data_11400 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RNA recognition motif in Arginine/serine-rich splicing factor 10 ; _BMRB_accession_number 11400 _BMRB_flat_file_name bmr11400.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Someya T. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 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" 486 "13C chemical shifts" 365 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the RNA recognition motif in Arginine/serine-rich splicing factor 10 ; _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 Someya T. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 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 'Arginine/serine-rich splicing factor 10' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA recognition motif' $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 'RNA recognition motif' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GSSGSSGNRANPDPNCCLGV FGLSLYTTERDLREVFSKYG PIADVSIVYDQQSRRSRGFA FVYFENVDDAKEAKERANGM ELDGRRIRVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 ARG 10 ALA 11 ASN 12 PRO 13 ASP 14 PRO 15 ASN 16 CYS 17 CYS 18 LEU 19 GLY 20 VAL 21 PHE 22 GLY 23 LEU 24 SER 25 LEU 26 TYR 27 THR 28 THR 29 GLU 30 ARG 31 ASP 32 LEU 33 ARG 34 GLU 35 VAL 36 PHE 37 SER 38 LYS 39 TYR 40 GLY 41 PRO 42 ILE 43 ALA 44 ASP 45 VAL 46 SER 47 ILE 48 VAL 49 TYR 50 ASP 51 GLN 52 GLN 53 SER 54 ARG 55 ARG 56 SER 57 ARG 58 GLY 59 PHE 60 ALA 61 PHE 62 VAL 63 TYR 64 PHE 65 GLU 66 ASN 67 VAL 68 ASP 69 ASP 70 ALA 71 LYS 72 GLU 73 ALA 74 LYS 75 GLU 76 ARG 77 ALA 78 ASN 79 GLY 80 MET 81 GLU 82 LEU 83 ASP 84 GLY 85 ARG 86 ARG 87 ILE 88 ARG 89 VAL 90 SER 91 GLY 92 PRO 93 SER 94 SER 95 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11409 "RNA recognition motif" 93.68 99 100.00 100.00 7.08e-57 BMRB 11410 "RNA recognition motif" 93.68 99 100.00 100.00 7.08e-57 BMRB 11411 "RNA recognition motif" 93.68 99 100.00 100.00 7.08e-57 BMRB 11412 "RNA recognition motif" 93.68 99 100.00 100.00 7.08e-57 BMRB 16920 Tra2beta1 87.37 95 100.00 100.00 5.73e-53 PDB 2CQC "Solution Structure Of The Rna Recognition Motif In ArginineSERINE-Rich Splicing Factor 10" 100.00 95 100.00 100.00 6.64e-61 PDB 2KXN "Nmr Structure Of Human Tra2beta1 Rrm In Complex With Aagaac Rna" 87.37 129 100.00 100.00 7.09e-54 PDB 2RRA "Solution Structure Of Rna Binding Domain In Human Tra2 Beta Protein In Complex With Rna (Gaagaa)" 93.68 99 100.00 100.00 7.08e-57 DBJ BAA08556 "RNA binding protein (transformer-2-like) [Rattus norvegicus]" 87.37 288 100.00 100.00 8.30e-53 DBJ BAC05256 "unnamed protein product [Homo sapiens]" 87.37 252 100.00 100.00 2.55e-52 DBJ BAC33819 "unnamed protein product [Mus musculus]" 87.37 288 100.00 100.00 8.30e-53 DBJ BAD92445 "splicing factor, arginine/serine-rich 10 (transformer 2 homolog, Drosophila) variant [Homo sapiens]" 87.37 278 100.00 100.00 9.20e-53 DBJ BAE88784 "unnamed protein product [Macaca fascicularis]" 87.37 288 100.00 100.00 1.26e-52 EMBL CAA56518 "SIG41 [Mus musculus]" 87.37 288 100.00 100.00 8.30e-53 EMBL CAH18071 "hypothetical protein [Homo sapiens]" 87.37 276 100.00 100.00 7.10e-53 EMBL CAH90742 "hypothetical protein [Pongo abelii]" 87.37 288 98.80 98.80 1.02e-51 GB AAB08701 "transformer-2 beta [Homo sapiens]" 87.37 288 100.00 100.00 8.30e-53 GB AAC28242 "htra2-beta [Homo sapiens]" 87.37 288 100.00 100.00 8.30e-53 GB AAD19277 "transformer-2-beta isoform 1 [Homo sapiens]" 87.37 288 100.00 100.00 8.30e-53 GB AAD19278 "transformer-2-beta isoform 3 [Homo sapiens]" 87.37 188 100.00 100.00 8.98e-52 GB AAG35783 "transformer-2 beta [Gallus gallus]" 87.37 289 98.80 100.00 5.48e-52 REF NP_001006878 "transformer-2 protein homolog beta [Xenopus (Silurana) tropicalis]" 87.37 293 97.59 100.00 5.70e-52 REF NP_001029948 "transformer-2 protein homolog beta [Bos taurus]" 87.37 288 100.00 100.00 8.30e-53 REF NP_001070689 "transformer-2 protein homolog beta [Sus scrofa]" 87.37 288 100.00 100.00 8.30e-53 REF NP_001125414 "transformer-2 protein homolog beta [Pongo abelii]" 87.37 288 98.80 98.80 1.02e-51 REF NP_001230808 "transformer-2 protein homolog beta isoform 2 [Homo sapiens]" 87.37 188 100.00 100.00 8.98e-52 SP P62995 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; Short=hTRA2-beta; AltName: Full=Splicing f" 87.37 288 100.00 100.00 8.30e-53 SP P62996 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Silica-induced gene 41 prote" 87.37 288 100.00 100.00 8.30e-53 SP P62997 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=RA301; AltName: Full=Splicin" 87.37 288 100.00 100.00 8.30e-53 SP Q3ZBT6 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Splicing factor, arginine/se" 87.37 288 100.00 100.00 8.30e-53 TPG DAA33375 "TPA: transformer-2 protein homolog beta [Bos taurus]" 87.37 288 100.00 100.00 8.30e-53 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 P040517-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.14mM PROTEIN {U-15N,13C;} 20mM {d-Tris-HCL(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % '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 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . 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' 120 0.1 mM pH 7.0 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 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 '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 8 8 ASN HA H 4.637 0.030 1 2 8 8 ASN HB2 H 2.723 0.030 1 3 8 8 ASN HB3 H 2.723 0.030 1 4 8 8 ASN CA C 53.169 0.300 1 5 8 8 ASN CB C 38.946 0.300 1 6 9 9 ARG H H 8.261 0.030 1 7 9 9 ARG HA H 4.247 0.030 1 8 9 9 ARG HB2 H 1.794 0.030 2 9 9 9 ARG HB3 H 1.688 0.030 2 10 9 9 ARG HD2 H 3.088 0.030 1 11 9 9 ARG HD3 H 3.088 0.030 1 12 9 9 ARG HG2 H 1.531 0.030 2 13 9 9 ARG HG3 H 1.450 0.030 2 14 9 9 ARG CA C 55.978 0.300 1 15 9 9 ARG CB C 30.659 0.300 1 16 9 9 ARG CD C 43.204 0.300 1 17 9 9 ARG CG C 27.072 0.300 1 18 9 9 ARG N N 121.416 0.300 1 19 10 10 ALA H H 8.194 0.030 1 20 10 10 ALA HA H 4.165 0.030 1 21 10 10 ALA HB H 1.280 0.030 1 22 10 10 ALA CA C 52.591 0.300 1 23 10 10 ALA CB C 19.252 0.300 1 24 10 10 ALA N N 124.609 0.300 1 25 11 11 ASN H H 8.267 0.030 1 26 11 11 ASN HA H 4.892 0.030 1 27 11 11 ASN HB2 H 2.843 0.030 2 28 11 11 ASN HB3 H 2.647 0.030 2 29 11 11 ASN HD21 H 7.592 0.030 2 30 11 11 ASN HD22 H 6.912 0.030 2 31 11 11 ASN CA C 51.068 0.300 1 32 11 11 ASN CB C 39.101 0.300 1 33 11 11 ASN N N 118.510 0.300 1 34 11 11 ASN ND2 N 113.299 0.300 1 35 12 12 PRO HA H 4.327 0.030 1 36 12 12 PRO HB2 H 1.999 0.030 2 37 12 12 PRO HB3 H 1.760 0.030 2 38 12 12 PRO HD2 H 3.658 0.030 2 39 12 12 PRO HD3 H 3.593 0.030 2 40 12 12 PRO HG2 H 1.775 0.030 1 41 12 12 PRO HG3 H 1.775 0.030 1 42 12 12 PRO CA C 62.952 0.300 1 43 12 12 PRO CB C 32.087 0.300 1 44 12 12 PRO CD C 50.506 0.300 1 45 12 12 PRO CG C 26.959 0.300 1 46 13 13 ASP H H 8.435 0.030 1 47 13 13 ASP HB2 H 3.018 0.030 2 48 13 13 ASP HB3 H 2.648 0.030 2 49 13 13 ASP CB C 42.359 0.300 1 50 13 13 ASP N N 123.487 0.300 1 51 14 14 PRO HA H 4.266 0.030 1 52 14 14 PRO HD2 H 4.031 0.030 2 53 14 14 PRO HD3 H 3.975 0.030 2 54 14 14 PRO HG2 H 1.979 0.030 1 55 14 14 PRO HG3 H 1.979 0.030 1 56 14 14 PRO C C 178.450 0.300 1 57 14 14 PRO CA C 64.531 0.300 1 58 14 14 PRO CB C 32.024 0.300 1 59 14 14 PRO CD C 51.334 0.300 1 60 14 14 PRO CG C 27.274 0.300 1 61 15 15 ASN H H 8.806 0.030 1 62 15 15 ASN HA H 4.542 0.030 1 63 15 15 ASN HB2 H 2.854 0.030 2 64 15 15 ASN HB3 H 2.705 0.030 2 65 15 15 ASN HD21 H 8.156 0.030 2 66 15 15 ASN HD22 H 7.041 0.030 2 67 15 15 ASN C C 175.846 0.300 1 68 15 15 ASN CA C 55.040 0.300 1 69 15 15 ASN CB C 38.271 0.300 1 70 15 15 ASN N N 114.640 0.300 1 71 15 15 ASN ND2 N 115.697 0.300 1 72 16 16 CYS H H 7.989 0.030 1 73 16 16 CYS HA H 4.243 0.030 1 74 16 16 CYS HB2 H 3.614 0.030 2 75 16 16 CYS HB3 H 3.110 0.030 2 76 16 16 CYS C C 172.399 0.300 1 77 16 16 CYS CA C 60.319 0.300 1 78 16 16 CYS CB C 28.346 0.300 1 79 16 16 CYS N N 115.921 0.300 1 80 17 17 CYS H H 7.311 0.030 1 81 17 17 CYS HA H 4.689 0.030 1 82 17 17 CYS HB2 H 2.832 0.030 2 83 17 17 CYS HB3 H 2.469 0.030 2 84 17 17 CYS C C 173.476 0.300 1 85 17 17 CYS CA C 57.356 0.300 1 86 17 17 CYS CB C 29.007 0.300 1 87 17 17 CYS N N 119.775 0.300 1 88 18 18 LEU H H 9.269 0.030 1 89 18 18 LEU HA H 4.933 0.030 1 90 18 18 LEU HB2 H 1.381 0.030 1 91 18 18 LEU HB3 H 1.381 0.030 1 92 18 18 LEU HD1 H 0.721 0.030 1 93 18 18 LEU HD2 H 0.807 0.030 1 94 18 18 LEU HG H 1.627 0.030 1 95 18 18 LEU C C 176.267 0.300 1 96 18 18 LEU CA C 53.045 0.300 1 97 18 18 LEU CB C 44.365 0.300 1 98 18 18 LEU CD1 C 24.252 0.300 2 99 18 18 LEU CD2 C 26.307 0.300 2 100 18 18 LEU CG C 26.840 0.300 1 101 18 18 LEU N N 129.051 0.300 1 102 19 19 GLY H H 8.770 0.030 1 103 19 19 GLY HA2 H 4.406 0.030 2 104 19 19 GLY HA3 H 3.342 0.030 2 105 19 19 GLY C C 171.836 0.300 1 106 19 19 GLY CA C 44.936 0.300 1 107 19 19 GLY N N 110.734 0.300 1 108 20 20 VAL H H 8.278 0.030 1 109 20 20 VAL HA H 4.665 0.030 1 110 20 20 VAL HB H 1.547 0.030 1 111 20 20 VAL HG1 H 0.865 0.030 1 112 20 20 VAL HG2 H 0.500 0.030 1 113 20 20 VAL C C 173.770 0.300 1 114 20 20 VAL CA C 60.973 0.300 1 115 20 20 VAL CB C 33.390 0.300 1 116 20 20 VAL CG1 C 23.099 0.300 2 117 20 20 VAL CG2 C 21.249 0.300 2 118 20 20 VAL N N 124.388 0.300 1 119 21 21 PHE H H 9.410 0.030 1 120 21 21 PHE HA H 4.977 0.030 1 121 21 21 PHE HB2 H 3.206 0.030 2 122 21 21 PHE HB3 H 2.717 0.030 2 123 21 21 PHE HD1 H 6.951 0.030 1 124 21 21 PHE HD2 H 6.951 0.030 1 125 21 21 PHE HE1 H 6.913 0.030 1 126 21 21 PHE HE2 H 6.913 0.030 1 127 21 21 PHE HZ H 7.117 0.030 1 128 21 21 PHE C C 175.618 0.300 1 129 21 21 PHE CA C 56.318 0.300 1 130 21 21 PHE CB C 42.388 0.300 1 131 21 21 PHE CD1 C 132.428 0.300 1 132 21 21 PHE CD2 C 132.428 0.300 1 133 21 21 PHE CE1 C 130.793 0.300 1 134 21 21 PHE CE2 C 130.793 0.300 1 135 21 21 PHE CZ C 129.265 0.300 1 136 21 21 PHE N N 122.987 0.300 1 137 22 22 GLY H H 8.668 0.030 1 138 22 22 GLY HA2 H 4.328 0.030 2 139 22 22 GLY HA3 H 3.843 0.030 2 140 22 22 GLY C C 175.279 0.300 1 141 22 22 GLY CA C 45.615 0.300 1 142 22 22 GLY N N 108.821 0.300 1 143 23 23 LEU H H 7.821 0.030 1 144 23 23 LEU HA H 4.207 0.030 1 145 23 23 LEU HB2 H 1.440 0.030 2 146 23 23 LEU HB3 H 1.170 0.030 2 147 23 23 LEU HD1 H 0.444 0.030 1 148 23 23 LEU HD2 H 0.804 0.030 1 149 23 23 LEU HG H 1.349 0.030 1 150 23 23 LEU C C 178.906 0.300 1 151 23 23 LEU CA C 54.078 0.300 1 152 23 23 LEU CB C 43.688 0.300 1 153 23 23 LEU CD1 C 26.301 0.300 2 154 23 23 LEU CD2 C 24.178 0.300 2 155 23 23 LEU CG C 26.913 0.300 1 156 23 23 LEU N N 116.329 0.300 1 157 24 24 SER H H 9.306 0.030 1 158 24 24 SER HA H 4.320 0.030 1 159 24 24 SER HB2 H 4.150 0.030 1 160 24 24 SER HB3 H 4.150 0.030 1 161 24 24 SER C C 176.442 0.300 1 162 24 24 SER CA C 57.606 0.300 1 163 24 24 SER CB C 63.753 0.300 1 164 24 24 SER N N 115.438 0.300 1 165 25 25 LEU H H 8.880 0.030 1 166 25 25 LEU HA H 3.879 0.030 1 167 25 25 LEU HB2 H 1.288 0.030 1 168 25 25 LEU HB3 H 1.288 0.030 1 169 25 25 LEU HD1 H 0.692 0.030 1 170 25 25 LEU HD2 H 0.844 0.030 1 171 25 25 LEU HG H 1.639 0.030 1 172 25 25 LEU C C 176.543 0.300 1 173 25 25 LEU CA C 56.814 0.300 1 174 25 25 LEU CB C 40.302 0.300 1 175 25 25 LEU CD1 C 22.043 0.300 2 176 25 25 LEU CD2 C 24.938 0.300 2 177 25 25 LEU CG C 26.985 0.300 1 178 25 25 LEU N N 125.243 0.300 1 179 26 26 TYR H H 7.739 0.030 1 180 26 26 TYR HA H 4.545 0.030 1 181 26 26 TYR HB2 H 3.289 0.030 2 182 26 26 TYR HB3 H 2.731 0.030 2 183 26 26 TYR HD1 H 7.136 0.030 1 184 26 26 TYR HD2 H 7.136 0.030 1 185 26 26 TYR HE1 H 6.858 0.030 1 186 26 26 TYR HE2 H 6.858 0.030 1 187 26 26 TYR C C 176.093 0.300 1 188 26 26 TYR CA C 57.280 0.300 1 189 26 26 TYR CB C 38.467 0.300 1 190 26 26 TYR CD1 C 133.007 0.300 1 191 26 26 TYR CD2 C 133.007 0.300 1 192 26 26 TYR CE1 C 118.254 0.300 1 193 26 26 TYR CE2 C 118.254 0.300 1 194 26 26 TYR N N 114.731 0.300 1 195 27 27 THR H H 7.108 0.030 1 196 27 27 THR HA H 4.332 0.030 1 197 27 27 THR HB H 3.873 0.030 1 198 27 27 THR HG2 H 1.306 0.030 1 199 27 27 THR C C 174.767 0.300 1 200 27 27 THR CA C 64.660 0.300 1 201 27 27 THR CB C 69.173 0.300 1 202 27 27 THR CG2 C 23.202 0.300 1 203 27 27 THR N N 119.469 0.300 1 204 28 28 THR H H 9.245 0.030 1 205 28 28 THR HA H 4.606 0.030 1 206 28 28 THR HB H 4.714 0.030 1 207 28 28 THR HG2 H 1.392 0.030 1 208 28 28 THR C C 175.478 0.300 1 209 28 28 THR CA C 60.546 0.300 1 210 28 28 THR CB C 72.971 0.300 1 211 28 28 THR CG2 C 21.735 0.300 1 212 28 28 THR N N 119.963 0.300 1 213 29 29 GLU H H 9.491 0.030 1 214 29 29 GLU HA H 3.673 0.030 1 215 29 29 GLU HB2 H 2.203 0.030 2 216 29 29 GLU HB3 H 1.942 0.030 2 217 29 29 GLU HG2 H 2.473 0.030 2 218 29 29 GLU HG3 H 2.277 0.030 2 219 29 29 GLU C C 178.439 0.300 1 220 29 29 GLU CA C 61.061 0.300 1 221 29 29 GLU CB C 28.646 0.300 1 222 29 29 GLU CG C 37.500 0.300 1 223 29 29 GLU N N 121.032 0.300 1 224 30 30 ARG H H 8.166 0.030 1 225 30 30 ARG HA H 3.952 0.030 1 226 30 30 ARG HB2 H 1.932 0.030 2 227 30 30 ARG HB3 H 1.746 0.030 2 228 30 30 ARG HD2 H 3.196 0.030 1 229 30 30 ARG HD3 H 3.196 0.030 1 230 30 30 ARG HG2 H 1.728 0.030 2 231 30 30 ARG HG3 H 1.612 0.030 2 232 30 30 ARG C C 178.442 0.300 1 233 30 30 ARG CA C 59.499 0.300 1 234 30 30 ARG CB C 29.760 0.300 1 235 30 30 ARG CD C 43.295 0.300 1 236 30 30 ARG CG C 26.788 0.300 1 237 30 30 ARG N N 119.414 0.300 1 238 31 31 ASP H H 7.505 0.030 1 239 31 31 ASP HA H 4.344 0.030 1 240 31 31 ASP HB2 H 3.111 0.030 2 241 31 31 ASP HB3 H 2.673 0.030 2 242 31 31 ASP C C 178.897 0.300 1 243 31 31 ASP CA C 57.358 0.300 1 244 31 31 ASP CB C 41.258 0.300 1 245 31 31 ASP N N 119.612 0.300 1 246 32 32 LEU H H 7.713 0.030 1 247 32 32 LEU HA H 4.094 0.030 1 248 32 32 LEU HB2 H 1.971 0.030 2 249 32 32 LEU HB3 H 1.241 0.030 2 250 32 32 LEU HD1 H 0.731 0.030 1 251 32 32 LEU HD2 H 0.510 0.030 1 252 32 32 LEU HG H 1.664 0.030 1 253 32 32 LEU C C 178.947 0.300 1 254 32 32 LEU CA C 57.568 0.300 1 255 32 32 LEU CB C 42.756 0.300 1 256 32 32 LEU CD1 C 23.651 0.300 2 257 32 32 LEU CD2 C 26.326 0.300 2 258 32 32 LEU CG C 26.635 0.300 1 259 32 32 LEU N N 117.444 0.300 1 260 33 33 ARG H H 8.685 0.030 1 261 33 33 ARG HA H 3.764 0.030 1 262 33 33 ARG HB2 H 1.946 0.030 1 263 33 33 ARG HB3 H 1.946 0.030 1 264 33 33 ARG HD2 H 3.284 0.030 2 265 33 33 ARG HD3 H 3.104 0.030 2 266 33 33 ARG HG2 H 1.580 0.030 2 267 33 33 ARG HG3 H 1.482 0.030 2 268 33 33 ARG C C 178.658 0.300 1 269 33 33 ARG CA C 60.624 0.300 1 270 33 33 ARG CB C 30.216 0.300 1 271 33 33 ARG CD C 43.156 0.300 1 272 33 33 ARG CG C 29.566 0.300 1 273 33 33 ARG N N 119.924 0.300 1 274 34 34 GLU H H 8.156 0.030 1 275 34 34 GLU HA H 3.963 0.030 1 276 34 34 GLU HB2 H 2.185 0.030 2 277 34 34 GLU HB3 H 2.143 0.030 2 278 34 34 GLU HG2 H 2.358 0.030 2 279 34 34 GLU HG3 H 2.283 0.030 2 280 34 34 GLU CA C 59.704 0.300 1 281 34 34 GLU CB C 29.386 0.300 1 282 34 34 GLU CG C 36.255 0.300 1 283 34 34 GLU N N 119.624 0.300 1 284 35 35 VAL H H 7.618 0.030 1 285 35 35 VAL HA H 3.750 0.030 1 286 35 35 VAL HB H 1.970 0.030 1 287 35 35 VAL HG1 H 1.036 0.030 1 288 35 35 VAL HG2 H 0.477 0.030 1 289 35 35 VAL C C 178.343 0.300 1 290 35 35 VAL CA C 65.627 0.300 1 291 35 35 VAL CB C 32.627 0.300 1 292 35 35 VAL CG1 C 22.464 0.300 2 293 35 35 VAL CG2 C 20.912 0.300 2 294 35 35 VAL N N 116.368 0.300 1 295 36 36 PHE H H 8.466 0.030 1 296 36 36 PHE HA H 4.539 0.030 1 297 36 36 PHE HB2 H 3.353 0.030 2 298 36 36 PHE HB3 H 2.844 0.030 2 299 36 36 PHE HD1 H 7.610 0.030 1 300 36 36 PHE HD2 H 7.610 0.030 1 301 36 36 PHE HE1 H 6.997 0.030 1 302 36 36 PHE HE2 H 6.997 0.030 1 303 36 36 PHE HZ H 6.976 0.030 1 304 36 36 PHE C C 177.379 0.300 1 305 36 36 PHE CA C 62.949 0.300 1 306 36 36 PHE CB C 38.478 0.300 1 307 36 36 PHE CD1 C 131.154 0.300 1 308 36 36 PHE CD2 C 131.154 0.300 1 309 36 36 PHE CE1 C 130.565 0.300 1 310 36 36 PHE CE2 C 130.565 0.300 1 311 36 36 PHE CZ C 129.336 0.300 1 312 36 36 PHE N N 114.877 0.300 1 313 37 37 SER H H 8.336 0.030 1 314 37 37 SER HA H 4.878 0.030 1 315 37 37 SER HB2 H 4.081 0.030 2 316 37 37 SER HB3 H 4.011 0.030 2 317 37 37 SER C C 175.642 0.300 1 318 37 37 SER CA C 61.027 0.300 1 319 37 37 SER CB C 62.982 0.300 1 320 37 37 SER N N 115.268 0.300 1 321 38 38 LYS H H 6.955 0.030 1 322 38 38 LYS HA H 3.956 0.030 1 323 38 38 LYS HB2 H 1.383 0.030 2 324 38 38 LYS HB3 H 1.318 0.030 2 325 38 38 LYS HD2 H 1.487 0.030 2 326 38 38 LYS HD3 H 1.456 0.030 2 327 38 38 LYS HE2 H 2.863 0.030 1 328 38 38 LYS HE3 H 2.863 0.030 1 329 38 38 LYS HG2 H 1.091 0.030 2 330 38 38 LYS HG3 H 0.970 0.030 2 331 38 38 LYS C C 177.490 0.300 1 332 38 38 LYS CA C 57.877 0.300 1 333 38 38 LYS CB C 31.573 0.300 1 334 38 38 LYS CD C 28.619 0.300 1 335 38 38 LYS CE C 41.949 0.300 1 336 38 38 LYS CG C 23.867 0.300 1 337 38 38 LYS N N 119.595 0.300 1 338 39 39 TYR H H 7.658 0.030 1 339 39 39 TYR HA H 4.438 0.030 1 340 39 39 TYR HB2 H 3.326 0.030 2 341 39 39 TYR HB3 H 3.033 0.030 2 342 39 39 TYR HD1 H 7.411 0.030 1 343 39 39 TYR HD2 H 7.411 0.030 1 344 39 39 TYR HE1 H 6.513 0.030 1 345 39 39 TYR HE2 H 6.513 0.030 1 346 39 39 TYR C C 174.579 0.300 1 347 39 39 TYR CA C 59.024 0.300 1 348 39 39 TYR CB C 38.626 0.300 1 349 39 39 TYR CD1 C 132.951 0.300 1 350 39 39 TYR CD2 C 132.951 0.300 1 351 39 39 TYR CE1 C 118.036 0.300 1 352 39 39 TYR CE2 C 118.036 0.300 1 353 39 39 TYR N N 116.457 0.300 1 354 40 40 GLY H H 7.336 0.030 1 355 40 40 GLY HA2 H 4.884 0.030 2 356 40 40 GLY HA3 H 3.888 0.030 2 357 40 40 GLY C C 177.735 0.300 1 358 40 40 GLY CA C 44.652 0.300 1 359 40 40 GLY N N 106.600 0.300 1 360 41 41 PRO HA H 4.417 0.030 1 361 41 41 PRO HB2 H 2.243 0.030 2 362 41 41 PRO HB3 H 1.863 0.030 2 363 41 41 PRO HD2 H 3.881 0.030 2 364 41 41 PRO HD3 H 3.565 0.030 2 365 41 41 PRO HG2 H 2.184 0.030 2 366 41 41 PRO HG3 H 2.028 0.030 2 367 41 41 PRO C C 177.530 0.300 1 368 41 41 PRO CA C 63.226 0.300 1 369 41 41 PRO CB C 32.142 0.300 1 370 41 41 PRO CD C 49.497 0.300 1 371 41 41 PRO CG C 27.985 0.300 1 372 42 42 ILE H H 8.551 0.030 1 373 42 42 ILE HA H 3.978 0.030 1 374 42 42 ILE HB H 1.714 0.030 1 375 42 42 ILE HD1 H 0.165 0.030 1 376 42 42 ILE HG12 H 1.326 0.030 2 377 42 42 ILE HG13 H 0.899 0.030 2 378 42 42 ILE HG2 H 0.498 0.030 1 379 42 42 ILE C C 176.205 0.300 1 380 42 42 ILE CA C 59.031 0.300 1 381 42 42 ILE CB C 39.188 0.300 1 382 42 42 ILE CD1 C 12.119 0.300 1 383 42 42 ILE CG1 C 27.075 0.300 1 384 42 42 ILE CG2 C 18.244 0.300 1 385 42 42 ILE N N 124.580 0.300 1 386 43 43 ALA H H 9.109 0.030 1 387 43 43 ALA HA H 4.382 0.030 1 388 43 43 ALA HB H 1.166 0.030 1 389 43 43 ALA C C 177.402 0.300 1 390 43 43 ALA CA C 53.507 0.300 1 391 43 43 ALA CB C 19.803 0.300 1 392 43 43 ALA N N 131.361 0.300 1 393 44 44 ASP H H 7.711 0.030 1 394 44 44 ASP HA H 4.699 0.030 1 395 44 44 ASP HB2 H 2.573 0.030 2 396 44 44 ASP HB3 H 2.194 0.030 2 397 44 44 ASP C C 173.580 0.300 1 398 44 44 ASP CA C 54.168 0.300 1 399 44 44 ASP CB C 43.980 0.300 1 400 44 44 ASP N N 114.373 0.300 1 401 45 45 VAL H H 8.241 0.030 1 402 45 45 VAL HA H 4.706 0.030 1 403 45 45 VAL HB H 1.916 0.030 1 404 45 45 VAL HG1 H 0.854 0.030 1 405 45 45 VAL HG2 H 0.860 0.030 1 406 45 45 VAL C C 173.888 0.300 1 407 45 45 VAL CA C 61.649 0.300 1 408 45 45 VAL CB C 35.472 0.300 1 409 45 45 VAL CG1 C 22.483 0.300 2 410 45 45 VAL CG2 C 22.105 0.300 2 411 45 45 VAL N N 120.476 0.300 1 412 46 46 SER H H 9.037 0.030 1 413 46 46 SER HA H 5.008 0.030 1 414 46 46 SER HB2 H 3.921 0.030 2 415 46 46 SER HB3 H 3.790 0.030 2 416 46 46 SER C C 174.219 0.300 1 417 46 46 SER CA C 56.556 0.300 1 418 46 46 SER CB C 65.461 0.300 1 419 46 46 SER N N 120.938 0.300 1 420 47 47 ILE H H 8.928 0.030 1 421 47 47 ILE HA H 3.807 0.030 1 422 47 47 ILE HB H 1.515 0.030 1 423 47 47 ILE HD1 H 0.571 0.030 1 424 47 47 ILE HG12 H 1.339 0.030 2 425 47 47 ILE HG13 H 0.645 0.030 2 426 47 47 ILE HG2 H 0.142 0.030 1 427 47 47 ILE C C 174.512 0.300 1 428 47 47 ILE CA C 61.271 0.300 1 429 47 47 ILE CB C 38.569 0.300 1 430 47 47 ILE CD1 C 13.105 0.300 1 431 47 47 ILE CG1 C 29.975 0.300 1 432 47 47 ILE CG2 C 16.299 0.300 1 433 47 47 ILE N N 128.275 0.300 1 434 48 48 VAL H H 7.523 0.030 1 435 48 48 VAL HA H 3.771 0.030 1 436 48 48 VAL HB H 0.688 0.030 1 437 48 48 VAL HG1 H 0.688 0.030 1 438 48 48 VAL HG2 H 0.575 0.030 1 439 48 48 VAL C C 173.820 0.300 1 440 48 48 VAL CA C 63.003 0.300 1 441 48 48 VAL CB C 30.536 0.300 1 442 48 48 VAL CG1 C 21.743 0.300 2 443 48 48 VAL CG2 C 21.785 0.300 2 444 48 48 VAL N N 127.261 0.300 1 445 49 49 TYR H H 8.355 0.030 1 446 49 49 TYR HA H 4.697 0.030 1 447 49 49 TYR HB2 H 2.585 0.030 2 448 49 49 TYR HB3 H 2.522 0.030 2 449 49 49 TYR HD1 H 6.859 0.030 1 450 49 49 TYR HD2 H 6.859 0.030 1 451 49 49 TYR HE1 H 6.747 0.030 1 452 49 49 TYR HE2 H 6.747 0.030 1 453 49 49 TYR C C 176.489 0.300 1 454 49 49 TYR CA C 57.285 0.300 1 455 49 49 TYR CB C 41.001 0.300 1 456 49 49 TYR CD1 C 133.288 0.300 1 457 49 49 TYR CD2 C 133.288 0.300 1 458 49 49 TYR CE1 C 117.846 0.300 1 459 49 49 TYR CE2 C 117.846 0.300 1 460 49 49 TYR N N 125.493 0.300 1 461 50 50 ASP H H 8.856 0.030 1 462 50 50 ASP HA H 4.551 0.030 1 463 50 50 ASP HB2 H 2.516 0.030 1 464 50 50 ASP HB3 H 2.516 0.030 1 465 50 50 ASP C C 177.267 0.300 1 466 50 50 ASP CA C 54.109 0.300 1 467 50 50 ASP CB C 42.438 0.300 1 468 50 50 ASP N N 122.932 0.300 1 469 51 51 GLN H H 9.026 0.030 1 470 51 51 GLN HA H 4.007 0.030 1 471 51 51 GLN HB2 H 2.162 0.030 2 472 51 51 GLN HB3 H 2.104 0.030 2 473 51 51 GLN HG2 H 2.483 0.030 2 474 51 51 GLN HG3 H 2.450 0.030 2 475 51 51 GLN C C 176.773 0.300 1 476 51 51 GLN CA C 58.471 0.300 1 477 51 51 GLN CB C 28.691 0.300 1 478 51 51 GLN CG C 34.042 0.300 1 479 51 51 GLN N N 126.005 0.300 1 480 52 52 GLN H H 8.482 0.030 1 481 52 52 GLN HA H 4.279 0.030 1 482 52 52 GLN HB2 H 2.168 0.030 1 483 52 52 GLN HB3 H 2.168 0.030 1 484 52 52 GLN HG2 H 2.410 0.030 2 485 52 52 GLN HG3 H 2.364 0.030 2 486 52 52 GLN C C 177.111 0.300 1 487 52 52 GLN CA C 57.951 0.300 1 488 52 52 GLN CB C 29.033 0.300 1 489 52 52 GLN CG C 34.284 0.300 1 490 52 52 GLN N N 117.072 0.300 1 491 53 53 SER H H 8.343 0.030 1 492 53 53 SER HA H 4.370 0.030 1 493 53 53 SER HB2 H 3.952 0.030 2 494 53 53 SER HB3 H 3.837 0.030 2 495 53 53 SER C C 175.084 0.300 1 496 53 53 SER CA C 58.831 0.300 1 497 53 53 SER CB C 64.774 0.300 1 498 53 53 SER N N 113.478 0.300 1 499 54 54 ARG H H 8.066 0.030 1 500 54 54 ARG HA H 3.924 0.030 1 501 54 54 ARG HB2 H 2.070 0.030 2 502 54 54 ARG HB3 H 1.960 0.030 2 503 54 54 ARG HD2 H 3.108 0.030 2 504 54 54 ARG HD3 H 3.062 0.030 2 505 54 54 ARG HG2 H 1.531 0.030 2 506 54 54 ARG HG3 H 1.453 0.030 2 507 54 54 ARG C C 174.866 0.300 1 508 54 54 ARG CA C 57.292 0.300 1 509 54 54 ARG CB C 26.780 0.300 1 510 54 54 ARG CD C 42.824 0.300 1 511 54 54 ARG CG C 27.055 0.300 1 512 54 54 ARG N N 116.627 0.300 1 513 55 55 ARG H H 7.749 0.030 1 514 55 55 ARG HA H 4.534 0.030 1 515 55 55 ARG HB2 H 1.847 0.030 2 516 55 55 ARG HB3 H 1.675 0.030 2 517 55 55 ARG HD2 H 3.196 0.030 2 518 55 55 ARG HD3 H 3.164 0.030 2 519 55 55 ARG HG2 H 1.671 0.030 1 520 55 55 ARG HG3 H 1.671 0.030 1 521 55 55 ARG C C 176.212 0.300 1 522 55 55 ARG CA C 55.212 0.300 1 523 55 55 ARG CB C 32.250 0.300 1 524 55 55 ARG CD C 43.478 0.300 1 525 55 55 ARG CG C 27.275 0.300 1 526 55 55 ARG N N 117.928 0.300 1 527 56 56 SER H H 8.865 0.030 1 528 56 56 SER HA H 3.874 0.030 1 529 56 56 SER HB2 H 3.876 0.030 2 530 56 56 SER HB3 H 3.749 0.030 2 531 56 56 SER C C 175.579 0.300 1 532 56 56 SER CA C 58.203 0.300 1 533 56 56 SER CB C 64.166 0.300 1 534 56 56 SER N N 117.317 0.300 1 535 57 57 ARG H H 8.922 0.030 1 536 57 57 ARG HA H 4.351 0.030 1 537 57 57 ARG HB2 H 2.194 0.030 2 538 57 57 ARG HB3 H 1.210 0.030 2 539 57 57 ARG HD2 H 3.197 0.030 2 540 57 57 ARG HD3 H 3.055 0.030 2 541 57 57 ARG HG2 H 1.612 0.030 1 542 57 57 ARG HG3 H 1.612 0.030 1 543 57 57 ARG C C 177.894 0.300 1 544 57 57 ARG CA C 56.381 0.300 1 545 57 57 ARG CB C 30.552 0.300 1 546 57 57 ARG CD C 43.468 0.300 1 547 57 57 ARG CG C 28.066 0.300 1 548 57 57 ARG N N 122.565 0.300 1 549 58 58 GLY H H 9.163 0.030 1 550 58 58 GLY HA2 H 4.069 0.030 2 551 58 58 GLY HA3 H 3.190 0.030 2 552 58 58 GLY C C 171.690 0.300 1 553 58 58 GLY CA C 46.000 0.300 1 554 58 58 GLY N N 107.701 0.300 1 555 59 59 PHE H H 6.979 0.030 1 556 59 59 PHE HA H 5.189 0.030 1 557 59 59 PHE HB2 H 3.172 0.030 2 558 59 59 PHE HB3 H 2.534 0.030 2 559 59 59 PHE HD1 H 6.662 0.030 1 560 59 59 PHE HD2 H 6.662 0.030 1 561 59 59 PHE HE1 H 7.182 0.030 1 562 59 59 PHE HE2 H 7.182 0.030 1 563 59 59 PHE HZ H 7.248 0.030 1 564 59 59 PHE C C 171.696 0.300 1 565 59 59 PHE CA C 54.846 0.300 1 566 59 59 PHE CB C 41.855 0.300 1 567 59 59 PHE CD1 C 132.711 0.300 1 568 59 59 PHE CD2 C 132.711 0.300 1 569 59 59 PHE CE1 C 131.149 0.300 1 570 59 59 PHE CE2 C 131.149 0.300 1 571 59 59 PHE CZ C 129.450 0.300 1 572 59 59 PHE N N 112.713 0.300 1 573 60 60 ALA H H 8.511 0.030 1 574 60 60 ALA HA H 4.657 0.030 1 575 60 60 ALA HB H 0.805 0.030 1 576 60 60 ALA C C 173.445 0.300 1 577 60 60 ALA CA C 49.754 0.300 1 578 60 60 ALA CB C 26.178 0.300 1 579 60 60 ALA N N 119.981 0.300 1 580 61 61 PHE H H 8.380 0.030 1 581 61 61 PHE HA H 5.228 0.030 1 582 61 61 PHE HB2 H 2.518 0.030 1 583 61 61 PHE HB3 H 2.518 0.030 1 584 61 61 PHE HD1 H 6.983 0.030 1 585 61 61 PHE HD2 H 6.983 0.030 1 586 61 61 PHE C C 174.466 0.300 1 587 61 61 PHE CA C 56.443 0.300 1 588 61 61 PHE CB C 42.518 0.300 1 589 61 61 PHE CD1 C 131.825 0.300 1 590 61 61 PHE CD2 C 131.825 0.300 1 591 61 61 PHE N N 115.591 0.300 1 592 62 62 VAL H H 8.930 0.030 1 593 62 62 VAL HA H 4.183 0.030 1 594 62 62 VAL HB H 1.397 0.030 1 595 62 62 VAL HG1 H 0.280 0.030 1 596 62 62 VAL HG2 H 0.229 0.030 1 597 62 62 VAL C C 173.186 0.300 1 598 62 62 VAL CA C 61.173 0.300 1 599 62 62 VAL CB C 34.252 0.300 1 600 62 62 VAL CG1 C 20.703 0.300 2 601 62 62 VAL CG2 C 21.454 0.300 2 602 62 62 VAL N N 122.963 0.300 1 603 63 63 TYR H H 8.795 0.030 1 604 63 63 TYR HA H 5.044 0.030 1 605 63 63 TYR HB2 H 2.831 0.030 2 606 63 63 TYR HB3 H 2.749 0.030 2 607 63 63 TYR HD1 H 6.882 0.030 1 608 63 63 TYR HD2 H 6.882 0.030 1 609 63 63 TYR HE1 H 6.578 0.030 1 610 63 63 TYR HE2 H 6.578 0.030 1 611 63 63 TYR C C 175.947 0.300 1 612 63 63 TYR CA C 56.568 0.300 1 613 63 63 TYR CB C 39.042 0.300 1 614 63 63 TYR CD1 C 133.004 0.300 1 615 63 63 TYR CD2 C 133.004 0.300 1 616 63 63 TYR CE1 C 118.558 0.300 1 617 63 63 TYR CE2 C 118.558 0.300 1 618 63 63 TYR N N 124.344 0.300 1 619 64 64 PHE H H 8.932 0.030 1 620 64 64 PHE HA H 4.558 0.030 1 621 64 64 PHE HB2 H 2.778 0.030 1 622 64 64 PHE HB3 H 2.778 0.030 1 623 64 64 PHE HD1 H 7.289 0.030 1 624 64 64 PHE HD2 H 7.289 0.030 1 625 64 64 PHE HE1 H 7.147 0.030 1 626 64 64 PHE HE2 H 7.147 0.030 1 627 64 64 PHE HZ H 7.385 0.030 1 628 64 64 PHE C C 175.567 0.300 1 629 64 64 PHE CA C 59.076 0.300 1 630 64 64 PHE CB C 40.390 0.300 1 631 64 64 PHE CD1 C 131.450 0.300 1 632 64 64 PHE CD2 C 131.450 0.300 1 633 64 64 PHE CE1 C 131.397 0.300 1 634 64 64 PHE CE2 C 131.397 0.300 1 635 64 64 PHE CZ C 129.166 0.300 1 636 64 64 PHE N N 124.505 0.300 1 637 65 65 GLU H H 7.960 0.030 1 638 65 65 GLU HA H 4.220 0.030 1 639 65 65 GLU HB2 H 2.119 0.030 2 640 65 65 GLU HB3 H 1.946 0.030 2 641 65 65 GLU HG2 H 2.130 0.030 1 642 65 65 GLU HG3 H 2.130 0.030 1 643 65 65 GLU C C 176.908 0.300 1 644 65 65 GLU CA C 59.286 0.300 1 645 65 65 GLU CB C 30.479 0.300 1 646 65 65 GLU CG C 36.666 0.300 1 647 65 65 GLU N N 117.920 0.300 1 648 66 66 ASN H H 9.172 0.030 1 649 66 66 ASN HA H 5.138 0.030 1 650 66 66 ASN HB2 H 2.960 0.030 2 651 66 66 ASN HB3 H 2.764 0.030 2 652 66 66 ASN HD21 H 7.628 0.030 2 653 66 66 ASN HD22 H 7.261 0.030 2 654 66 66 ASN C C 175.822 0.300 1 655 66 66 ASN CA C 51.906 0.300 1 656 66 66 ASN CB C 40.923 0.300 1 657 66 66 ASN N N 116.139 0.300 1 658 66 66 ASN ND2 N 114.828 0.300 1 659 67 67 VAL H H 8.781 0.030 1 660 67 67 VAL HA H 3.691 0.030 1 661 67 67 VAL HB H 2.010 0.030 1 662 67 67 VAL HG1 H 0.952 0.030 1 663 67 67 VAL HG2 H 0.926 0.030 1 664 67 67 VAL C C 176.984 0.300 1 665 67 67 VAL CA C 65.669 0.300 1 666 67 67 VAL CB C 31.965 0.300 1 667 67 67 VAL CG1 C 22.593 0.300 2 668 67 67 VAL CG2 C 20.678 0.300 2 669 67 67 VAL N N 125.560 0.300 1 670 68 68 ASP H H 8.426 0.030 1 671 68 68 ASP HA H 4.341 0.030 1 672 68 68 ASP HB2 H 2.682 0.030 2 673 68 68 ASP HB3 H 2.571 0.030 2 674 68 68 ASP C C 178.657 0.300 1 675 68 68 ASP CA C 57.533 0.300 1 676 68 68 ASP CB C 39.959 0.300 1 677 68 68 ASP N N 120.512 0.300 1 678 69 69 ASP H H 7.241 0.030 1 679 69 69 ASP HA H 4.357 0.030 1 680 69 69 ASP HB2 H 2.930 0.030 2 681 69 69 ASP HB3 H 2.570 0.030 2 682 69 69 ASP C C 176.590 0.300 1 683 69 69 ASP CA C 56.562 0.300 1 684 69 69 ASP CB C 40.038 0.300 1 685 69 69 ASP N N 122.123 0.300 1 686 70 70 ALA H H 6.878 0.030 1 687 70 70 ALA HA H 2.871 0.030 1 688 70 70 ALA HB H 1.295 0.030 1 689 70 70 ALA C C 179.021 0.300 1 690 70 70 ALA CA C 54.477 0.300 1 691 70 70 ALA CB C 18.046 0.300 1 692 70 70 ALA N N 121.112 0.300 1 693 71 71 LYS H H 7.799 0.030 1 694 71 71 LYS HA H 3.761 0.030 1 695 71 71 LYS HB2 H 1.882 0.030 1 696 71 71 LYS HB3 H 1.882 0.030 1 697 71 71 LYS HD2 H 1.681 0.030 2 698 71 71 LYS HD3 H 1.558 0.030 2 699 71 71 LYS HG2 H 1.580 0.030 2 700 71 71 LYS HG3 H 1.352 0.030 2 701 71 71 LYS C C 178.827 0.300 1 702 71 71 LYS CA C 59.982 0.300 1 703 71 71 LYS CB C 32.458 0.300 1 704 71 71 LYS CD C 29.616 0.300 1 705 71 71 LYS CE C 42.117 0.300 1 706 71 71 LYS CG C 25.358 0.300 1 707 71 71 LYS N N 116.932 0.300 1 708 72 72 GLU H H 7.330 0.030 1 709 72 72 GLU HA H 4.046 0.030 1 710 72 72 GLU HB2 H 2.160 0.030 2 711 72 72 GLU HB3 H 2.074 0.030 2 712 72 72 GLU HG2 H 2.493 0.030 2 713 72 72 GLU HG3 H 2.282 0.030 2 714 72 72 GLU C C 177.935 0.300 1 715 72 72 GLU CA C 58.819 0.300 1 716 72 72 GLU CB C 29.403 0.300 1 717 72 72 GLU CG C 35.423 0.300 1 718 72 72 GLU N N 120.060 0.300 1 719 73 73 ALA H H 7.950 0.030 1 720 73 73 ALA HA H 2.502 0.030 1 721 73 73 ALA HB H 1.073 0.030 1 722 73 73 ALA C C 178.917 0.300 1 723 73 73 ALA CA C 54.634 0.300 1 724 73 73 ALA CB C 20.566 0.300 1 725 73 73 ALA N N 120.591 0.300 1 726 74 74 LYS H H 8.008 0.030 1 727 74 74 LYS HA H 3.667 0.030 1 728 74 74 LYS HB2 H 1.870 0.030 2 729 74 74 LYS HB3 H 1.830 0.030 2 730 74 74 LYS HD2 H 1.681 0.030 2 731 74 74 LYS HD3 H 1.566 0.030 2 732 74 74 LYS HE2 H 2.926 0.030 1 733 74 74 LYS HE3 H 2.926 0.030 1 734 74 74 LYS HG2 H 1.339 0.030 1 735 74 74 LYS HG3 H 1.339 0.030 1 736 74 74 LYS C C 177.893 0.300 1 737 74 74 LYS CA C 59.883 0.300 1 738 74 74 LYS CB C 31.823 0.300 1 739 74 74 LYS CD C 29.615 0.300 1 740 74 74 LYS CE C 42.074 0.300 1 741 74 74 LYS CG C 24.724 0.300 1 742 74 74 LYS N N 116.682 0.300 1 743 75 75 GLU H H 7.304 0.030 1 744 75 75 GLU HA H 4.078 0.030 1 745 75 75 GLU HB2 H 2.061 0.030 1 746 75 75 GLU HB3 H 2.061 0.030 1 747 75 75 GLU HG2 H 2.363 0.030 2 748 75 75 GLU HG3 H 2.303 0.030 2 749 75 75 GLU C C 179.044 0.300 1 750 75 75 GLU CA C 58.260 0.300 1 751 75 75 GLU CB C 30.034 0.300 1 752 75 75 GLU CG C 35.965 0.300 1 753 75 75 GLU N N 115.457 0.300 1 754 76 76 ARG H H 8.107 0.030 1 755 76 76 ARG HA H 4.279 0.030 1 756 76 76 ARG HB2 H 2.002 0.030 2 757 76 76 ARG HB3 H 1.642 0.030 2 758 76 76 ARG HD2 H 3.231 0.030 1 759 76 76 ARG HD3 H 3.231 0.030 1 760 76 76 ARG HG2 H 1.839 0.030 2 761 76 76 ARG HG3 H 1.783 0.030 2 762 76 76 ARG C C 178.027 0.300 1 763 76 76 ARG CA C 57.308 0.300 1 764 76 76 ARG CB C 31.512 0.300 1 765 76 76 ARG CD C 43.349 0.300 1 766 76 76 ARG CG C 27.215 0.300 1 767 76 76 ARG N N 115.464 0.300 1 768 77 77 ALA H H 8.714 0.030 1 769 77 77 ALA HA H 4.389 0.030 1 770 77 77 ALA HB H 1.354 0.030 1 771 77 77 ALA C C 177.567 0.300 1 772 77 77 ALA CA C 52.800 0.300 1 773 77 77 ALA CB C 20.285 0.300 1 774 77 77 ALA N N 119.280 0.300 1 775 78 78 ASN H H 6.851 0.030 1 776 78 78 ASN HA H 4.348 0.030 1 777 78 78 ASN HB2 H 3.152 0.030 2 778 78 78 ASN HB3 H 2.890 0.030 2 779 78 78 ASN HD21 H 7.807 0.030 2 780 78 78 ASN HD22 H 7.011 0.030 2 781 78 78 ASN C C 176.406 0.300 1 782 78 78 ASN CA C 55.988 0.300 1 783 78 78 ASN CB C 38.626 0.300 1 784 78 78 ASN N N 113.688 0.300 1 785 78 78 ASN ND2 N 114.330 0.300 1 786 79 79 GLY H H 8.561 0.030 1 787 79 79 GLY HA2 H 4.242 0.030 2 788 79 79 GLY HA3 H 3.722 0.030 2 789 79 79 GLY C C 173.744 0.300 1 790 79 79 GLY CA C 45.807 0.300 1 791 79 79 GLY N N 116.583 0.300 1 792 80 80 MET H H 7.812 0.030 1 793 80 80 MET HA H 4.258 0.030 1 794 80 80 MET HB2 H 2.242 0.030 2 795 80 80 MET HB3 H 1.963 0.030 2 796 80 80 MET HE H 1.953 0.030 1 797 80 80 MET HG2 H 2.745 0.030 2 798 80 80 MET HG3 H 2.222 0.030 2 799 80 80 MET C C 173.440 0.300 1 800 80 80 MET CA C 56.232 0.300 1 801 80 80 MET CB C 33.294 0.300 1 802 80 80 MET CE C 16.900 0.300 1 803 80 80 MET CG C 31.375 0.300 1 804 80 80 MET N N 120.088 0.300 1 805 81 81 GLU H H 8.386 0.030 1 806 81 81 GLU HA H 4.889 0.030 1 807 81 81 GLU HB2 H 1.878 0.030 2 808 81 81 GLU HB3 H 1.747 0.030 2 809 81 81 GLU HG2 H 1.992 0.030 2 810 81 81 GLU HG3 H 1.883 0.030 2 811 81 81 GLU C C 175.516 0.300 1 812 81 81 GLU CA C 55.306 0.300 1 813 81 81 GLU CB C 30.898 0.300 1 814 81 81 GLU CG C 37.048 0.300 1 815 81 81 GLU N N 121.872 0.300 1 816 82 82 LEU H H 9.144 0.030 1 817 82 82 LEU HA H 4.561 0.030 1 818 82 82 LEU HB2 H 1.758 0.030 2 819 82 82 LEU HB3 H 1.214 0.030 2 820 82 82 LEU HD1 H 0.814 0.030 1 821 82 82 LEU HD2 H 0.894 0.030 1 822 82 82 LEU HG H 1.466 0.030 1 823 82 82 LEU C C 176.451 0.300 1 824 82 82 LEU CA C 54.640 0.300 1 825 82 82 LEU CB C 44.943 0.300 1 826 82 82 LEU CD1 C 26.090 0.300 2 827 82 82 LEU CD2 C 24.453 0.300 2 828 82 82 LEU CG C 27.797 0.300 1 829 82 82 LEU N N 127.885 0.300 1 830 83 83 ASP H H 9.632 0.030 1 831 83 83 ASP HA H 4.295 0.030 1 832 83 83 ASP HB2 H 3.001 0.030 2 833 83 83 ASP HB3 H 2.386 0.030 2 834 83 83 ASP C C 175.812 0.300 1 835 83 83 ASP CA C 55.558 0.300 1 836 83 83 ASP CB C 40.065 0.300 1 837 83 83 ASP N N 129.926 0.300 1 838 84 84 GLY H H 8.663 0.030 1 839 84 84 GLY HA2 H 4.095 0.030 2 840 84 84 GLY HA3 H 3.659 0.030 2 841 84 84 GLY C C 173.964 0.300 1 842 84 84 GLY CA C 45.604 0.300 1 843 84 84 GLY N N 102.230 0.300 1 844 85 85 ARG H H 7.558 0.030 1 845 85 85 ARG HA H 4.667 0.030 1 846 85 85 ARG HB2 H 2.000 0.030 2 847 85 85 ARG HB3 H 1.792 0.030 2 848 85 85 ARG HD2 H 3.208 0.030 1 849 85 85 ARG HD3 H 3.208 0.030 1 850 85 85 ARG HG2 H 1.697 0.030 2 851 85 85 ARG HG3 H 1.575 0.030 2 852 85 85 ARG C C 174.481 0.300 1 853 85 85 ARG CA C 53.238 0.300 1 854 85 85 ARG CB C 32.370 0.300 1 855 85 85 ARG CD C 42.620 0.300 1 856 85 85 ARG CG C 26.340 0.300 1 857 85 85 ARG N N 119.444 0.300 1 858 86 86 ARG H H 8.503 0.030 1 859 86 86 ARG HA H 4.709 0.030 1 860 86 86 ARG HB2 H 1.763 0.030 2 861 86 86 ARG HB3 H 1.545 0.030 2 862 86 86 ARG HD2 H 3.131 0.030 1 863 86 86 ARG HD3 H 3.131 0.030 1 864 86 86 ARG HG2 H 1.663 0.030 2 865 86 86 ARG HG3 H 1.451 0.030 2 866 86 86 ARG C C 176.833 0.300 1 867 86 86 ARG CA C 55.072 0.300 1 868 86 86 ARG CB C 29.502 0.300 1 869 86 86 ARG CD C 43.246 0.300 1 870 86 86 ARG CG C 27.316 0.300 1 871 86 86 ARG N N 121.298 0.300 1 872 87 87 ILE H H 8.501 0.030 1 873 87 87 ILE HA H 4.615 0.030 1 874 87 87 ILE HB H 1.967 0.030 1 875 87 87 ILE HD1 H 0.785 0.030 1 876 87 87 ILE HG12 H 1.521 0.030 2 877 87 87 ILE HG13 H 1.409 0.030 2 878 87 87 ILE HG2 H 0.878 0.030 1 879 87 87 ILE C C 175.155 0.300 1 880 87 87 ILE CA C 60.966 0.300 1 881 87 87 ILE CB C 39.433 0.300 1 882 87 87 ILE CD1 C 13.644 0.300 1 883 87 87 ILE CG1 C 25.610 0.300 1 884 87 87 ILE CG2 C 18.862 0.300 1 885 87 87 ILE N N 122.213 0.300 1 886 88 88 ARG H H 8.550 0.030 1 887 88 88 ARG HA H 5.099 0.030 1 888 88 88 ARG HB2 H 1.848 0.030 2 889 88 88 ARG HB3 H 1.720 0.030 2 890 88 88 ARG HD2 H 3.206 0.030 1 891 88 88 ARG HD3 H 3.206 0.030 1 892 88 88 ARG HG2 H 1.703 0.030 2 893 88 88 ARG HG3 H 1.494 0.030 2 894 88 88 ARG C C 174.885 0.300 1 895 88 88 ARG CA C 54.191 0.300 1 896 88 88 ARG CB C 32.890 0.300 1 897 88 88 ARG CD C 43.295 0.300 1 898 88 88 ARG CG C 27.589 0.300 1 899 88 88 ARG N N 123.177 0.300 1 900 89 89 VAL H H 8.609 0.030 1 901 89 89 VAL HA H 5.446 0.030 1 902 89 89 VAL HB H 1.947 0.030 1 903 89 89 VAL HG1 H 1.037 0.030 1 904 89 89 VAL HG2 H 1.048 0.030 1 905 89 89 VAL C C 175.136 0.300 1 906 89 89 VAL CA C 60.186 0.300 1 907 89 89 VAL CB C 34.313 0.300 1 908 89 89 VAL CG1 C 24.058 0.300 2 909 89 89 VAL CG2 C 21.866 0.300 2 910 89 89 VAL N N 123.118 0.300 1 911 90 90 SER H H 9.422 0.030 1 912 90 90 SER HB2 H 3.899 0.030 2 913 90 90 SER HB3 H 3.851 0.030 2 914 90 90 SER C C 173.842 0.300 1 915 90 90 SER CA C 56.770 0.300 1 916 90 90 SER CB C 66.010 0.300 1 917 90 90 SER N N 120.873 0.300 1 918 91 91 GLY HA2 H 4.652 0.030 2 919 91 91 GLY HA3 H 3.984 0.030 2 920 91 91 GLY CA C 44.637 0.300 1 921 92 92 PRO HA H 4.480 0.030 1 922 92 92 PRO HB2 H 2.250 0.030 2 923 92 92 PRO HB3 H 1.952 0.030 2 924 92 92 PRO HD2 H 3.752 0.030 2 925 92 92 PRO HD3 H 3.664 0.030 2 926 92 92 PRO HG2 H 1.959 0.030 1 927 92 92 PRO HG3 H 1.959 0.030 1 928 92 92 PRO CA C 63.605 0.300 1 929 92 92 PRO CB C 32.243 0.300 1 930 92 92 PRO CD C 49.817 0.300 1 931 92 92 PRO CG C 27.386 0.300 1 932 93 93 SER H H 8.420 0.030 1 933 93 93 SER CA C 58.075 0.300 1 934 93 93 SER CB C 64.151 0.300 1 935 93 93 SER N N 115.646 0.300 1 stop_ save_