data_11366 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of the human spliceosomal protein complex p14-SF3b155 ; _BMRB_accession_number 11366 _BMRB_flat_file_name bmr11366.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 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 680 "13C chemical shifts" 516 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11367 'Assigned chemical shifts of the human spliceosomal protein 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 complex p14-SF3b155' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'spliceosomal protein SF3b155, residues in database 379-424' $entity_1 'spliceosomal protein p14, RNA recognition motif' $entity_2 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 11367 "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_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'spliceosomal protein p14, RNA recognition motif' _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 87 _Mol_residue_sequence ; GRANIRLPPEVNRILYIRNL PYKITAEEMYDIFGKYGPIR QIRVGNTPETRGTAYVVYED IFDAKNACDHLSGFNVCNRY LVVLYYN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ARG 3 ALA 4 ASN 5 ILE 6 ARG 7 LEU 8 PRO 9 PRO 10 GLU 11 VAL 12 ASN 13 ARG 14 ILE 15 LEU 16 TYR 17 ILE 18 ARG 19 ASN 20 LEU 21 PRO 22 TYR 23 LYS 24 ILE 25 THR 26 ALA 27 GLU 28 GLU 29 MET 30 TYR 31 ASP 32 ILE 33 PHE 34 GLY 35 LYS 36 TYR 37 GLY 38 PRO 39 ILE 40 ARG 41 GLN 42 ILE 43 ARG 44 VAL 45 GLY 46 ASN 47 THR 48 PRO 49 GLU 50 THR 51 ARG 52 GLY 53 THR 54 ALA 55 TYR 56 VAL 57 VAL 58 TYR 59 GLU 60 ASP 61 ILE 62 PHE 63 ASP 64 ALA 65 LYS 66 ASN 67 ALA 68 CYS 69 ASP 70 HIS 71 LEU 72 SER 73 GLY 74 PHE 75 ASN 76 VAL 77 CYS 78 ASN 79 ARG 80 TYR 81 LEU 82 VAL 83 VAL 84 LEU 85 TYR 86 TYR 87 ASN 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 PDB 2F9D "2.5 Angstrom Resolution Structure Of The Spliceosomal Protein P14 Bound To Region Of Sf3b155" 98.85 125 100.00 100.00 1.32e-55 PDB 2F9J "3.0 Angstrom Resolution Structure Of A Y22m Mutant Of The Spliceosomal Protein P14 Bound To A Region Of Sf3b155" 98.85 125 98.84 98.84 1.05e-54 PDB 2FHO "Nmr Solution Structure Of The Human Spliceosomal Protein Complex P14-Sf3b155" 100.00 87 100.00 100.00 1.60e-55 PDB 3LQV "Branch Recognition By Sf3b14" 95.40 115 97.59 97.59 7.10e-51 DBJ BAB22052 "unnamed protein product [Mus musculus]" 98.85 125 100.00 100.00 1.32e-55 DBJ BAB22936 "unnamed protein product [Mus musculus]" 98.85 125 100.00 100.00 1.32e-55 DBJ BAE30577 "unnamed protein product [Mus musculus]" 98.85 125 100.00 100.00 1.32e-55 DBJ BAG34849 "unnamed protein product [Homo sapiens]" 98.85 125 100.00 100.00 1.32e-55 DBJ BAI45933 "pre-mRNA branch site protein p14 [synthetic construct]" 98.85 125 100.00 100.00 1.32e-55 EMBL CAG00132 "unnamed protein product [Tetraodon nigroviridis]" 98.85 125 97.67 98.84 7.51e-55 EMBL CAJ82723 "splicing factor 3B, 14 kDa subunit (sf3b14) [Xenopus (Silurana) tropicalis]" 98.85 125 98.84 98.84 8.28e-55 EMBL CDQ59950 "unnamed protein product [Oncorhynchus mykiss]" 98.85 125 97.67 98.84 1.28e-54 EMBL CDQ82948 "unnamed protein product [Oncorhynchus mykiss]" 98.85 125 97.67 98.84 1.28e-54 GB AAD34105 "CGI-110 protein [Homo sapiens]" 98.85 125 100.00 100.00 1.32e-55 GB AAF29138 "HSPC175 [Homo sapiens]" 98.85 125 100.00 100.00 1.32e-55 GB AAG09698 "ht006 protein [Homo sapiens]" 98.85 125 100.00 100.00 1.32e-55 GB AAH15463 "Splicing factor 3B, 14 kDa subunit [Homo sapiens]" 98.85 125 100.00 100.00 1.32e-55 GB AAH19535 "RIKEN cDNA 0610009D07 gene [Mus musculus]" 98.85 125 100.00 100.00 1.32e-55 REF NP_001002067 "splicing factor 3B subunit 6 [Danio rerio]" 98.85 125 100.00 100.00 1.32e-55 REF NP_001017249 "splicing factor 3b, subunit 6, 14kDa [Xenopus (Silurana) tropicalis]" 98.85 125 98.84 98.84 8.28e-55 REF NP_001039482 "splicing factor 3B subunit 6 [Bos taurus]" 98.85 125 100.00 100.00 1.32e-55 REF NP_001079940 "splicing factor 3b, subunit 6, 14kDa [Xenopus laevis]" 98.85 125 97.67 98.84 3.23e-54 REF NP_001153997 "Pre-mRNA branch site protein p14 [Oncorhynchus mykiss]" 98.85 125 97.67 98.84 1.38e-54 SP P59708 "RecName: Full=Splicing factor 3B subunit 6; AltName: Full=Pre-mRNA branch site protein p14; AltName: Full=SF3b 14 kDa subunit [" 98.85 125 100.00 100.00 1.32e-55 SP Q9Y3B4 "RecName: Full=Splicing factor 3B subunit 6; AltName: Full=Pre-mRNA branch site protein p14; AltName: Full=SF3b 14 kDa subunit; " 98.85 125 100.00 100.00 1.32e-55 TPG DAA21891 "TPA: splicing factor 3B, 14 kDa subunit-like [Bos taurus]" 98.85 125 97.67 100.00 7.04e-55 TPG DAA24388 "TPA: splicing factor 3B, 14 kDa subunit [Bos taurus]" 98.85 125 100.00 100.00 1.32e-55 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 $entity_2 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) $entity_2 '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 . $entity_2 300 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 800 _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 308 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_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 3 3 PRO CA C 63.326 0.300 1 2 3 3 PRO CB C 32.105 0.300 1 3 3 3 PRO CD C 51.112 0.300 1 4 3 3 PRO CG C 27.414 0.300 1 5 4 4 GLU H H 8.491 0.030 1 6 4 4 GLU CA C 56.871 0.300 1 7 4 4 GLU CB C 30.069 0.300 1 8 4 4 GLU N N 121.423 0.300 1 9 17 17 GLU H H 8.492 0.030 1 10 17 17 GLU HA H 4.170 0.030 1 11 17 17 GLU HB2 H 2.117 0.030 2 12 17 17 GLU HB3 H 2.048 0.030 2 13 17 17 GLU CA C 58.082 0.300 1 14 17 17 GLU CB C 29.768 0.300 1 15 17 17 GLU CG C 36.269 0.300 1 16 17 17 GLU N N 122.430 0.300 1 17 18 18 ARG H H 8.321 0.030 1 18 18 18 ARG N N 118.770 0.300 1 19 19 19 ASN H H 7.958 0.030 1 20 19 19 ASN HA H 5.036 0.030 1 21 19 19 ASN HB2 H 3.045 0.030 2 22 19 19 ASN HB3 H 2.633 0.030 2 23 19 19 ASN HD21 H 7.598 0.030 2 24 19 19 ASN HD22 H 7.007 0.030 2 25 19 19 ASN C C 175.447 0.300 1 26 19 19 ASN CA C 51.968 0.300 1 27 19 19 ASN CB C 39.976 0.300 1 28 19 19 ASN N N 116.892 0.300 1 29 19 19 ASN ND2 N 110.252 0.300 1 30 20 20 ARG H H 7.502 0.030 1 31 20 20 ARG HA H 4.571 0.030 1 32 20 20 ARG HB2 H 1.876 0.030 1 33 20 20 ARG HB3 H 1.876 0.030 1 34 20 20 ARG HD2 H 3.240 0.030 2 35 20 20 ARG HD3 H 3.170 0.030 2 36 20 20 ARG HG2 H 1.692 0.030 2 37 20 20 ARG HG3 H 1.599 0.030 2 38 20 20 ARG CA C 54.830 0.300 1 39 20 20 ARG CB C 29.322 0.300 1 40 20 20 ARG CD C 43.492 0.300 1 41 20 20 ARG CG C 26.347 0.300 1 42 20 20 ARG N N 122.021 0.300 1 43 21 21 PRO HA H 4.515 0.030 1 44 21 21 PRO HB2 H 2.331 0.030 2 45 21 21 PRO HB3 H 1.853 0.030 2 46 21 21 PRO HD2 H 3.904 0.030 2 47 21 21 PRO HD3 H 3.666 0.030 2 48 21 21 PRO HG2 H 2.122 0.030 2 49 21 21 PRO HG3 H 2.064 0.030 2 50 21 21 PRO C C 176.416 0.300 1 51 21 21 PRO CA C 63.470 0.300 1 52 21 21 PRO CB C 31.980 0.300 1 53 21 21 PRO CD C 50.702 0.300 1 54 21 21 PRO CG C 27.890 0.300 1 55 22 22 LEU H H 8.837 0.030 1 56 22 22 LEU HA H 4.727 0.030 1 57 22 22 LEU HB2 H 1.580 0.030 2 58 22 22 LEU HB3 H 1.213 0.030 2 59 22 22 LEU HD1 H 0.760 0.030 1 60 22 22 LEU HD2 H 0.746 0.030 1 61 22 22 LEU HG H 1.664 0.030 1 62 22 22 LEU C C 177.393 0.300 1 63 22 22 LEU CA C 53.425 0.300 1 64 22 22 LEU CB C 44.568 0.300 1 65 22 22 LEU CD1 C 25.806 0.300 2 66 22 22 LEU CD2 C 23.392 0.300 2 67 22 22 LEU CG C 26.730 0.300 1 68 22 22 LEU N N 123.902 0.300 1 69 23 23 SER H H 9.533 0.030 1 70 23 23 SER HA H 4.574 0.030 1 71 23 23 SER HB2 H 4.410 0.030 2 72 23 23 SER HB3 H 4.052 0.030 2 73 23 23 SER C C 174.649 0.300 1 74 23 23 SER CA C 56.980 0.300 1 75 23 23 SER CB C 65.636 0.300 1 76 23 23 SER N N 121.987 0.300 1 77 24 24 ASP H H 9.106 0.030 1 78 24 24 ASP HA H 4.287 0.030 1 79 24 24 ASP HB2 H 2.759 0.030 2 80 24 24 ASP HB3 H 2.599 0.030 2 81 24 24 ASP C C 178.850 0.300 1 82 24 24 ASP CA C 57.817 0.300 1 83 24 24 ASP CB C 39.644 0.300 1 84 24 24 ASP N N 121.910 0.300 1 85 25 25 GLU H H 8.809 0.030 1 86 25 25 GLU HA H 4.076 0.030 1 87 25 25 GLU HB2 H 2.040 0.030 2 88 25 25 GLU HB3 H 1.929 0.030 2 89 25 25 GLU HG2 H 2.380 0.030 2 90 25 25 GLU HG3 H 2.307 0.030 2 91 25 25 GLU C C 179.481 0.300 1 92 25 25 GLU CA C 60.122 0.300 1 93 25 25 GLU CB C 29.067 0.300 1 94 25 25 GLU CG C 36.860 0.300 1 95 25 25 GLU N N 119.218 0.300 1 96 26 26 GLU H H 7.848 0.030 1 97 26 26 GLU HA H 3.943 0.030 1 98 26 26 GLU HB2 H 2.256 0.030 2 99 26 26 GLU HB3 H 1.845 0.030 2 100 26 26 GLU HG2 H 2.246 0.030 1 101 26 26 GLU HG3 H 2.246 0.030 1 102 26 26 GLU C C 179.582 0.300 1 103 26 26 GLU CA C 59.136 0.300 1 104 26 26 GLU CB C 29.986 0.300 1 105 26 26 GLU CG C 37.524 0.300 1 106 26 26 GLU N N 121.061 0.300 1 107 27 27 LEU H H 7.868 0.030 1 108 27 27 LEU HA H 3.906 0.030 1 109 27 27 LEU HB2 H 1.893 0.030 2 110 27 27 LEU HB3 H 1.530 0.030 2 111 27 27 LEU HD1 H 0.860 0.030 1 112 27 27 LEU HD2 H 0.726 0.030 1 113 27 27 LEU HG H 1.626 0.030 1 114 27 27 LEU C C 178.286 0.300 1 115 27 27 LEU CA C 58.014 0.300 1 116 27 27 LEU CB C 41.431 0.300 1 117 27 27 LEU CD1 C 24.623 0.300 2 118 27 27 LEU CD2 C 25.159 0.300 2 119 27 27 LEU CG C 27.480 0.300 1 120 27 27 LEU N N 120.072 0.300 1 121 28 28 ASP H H 7.970 0.030 1 122 28 28 ASP HA H 4.427 0.030 1 123 28 28 ASP HB2 H 2.759 0.030 2 124 28 28 ASP HB3 H 2.680 0.030 2 125 28 28 ASP C C 177.983 0.300 1 126 28 28 ASP CA C 57.203 0.300 1 127 28 28 ASP CB C 40.594 0.300 1 128 28 28 ASP N N 116.684 0.300 1 129 29 29 ALA H H 7.135 0.030 1 130 29 29 ALA HA H 4.329 0.030 1 131 29 29 ALA HB H 1.403 0.030 1 132 29 29 ALA C C 178.500 0.300 1 133 29 29 ALA CA C 52.782 0.300 1 134 29 29 ALA CB C 18.960 0.300 1 135 29 29 ALA N N 118.034 0.300 1 136 30 30 MET H H 7.383 0.030 1 137 30 30 MET HA H 3.994 0.030 1 138 30 30 MET HB2 H 1.360 0.030 2 139 30 30 MET HB3 H 1.226 0.030 2 140 30 30 MET HE H 1.664 0.030 1 141 30 30 MET HG2 H 2.129 0.030 1 142 30 30 MET HG3 H 2.129 0.030 1 143 30 30 MET C C 175.879 0.300 1 144 30 30 MET CA C 57.031 0.300 1 145 30 30 MET CB C 33.575 0.300 1 146 30 30 MET CE C 16.703 0.300 1 147 30 30 MET CG C 31.556 0.300 1 148 30 30 MET N N 115.526 0.300 1 149 31 31 PHE H H 6.954 0.030 1 150 31 31 PHE HA H 4.720 0.030 1 151 31 31 PHE HB2 H 2.570 0.030 2 152 31 31 PHE HB3 H 2.472 0.030 2 153 31 31 PHE HD1 H 6.190 0.030 1 154 31 31 PHE HD2 H 6.190 0.030 1 155 31 31 PHE HE1 H 6.524 0.030 1 156 31 31 PHE HE2 H 6.524 0.030 1 157 31 31 PHE HZ H 6.566 0.030 1 158 31 31 PHE C C 172.964 0.300 1 159 31 31 PHE CA C 55.693 0.300 1 160 31 31 PHE CB C 39.313 0.300 1 161 31 31 PHE CD1 C 131.450 0.300 1 162 31 31 PHE CD2 C 131.450 0.300 1 163 31 31 PHE CE1 C 130.466 0.300 1 164 31 31 PHE CE2 C 130.466 0.300 1 165 31 31 PHE CZ C 127.486 0.300 1 166 31 31 PHE N N 116.963 0.300 1 167 32 32 PRO HA H 4.653 0.030 1 168 32 32 PRO HB2 H 2.479 0.030 2 169 32 32 PRO HB3 H 2.241 0.030 2 170 32 32 PRO HD2 H 3.757 0.030 2 171 32 32 PRO HD3 H 3.296 0.030 2 172 32 32 PRO HG2 H 2.202 0.030 2 173 32 32 PRO HG3 H 2.139 0.030 2 174 32 32 PRO C C 175.711 0.300 1 175 32 32 PRO CA C 62.287 0.300 1 176 32 32 PRO CB C 32.784 0.300 1 177 32 32 PRO CD C 50.724 0.300 1 178 32 32 PRO CG C 27.499 0.300 1 179 33 33 GLU H H 8.318 0.030 1 180 33 33 GLU HA H 4.326 0.030 1 181 33 33 GLU HB2 H 2.094 0.030 2 182 33 33 GLU HB3 H 2.029 0.030 2 183 33 33 GLU HG2 H 2.359 0.030 1 184 33 33 GLU HG3 H 2.359 0.030 1 185 33 33 GLU C C 176.678 0.300 1 186 33 33 GLU CA C 57.285 0.300 1 187 33 33 GLU CB C 30.416 0.300 1 188 33 33 GLU CG C 36.486 0.300 1 189 33 33 GLU N N 117.674 0.300 1 190 34 34 GLY H H 8.572 0.030 1 191 34 34 GLY HA2 H 4.105 0.030 2 192 34 34 GLY HA3 H 3.685 0.030 2 193 34 34 GLY C C 173.709 0.300 1 194 34 34 GLY CA C 45.959 0.300 1 195 34 34 GLY N N 106.778 0.300 1 196 35 35 TYR H H 7.711 0.030 1 197 35 35 TYR HA H 4.767 0.030 1 198 35 35 TYR HB2 H 2.936 0.030 2 199 35 35 TYR HB3 H 2.369 0.030 2 200 35 35 TYR HD1 H 6.813 0.030 1 201 35 35 TYR HD2 H 6.813 0.030 1 202 35 35 TYR HE1 H 6.740 0.030 1 203 35 35 TYR HE2 H 6.740 0.030 1 204 35 35 TYR C C 174.520 0.300 1 205 35 35 TYR CA C 57.976 0.300 1 206 35 35 TYR CB C 41.990 0.300 1 207 35 35 TYR CD1 C 132.719 0.300 1 208 35 35 TYR CD2 C 132.719 0.300 1 209 35 35 TYR CE1 C 118.748 0.300 1 210 35 35 TYR CE2 C 118.748 0.300 1 211 35 35 TYR N N 118.211 0.300 1 212 36 36 LYS H H 8.947 0.030 1 213 36 36 LYS HA H 4.760 0.030 1 214 36 36 LYS HB2 H 1.718 0.030 1 215 36 36 LYS HB3 H 1.718 0.030 1 216 36 36 LYS HD2 H 1.624 0.030 1 217 36 36 LYS HD3 H 1.624 0.030 1 218 36 36 LYS HE2 H 2.949 0.030 1 219 36 36 LYS HE3 H 2.949 0.030 1 220 36 36 LYS HG2 H 1.358 0.030 1 221 36 36 LYS HG3 H 1.358 0.030 1 222 36 36 LYS C C 175.569 0.300 1 223 36 36 LYS CA C 53.989 0.300 1 224 36 36 LYS CB C 35.975 0.300 1 225 36 36 LYS CD C 29.458 0.300 1 226 36 36 LYS CE C 42.317 0.300 1 227 36 36 LYS CG C 24.428 0.300 1 228 36 36 LYS N N 122.467 0.300 1 229 37 37 VAL H H 8.835 0.030 1 230 37 37 VAL HA H 4.039 0.030 1 231 37 37 VAL HB H 1.942 0.030 1 232 37 37 VAL HG1 H 0.872 0.030 1 233 37 37 VAL HG2 H 0.893 0.030 1 234 37 37 VAL C C 175.696 0.300 1 235 37 37 VAL CA C 63.970 0.300 1 236 37 37 VAL CB C 32.051 0.300 1 237 37 37 VAL CG1 C 21.281 0.300 2 238 37 37 VAL CG2 C 22.165 0.300 2 239 37 37 VAL N N 125.886 0.300 1 240 38 38 LEU H H 8.684 0.030 1 241 38 38 LEU HA H 4.913 0.030 1 242 38 38 LEU HB2 H 1.723 0.030 2 243 38 38 LEU HB3 H 1.462 0.030 2 244 38 38 LEU HD1 H 0.936 0.030 1 245 38 38 LEU HD2 H 0.891 0.030 1 246 38 38 LEU HG H 1.648 0.030 1 247 38 38 LEU CA C 51.125 0.300 1 248 38 38 LEU CB C 43.305 0.300 1 249 38 38 LEU CD1 C 25.001 0.300 2 250 38 38 LEU CD2 C 25.140 0.300 2 251 38 38 LEU CG C 26.556 0.300 1 252 38 38 LEU N N 130.894 0.300 1 253 39 39 PRO HA H 4.707 0.030 1 254 39 39 PRO HB2 H 2.359 0.030 2 255 39 39 PRO HB3 H 1.839 0.030 2 256 39 39 PRO HD2 H 4.135 0.030 2 257 39 39 PRO HD3 H 3.702 0.030 2 258 39 39 PRO HG2 H 2.111 0.030 2 259 39 39 PRO HG3 H 1.984 0.030 2 260 39 39 PRO CA C 61.188 0.300 1 261 39 39 PRO CB C 32.020 0.300 1 262 39 39 PRO CD C 51.032 0.300 1 263 39 39 PRO CG C 27.414 0.300 1 264 40 40 PRO HA H 3.786 0.030 1 265 40 40 PRO HB2 H 1.637 0.030 1 266 40 40 PRO HB3 H 1.637 0.030 1 267 40 40 PRO HD2 H 3.822 0.030 2 268 40 40 PRO HD3 H 3.601 0.030 2 269 40 40 PRO HG2 H 2.020 0.030 1 270 40 40 PRO HG3 H 2.020 0.030 1 271 40 40 PRO CA C 60.566 0.300 1 272 40 40 PRO CB C 30.201 0.300 1 273 40 40 PRO CD C 50.161 0.300 1 274 40 40 PRO CG C 27.475 0.300 1 275 41 41 PRO HA H 4.296 0.030 1 276 41 41 PRO HB2 H 2.111 0.030 2 277 41 41 PRO HB3 H 1.878 0.030 2 278 41 41 PRO HD2 H 2.766 0.030 2 279 41 41 PRO HD3 H 2.368 0.030 2 280 41 41 PRO HG2 H 1.756 0.030 2 281 41 41 PRO HG3 H 1.530 0.030 2 282 41 41 PRO C C 176.561 0.300 1 283 41 41 PRO CA C 62.049 0.300 1 284 41 41 PRO CB C 32.060 0.300 1 285 41 41 PRO CD C 49.629 0.300 1 286 41 41 PRO CG C 27.151 0.300 1 287 42 42 ALA H H 8.530 0.030 1 288 42 42 ALA HA H 4.115 0.030 1 289 42 42 ALA HB H 1.371 0.030 1 290 42 42 ALA C C 179.041 0.300 1 291 42 42 ALA CA C 53.858 0.300 1 292 42 42 ALA CB C 18.347 0.300 1 293 42 42 ALA N N 124.748 0.300 1 294 43 43 GLY H H 8.578 0.030 1 295 43 43 GLY HA2 H 3.945 0.030 2 296 43 43 GLY HA3 H 3.825 0.030 2 297 43 43 GLY C C 174.051 0.300 1 298 43 43 GLY CA C 45.174 0.300 1 299 43 43 GLY N N 108.158 0.300 1 300 44 44 TYR H H 7.690 0.030 1 301 44 44 TYR HA H 4.384 0.030 1 302 44 44 TYR HB2 H 2.802 0.030 1 303 44 44 TYR HB3 H 2.802 0.030 1 304 44 44 TYR HD1 H 7.046 0.030 1 305 44 44 TYR HD2 H 7.046 0.030 1 306 44 44 TYR HE1 H 6.953 0.030 1 307 44 44 TYR HE2 H 6.953 0.030 1 308 44 44 TYR C C 174.877 0.300 1 309 44 44 TYR CA C 59.151 0.300 1 310 44 44 TYR CB C 38.919 0.300 1 311 44 44 TYR CD1 C 133.093 0.300 1 312 44 44 TYR CD2 C 133.093 0.300 1 313 44 44 TYR CE1 C 118.319 0.300 1 314 44 44 TYR CE2 C 118.319 0.300 1 315 44 44 TYR N N 120.736 0.300 1 316 45 45 VAL H H 7.762 0.030 1 317 45 45 VAL HA H 4.263 0.030 1 318 45 45 VAL HB H 1.950 0.030 1 319 45 45 VAL HG1 H 0.915 0.030 1 320 45 45 VAL HG2 H 0.861 0.030 1 321 45 45 VAL C C 172.623 0.300 1 322 45 45 VAL CA C 59.131 0.300 1 323 45 45 VAL CB C 33.589 0.300 1 324 45 45 VAL CG1 C 21.137 0.300 2 325 45 45 VAL CG2 C 20.345 0.300 2 326 45 45 VAL N N 127.376 0.300 1 327 46 46 PRO HA H 4.085 0.030 1 328 46 46 PRO HB2 H 2.269 0.030 2 329 46 46 PRO HB3 H 1.918 0.030 2 330 46 46 PRO HD2 H 3.627 0.030 2 331 46 46 PRO HD3 H 3.440 0.030 2 332 46 46 PRO HG2 H 2.005 0.030 1 333 46 46 PRO HG3 H 2.005 0.030 1 334 46 46 PRO CA C 64.578 0.300 1 335 46 46 PRO CB C 32.020 0.300 1 336 46 46 PRO CD C 50.603 0.300 1 337 46 46 PRO CG C 27.041 0.300 1 stop_ save_ save_chemical_shift_1_2 _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 p14, RNA recognition motif' _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 52 5 ILE HA H 4.217 0.030 1 2 52 5 ILE HB H 1.881 0.030 1 3 52 5 ILE HD1 H 0.918 0.030 1 4 52 5 ILE HG2 H 0.921 0.030 1 5 52 5 ILE CA C 61.288 0.300 1 6 52 5 ILE CB C 38.842 0.300 1 7 52 5 ILE CD1 C 13.257 0.300 1 8 52 5 ILE CG1 C 27.202 0.300 1 9 52 5 ILE CG2 C 17.585 0.300 1 10 54 7 LEU HA H 4.172 0.030 1 11 55 8 PRO HA H 4.736 0.030 1 12 55 8 PRO HB2 H 2.544 0.030 2 13 55 8 PRO HB3 H 1.986 0.030 2 14 55 8 PRO HD2 H 3.890 0.030 2 15 55 8 PRO HD3 H 3.375 0.030 2 16 55 8 PRO HG2 H 2.074 0.030 1 17 55 8 PRO HG3 H 2.074 0.030 1 18 55 8 PRO CA C 62.142 0.300 1 19 55 8 PRO CB C 31.189 0.300 1 20 55 8 PRO CD C 50.708 0.300 1 21 55 8 PRO CG C 27.890 0.300 1 22 56 9 PRO HA H 4.233 0.030 1 23 56 9 PRO HB2 H 2.331 0.030 2 24 56 9 PRO HB3 H 1.956 0.030 2 25 56 9 PRO HD2 H 3.797 0.030 1 26 56 9 PRO HD3 H 3.797 0.030 1 27 56 9 PRO HG2 H 2.082 0.030 1 28 56 9 PRO HG3 H 2.082 0.030 1 29 56 9 PRO C C 176.723 0.300 1 30 56 9 PRO CA C 64.659 0.300 1 31 56 9 PRO CB C 32.097 0.300 1 32 56 9 PRO CD C 50.713 0.300 1 33 56 9 PRO CG C 27.140 0.300 1 34 57 10 GLU H H 9.155 0.030 1 35 57 10 GLU HA H 4.052 0.030 1 36 57 10 GLU HB2 H 2.005 0.030 1 37 57 10 GLU HB3 H 2.005 0.030 1 38 57 10 GLU HG2 H 2.346 0.030 2 39 57 10 GLU HG3 H 2.192 0.030 2 40 57 10 GLU C C 175.895 0.300 1 41 57 10 GLU CA C 57.498 0.300 1 42 57 10 GLU CB C 28.890 0.300 1 43 57 10 GLU CG C 35.807 0.300 1 44 57 10 GLU N N 117.196 0.300 1 45 58 11 VAL H H 6.908 0.030 1 46 58 11 VAL HA H 4.829 0.030 1 47 58 11 VAL HB H 1.534 0.030 1 48 58 11 VAL HG1 H 0.603 0.030 1 49 58 11 VAL HG2 H 0.757 0.030 1 50 58 11 VAL C C 174.410 0.300 1 51 58 11 VAL CA C 63.136 0.300 1 52 58 11 VAL CB C 30.948 0.300 1 53 58 11 VAL CG1 C 21.487 0.300 2 54 58 11 VAL CG2 C 22.051 0.300 2 55 58 11 VAL N N 117.807 0.300 1 56 59 12 ASN H H 6.739 0.030 1 57 59 12 ASN HA H 4.682 0.030 1 58 59 12 ASN HB2 H 3.053 0.030 2 59 59 12 ASN HB3 H 2.874 0.030 2 60 59 12 ASN HD21 H 7.092 0.030 2 61 59 12 ASN HD22 H 7.867 0.030 2 62 59 12 ASN C C 172.381 0.300 1 63 59 12 ASN CA C 51.845 0.300 1 64 59 12 ASN CB C 42.581 0.300 1 65 59 12 ASN N N 124.416 0.300 1 66 59 12 ASN ND2 N 113.241 0.300 1 67 60 13 ARG H H 8.025 0.030 1 68 60 13 ARG HA H 4.211 0.030 1 69 60 13 ARG HB2 H 1.952 0.030 2 70 60 13 ARG HB3 H 1.749 0.030 2 71 60 13 ARG HD2 H 3.354 0.030 2 72 60 13 ARG HD3 H 3.265 0.030 2 73 60 13 ARG HE H 7.169 0.030 1 74 60 13 ARG HG2 H 1.651 0.030 2 75 60 13 ARG HG3 H 1.477 0.030 2 76 60 13 ARG C C 173.641 0.300 1 77 60 13 ARG CA C 57.740 0.300 1 78 60 13 ARG CB C 30.865 0.300 1 79 60 13 ARG CD C 44.236 0.300 1 80 60 13 ARG CG C 27.890 0.300 1 81 60 13 ARG N N 116.207 0.300 1 82 60 13 ARG NE N 84.077 0.300 1 83 61 14 ILE H H 8.199 0.030 1 84 61 14 ILE HA H 5.031 0.030 1 85 61 14 ILE HB H 2.111 0.030 1 86 61 14 ILE HD1 H 0.725 0.030 1 87 61 14 ILE HG12 H 1.736 0.030 2 88 61 14 ILE HG13 H 1.051 0.030 2 89 61 14 ILE HG2 H 1.055 0.030 1 90 61 14 ILE C C 174.248 0.300 1 91 61 14 ILE CA C 60.873 0.300 1 92 61 14 ILE CB C 38.600 0.300 1 93 61 14 ILE CD1 C 14.287 0.300 1 94 61 14 ILE CG1 C 28.448 0.300 1 95 61 14 ILE CG2 C 19.069 0.300 1 96 61 14 ILE N N 117.906 0.300 1 97 62 15 LEU H H 9.440 0.030 1 98 62 15 LEU HA H 5.298 0.030 1 99 62 15 LEU HB2 H 1.767 0.030 2 100 62 15 LEU HB3 H 1.331 0.030 2 101 62 15 LEU HD1 H 1.038 0.030 1 102 62 15 LEU HD2 H 0.879 0.030 1 103 62 15 LEU HG H 1.948 0.030 1 104 62 15 LEU C C 175.634 0.300 1 105 62 15 LEU CA C 52.883 0.300 1 106 62 15 LEU CB C 44.291 0.300 1 107 62 15 LEU CD1 C 26.426 0.300 2 108 62 15 LEU CD2 C 23.784 0.300 2 109 62 15 LEU CG C 27.640 0.300 1 110 62 15 LEU N N 125.492 0.300 1 111 63 16 TYR H H 9.580 0.030 1 112 63 16 TYR HA H 5.103 0.030 1 113 63 16 TYR HB2 H 2.790 0.030 1 114 63 16 TYR HB3 H 2.790 0.030 1 115 63 16 TYR HD1 H 6.418 0.030 1 116 63 16 TYR HD2 H 6.418 0.030 1 117 63 16 TYR HE1 H 6.489 0.030 1 118 63 16 TYR HE2 H 6.489 0.030 1 119 63 16 TYR C C 173.143 0.300 1 120 63 16 TYR CA C 55.082 0.300 1 121 63 16 TYR CB C 40.839 0.300 1 122 63 16 TYR CD1 C 133.130 0.300 1 123 63 16 TYR CD2 C 133.130 0.300 1 124 63 16 TYR CE1 C 117.331 0.300 1 125 63 16 TYR CE2 C 117.331 0.300 1 126 63 16 TYR N N 124.047 0.300 1 127 64 17 ILE H H 8.723 0.030 1 128 64 17 ILE HA H 4.990 0.030 1 129 64 17 ILE HB H 1.589 0.030 1 130 64 17 ILE HD1 H 0.626 0.030 1 131 64 17 ILE HG12 H 1.316 0.030 2 132 64 17 ILE HG13 H 1.062 0.030 2 133 64 17 ILE HG2 H 1.004 0.030 1 134 64 17 ILE C C 174.887 0.300 1 135 64 17 ILE CA C 57.974 0.300 1 136 64 17 ILE CB C 40.051 0.300 1 137 64 17 ILE CD1 C 14.977 0.300 1 138 64 17 ILE CG1 C 28.576 0.300 1 139 64 17 ILE CG2 C 20.555 0.300 1 140 64 17 ILE N N 127.382 0.300 1 141 65 18 ARG H H 8.712 0.030 1 142 65 18 ARG HA H 4.787 0.030 1 143 65 18 ARG HB2 H 1.861 0.030 2 144 65 18 ARG HB3 H 1.435 0.030 2 145 65 18 ARG HD2 H 3.292 0.030 2 146 65 18 ARG HD3 H 3.101 0.030 2 147 65 18 ARG HG2 H 1.351 0.030 2 148 65 18 ARG HG3 H 1.111 0.030 2 149 65 18 ARG C C 174.933 0.300 1 150 65 18 ARG CA C 54.155 0.300 1 151 65 18 ARG CB C 34.189 0.300 1 152 65 18 ARG CD C 43.810 0.300 1 153 65 18 ARG CG C 27.165 0.300 1 154 65 18 ARG N N 120.261 0.300 1 155 66 19 ASN H H 8.213 0.030 1 156 66 19 ASN HA H 4.430 0.030 1 157 66 19 ASN HB2 H 3.285 0.030 2 158 66 19 ASN HB3 H 3.117 0.030 2 159 66 19 ASN HD21 H 7.772 0.030 2 160 66 19 ASN HD22 H 6.979 0.030 2 161 66 19 ASN C C 174.824 0.300 1 162 66 19 ASN CA C 54.095 0.300 1 163 66 19 ASN CB C 37.022 0.300 1 164 66 19 ASN N N 114.130 0.300 1 165 66 19 ASN ND2 N 111.352 0.300 1 166 67 20 LEU H H 8.196 0.030 1 167 67 20 LEU HA H 4.161 0.030 1 168 67 20 LEU HB2 H 1.257 0.030 1 169 67 20 LEU HB3 H 1.257 0.030 1 170 67 20 LEU HD1 H 0.665 0.030 1 171 67 20 LEU HD2 H 0.926 0.030 1 172 67 20 LEU HG H 1.464 0.030 1 173 67 20 LEU CA C 53.608 0.300 1 174 67 20 LEU CB C 41.727 0.300 1 175 67 20 LEU CD1 C 26.993 0.300 2 176 67 20 LEU CD2 C 24.405 0.300 2 177 67 20 LEU CG C 27.027 0.300 1 178 67 20 LEU N N 116.840 0.300 1 179 68 21 PRO HA H 4.279 0.030 1 180 68 21 PRO HB2 H 2.353 0.030 2 181 68 21 PRO HB3 H 1.816 0.030 2 182 68 21 PRO HD2 H 3.698 0.030 2 183 68 21 PRO HD3 H 3.328 0.030 2 184 68 21 PRO HG2 H 2.073 0.030 2 185 68 21 PRO HG3 H 1.923 0.030 2 186 68 21 PRO C C 177.205 0.300 1 187 68 21 PRO CA C 62.408 0.300 1 188 68 21 PRO CB C 31.890 0.300 1 189 68 21 PRO CD C 49.961 0.300 1 190 68 21 PRO CG C 28.157 0.300 1 191 69 22 TYR H H 8.262 0.030 1 192 69 22 TYR HA H 4.328 0.030 1 193 69 22 TYR HB2 H 3.108 0.030 2 194 69 22 TYR HB3 H 3.039 0.030 2 195 69 22 TYR HD1 H 7.056 0.030 1 196 69 22 TYR HD2 H 7.056 0.030 1 197 69 22 TYR HE1 H 6.836 0.030 1 198 69 22 TYR HE2 H 6.836 0.030 1 199 69 22 TYR C C 177.492 0.300 1 200 69 22 TYR CA C 58.537 0.300 1 201 69 22 TYR CB C 37.254 0.300 1 202 69 22 TYR CD1 C 131.907 0.300 1 203 69 22 TYR CD2 C 131.907 0.300 1 204 69 22 TYR CE1 C 118.496 0.300 1 205 69 22 TYR CE2 C 118.496 0.300 1 206 69 22 TYR N N 121.605 0.300 1 207 70 23 LYS H H 8.073 0.030 1 208 70 23 LYS HA H 4.489 0.030 1 209 70 23 LYS HB2 H 1.923 0.030 2 210 70 23 LYS HB3 H 1.674 0.030 2 211 70 23 LYS HD2 H 1.668 0.030 1 212 70 23 LYS HD3 H 1.668 0.030 1 213 70 23 LYS HE2 H 2.981 0.030 1 214 70 23 LYS HE3 H 2.981 0.030 1 215 70 23 LYS HG2 H 1.309 0.030 1 216 70 23 LYS HG3 H 1.309 0.030 1 217 70 23 LYS C C 175.440 0.300 1 218 70 23 LYS CA C 55.195 0.300 1 219 70 23 LYS CB C 31.900 0.300 1 220 70 23 LYS CD C 29.159 0.300 1 221 70 23 LYS CE C 42.071 0.300 1 222 70 23 LYS CG C 24.776 0.300 1 223 70 23 LYS N N 116.988 0.300 1 224 71 24 ILE H H 7.354 0.030 1 225 71 24 ILE HA H 4.383 0.030 1 226 71 24 ILE HB H 1.741 0.030 1 227 71 24 ILE HD1 H 0.860 0.030 1 228 71 24 ILE HG12 H 1.778 0.030 2 229 71 24 ILE HG13 H 1.428 0.030 2 230 71 24 ILE HG2 H 0.899 0.030 1 231 71 24 ILE C C 174.017 0.300 1 232 71 24 ILE CA C 61.340 0.300 1 233 71 24 ILE CB C 40.053 0.300 1 234 71 24 ILE CD1 C 14.425 0.300 1 235 71 24 ILE CG1 C 29.818 0.300 1 236 71 24 ILE CG2 C 16.216 0.300 1 237 71 24 ILE N N 122.244 0.300 1 238 72 25 THR H H 8.253 0.030 1 239 72 25 THR HA H 4.621 0.030 1 240 72 25 THR HB H 4.816 0.030 1 241 72 25 THR HG2 H 1.389 0.030 1 242 72 25 THR C C 175.809 0.300 1 243 72 25 THR CA C 60.780 0.300 1 244 72 25 THR CB C 72.638 0.300 1 245 72 25 THR CG2 C 21.975 0.300 1 246 72 25 THR N N 116.968 0.300 1 247 73 26 ALA H H 9.176 0.030 1 248 73 26 ALA HA H 4.040 0.030 1 249 73 26 ALA HB H 1.514 0.030 1 250 73 26 ALA C C 179.404 0.300 1 251 73 26 ALA CA C 55.852 0.300 1 252 73 26 ALA CB C 18.847 0.300 1 253 73 26 ALA N N 123.168 0.300 1 254 74 27 GLU H H 9.377 0.030 1 255 74 27 GLU HA H 3.823 0.030 1 256 74 27 GLU HB2 H 2.128 0.030 2 257 74 27 GLU HB3 H 1.977 0.030 2 258 74 27 GLU HG2 H 2.547 0.030 2 259 74 27 GLU HG3 H 2.246 0.030 2 260 74 27 GLU C C 179.000 0.300 1 261 74 27 GLU CA C 61.327 0.300 1 262 74 27 GLU CB C 28.892 0.300 1 263 74 27 GLU CG C 37.664 0.300 1 264 74 27 GLU N N 117.317 0.300 1 265 75 28 GLU H H 7.654 0.030 1 266 75 28 GLU HA H 4.132 0.030 1 267 75 28 GLU HB2 H 2.292 0.030 2 268 75 28 GLU HB3 H 1.941 0.030 2 269 75 28 GLU HG2 H 2.295 0.030 1 270 75 28 GLU HG3 H 2.295 0.030 1 271 75 28 GLU C C 179.153 0.300 1 272 75 28 GLU CA C 59.290 0.300 1 273 75 28 GLU CB C 30.597 0.300 1 274 75 28 GLU CG C 37.730 0.300 1 275 75 28 GLU N N 118.668 0.300 1 276 76 29 MET H H 8.335 0.030 1 277 76 29 MET HA H 4.353 0.030 1 278 76 29 MET HB2 H 2.258 0.030 2 279 76 29 MET HB3 H 1.792 0.030 2 280 76 29 MET HE H 1.536 0.030 1 281 76 29 MET HG2 H 2.513 0.030 2 282 76 29 MET HG3 H 2.360 0.030 2 283 76 29 MET C C 178.819 0.300 1 284 76 29 MET CA C 57.903 0.300 1 285 76 29 MET CB C 31.889 0.300 1 286 76 29 MET CE C 17.629 0.300 1 287 76 29 MET CG C 33.540 0.300 1 288 76 29 MET N N 116.693 0.300 1 289 77 30 TYR H H 8.789 0.030 1 290 77 30 TYR HA H 3.723 0.030 1 291 77 30 TYR HB2 H 2.823 0.030 2 292 77 30 TYR HB3 H 2.600 0.030 2 293 77 30 TYR HD1 H 6.898 0.030 1 294 77 30 TYR HD2 H 6.898 0.030 1 295 77 30 TYR HE1 H 6.418 0.030 1 296 77 30 TYR HE2 H 6.418 0.030 1 297 77 30 TYR C C 179.175 0.300 1 298 77 30 TYR CA C 63.738 0.300 1 299 77 30 TYR CB C 37.298 0.300 1 300 77 30 TYR CD1 C 132.711 0.300 1 301 77 30 TYR CD2 C 132.711 0.300 1 302 77 30 TYR CE1 C 117.651 0.300 1 303 77 30 TYR CE2 C 117.651 0.300 1 304 77 30 TYR N N 118.005 0.300 1 305 78 31 ASP H H 8.075 0.030 1 306 78 31 ASP HA H 4.501 0.030 1 307 78 31 ASP HB2 H 2.914 0.030 2 308 78 31 ASP HB3 H 2.764 0.030 2 309 78 31 ASP C C 178.021 0.300 1 310 78 31 ASP CA C 57.707 0.300 1 311 78 31 ASP CB C 41.539 0.300 1 312 78 31 ASP N N 121.451 0.300 1 313 79 32 ILE H H 7.884 0.030 1 314 79 32 ILE HA H 3.554 0.030 1 315 79 32 ILE HB H 1.503 0.030 1 316 79 32 ILE HD1 H 0.805 0.030 1 317 79 32 ILE HG12 H 1.909 0.030 2 318 79 32 ILE HG13 H 0.923 0.030 2 319 79 32 ILE HG2 H -0.063 0.030 1 320 79 32 ILE C C 177.835 0.300 1 321 79 32 ILE CA C 64.828 0.300 1 322 79 32 ILE CB C 39.320 0.300 1 323 79 32 ILE CD1 C 13.933 0.300 1 324 79 32 ILE CG1 C 28.577 0.300 1 325 79 32 ILE CG2 C 16.562 0.300 1 326 79 32 ILE N N 117.274 0.300 1 327 80 33 PHE H H 8.018 0.030 1 328 80 33 PHE HA H 4.298 0.030 1 329 80 33 PHE HB2 H 3.240 0.030 2 330 80 33 PHE HB3 H 2.493 0.030 2 331 80 33 PHE HD1 H 7.699 0.030 1 332 80 33 PHE HD2 H 7.699 0.030 1 333 80 33 PHE HE1 H 7.059 0.030 1 334 80 33 PHE HE2 H 7.059 0.030 1 335 80 33 PHE HZ H 6.947 0.030 1 336 80 33 PHE C C 180.341 0.300 1 337 80 33 PHE CA C 61.749 0.300 1 338 80 33 PHE CB C 38.336 0.300 1 339 80 33 PHE CD1 C 132.130 0.300 1 340 80 33 PHE CD2 C 132.130 0.300 1 341 80 33 PHE CE1 C 130.758 0.300 1 342 80 33 PHE CE2 C 130.758 0.300 1 343 80 33 PHE CZ C 128.640 0.300 1 344 80 33 PHE N N 111.747 0.300 1 345 81 34 GLY H H 8.760 0.030 1 346 81 34 GLY HA2 H 4.504 0.030 2 347 81 34 GLY HA3 H 4.271 0.030 2 348 81 34 GLY C C 174.871 0.300 1 349 81 34 GLY CA C 46.368 0.300 1 350 81 34 GLY N N 111.828 0.300 1 351 82 35 LYS H H 6.684 0.030 1 352 82 35 LYS HA H 3.967 0.030 1 353 82 35 LYS HB2 H 1.438 0.030 2 354 82 35 LYS HB3 H 1.246 0.030 2 355 82 35 LYS HD2 H 1.476 0.030 2 356 82 35 LYS HD3 H 1.423 0.030 2 357 82 35 LYS HE2 H 2.855 0.030 1 358 82 35 LYS HE3 H 2.855 0.030 1 359 82 35 LYS HG2 H 0.999 0.030 2 360 82 35 LYS HG3 H 0.931 0.030 2 361 82 35 LYS C C 176.879 0.300 1 362 82 35 LYS CA C 57.689 0.300 1 363 82 35 LYS CB C 32.047 0.300 1 364 82 35 LYS CD C 28.580 0.300 1 365 82 35 LYS CE C 42.091 0.300 1 366 82 35 LYS CG C 23.939 0.300 1 367 82 35 LYS N N 117.632 0.300 1 368 83 36 TYR H H 6.882 0.030 1 369 83 36 TYR HA H 4.199 0.030 1 370 83 36 TYR HB2 H 3.339 0.030 2 371 83 36 TYR HB3 H 2.599 0.030 2 372 83 36 TYR HD1 H 7.059 0.030 1 373 83 36 TYR HD2 H 7.059 0.030 1 374 83 36 TYR HE1 H 6.389 0.030 1 375 83 36 TYR HE2 H 6.389 0.030 1 376 83 36 TYR C C 173.706 0.300 1 377 83 36 TYR CA C 59.673 0.300 1 378 83 36 TYR CB C 39.379 0.300 1 379 83 36 TYR CD1 C 132.480 0.300 1 380 83 36 TYR CD2 C 132.480 0.300 1 381 83 36 TYR CE1 C 118.404 0.300 1 382 83 36 TYR CE2 C 118.404 0.300 1 383 83 36 TYR N N 113.345 0.300 1 384 84 37 GLY H H 7.289 0.030 1 385 84 37 GLY HA2 H 4.957 0.030 2 386 84 37 GLY HA3 H 3.932 0.030 2 387 84 37 GLY C C 173.859 0.300 1 388 84 37 GLY CA C 44.840 0.300 1 389 84 37 GLY N N 106.224 0.300 1 390 85 38 PRO HA H 4.512 0.030 1 391 85 38 PRO HB2 H 2.406 0.030 2 392 85 38 PRO HB3 H 1.972 0.030 2 393 85 38 PRO HD2 H 4.025 0.030 2 394 85 38 PRO HD3 H 3.647 0.030 2 395 85 38 PRO HG2 H 2.272 0.030 2 396 85 38 PRO HG3 H 2.110 0.030 2 397 85 38 PRO C C 177.373 0.300 1 398 85 38 PRO CA C 63.460 0.300 1 399 85 38 PRO CB C 32.587 0.300 1 400 85 38 PRO CD C 49.827 0.300 1 401 85 38 PRO CG C 27.829 0.300 1 402 86 39 ILE H H 8.531 0.030 1 403 86 39 ILE HA H 3.967 0.030 1 404 86 39 ILE HB H 1.825 0.030 1 405 86 39 ILE HD1 H 0.245 0.030 1 406 86 39 ILE HG12 H 1.588 0.030 2 407 86 39 ILE HG13 H 0.673 0.030 2 408 86 39 ILE HG2 H 0.406 0.030 1 409 86 39 ILE C C 176.613 0.300 1 410 86 39 ILE CA C 60.095 0.300 1 411 86 39 ILE CB C 40.156 0.300 1 412 86 39 ILE CD1 C 12.819 0.300 1 413 86 39 ILE CG1 C 27.381 0.300 1 414 86 39 ILE CG2 C 17.740 0.300 1 415 86 39 ILE N N 125.460 0.300 1 416 87 40 ARG H H 9.218 0.030 1 417 87 40 ARG HA H 4.533 0.030 1 418 87 40 ARG HB2 H 1.601 0.030 2 419 87 40 ARG HB3 H 1.513 0.030 2 420 87 40 ARG HD2 H 3.486 0.030 2 421 87 40 ARG HD3 H 3.366 0.030 2 422 87 40 ARG HE H 7.129 0.030 1 423 87 40 ARG HG2 H 1.624 0.030 2 424 87 40 ARG HG3 H 1.253 0.030 2 425 87 40 ARG C C 176.112 0.300 1 426 87 40 ARG CA C 56.303 0.300 1 427 87 40 ARG CB C 30.084 0.300 1 428 87 40 ARG CD C 41.798 0.300 1 429 87 40 ARG CG C 27.674 0.300 1 430 87 40 ARG N N 130.435 0.300 1 431 87 40 ARG NE N 83.790 0.300 1 432 88 41 GLN H H 7.670 0.030 1 433 88 41 GLN HA H 4.380 0.030 1 434 88 41 GLN HB2 H 2.079 0.030 2 435 88 41 GLN HB3 H 1.699 0.030 2 436 88 41 GLN HE21 H 7.792 0.030 2 437 88 41 GLN HE22 H 7.571 0.030 2 438 88 41 GLN HG2 H 2.403 0.030 2 439 88 41 GLN HG3 H 1.838 0.030 2 440 88 41 GLN C C 172.036 0.300 1 441 88 41 GLN CA C 56.640 0.300 1 442 88 41 GLN CB C 34.370 0.300 1 443 88 41 GLN CG C 37.186 0.300 1 444 88 41 GLN N N 117.439 0.300 1 445 88 41 GLN NE2 N 112.562 0.300 1 446 89 42 ILE H H 8.782 0.030 1 447 89 42 ILE HA H 4.705 0.030 1 448 89 42 ILE HB H 1.579 0.030 1 449 89 42 ILE HD1 H -0.008 0.030 1 450 89 42 ILE HG12 H 1.368 0.030 2 451 89 42 ILE HG13 H 0.670 0.030 2 452 89 42 ILE HG2 H 0.565 0.030 1 453 89 42 ILE C C 174.669 0.300 1 454 89 42 ILE CA C 61.006 0.300 1 455 89 42 ILE CB C 40.865 0.300 1 456 89 42 ILE CD1 C 12.536 0.300 1 457 89 42 ILE CG1 C 28.017 0.300 1 458 89 42 ILE CG2 C 17.530 0.300 1 459 89 42 ILE N N 123.702 0.300 1 460 90 43 ARG H H 8.989 0.030 1 461 90 43 ARG HA H 5.379 0.030 1 462 90 43 ARG HB2 H 1.410 0.030 2 463 90 43 ARG HB3 H 1.267 0.030 2 464 90 43 ARG HD2 H 2.450 0.030 2 465 90 43 ARG HD3 H 2.021 0.030 2 466 90 43 ARG HE H 6.423 0.030 1 467 90 43 ARG HG2 H 1.146 0.030 2 468 90 43 ARG HG3 H 1.027 0.030 2 469 90 43 ARG C C 174.890 0.300 1 470 90 43 ARG CA C 53.907 0.300 1 471 90 43 ARG CB C 33.572 0.300 1 472 90 43 ARG CD C 43.105 0.300 1 473 90 43 ARG CG C 27.358 0.300 1 474 90 43 ARG N N 123.585 0.300 1 475 90 43 ARG NE N 83.783 0.300 1 476 91 44 VAL H H 9.071 0.030 1 477 91 44 VAL HA H 4.990 0.030 1 478 91 44 VAL HB H 2.155 0.030 1 479 91 44 VAL HG1 H 0.980 0.030 1 480 91 44 VAL HG2 H 0.960 0.030 1 481 91 44 VAL C C 175.914 0.300 1 482 91 44 VAL CA C 59.654 0.300 1 483 91 44 VAL CB C 35.438 0.300 1 484 91 44 VAL CG1 C 22.154 0.300 2 485 91 44 VAL CG2 C 20.308 0.300 2 486 91 44 VAL N N 116.739 0.300 1 487 92 45 GLY H H 8.837 0.030 1 488 92 45 GLY HA2 H 3.407 0.030 2 489 92 45 GLY HA3 H 3.347 0.030 2 490 92 45 GLY C C 175.169 0.300 1 491 92 45 GLY CA C 47.019 0.300 1 492 92 45 GLY N N 113.734 0.300 1 493 93 46 ASN H H 8.362 0.030 1 494 93 46 ASN HA H 4.952 0.030 1 495 93 46 ASN HB2 H 2.718 0.030 2 496 93 46 ASN HB3 H 2.416 0.030 2 497 93 46 ASN HD21 H 7.499 0.030 2 498 93 46 ASN HD22 H 6.658 0.030 2 499 93 46 ASN C C 174.078 0.300 1 500 93 46 ASN CA C 51.998 0.300 1 501 93 46 ASN CB C 40.026 0.300 1 502 93 46 ASN N N 124.066 0.300 1 503 93 46 ASN ND2 N 110.389 0.300 1 504 94 47 THR H H 7.331 0.030 1 505 94 47 THR HA H 4.950 0.030 1 506 94 47 THR HB H 4.603 0.030 1 507 94 47 THR HG2 H 1.166 0.030 1 508 94 47 THR C C 173.065 0.300 1 509 94 47 THR CA C 58.547 0.300 1 510 94 47 THR CB C 70.041 0.300 1 511 94 47 THR CG2 C 22.479 0.300 1 512 94 47 THR N N 109.853 0.300 1 513 95 48 PRO HA H 4.063 0.030 1 514 95 48 PRO HB2 H 2.374 0.030 2 515 95 48 PRO HB3 H 1.920 0.030 2 516 95 48 PRO HD2 H 3.867 0.030 1 517 95 48 PRO HD3 H 3.867 0.030 1 518 95 48 PRO HG2 H 2.232 0.030 2 519 95 48 PRO HG3 H 1.945 0.030 2 520 95 48 PRO C C 178.196 0.300 1 521 95 48 PRO CA C 66.129 0.300 1 522 95 48 PRO CB C 31.711 0.300 1 523 95 48 PRO CD C 50.301 0.300 1 524 95 48 PRO CG C 28.195 0.300 1 525 96 49 GLU H H 8.395 0.030 1 526 96 49 GLU HA H 4.222 0.030 1 527 96 49 GLU HB2 H 2.062 0.030 1 528 96 49 GLU HB3 H 2.062 0.030 1 529 96 49 GLU HG2 H 2.446 0.030 2 530 96 49 GLU HG3 H 2.283 0.030 2 531 96 49 GLU C C 177.526 0.300 1 532 96 49 GLU CA C 58.939 0.300 1 533 96 49 GLU CB C 29.890 0.300 1 534 96 49 GLU CG C 37.242 0.300 1 535 96 49 GLU N N 113.130 0.300 1 536 97 50 THR H H 7.538 0.030 1 537 97 50 THR HA H 4.457 0.030 1 538 97 50 THR HB H 3.776 0.030 1 539 97 50 THR HG2 H 1.075 0.030 1 540 97 50 THR C C 176.046 0.300 1 541 97 50 THR CA C 60.579 0.300 1 542 97 50 THR CB C 70.276 0.300 1 543 97 50 THR CG2 C 22.173 0.300 1 544 97 50 THR N N 106.613 0.300 1 545 98 51 ARG H H 7.915 0.030 1 546 98 51 ARG HA H 4.010 0.030 1 547 98 51 ARG HB2 H 1.576 0.030 2 548 98 51 ARG HB3 H 1.447 0.030 2 549 98 51 ARG HD2 H 2.787 0.030 2 550 98 51 ARG HD3 H 2.589 0.030 2 551 98 51 ARG HG2 H 1.468 0.030 2 552 98 51 ARG HG3 H 1.394 0.030 2 553 98 51 ARG C C 176.536 0.300 1 554 98 51 ARG CA C 57.890 0.300 1 555 98 51 ARG CB C 29.773 0.300 1 556 98 51 ARG CD C 43.571 0.300 1 557 98 51 ARG CG C 26.520 0.300 1 558 98 51 ARG N N 126.231 0.300 1 559 99 52 GLY H H 9.399 0.030 1 560 99 52 GLY HA2 H 4.422 0.030 2 561 99 52 GLY HA3 H 3.805 0.030 2 562 99 52 GLY C C 172.726 0.300 1 563 99 52 GLY CA C 45.663 0.300 1 564 99 52 GLY N N 111.725 0.300 1 565 100 53 THR H H 7.827 0.030 1 566 100 53 THR HA H 5.621 0.030 1 567 100 53 THR HB H 4.378 0.030 1 568 100 53 THR HG2 H 1.253 0.030 1 569 100 53 THR C C 173.721 0.300 1 570 100 53 THR CA C 59.358 0.300 1 571 100 53 THR CB C 73.703 0.300 1 572 100 53 THR CG2 C 22.189 0.300 1 573 100 53 THR N N 108.301 0.300 1 574 101 54 ALA H H 8.809 0.030 1 575 101 54 ALA HA H 5.083 0.030 1 576 101 54 ALA HB H 1.122 0.030 1 577 101 54 ALA C C 173.762 0.300 1 578 101 54 ALA CA C 51.421 0.300 1 579 101 54 ALA CB C 24.154 0.300 1 580 101 54 ALA N N 120.421 0.300 1 581 102 55 TYR H H 8.815 0.030 1 582 102 55 TYR HA H 5.565 0.030 1 583 102 55 TYR HB2 H 2.268 0.030 2 584 102 55 TYR HB3 H 1.674 0.030 2 585 102 55 TYR HD1 H 6.138 0.030 1 586 102 55 TYR HD2 H 6.138 0.030 1 587 102 55 TYR HE1 H 5.593 0.030 1 588 102 55 TYR HE2 H 5.593 0.030 1 589 102 55 TYR C C 174.859 0.300 1 590 102 55 TYR CA C 56.875 0.300 1 591 102 55 TYR CB C 42.171 0.300 1 592 102 55 TYR CD1 C 132.380 0.300 1 593 102 55 TYR CD2 C 132.380 0.300 1 594 102 55 TYR CE1 C 117.868 0.300 1 595 102 55 TYR CE2 C 117.868 0.300 1 596 102 55 TYR N N 114.882 0.300 1 597 103 56 VAL H H 9.011 0.030 1 598 103 56 VAL HA H 4.027 0.030 1 599 103 56 VAL HB H 1.427 0.030 1 600 103 56 VAL HG1 H 0.179 0.030 1 601 103 56 VAL HG2 H -0.344 0.030 1 602 103 56 VAL C C 173.121 0.300 1 603 103 56 VAL CA C 61.372 0.300 1 604 103 56 VAL CB C 34.513 0.300 1 605 103 56 VAL CG1 C 20.833 0.300 2 606 103 56 VAL CG2 C 19.279 0.300 2 607 103 56 VAL N N 122.222 0.300 1 608 104 57 VAL H H 8.777 0.030 1 609 104 57 VAL HA H 4.730 0.030 1 610 104 57 VAL HB H 2.130 0.030 1 611 104 57 VAL HG1 H 0.838 0.030 1 612 104 57 VAL HG2 H 0.943 0.030 1 613 104 57 VAL C C 176.194 0.300 1 614 104 57 VAL CA C 60.368 0.300 1 615 104 57 VAL CB C 32.230 0.300 1 616 104 57 VAL CG1 C 20.640 0.300 2 617 104 57 VAL CG2 C 20.401 0.300 2 618 104 57 VAL N N 125.513 0.300 1 619 105 58 TYR H H 9.074 0.030 1 620 105 58 TYR HA H 4.534 0.030 1 621 105 58 TYR HB2 H 3.748 0.030 2 622 105 58 TYR HB3 H 2.855 0.030 2 623 105 58 TYR HD1 H 7.140 0.030 1 624 105 58 TYR HD2 H 7.140 0.030 1 625 105 58 TYR HE1 H 6.661 0.030 1 626 105 58 TYR HE2 H 6.661 0.030 1 627 105 58 TYR C C 175.872 0.300 1 628 105 58 TYR CA C 60.588 0.300 1 629 105 58 TYR CB C 39.313 0.300 1 630 105 58 TYR CD1 C 132.480 0.300 1 631 105 58 TYR CD2 C 132.480 0.300 1 632 105 58 TYR CE1 C 118.190 0.300 1 633 105 58 TYR CE2 C 118.190 0.300 1 634 105 58 TYR N N 128.397 0.300 1 635 106 59 GLU H H 7.831 0.030 1 636 106 59 GLU HA H 4.249 0.030 1 637 106 59 GLU HB2 H 2.179 0.030 2 638 106 59 GLU HB3 H 2.023 0.030 2 639 106 59 GLU HG2 H 2.254 0.030 2 640 106 59 GLU HG3 H 2.067 0.030 2 641 106 59 GLU C C 177.084 0.300 1 642 106 59 GLU CA C 59.140 0.300 1 643 106 59 GLU CB C 30.284 0.300 1 644 106 59 GLU CG C 35.995 0.300 1 645 106 59 GLU N N 117.968 0.300 1 646 107 60 ASP H H 9.380 0.030 1 647 107 60 ASP HA H 5.231 0.030 1 648 107 60 ASP HB2 H 2.981 0.030 2 649 107 60 ASP HB3 H 2.534 0.030 2 650 107 60 ASP C C 176.816 0.300 1 651 107 60 ASP CA C 52.663 0.300 1 652 107 60 ASP CB C 45.877 0.300 1 653 107 60 ASP N N 120.062 0.300 1 654 108 61 ILE H H 8.996 0.030 1 655 108 61 ILE HA H 3.685 0.030 1 656 108 61 ILE HB H 1.533 0.030 1 657 108 61 ILE HD1 H 0.604 0.030 1 658 108 61 ILE HG12 H 1.000 0.030 2 659 108 61 ILE HG13 H 0.812 0.030 2 660 108 61 ILE HG2 H 0.438 0.030 1 661 108 61 ILE C C 174.746 0.300 1 662 108 61 ILE CA C 64.985 0.300 1 663 108 61 ILE CB C 38.788 0.300 1 664 108 61 ILE CD1 C 14.599 0.300 1 665 108 61 ILE CG1 C 29.260 0.300 1 666 108 61 ILE CG2 C 16.451 0.300 1 667 108 61 ILE N N 126.981 0.300 1 668 109 62 PHE H H 8.455 0.030 1 669 109 62 PHE HA H 4.081 0.030 1 670 109 62 PHE HB2 H 3.232 0.030 2 671 109 62 PHE HB3 H 3.108 0.030 2 672 109 62 PHE HD1 H 7.530 0.030 1 673 109 62 PHE HD2 H 7.530 0.030 1 674 109 62 PHE HE1 H 7.368 0.030 1 675 109 62 PHE HE2 H 7.368 0.030 1 676 109 62 PHE HZ H 7.324 0.030 1 677 109 62 PHE C C 179.385 0.300 1 678 109 62 PHE CA C 62.123 0.300 1 679 109 62 PHE CB C 37.502 0.300 1 680 109 62 PHE CD1 C 132.082 0.300 1 681 109 62 PHE CD2 C 132.082 0.300 1 682 109 62 PHE CE1 C 131.480 0.300 1 683 109 62 PHE CE2 C 131.480 0.300 1 684 109 62 PHE CZ C 128.140 0.300 1 685 109 62 PHE N N 121.788 0.300 1 686 110 63 ASP H H 7.690 0.030 1 687 110 63 ASP HA H 4.540 0.030 1 688 110 63 ASP HB2 H 3.107 0.030 2 689 110 63 ASP HB3 H 2.697 0.030 2 690 110 63 ASP C C 177.181 0.300 1 691 110 63 ASP CA C 57.075 0.300 1 692 110 63 ASP CB C 39.837 0.300 1 693 110 63 ASP N N 123.227 0.300 1 694 111 64 ALA H H 7.270 0.030 1 695 111 64 ALA HA H 3.302 0.030 1 696 111 64 ALA HB H 1.644 0.030 1 697 111 64 ALA C C 179.065 0.300 1 698 111 64 ALA CA C 54.893 0.300 1 699 111 64 ALA CB C 19.893 0.300 1 700 111 64 ALA N N 121.457 0.300 1 701 112 65 LYS H H 7.757 0.030 1 702 112 65 LYS HA H 4.813 0.030 1 703 112 65 LYS HB2 H 1.925 0.030 2 704 112 65 LYS HB3 H 1.797 0.030 2 705 112 65 LYS HD2 H 1.677 0.030 1 706 112 65 LYS HD3 H 1.677 0.030 1 707 112 65 LYS HE2 H 3.073 0.030 2 708 112 65 LYS HE3 H 3.008 0.030 2 709 112 65 LYS HG2 H 1.536 0.030 2 710 112 65 LYS HG3 H 1.475 0.030 2 711 112 65 LYS C C 177.916 0.300 1 712 112 65 LYS CA C 58.125 0.300 1 713 112 65 LYS CB C 32.390 0.300 1 714 112 65 LYS CD C 29.461 0.300 1 715 112 65 LYS CE C 42.559 0.300 1 716 112 65 LYS CG C 24.993 0.300 1 717 112 65 LYS N N 117.861 0.300 1 718 113 66 ASN H H 7.641 0.030 1 719 113 66 ASN HA H 4.559 0.030 1 720 113 66 ASN HB2 H 3.112 0.030 1 721 113 66 ASN HB3 H 3.112 0.030 1 722 113 66 ASN HD21 H 8.323 0.030 2 723 113 66 ASN HD22 H 6.952 0.030 2 724 113 66 ASN C C 178.404 0.300 1 725 113 66 ASN CA C 56.067 0.300 1 726 113 66 ASN CB C 38.445 0.300 1 727 113 66 ASN N N 117.207 0.300 1 728 113 66 ASN ND2 N 113.019 0.300 1 729 114 67 ALA H H 8.459 0.030 1 730 114 67 ALA HA H 2.519 0.030 1 731 114 67 ALA HB H 1.187 0.030 1 732 114 67 ALA C C 178.369 0.300 1 733 114 67 ALA CA C 55.015 0.300 1 734 114 67 ALA CB C 19.273 0.300 1 735 114 67 ALA N N 123.328 0.300 1 736 115 68 CYS H H 8.768 0.030 1 737 115 68 CYS HA H 3.556 0.030 1 738 115 68 CYS HB2 H 3.226 0.030 2 739 115 68 CYS HB3 H 2.644 0.030 2 740 115 68 CYS C C 177.354 0.300 1 741 115 68 CYS CA C 62.168 0.300 1 742 115 68 CYS CB C 26.256 0.300 1 743 115 68 CYS N N 119.829 0.300 1 744 116 69 ASP H H 8.583 0.030 1 745 116 69 ASP HA H 4.313 0.030 1 746 116 69 ASP HB2 H 2.705 0.030 2 747 116 69 ASP HB3 H 2.377 0.030 2 748 116 69 ASP C C 178.233 0.300 1 749 116 69 ASP CA C 56.688 0.300 1 750 116 69 ASP CB C 40.173 0.300 1 751 116 69 ASP N N 116.344 0.300 1 752 117 70 HIS H H 7.530 0.030 1 753 117 70 HIS HA H 4.473 0.030 1 754 117 70 HIS HB2 H 3.266 0.030 2 755 117 70 HIS HB3 H 2.691 0.030 2 756 117 70 HIS HD2 H 7.369 0.030 1 757 117 70 HIS HE1 H 8.355 0.030 1 758 117 70 HIS C C 176.583 0.300 1 759 117 70 HIS CA C 59.363 0.300 1 760 117 70 HIS CB C 30.229 0.300 1 761 117 70 HIS CD2 C 121.870 0.300 1 762 117 70 HIS CE1 C 137.476 0.300 1 763 117 70 HIS N N 114.043 0.300 1 764 118 71 LEU H H 8.548 0.030 1 765 118 71 LEU HA H 4.360 0.030 1 766 118 71 LEU HB2 H 1.656 0.030 2 767 118 71 LEU HB3 H 1.220 0.030 2 768 118 71 LEU HD1 H 0.274 0.030 1 769 118 71 LEU HD2 H 0.430 0.030 1 770 118 71 LEU HG H 1.301 0.030 1 771 118 71 LEU C C 177.352 0.300 1 772 118 71 LEU CA C 55.640 0.300 1 773 118 71 LEU CB C 43.188 0.300 1 774 118 71 LEU CD1 C 23.029 0.300 2 775 118 71 LEU CD2 C 27.678 0.300 2 776 118 71 LEU CG C 26.519 0.300 1 777 118 71 LEU N N 118.310 0.300 1 778 119 72 SER H H 7.346 0.030 1 779 119 72 SER HA H 4.122 0.030 1 780 119 72 SER HB2 H 4.038 0.030 2 781 119 72 SER HB3 H 3.980 0.030 2 782 119 72 SER C C 176.291 0.300 1 783 119 72 SER CA C 60.681 0.300 1 784 119 72 SER CB C 62.875 0.300 1 785 119 72 SER N N 113.848 0.300 1 786 120 73 GLY H H 8.779 0.030 1 787 120 73 GLY HA2 H 4.223 0.030 2 788 120 73 GLY HA3 H 3.814 0.030 2 789 120 73 GLY C C 173.497 0.300 1 790 120 73 GLY CA C 46.127 0.300 1 791 120 73 GLY N N 117.303 0.300 1 792 121 74 PHE H H 8.071 0.030 1 793 121 74 PHE HA H 4.415 0.030 1 794 121 74 PHE HB2 H 3.293 0.030 2 795 121 74 PHE HB3 H 2.920 0.030 2 796 121 74 PHE HD1 H 7.122 0.030 1 797 121 74 PHE HD2 H 7.122 0.030 1 798 121 74 PHE HE1 H 7.284 0.030 1 799 121 74 PHE HE2 H 7.284 0.030 1 800 121 74 PHE HZ H 7.309 0.030 1 801 121 74 PHE C C 174.308 0.300 1 802 121 74 PHE CA C 58.743 0.300 1 803 121 74 PHE CB C 41.248 0.300 1 804 121 74 PHE CD1 C 132.140 0.300 1 805 121 74 PHE CD2 C 132.140 0.300 1 806 121 74 PHE CE1 C 131.480 0.300 1 807 121 74 PHE CE2 C 131.480 0.300 1 808 121 74 PHE CZ C 129.890 0.300 1 809 121 74 PHE N N 122.744 0.300 1 810 122 75 ASN H H 7.697 0.030 1 811 122 75 ASN HA H 4.771 0.030 1 812 122 75 ASN HB2 H 2.493 0.030 2 813 122 75 ASN HB3 H 2.260 0.030 2 814 122 75 ASN HD21 H 6.368 0.030 2 815 122 75 ASN HD22 H 6.228 0.030 2 816 122 75 ASN C C 173.968 0.300 1 817 122 75 ASN CA C 52.408 0.300 1 818 122 75 ASN CB C 39.511 0.300 1 819 122 75 ASN N N 125.082 0.300 1 820 122 75 ASN ND2 N 108.751 0.300 1 821 123 76 VAL H H 8.559 0.030 1 822 123 76 VAL HA H 4.120 0.030 1 823 123 76 VAL HB H 1.933 0.030 1 824 123 76 VAL HG1 H 1.020 0.030 1 825 123 76 VAL HG2 H 0.917 0.030 1 826 123 76 VAL C C 174.849 0.300 1 827 123 76 VAL CA C 60.929 0.300 1 828 123 76 VAL CB C 33.874 0.300 1 829 123 76 VAL CG1 C 21.851 0.300 2 830 123 76 VAL CG2 C 20.779 0.300 2 831 123 76 VAL N N 125.390 0.300 1 832 124 77 CYS H H 9.269 0.030 1 833 124 77 CYS HA H 3.841 0.030 1 834 124 77 CYS HB2 H 3.109 0.030 2 835 124 77 CYS HB3 H 2.786 0.030 2 836 124 77 CYS C C 173.962 0.300 1 837 124 77 CYS CA C 60.335 0.300 1 838 124 77 CYS CB C 25.617 0.300 1 839 124 77 CYS N N 123.755 0.300 1 840 125 78 ASN H H 8.271 0.030 1 841 125 78 ASN HA H 4.202 0.030 1 842 125 78 ASN HB2 H 2.984 0.030 2 843 125 78 ASN HB3 H 2.905 0.030 2 844 125 78 ASN HD21 H 7.469 0.030 2 845 125 78 ASN HD22 H 6.856 0.030 2 846 125 78 ASN C C 173.784 0.300 1 847 125 78 ASN CA C 54.427 0.300 1 848 125 78 ASN CB C 37.490 0.300 1 849 125 78 ASN N N 110.951 0.300 1 850 125 78 ASN ND2 N 113.000 0.300 1 851 126 79 ARG H H 7.601 0.030 1 852 126 79 ARG HA H 4.371 0.030 1 853 126 79 ARG HB2 H 1.881 0.030 2 854 126 79 ARG HB3 H 1.806 0.030 2 855 126 79 ARG HD2 H 2.988 0.030 1 856 126 79 ARG HD3 H 2.988 0.030 1 857 126 79 ARG HG2 H 1.503 0.030 1 858 126 79 ARG HG3 H 1.503 0.030 1 859 126 79 ARG C C 174.007 0.300 1 860 126 79 ARG CA C 54.488 0.300 1 861 126 79 ARG CB C 32.752 0.300 1 862 126 79 ARG CD C 43.278 0.300 1 863 126 79 ARG CG C 26.900 0.300 1 864 126 79 ARG N N 118.543 0.300 1 865 127 80 TYR H H 8.145 0.030 1 866 127 80 TYR HA H 4.859 0.030 1 867 127 80 TYR HB2 H 2.737 0.030 1 868 127 80 TYR HB3 H 2.737 0.030 1 869 127 80 TYR HD1 H 7.114 0.030 1 870 127 80 TYR HD2 H 7.114 0.030 1 871 127 80 TYR HE1 H 6.765 0.030 1 872 127 80 TYR HE2 H 6.765 0.030 1 873 127 80 TYR C C 176.611 0.300 1 874 127 80 TYR CA C 56.779 0.300 1 875 127 80 TYR CB C 38.571 0.300 1 876 127 80 TYR CD1 C 133.389 0.300 1 877 127 80 TYR CD2 C 133.389 0.300 1 878 127 80 TYR CE1 C 117.890 0.300 1 879 127 80 TYR CE2 C 117.890 0.300 1 880 127 80 TYR N N 119.059 0.300 1 881 128 81 LEU H H 9.044 0.030 1 882 128 81 LEU HA H 4.340 0.030 1 883 128 81 LEU HB2 H 2.229 0.030 2 884 128 81 LEU HB3 H 1.329 0.030 2 885 128 81 LEU HD1 H 0.916 0.030 1 886 128 81 LEU HD2 H 0.757 0.030 1 887 128 81 LEU HG H 2.112 0.030 1 888 128 81 LEU C C 177.801 0.300 1 889 128 81 LEU CA C 56.208 0.300 1 890 128 81 LEU CB C 42.581 0.300 1 891 128 81 LEU CD1 C 25.554 0.300 2 892 128 81 LEU CD2 C 22.617 0.300 2 893 128 81 LEU CG C 26.406 0.300 1 894 128 81 LEU N N 123.334 0.300 1 895 129 82 VAL H H 7.922 0.030 1 896 129 82 VAL HA H 4.329 0.030 1 897 129 82 VAL HB H 1.721 0.030 1 898 129 82 VAL HG1 H 0.893 0.030 1 899 129 82 VAL HG2 H 0.997 0.030 1 900 129 82 VAL CA C 62.096 0.300 1 901 129 82 VAL CB C 33.636 0.300 1 902 129 82 VAL CG1 C 20.400 0.300 2 903 129 82 VAL CG2 C 20.982 0.300 2 904 129 82 VAL N N 124.002 0.300 1 905 130 83 VAL H H 8.451 0.030 1 906 130 83 VAL HA H 4.761 0.030 1 907 130 83 VAL HB H 1.928 0.030 1 908 130 83 VAL HG1 H 0.895 0.030 1 909 130 83 VAL HG2 H 0.871 0.030 1 910 130 83 VAL C C 173.322 0.300 1 911 130 83 VAL CA C 61.492 0.300 1 912 130 83 VAL CB C 34.231 0.300 1 913 130 83 VAL CG1 C 23.890 0.300 2 914 130 83 VAL CG2 C 21.585 0.300 2 915 130 83 VAL N N 127.023 0.300 1 916 131 84 LEU H H 9.061 0.030 1 917 131 84 LEU HA H 4.653 0.030 1 918 131 84 LEU HB2 H 1.802 0.030 1 919 131 84 LEU HB3 H 1.802 0.030 1 920 131 84 LEU HD1 H 0.975 0.030 1 921 131 84 LEU HD2 H 0.970 0.030 1 922 131 84 LEU HG H 1.636 0.030 1 923 131 84 LEU C C 176.205 0.300 1 924 131 84 LEU CA C 53.390 0.300 1 925 131 84 LEU CB C 45.993 0.300 1 926 131 84 LEU CD1 C 24.224 0.300 2 927 131 84 LEU CD2 C 25.889 0.300 2 928 131 84 LEU CG C 27.140 0.300 1 929 131 84 LEU N N 126.726 0.300 1 930 132 85 TYR H H 8.176 0.030 1 931 132 85 TYR HA H 4.951 0.030 1 932 132 85 TYR HB2 H 3.186 0.030 2 933 132 85 TYR HB3 H 2.764 0.030 2 934 132 85 TYR HD1 H 7.267 0.030 1 935 132 85 TYR HD2 H 7.267 0.030 1 936 132 85 TYR HE1 H 6.711 0.030 1 937 132 85 TYR HE2 H 6.711 0.030 1 938 132 85 TYR C C 176.756 0.300 1 939 132 85 TYR CA C 59.230 0.300 1 940 132 85 TYR CB C 39.715 0.300 1 941 132 85 TYR CD1 C 133.558 0.300 1 942 132 85 TYR CD2 C 133.558 0.300 1 943 132 85 TYR CE1 C 118.890 0.300 1 944 132 85 TYR CE2 C 118.890 0.300 1 945 132 85 TYR N N 118.891 0.300 1 946 133 86 TYR H H 8.924 0.030 1 947 133 86 TYR HA H 4.576 0.030 1 948 133 86 TYR HB2 H 3.021 0.030 2 949 133 86 TYR HB3 H 2.866 0.030 2 950 133 86 TYR HD1 H 6.990 0.030 1 951 133 86 TYR HD2 H 6.990 0.030 1 952 133 86 TYR HE1 H 6.526 0.030 1 953 133 86 TYR HE2 H 6.526 0.030 1 954 133 86 TYR C C 173.377 0.300 1 955 133 86 TYR CA C 58.092 0.300 1 956 133 86 TYR CB C 39.746 0.300 1 957 133 86 TYR CD1 C 132.673 0.300 1 958 133 86 TYR CD2 C 132.673 0.300 1 959 133 86 TYR CE1 C 118.311 0.300 1 960 133 86 TYR CE2 C 118.311 0.300 1 961 133 86 TYR N N 124.746 0.300 1 962 134 87 ASN H H 7.201 0.030 1 963 134 87 ASN HA H 4.209 0.030 1 964 134 87 ASN HB2 H 2.582 0.030 2 965 134 87 ASN HB3 H 2.502 0.030 2 966 134 87 ASN HD21 H 7.394 0.030 2 967 134 87 ASN HD22 H 7.118 0.030 2 968 134 87 ASN CA C 54.823 0.300 1 969 134 87 ASN CB C 41.992 0.300 1 970 134 87 ASN N N 129.551 0.300 1 971 134 87 ASN ND2 N 113.447 0.300 1 stop_ save_