLN HB2 H 1.973 0.030 2 36 5 5 GLN HB3 H 1.942 0.030 2 37 5 5 GLN HE21 H 7.442 0.030 2 38 5 5 GLN HE22 H 6.801 0.030 2 39 5 5 GLN HG2 H 2.287 0.030 1 40 5 5 GLN HG3 H 2.287 0.030 1 41 5 5 GLN C C 176.558 0.300 1 42 5 5 GLN CA C 56.627 0.300 1 43 5 5 GLN CB C 29.054 0.300 1 44 5 5 GLN CG C 33.976 0.300 1 45 5 5 GLN N N 120.679 0.300 1 46 5 5 GLN NE2 N 112.191 0.300 1 47 6 6 LEU H H 8.039 0.030 1 48 6 6 LEU HA H 4.214 0.030 1 49 6 6 LEU HB2 H 1.615 0.030 2 50 6 6 LEU HB3 H 1.551 0.030 2 51 6 6 LEU HD1 H 0.842 0.030 1 52 6 6 LEU HD2 H 0.808 0.030 1 53 6 6 LEU HG H 1.564 0.030 1 54 6 6 LEU C C 177.804 0.300 1 55 6 6 LEU CA C 55.997 0.300 1 56 6 6 LEU CB C 42.110 0.300 1 57 6 6 LEU CD1 C 24.853 0.300 2 58 6 6 LEU CD2 C 23.376 0.300 2 59 6 6 LEU CG C 27.080 0.300 1 60 6 6 LEU N N 121.974 0.300 1 61 7 7 GLN H H 8.063 0.030 1 62 7 7 GLN HA H 4.110 0.030 1 63 7 7 GLN HB2 H 1.843 0.030 1 64 7 7 GLN HB3 H 1.843 0.030 1 65 7 7 GLN HE21 H 7.348 0.030 2 66 7 7 GLN HE22 H 6.818 0.030 2 67 7 7 GLN HG2 H 2.226 0.030 1 68 7 7 GLN HG3 H 2.226 0.030 1 69 7 7 GLN C C 176.115 0.300 1 70 7 7 GLN CA C 56.333 0.300 1 71 7 7 GLN CB C 28.872 0.300 1 72 7 7 GLN CG C 33.682 0.300 1 73 7 7 GLN N N 119.760 0.300 1 74 7 7 GLN NE2 N 112.210 0.300 1 75 8 8 ALA H H 7.981 0.030 1 76 8 8 ALA HA H 4.062 0.030 1 77 8 8 ALA HB H 1.306 0.030 1 78 8 8 ALA C C 178.025 0.300 1 79 8 8 ALA CA C 53.458 0.300 1 80 8 8 ALA CB C 18.815 0.300 1 81 8 8 ALA N N 123.794 0.300 1 82 9 9 TRP H H 7.899 0.030 1 83 9 9 TRP HA H 4.476 0.030 1 84 9 9 TRP HB2 H 3.192 0.030 2 85 9 9 TRP HB3 H 3.146 0.030 2 86 9 9 TRP HD1 H 7.101 0.030 1 87 9 9 TRP HE1 H 9.997 0.030 1 88 9 9 TRP HE3 H 7.468 0.030 1 89 9 9 TRP HH2 H 7.126 0.030 1 90 9 9 TRP HZ2 H 7.371 0.030 1 91 9 9 TRP HZ3 H 7.035 0.030 1 92 9 9 TRP C C 176.621 0.300 1 93 9 9 TRP CA C 57.808 0.300 1 94 9 9 TRP CB C 29.139 0.300 1 95 9 9 TRP CD1 C 126.979 0.300 1 96 9 9 TRP CE3 C 120.768 0.300 1 97 9 9 TRP CH2 C 124.572 0.300 1 98 9 9 TRP CZ2 C 114.526 0.300 1 99 9 9 TRP CZ3 C 121.930 0.300 1 100 9 9 TRP N N 119.154 0.300 1 101 9 9 TRP NE1 N 129.252 0.300 1 102 10 10 ARG H H 7.671 0.030 1 103 10 10 ARG HA H 3.963 0.030 1 104 10 10 ARG HB2 H 1.512 0.030 2 105 10 10 ARG HB3 H 1.420 0.030 2 106 10 10 ARG HD2 H 2.948 0.030 1 107 10 10 ARG HD3 H 2.948 0.030 1 108 10 10 ARG HG2 H 1.180 0.030 1 109 10 10 ARG HG3 H 1.180 0.030 1 110 10 10 ARG C C 176.274 0.300 1 111 10 10 ARG CA C 56.884 0.300 1 112 10 10 ARG CB C 30.480 0.300 1 113 10 10 ARG CD C 43.314 0.300 1 114 10 10 ARG CG C 26.892 0.300 1 115 10 10 ARG N N 121.565 0.300 1 116 11 11 TRP H H 7.763 0.030 1 117 11 11 TRP HA H 4.512 0.030 1 118 11 11 TRP HB2 H 3.247 0.030 2 119 11 11 TRP HB3 H 3.149 0.030 2 120 11 11 TRP HD1 H 7.171 0.030 1 121 11 11 TRP HE1 H 10.082 0.030 1 122 11 11 TRP HE3 H 7.506 0.030 1 123 11 11 TRP HZ3 H 7.064 0.030 1 124 11 11 TRP C C 176.612 0.300 1 125 11 11 TRP CA C 57.735 0.300 1 126 11 11 TRP CB C 29.538 0.300 1 127 11 11 TRP CD1 C 127.053 0.300 1 128 11 11 TRP CE3 C 120.815 0.300 1 129 11 11 TRP CZ3 C 121.974 0.300 1 130 11 11 TRP N N 120.669 0.300 1 131 11 11 TRP NE1 N 129.207 0.300 1 132 12 12 GLU H H 8.147 0.030 1 133 12 12 GLU HA H 4.070 0.030 1 134 12 12 GLU HB2 H 1.938 0.030 2 135 12 12 GLU HB3 H 1.868 0.030 2 136 12 12 GLU HG2 H 2.126 0.030 1 137 12 12 GLU HG3 H 2.126 0.030 1 138 12 12 GLU C C 176.594 0.300 1 139 12 12 GLU CA C 57.322 0.300 1 140 12 12 GLU CB C 30.114 0.300 1 141 12 12 GLU CG C 36.192 0.300 1 142 12 12 GLU N N 121.147 0.300 1 143 13 13 ARG H H 7.881 0.030 1 144 13 13 ARG HA H 4.166 0.030 1 145 13 13 ARG HB2 H 1.748 0.030 2 146 13 13 ARG HB3 H 1.641 0.030 2 147 13 13 ARG HD2 H 3.030 0.030 1 148 13 13 ARG HD3 H 3.030 0.030 1 149 13 13 ARG HG2 H 1.490 0.030 1 150 13 13 ARG HG3 H 1.490 0.030 1 151 13 13 ARG C C 176.363 0.300 1 152 13 13 ARG CA C 56.384 0.300 1 153 13 13 ARG CB C 30.882 0.300 1 154 13 13 ARG CD C 43.307 0.300 1 155 13 13 ARG CG C 26.990 0.300 1 156 13 13 ARG N N 119.786 0.300 1 157 14 14 GLU H H 8.206 0.030 1 158 14 14 GLU HA H 4.182 0.030 1 159 14 14 GLU HB2 H 2.016 0.030 2 160 14 14 GLU HB3 H 1.922 0.030 2 161 14 14 GLU HG2 H 2.248 0.030 1 162 14 14 GLU HG3 H 2.248 0.030 1 163 14 14 GLU C C 176.841 0.300 1 164 14 14 GLU CA C 57.160 0.300 1 165 14 14 GLU CB C 29.925 0.300 1 166 14 14 GLU CG C 36.172 0.300 1 167 14 14 GLU N N 120.760 0.300 1 168 15 15 ILE H H 7.926 0.030 1 169 15 15 ILE HA H 4.019 0.030 1 170 15 15 ILE HB H 1.773 0.030 1 171 15 15 ILE HD1 H 0.760 0.030 1 172 15 15 ILE HG12 H 1.373 0.030 2 173 15 15 ILE HG13 H 1.088 0.030 2 174 15 15 ILE HG2 H 0.805 0.030 1 175 15 15 ILE C C 176.038 0.300 1 176 15 15 ILE CA C 61.663 0.300 1 177 15 15 ILE CB C 38.769 0.300 1 178 15 15 ILE CD1 C 13.033 0.300 1 179 15 15 ILE CG1 C 27.467 0.300 1 180 15 15 ILE CG2 C 17.488 0.300 1 181 15 15 ILE N N 120.281 0.300 1 182 16 16 ASP H H 8.093 0.030 1 183 16 16 ASP HA H 4.548 0.030 1 184 16 16 ASP HB2 H 2.701 0.030 2 185 16 16 ASP HB3 H 2.605 0.030 2 186 16 16 ASP C C 176.675 0.300 1 187 16 16 ASP CA C 54.400 0.300 1 188 16 16 ASP CB C 41.431 0.300 1 189 16 16 ASP N N 123.243 0.300 1 190 17 17 GLU H H 8.383 0.030 1 191 17 17 GLU HA H 4.135 0.030 1 192 17 17 GLU HB2 H 2.051 0.030 2 193 17 17 GLU HB3 H 1.949 0.030 2 194 17 17 GLU HG2 H 2.256 0.030 2 195 17 17 GLU HG3 H 2.210 0.030 2 196 17 17 GLU C C 177.022 0.300 1 197 17 17 GLU CA C 57.507 0.300 1 198 17 17 GLU CB C 29.804 0.300 1 199 17 17 GLU CG C 36.172 0.300 1 200 17 17 GLU N N 121.757 0.300 1 201 18 18 ARG H H 8.182 0.030 1 202 18 18 ARG HA H 4.185 0.030 1 203 18 18 ARG HB2 H 1.810 0.030 2 204 18 18 ARG HB3 H 1.770 0.030 2 205 18 18 ARG HD2 H 3.148 0.030 1 206 18 18 ARG HD3 H 3.148 0.030 1 207 18 18 ARG HG2 H 1.610 0.030 1 208 18 18 ARG HG3 H 1.610 0.030 1 209 18 18 ARG C C 176.476 0.300 1 210 18 18 ARG CA C 57.006 0.300 1 211 18 18 ARG CB C 30.494 0.300 1 212 18 18 ARG CD C 43.407 0.300 1 213 18 18 ARG CG C 26.973 0.300 1 214 18 18 ARG N N 119.679 0.300 1 215 19 19 ASN H H 8.141 0.030 1 216 19 19 ASN HA H 4.664 0.030 1 217 19 19 ASN HB2 H 2.794 0.030 2 218 19 19 ASN HB3 H 2.688 0.030 2 219 19 19 ASN HD21 H 7.612 0.030 2 220 19 19 ASN HD22 H 6.822 0.030 2 221 19 19 ASN C C 174.538 0.300 1 222 19 19 ASN CA C 53.195 0.300 1 223 19 19 ASN CB C 38.924 0.300 1 224 19 19 ASN N N 117.822 0.300 1 225 19 19 ASN ND2 N 112.971 0.300 1 226 20 20 ARG H H 7.868 0.030 1 227 20 20 ARG HA H 4.522 0.030 1 228 20 20 ARG HB2 H 1.795 0.030 2 229 20 20 ARG HB3 H 1.691 0.030 2 230 20 20 ARG HD2 H 3.124 0.030 1 231 20 20 ARG HD3 H 3.124 0.030 1 232 20 20 ARG HG2 H 1.571 0.030 1 233 20 20 ARG HG3 H 1.571 0.030 1 234 20 20 ARG C C 173.743 0.300 1 235 20 20 ARG CA C 54.270 0.300 1 236 20 20 ARG CB C 30.132 0.300 1 237 20 20 ARG CD C 43.434 0.300 1 238 20 20 ARG CG C 26.621 0.300 1 239 20 20 ARG N N 121.563 0.300 1 240 21 21 PRO HA H 4.411 0.030 1 241 21 21 PRO HB2 H 2.219 0.030 2 242 21 21 PRO HB3 H 1.854 0.030 2 243 21 21 PRO HD2 H 3.709 0.030 2 244 21 21 PRO HD3 H 3.541 0.030 2 245 21 21 PRO HG2 H 1.927 0.030 1 246 21 21 PRO HG3 H 1.927 0.030 1 247 21 21 PRO C C 176.802 0.300 1 248 21 21 PRO CA C 62.955 0.300 1 249 21 21 PRO CB C 31.947 0.300 1 250 21 21 PRO CD C 50.579 0.300 1 251 21 21 PRO CG C 27.307 0.300 1 252 22 22 LEU H H 8.226 0.030 1 253 22 22 LEU HA H 4.351 0.030 1 254 22 22 LEU HB2 H 1.592 0.030 2 255 22 22 LEU HB3 H 1.479 0.030 2 256 22 22 LEU HD1 H 0.858 0.030 1 257 22 22 LEU HD2 H 0.797 0.030 1 258 22 22 LEU HG H 1.649 0.030 1 259 22 22 LEU C C 177.394 0.300 1 260 22 22 LEU CA C 55.073 0.300 1 261 22 22 LEU CB C 42.793 0.300 1 262 22 22 LEU CD1 C 25.562 0.300 2 263 22 22 LEU CD2 C 23.499 0.300 2 264 22 22 LEU CG C 27.259 0.300 1 265 22 22 LEU N N 122.784 0.300 1 266 23 23 SER H H 8.684 0.030 1 267 23 23 SER HA H 4.453 0.030 1 268 23 23 SER HB2 H 4.124 0.030 2 269 23 23 SER HB3 H 3.901 0.030 2 270 23 23 SER C C 174.520 0.300 1 271 23 23 SER CA C 57.468 0.300 1 272 23 23 SER CB C 64.905 0.300 1 273 23 23 SER N N 117.673 0.300 1 274 24 24 ASP H H 8.649 0.030 1 275 24 24 ASP HA H 4.403 0.030 1 276 24 24 ASP HB2 H 2.685 0.030 2 277 24 24 ASP HB3 H 2.576 0.030 2 278 24 24 ASP C C 177.476 0.300 1 279 24 24 ASP CA C 56.582 0.300 1 280 24 24 ASP CB C 40.402 0.300 1 281 24 24 ASP N N 121.941 0.300 1 282 25 25 GLU H H 8.433 0.030 1 283 25 25 GLU HA H 4.118 0.030 1 284 25 25 GLU HB2 H 1.959 0.030 1 285 25 25 GLU HB3 H 1.959 0.030 1 286 25 25 GLU HG2 H 2.262 0.030 1 287 25 25 GLU HG3 H 2.262 0.030 1 288 25 25 GLU C C 178.409 0.300 1 289 25 25 GLU CA C 58.639 0.300 1 290 25 25 GLU CB C 29.630 0.300 1 291 25 25 GLU CG C 36.614 0.300 1 292 25 25 GLU N N 119.276 0.300 1 293 26 26 GLU H H 7.910 0.030 1 294 26 26 GLU HA H 4.079 0.030 1 295 26 26 GLU HB2 H 2.117 0.030 2 296 26 26 GLU HB3 H 1.973 0.030 2 297 26 26 GLU HG2 H 2.183 0.030 2 298 26 26 GLU HG3 H 2.260 0.030 2 299 26 26 GLU C C 178.155 0.300 1 300 26 26 GLU CA C 58.008 0.300 1 301 26 26 GLU CB C 30.327 0.300 1 302 26 26 GLU CG C 37.139 0.300 1 303 26 26 GLU N N 120.895 0.300 1 304 27 27 LEU H H 8.148 0.030 1 305 27 27 LEU HA H 4.102 0.030 1 306 27 27 LEU HB2 H 1.697 0.030 2 307 27 27 LEU HB3 H 1.464 0.030 2 308 27 27 LEU HD1 H 0.827 0.030 1 309 27 27 LEU HD2 H 0.813 0.030 1 310 27 27 LEU HG H 1.598 0.030 1 311 27 27 LEU C C 178.304 0.300 1 312 27 27 LEU CA C 57.090 0.300 1 313 27 27 LEU CB C 42.058 0.300 1 314 27 27 LEU CD1 C 25.226 0.300 2 315 27 27 LEU CD2 C 23.915 0.300 2 316 27 27 LEU CG C 26.889 0.300 1 317 27 27 LEU N N 121.789 0.300 1 318 28 28 ASP H H 8.128 0.030 1 319 28 28 ASP HA H 4.408 0.030 1 320 28 28 ASP HB2 H 2.632 0.030 1 321 28 28 ASP HB3 H 2.632 0.030 1 322 28 28 ASP C C 176.986 0.300 1 323 28 28 ASP CA C 55.880 0.300 1 324 28 28 ASP CB C 41.003 0.300 1 325 28 28 ASP N N 119.254 0.300 1 326 29 29 ALA H H 7.552 0.030 1 327 29 29 ALA HA H 4.144 0.030 1 328 29 29 ALA HB H 1.350 0.030 1 329 29 29 ALA C C 178.339 0.300 1 330 29 29 ALA CA C 53.139 0.300 1 331 29 29 ALA CB C 18.897 0.300 1 332 29 29 ALA N N 120.631 0.300 1 333 30 30 MET H H 7.792 0.030 1 334 30 30 MET HA H 4.103 0.030 1 335 30 30 MET HB2 H 2.352 0.030 2 336 30 30 MET HB3 H 2.153 0.030 2 337 30 30 MET HE H 1.930 0.030 1 338 30 30 MET HG2 H 1.825 0.030 2 339 30 30 MET HG3 H 1.646 0.030 2 340 30 30 MET C C 175.620 0.300 1 341 30 30 MET CA C 56.513 0.300 1 342 30 30 MET CB C 31.981 0.300 1 343 30 30 MET CE C 16.872 0.300 1 344 30 30 MET CG C 33.488 0.300 1 345 30 30 MET N N 117.176 0.300 1 346 31 31 PHE H H 7.870 0.030 1 347 31 31 PHE HA H 4.870 0.030 1 348 31 31 PHE HB2 H 2.821 0.030 2 349 31 31 PHE HB3 H 2.966 0.030 2 350 31 31 PHE HD1 H 7.160 0.030 1 351 31 31 PHE HD2 H 7.160 0.030 1 352 31 31 PHE HE1 H 7.207 0.030 1 353 31 31 PHE HE2 H 7.207 0.030 1 354 31 31 PHE C C 173.683 0.300 1 355 31 31 PHE CA C 55.304 0.300 1 356 31 31 PHE CB C 39.156 0.300 1 357 31 31 PHE CD1 C 132.306 0.300 1 358 31 31 PHE CD2 C 132.306 0.300 1 359 31 31 PHE CE1 C 131.093 0.300 1 360 31 31 PHE CE2 C 131.093 0.300 1 361 31 31 PHE N N 118.794 0.300 1 362 32 32 PRO HA H 4.426 0.030 1 363 32 32 PRO HB2 H 2.268 0.030 2 364 32 32 PRO HB3 H 1.910 0.030 2 365 32 32 PRO HD2 H 3.498 0.030 1 366 32 32 PRO HD3 H 3.498 0.030 1 367 32 32 PRO HG2 H 1.925 0.030 1 368 32 32 PRO HG3 H 1.925 0.030 1 369 32 32 PRO C C 177.409 0.300 1 370 32 32 PRO CA C 63.810 0.300 1 371 32 32 PRO CB C 32.047 0.300 1 372 32 32 PRO CD C 50.487 0.300 1 373 32 32 PRO CG C 27.360 0.300 1 374 33 33 GLU H H 8.624 0.030 1 375 33 33 GLU HA H 4.226 0.030 1 376 33 33 GLU HB2 H 2.049 0.030 2 377 33 33 GLU HB3 H 1.944 0.030 2 378 33 33 GLU HG2 H 2.254 0.030 1 379 33 33 GLU HG3 H 2.254 0.030 1 380 33 33 GLU C C 177.196 0.300 1 381 33 33 GLU CA C 57.119 0.300 1 382 33 33 GLU CB C 29.688 0.300 1 383 33 33 GLU CG C 36.256 0.300 1 384 33 33 GLU N N 119.521 0.300 1 385 34 34 GLY H H 8.271 0.030 1 386 34 34 GLY HA2 H 3.763 0.030 2 387 34 34 GLY HA3 H 4.043 0.030 2 388 34 34 GLY C C 173.755 0.300 1 389 34 34 GLY CA C 45.172 0.300 1 390 34 34 GLY N N 110.040 0.300 1 391 35 35 TYR H H 7.944 0.030 1 392 35 35 TYR HA H 4.365 0.030 1 393 35 35 TYR HB2 H 2.858 0.030 1 394 35 35 TYR HB3 H 2.858 0.030 1 395 35 35 TYR HD1 H 6.867 0.030 1 396 35 35 TYR HD2 H 6.867 0.030 1 397 35 35 TYR HE1 H 6.660 0.030 1 398 35 35 TYR HE2 H 6.660 0.030 1 399 35 35 TYR C C 175.161 0.300 1 400 35 35 TYR CA C 58.151 0.300 1 401 35 35 TYR CB C 38.789 0.300 1 402 35 35 TYR CD1 C 133.094 0.300 1 403 35 35 TYR CD2 C 133.094 0.300 1 404 35 35 TYR CE1 C 118.187 0.300 1 405 35 35 TYR CE2 C 118.187 0.300 1 406 35 35 TYR N N 120.286 0.300 1 407 36 36 LYS H H 7.846 0.030 1 408 36 36 LYS HA H 4.139 0.030 1 409 36 36 LYS HB2 H 1.640 0.030 2 410 36 36 LYS HB3 H 1.540 0.030 2 411 36 36 LYS HD2 H 1.545 0.030 1 412 36 36 LYS HD3 H 1.545 0.030 1 413 36 36 LYS HE2 H 2.871 0.030 1 414 36 36 LYS HE3 H 2.871 0.030 1 415 36 36 LYS HG2 H 1.185 0.030 1 416 36 36 LYS HG3 H 1.185 0.030 1 417 36 36 LYS C C 175.400 0.300 1 418 36 36 LYS CA C 55.905 0.300 1 419 36 36 LYS CB C 33.352 0.300 1 420 36 36 LYS CD C 29.088 0.300 1 421 36 36 LYS CE C 42.153 0.300 1 422 36 36 LYS CG C 24.672 0.300 1 423 36 36 LYS N N 123.472 0.300 1 424 37 37 VAL H H 7.867 0.030 1 425 37 37 VAL HA H 3.958 0.030 1 426 37 37 VAL HB H 1.928 0.030 1 427 37 37 VAL HG1 H 0.842 0.030 1 428 37 37 VAL HG2 H 0.835 0.030 1 429 37 37 VAL C C 175.647 0.300 1 430 37 37 VAL CA C 62.046 0.300 1 431 37 37 VAL CB C 32.717 0.300 1 432 37 37 VAL CG1 C 20.701 0.300 2 433 37 37 VAL CG2 C 21.163 0.300 2 434 37 37 VAL N N 121.371 0.300 1 435 38 38 LEU H H 8.231 0.030 1 436 38 38 LEU HA H 4.566 0.030 1 437 38 38 LEU HB2 H 1.528 0.030 2 438 38 38 LEU HB3 H 1.485 0.030 2 439 38 38 LEU HD1 H 0.868 0.030 1 440 38 38 LEU HD2 H 0.825 0.030 1 441 38 38 LEU HG H 1.601 0.030 1 442 38 38 LEU C C 174.439 0.300 1 443 38 38 LEU CA C 52.681 0.300 1 444 38 38 LEU CB C 41.760 0.300 1 445 38 38 LEU CD1 C 25.190 0.300 2 446 38 38 LEU CD2 C 23.435 0.300 2 447 38 38 LEU CG C 26.937 0.300 1 448 38 38 LEU N N 128.209 0.300 1 449 39 39 PRO HA H 4.570 0.030 1 450 39 39 PRO HB2 H 1.787 0.030 2 451 39 39 PRO HB3 H 2.161 0.030 2 452 39 39 PRO HD2 H 3.548 0.030 2 453 39 39 PRO HD3 H 3.767 0.030 2 454 39 39 PRO HG2 H 1.930 0.030 1 455 39 39 PRO HG3 H 1.930 0.030 1 456 39 39 PRO CA C 61.279 0.300 1 457 39 39 PRO CB C 30.650 0.300 1 458 39 39 PRO CD C 50.476 0.300 1 459 39 39 PRO CG C 27.324 0.300 1 460 40 40 PRO HA H 4.600 0.030 1 461 40 40 PRO HB2 H 1.815 0.030 2 462 40 40 PRO HB3 H 2.231 0.030 2 463 40 40 PRO HD2 H 3.455 0.030 2 464 40 40 PRO HD3 H 3.690 0.030 2 465 40 40 PRO HG2 H 1.925 0.030 1 466 40 40 PRO HG3 H 1.925 0.030 1 467 40 40 PRO CA C 61.203 0.300 1 468 40 40 PRO CB C 30.640 0.300 1 469 40 40 PRO CD C 50.263 0.300 1 470 40 40 PRO CG C 27.186 0.300 1 471 41 41 PRO HA H 4.336 0.030 1 472 41 41 PRO HB2 H 1.854 0.030 2 473 41 41 PRO HB3 H 2.217 0.030 2 474 41 41 PRO HD2 H 3.715 0.030 2 475 41 41 PRO HD3 H 3.490 0.030 2 476 41 41 PRO HG2 H 1.939 0.030 1 477 41 41 PRO HG3 H 1.939 0.030 1 478 41 41 PRO C C 176.680 0.300 1 479 41 41 PRO CA C 62.908 0.300 1 480 41 41 PRO CB C 32.004 0.300 1 481 41 41 PRO CD C 50.251 0.300 1 482 41 41 PRO CG C 27.307 0.300 1 483 42 42 ALA H H 8.322 0.030 1 484 42 42 ALA HA H 4.231 0.030 1 485 42 42 ALA HB H 1.341 0.030 1 486 42 42 ALA C C 178.404 0.300 1 487 42 42 ALA CA C 52.794 0.300 1 488 42 42 ALA CB C 19.015 0.300 1 489 42 42 ALA N N 123.893 0.300 1 490 43 43 GLY H H 8.338 0.030 1 491 43 43 GLY HA2 H 3.903 0.030 2 492 43 43 GLY HA3 H 3.825 0.030 2 493 43 43 GLY C C 173.492 0.300 1 494 43 43 GLY CA C 45.114 0.300 1 495 43 43 GLY N N 108.432 0.300 1 496 44 44 TYR H H 7.889 0.030 1 497 44 44 TYR HA H 4.473 0.030 1 498 44 44 TYR HB2 H 2.957 0.030 2 499 44 44 TYR HB3 H 2.852 0.030 2 500 44 44 TYR HD1 H 7.014 0.030 1 501 44 44 TYR HD2 H 7.014 0.030 1 502 44 44 TYR HE1 H 6.757 0.030 1 503 44 44 TYR HE2 H 6.757 0.030 1 504 44 44 TYR C C 174.907 0.300 1 505 44 44 TYR CA C 58.149 0.300 1 506 44 44 TYR CB C 38.998 0.300 1 507 44 44 TYR CD1 C 133.046 0.300 1 508 44 44 TYR CD2 C 133.046 0.300 1 509 44 44 TYR CE1 C 118.082 0.300 1 510 44 44 TYR CE2 C 118.082 0.300 1 511 44 44 TYR N N 120.631 0.300 1 512 45 45 VAL H H 7.861 0.030 1 513 45 45 VAL HA H 4.249 0.030 1 514 45 45 VAL HB H 1.919 0.030 1 515 45 45 VAL HG1 H 0.886 0.030 1 516 45 45 VAL HG2 H 0.827 0.030 1 517 45 45 VAL C C 172.831 0.300 1 518 45 45 VAL CA C 59.242 0.300 1 519 45 45 VAL CB C 33.403 0.300 1 520 45 45 VAL CG1 C 21.054 0.300 2 521 45 45 VAL CG2 C 20.357 0.300 2 522 45 45 VAL N N 127.084 0.300 1 523 46 46 PRO HA H 4.066 0.030 1 524 46 46 PRO HB2 H 1.850 0.030 2 525 46 46 PRO HB3 H 2.206 0.030 2 526 46 46 PRO HD2 H 3.582 0.030 2 527 46 46 PRO HD3 H 3.485 0.030 2 528 46 46 PRO HG2 H 1.866 0.030 2 529 46 46 PRO HG3 H 1.929 0.030 2 530 46 46 PRO CA C 64.331 0.300 1 531 46 46 PRO CB C 32.138 0.300 1 532 46 46 PRO CD C 50.646 0.300 1 533 46 46 PRO CG C 27.081 0.300 1 stop_ save_