data_11413 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Refinement of RNA binding domain in human Tra2 beta protein ; _BMRB_accession_number 11413 _BMRB_flat_file_name bmr11413.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 Tsuda K. . . 2 Kuwasako K. . . 3 Takahashi M. . . 4 Someya T. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Terada T. . . 8 Shirouzu M. . . 9 Sugano S. . . 10 Muto Y. . . 11 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" 560 "13C chemical shifts" 333 "15N chemical shifts" 96 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 'Refinement of RNA binding domain in human Tra2 beta protein' _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 Tsuda K. . . 2 Kuwasako K. . . 3 Someya T. . . 4 Takahashi M. . . 5 He F. . . 6 Inoue M. . . 7 Harada T. . . 8 Watanabe S. . . 9 Terada T. . . 10 Kobayashi N. . . 11 Shirouzu M. . . 12 Kigawa T. . . 13 Tanaka A. . . 14 Sugano S. . . 15 Guntert P. . . 16 Yokoyama S. . . 17 Muto Y. . . 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 ; cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene ; _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 96 _Mol_residue_sequence ; GPLGSRANPDPNCCLGVFGL SLYTTERDLREVFSKYGPIA DVSIVYDQQSRRSRGFAFVY FENVDDAKEAKERANGMELD GRRIRVDFSITKRPHT ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 ARG 7 ALA 8 ASN 9 PRO 10 ASP 11 PRO 12 ASN 13 CYS 14 CYS 15 LEU 16 GLY 17 VAL 18 PHE 19 GLY 20 LEU 21 SER 22 LEU 23 TYR 24 THR 25 THR 26 GLU 27 ARG 28 ASP 29 LEU 30 ARG 31 GLU 32 VAL 33 PHE 34 SER 35 LYS 36 TYR 37 GLY 38 PRO 39 ILE 40 ALA 41 ASP 42 VAL 43 SER 44 ILE 45 VAL 46 TYR 47 ASP 48 GLN 49 GLN 50 SER 51 ARG 52 ARG 53 SER 54 ARG 55 GLY 56 PHE 57 ALA 58 PHE 59 VAL 60 TYR 61 PHE 62 GLU 63 ASN 64 VAL 65 ASP 66 ASP 67 ALA 68 LYS 69 GLU 70 ALA 71 LYS 72 GLU 73 ARG 74 ALA 75 ASN 76 GLY 77 MET 78 GLU 79 LEU 80 ASP 81 GLY 82 ARG 83 ARG 84 ILE 85 ARG 86 VAL 87 ASP 88 PHE 89 SER 90 ILE 91 THR 92 LYS 93 ARG 94 PRO 95 HIS 96 THR 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 16920 Tra2beta1 96.88 95 97.85 100.00 1.02e-59 PDB 2KXN "Nmr Structure Of Human Tra2beta1 Rrm In Complex With Aagaac Rna" 96.88 129 97.85 100.00 1.54e-60 PDB 2RRB "Refinement Of Rna Binding Domain In Human Tra2 Beta Protein" 100.00 96 100.00 100.00 2.34e-63 DBJ BAA08556 "RNA binding protein (transformer-2-like) [Rattus norvegicus]" 97.92 288 97.87 100.00 4.47e-60 DBJ BAC05256 "unnamed protein product [Homo sapiens]" 97.92 252 97.87 100.00 1.16e-59 DBJ BAC33819 "unnamed protein product [Mus musculus]" 97.92 288 97.87 100.00 4.47e-60 DBJ BAD92445 "splicing factor, arginine/serine-rich 10 (transformer 2 homolog, Drosophila) variant [Homo sapiens]" 97.92 278 97.87 100.00 6.76e-60 DBJ BAE88784 "unnamed protein product [Macaca fascicularis]" 97.92 288 97.87 100.00 6.89e-60 EMBL CAA56518 "SIG41 [Mus musculus]" 97.92 288 97.87 100.00 4.47e-60 EMBL CAH18071 "hypothetical protein [Homo sapiens]" 97.92 276 97.87 100.00 4.52e-60 GB AAB08701 "transformer-2 beta [Homo sapiens]" 97.92 288 97.87 100.00 4.47e-60 GB AAC28242 "htra2-beta [Homo sapiens]" 97.92 288 97.87 100.00 4.47e-60 GB AAD19277 "transformer-2-beta isoform 1 [Homo sapiens]" 97.92 288 97.87 100.00 4.47e-60 GB AAD19278 "transformer-2-beta isoform 3 [Homo sapiens]" 97.92 188 97.87 100.00 2.83e-59 GB AAH00160 "Transformer 2 beta homolog (Drosophila) [Homo sapiens]" 97.92 288 97.87 100.00 4.47e-60 REF NP_001029948 "transformer-2 protein homolog beta [Bos taurus]" 97.92 288 97.87 100.00 4.47e-60 REF NP_001070689 "transformer-2 protein homolog beta [Sus scrofa]" 97.92 288 97.87 100.00 4.47e-60 REF NP_001230808 "transformer-2 protein homolog beta isoform 2 [Homo sapiens]" 97.92 188 97.87 100.00 2.83e-59 REF NP_001248265 "transformer-2 protein homolog beta [Macaca mulatta]" 97.92 288 97.87 100.00 4.47e-60 REF NP_001271939 "uncharacterized protein LOC101864908 [Macaca fascicularis]" 97.92 288 97.87 100.00 6.89e-60 SP P62995 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; Short=hTRA2-beta; AltName: Full=Splicing f" 97.92 288 97.87 100.00 4.47e-60 SP P62996 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Silica-induced gene 41 prote" 97.92 288 97.87 100.00 4.47e-60 SP P62997 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=RA301; AltName: Full=Splicin" 97.92 288 97.87 100.00 4.47e-60 SP Q3ZBT6 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Splicing factor, arginine/se" 97.92 288 97.87 100.00 4.47e-60 TPG DAA33375 "TPA: transformer-2 protein homolog beta [Bos taurus]" 97.92 288 97.87 100.00 4.47e-60 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_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM {[U-100%} {13C;} U-100% 15N\] Human transformer 2 beta-1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.6 loop_ _Vendor _Address _Electronic_address 'Bruker, Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060801 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and, Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One, Moon, Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9843 loop_ _Vendor _Address _Electronic_address 'N. Kobayashi' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler, and, Wuthrich' . . stop_ loop_ _Task '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_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 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 $AMBER $xwinnmr $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C 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 2 2 PRO HA H 4.462 0.030 1 2 2 2 PRO HB2 H 2.297 0.030 2 3 2 2 PRO HB3 H 1.928 0.030 2 4 2 2 PRO CA C 63.156 0.300 1 5 2 2 PRO CB C 32.339 0.300 1 6 2 2 PRO CD C 49.592 0.300 1 7 2 2 PRO CG C 26.913 0.300 1 8 3 3 LEU H H 8.530 0.030 1 9 3 3 LEU HA H 4.328 0.030 1 10 3 3 LEU HB2 H 1.668 0.030 2 11 3 3 LEU HB3 H 1.583 0.030 2 12 3 3 LEU HD1 H 0.916 0.030 1 13 3 3 LEU HD2 H 0.872 0.030 1 14 3 3 LEU HG H 1.652 0.030 1 15 3 3 LEU CA C 55.588 0.300 1 16 3 3 LEU CB C 42.281 0.300 1 17 3 3 LEU CD1 C 24.875 0.300 2 18 3 3 LEU CD2 C 23.573 0.300 2 19 3 3 LEU CG C 27.011 0.300 1 20 3 3 LEU N N 122.439 0.300 1 21 4 4 GLY H H 8.421 0.030 1 22 4 4 GLY HA2 H 3.992 0.030 2 23 4 4 GLY HA3 H 3.930 0.030 2 24 4 4 GLY CA C 45.330 0.300 1 25 4 4 GLY N N 109.908 0.300 1 26 5 5 SER H H 8.187 0.030 1 27 5 5 SER HA H 4.411 0.030 1 28 5 5 SER HB2 H 3.866 0.030 2 29 5 5 SER HB3 H 3.826 0.030 2 30 5 5 SER CA C 58.505 0.300 1 31 5 5 SER CB C 63.984 0.300 1 32 5 5 SER N N 115.797 0.300 1 33 6 6 ARG H H 8.340 0.030 1 34 6 6 ARG HA H 4.309 0.030 1 35 6 6 ARG HB2 H 1.849 0.030 2 36 6 6 ARG HB3 H 1.730 0.030 2 37 6 6 ARG HD2 H 3.164 0.030 2 38 6 6 ARG HG2 H 1.590 0.030 2 39 6 6 ARG CA C 56.012 0.300 1 40 6 6 ARG CB C 30.671 0.300 1 41 6 6 ARG CD C 43.352 0.300 1 42 6 6 ARG CG C 26.771 0.300 1 43 6 6 ARG N N 122.575 0.300 1 44 7 7 ALA H H 8.183 0.030 1 45 7 7 ALA HA H 4.201 0.030 1 46 7 7 ALA HB H 1.301 0.030 1 47 7 7 ALA CA C 52.500 0.300 1 48 7 7 ALA CB C 19.330 0.300 1 49 7 7 ALA N N 124.450 0.300 1 50 8 8 ASN H H 8.320 0.030 1 51 8 8 ASN HA H 4.913 0.030 1 52 8 8 ASN HB2 H 2.838 0.030 2 53 8 8 ASN HB3 H 2.652 0.030 2 54 8 8 ASN HD21 H 7.616 0.030 2 55 8 8 ASN HD22 H 6.935 0.030 2 56 8 8 ASN CA C 51.205 0.300 1 57 8 8 ASN CB C 39.034 0.300 1 58 8 8 ASN N N 118.723 0.300 1 59 8 8 ASN ND2 N 113.211 0.300 1 60 9 9 PRO HA H 4.361 0.030 1 61 9 9 PRO HB2 H 2.025 0.030 2 62 9 9 PRO HB3 H 1.790 0.030 2 63 9 9 PRO HD2 H 3.676 0.030 2 64 9 9 PRO HD3 H 3.616 0.030 2 65 9 9 PRO HG2 H 1.799 0.030 1 66 9 9 PRO HG3 H 1.799 0.030 1 67 9 9 PRO CA C 62.955 0.300 1 68 9 9 PRO CB C 32.215 0.300 1 69 9 9 PRO CD C 50.534 0.300 1 70 9 9 PRO CG C 27.104 0.300 1 71 10 10 ASP H H 8.507 0.030 1 72 10 10 ASP HA H 4.806 0.030 1 73 10 10 ASP HB2 H 2.937 0.030 2 74 10 10 ASP HB3 H 2.597 0.030 2 75 10 10 ASP CA C 51.902 0.300 1 76 10 10 ASP CB C 41.955 0.300 1 77 10 10 ASP N N 123.246 0.300 1 78 11 11 PRO HA H 4.007 0.030 1 79 11 11 PRO HB2 H 2.222 0.030 2 80 11 11 PRO HB3 H 1.878 0.030 2 81 11 11 PRO HD2 H 3.977 0.030 2 82 11 11 PRO HD3 H 3.876 0.030 2 83 11 11 PRO HG2 H 1.982 0.030 1 84 11 11 PRO HG3 H 1.982 0.030 1 85 11 11 PRO CA C 64.239 0.300 1 86 11 11 PRO CB C 32.329 0.300 1 87 11 11 PRO CD C 51.063 0.300 1 88 11 11 PRO CG C 27.271 0.300 1 89 12 12 ASN H H 8.428 0.030 1 90 12 12 ASN HA H 4.596 0.030 1 91 12 12 ASN HB2 H 2.762 0.030 2 92 12 12 ASN HB3 H 2.707 0.030 2 93 12 12 ASN HD21 H 7.827 0.030 2 94 12 12 ASN HD22 H 6.841 0.030 2 95 12 12 ASN CA C 54.257 0.300 1 96 12 12 ASN CB C 38.695 0.300 1 97 12 12 ASN N N 116.541 0.300 1 98 12 12 ASN ND2 N 113.916 0.300 1 99 13 13 CYS H H 8.016 0.030 1 100 13 13 CYS HA H 4.394 0.030 1 101 13 13 CYS HB2 H 3.492 0.030 2 102 13 13 CYS HB3 H 3.127 0.030 2 103 13 13 CYS CA C 59.808 0.300 1 104 13 13 CYS CB C 28.715 0.300 1 105 13 13 CYS N N 114.786 0.300 1 106 14 14 CYS H H 7.756 0.030 1 107 14 14 CYS HA H 4.786 0.030 1 108 14 14 CYS HB2 H 3.013 0.030 2 109 14 14 CYS HB3 H 2.503 0.030 2 110 14 14 CYS CA C 57.517 0.300 1 111 14 14 CYS CB C 29.068 0.300 1 112 14 14 CYS N N 120.269 0.300 1 113 15 15 LEU H H 9.285 0.030 1 114 15 15 LEU HA H 4.912 0.030 1 115 15 15 LEU HB2 H 1.392 0.030 2 116 15 15 LEU HB3 H 1.120 0.030 2 117 15 15 LEU HD1 H 0.682 0.030 1 118 15 15 LEU HD2 H 0.341 0.030 1 119 15 15 LEU HG H 1.572 0.030 1 120 15 15 LEU CA C 52.762 0.300 1 121 15 15 LEU CB C 43.296 0.300 1 122 15 15 LEU CD1 C 26.489 0.300 2 123 15 15 LEU CD2 C 23.318 0.300 2 124 15 15 LEU CG C 26.603 0.300 1 125 15 15 LEU N N 128.524 0.300 1 126 16 16 GLY H H 9.150 0.030 1 127 16 16 GLY HA2 H 3.248 0.030 2 128 16 16 GLY HA3 H 4.402 0.030 2 129 16 16 GLY CA C 45.060 0.300 1 130 16 16 GLY N N 110.087 0.300 1 131 17 17 VAL H H 8.174 0.030 1 132 17 17 VAL HA H 4.622 0.030 1 133 17 17 VAL HB H 1.532 0.030 1 134 17 17 VAL HG1 H 0.852 0.030 1 135 17 17 VAL HG2 H 0.477 0.030 1 136 17 17 VAL CA C 60.739 0.300 1 137 17 17 VAL CB C 33.249 0.300 1 138 17 17 VAL CG1 C 23.031 0.300 2 139 17 17 VAL CG2 C 21.148 0.300 2 140 17 17 VAL N N 124.206 0.300 1 141 18 18 PHE H H 9.438 0.030 1 142 18 18 PHE HA H 4.996 0.030 1 143 18 18 PHE HB2 H 3.223 0.030 2 144 18 18 PHE HB3 H 2.726 0.030 2 145 18 18 PHE HD1 H 6.960 0.030 1 146 18 18 PHE HD2 H 6.960 0.030 1 147 18 18 PHE HE1 H 6.904 0.030 1 148 18 18 PHE HE2 H 6.904 0.030 1 149 18 18 PHE HZ H 7.135 0.030 1 150 18 18 PHE CA C 56.353 0.300 1 151 18 18 PHE CB C 42.306 0.300 1 152 18 18 PHE CD1 C 132.492 0.300 1 153 18 18 PHE CD2 C 132.492 0.300 1 154 18 18 PHE CE1 C 130.724 0.300 1 155 18 18 PHE CE2 C 130.724 0.300 1 156 18 18 PHE CZ C 129.245 0.300 1 157 18 18 PHE N N 122.973 0.300 1 158 19 19 GLY H H 8.677 0.030 1 159 19 19 GLY HA2 H 4.339 0.030 2 160 19 19 GLY HA3 H 3.849 0.030 2 161 19 19 GLY CA C 45.648 0.300 1 162 19 19 GLY N N 109.075 0.300 1 163 20 20 LEU H H 7.810 0.030 1 164 20 20 LEU HA H 4.207 0.030 1 165 20 20 LEU HB2 H 1.449 0.030 2 166 20 20 LEU HB3 H 1.160 0.030 2 167 20 20 LEU HD1 H 0.451 0.030 1 168 20 20 LEU HD2 H 0.813 0.030 1 169 20 20 LEU HG H 1.355 0.030 1 170 20 20 LEU CA C 54.102 0.300 1 171 20 20 LEU CB C 43.785 0.300 1 172 20 20 LEU CD1 C 26.387 0.300 2 173 20 20 LEU CD2 C 24.305 0.300 2 174 20 20 LEU CG C 26.866 0.300 1 175 20 20 LEU N N 116.291 0.300 1 176 21 21 SER H H 9.357 0.030 1 177 21 21 SER HA H 4.331 0.030 1 178 21 21 SER HB2 H 4.161 0.030 1 179 21 21 SER HB3 H 4.161 0.030 1 180 21 21 SER CA C 57.556 0.300 1 181 21 21 SER CB C 63.728 0.300 1 182 21 21 SER N N 115.462 0.300 1 183 22 22 LEU H H 8.891 0.030 1 184 22 22 LEU HA H 3.898 0.030 1 185 22 22 LEU HB2 H 1.303 0.030 1 186 22 22 LEU HB3 H 1.303 0.030 1 187 22 22 LEU HD1 H 0.707 0.030 1 188 22 22 LEU HD2 H 0.860 0.030 1 189 22 22 LEU HG H 1.658 0.030 1 190 22 22 LEU CA C 56.824 0.300 1 191 22 22 LEU CB C 40.318 0.300 1 192 22 22 LEU CD1 C 22.066 0.300 2 193 22 22 LEU CD2 C 24.955 0.300 2 194 22 22 LEU CG C 27.066 0.300 1 195 22 22 LEU N N 125.158 0.300 1 196 23 23 TYR H H 7.764 0.030 1 197 23 23 TYR HA H 4.558 0.030 1 198 23 23 TYR HB2 H 3.293 0.030 2 199 23 23 TYR HB3 H 2.746 0.030 2 200 23 23 TYR HD1 H 7.142 0.030 1 201 23 23 TYR HD2 H 7.142 0.030 1 202 23 23 TYR HE1 H 6.865 0.030 1 203 23 23 TYR HE2 H 6.865 0.030 1 204 23 23 TYR CA C 57.316 0.300 1 205 23 23 TYR CB C 38.547 0.300 1 206 23 23 TYR CD1 C 133.035 0.300 1 207 23 23 TYR CD2 C 133.035 0.300 1 208 23 23 TYR CE1 C 118.265 0.300 1 209 23 23 TYR CE2 C 118.265 0.300 1 210 23 23 TYR N N 114.791 0.300 1 211 24 24 THR H H 7.117 0.030 1 212 24 24 THR HA H 4.341 0.030 1 213 24 24 THR HB H 3.871 0.030 1 214 24 24 THR HG2 H 1.316 0.030 1 215 24 24 THR CA C 64.693 0.300 1 216 24 24 THR CB C 69.171 0.300 1 217 24 24 THR CG2 C 23.193 0.300 1 218 24 24 THR N N 119.450 0.300 1 219 25 25 THR H H 9.259 0.030 1 220 25 25 THR HA H 4.622 0.030 1 221 25 25 THR HB H 4.738 0.030 1 222 25 25 THR HG2 H 1.399 0.030 1 223 25 25 THR CA C 60.557 0.300 1 224 25 25 THR CB C 72.959 0.300 1 225 25 25 THR CG2 C 21.739 0.300 1 226 25 25 THR N N 119.908 0.300 1 227 26 26 GLU H H 9.494 0.030 1 228 26 26 GLU HA H 3.679 0.030 1 229 26 26 GLU HB2 H 2.209 0.030 2 230 26 26 GLU HB3 H 1.953 0.030 2 231 26 26 GLU HG2 H 2.466 0.030 2 232 26 26 GLU HG3 H 2.293 0.030 2 233 26 26 GLU CA C 61.058 0.300 1 234 26 26 GLU CB C 28.672 0.300 1 235 26 26 GLU CG C 37.512 0.300 1 236 26 26 GLU N N 121.041 0.300 1 237 27 27 ARG H H 8.190 0.030 1 238 27 27 ARG HA H 3.964 0.030 1 239 27 27 ARG HB2 H 1.942 0.030 2 240 27 27 ARG HB3 H 1.751 0.030 2 241 27 27 ARG HD2 H 3.175 0.030 2 242 27 27 ARG HD3 H 3.114 0.030 2 243 27 27 ARG HG2 H 1.621 0.030 2 244 27 27 ARG HG3 H 1.739 0.030 2 245 27 27 ARG CA C 59.534 0.300 1 246 27 27 ARG CB C 29.775 0.300 1 247 27 27 ARG CD C 43.420 0.300 1 248 27 27 ARG CG C 26.863 0.300 1 249 27 27 ARG N N 119.476 0.300 1 250 28 28 ASP H H 7.523 0.030 1 251 28 28 ASP HA H 4.366 0.030 1 252 28 28 ASP HB2 H 3.125 0.030 2 253 28 28 ASP HB3 H 2.674 0.030 2 254 28 28 ASP CA C 57.432 0.300 1 255 28 28 ASP CB C 41.204 0.300 1 256 28 28 ASP N N 119.598 0.300 1 257 29 29 LEU H H 7.734 0.030 1 258 29 29 LEU HA H 4.101 0.030 1 259 29 29 LEU HB2 H 1.977 0.030 2 260 29 29 LEU HB3 H 1.244 0.030 2 261 29 29 LEU HD1 H 0.516 0.030 1 262 29 29 LEU HD2 H 0.728 0.030 1 263 29 29 LEU HG H 1.673 0.030 1 264 29 29 LEU CA C 57.579 0.300 1 265 29 29 LEU CB C 42.751 0.300 1 266 29 29 LEU CD1 C 26.387 0.300 2 267 29 29 LEU CD2 C 23.590 0.300 2 268 29 29 LEU CG C 26.590 0.300 1 269 29 29 LEU N N 117.348 0.300 1 270 30 30 ARG H H 8.739 0.030 1 271 30 30 ARG HA H 3.774 0.030 1 272 30 30 ARG HB2 H 1.955 0.030 1 273 30 30 ARG HB3 H 1.955 0.030 1 274 30 30 ARG HD2 H 3.289 0.030 2 275 30 30 ARG HD3 H 3.120 0.030 2 276 30 30 ARG HG2 H 1.606 0.030 2 277 30 30 ARG HG3 H 1.497 0.030 2 278 30 30 ARG CA C 60.716 0.300 1 279 30 30 ARG CB C 30.122 0.300 1 280 30 30 ARG CD C 43.193 0.300 1 281 30 30 ARG CG C 29.615 0.300 1 282 30 30 ARG N N 120.064 0.300 1 283 31 31 GLU H H 8.167 0.030 1 284 31 31 GLU HA H 3.973 0.030 1 285 31 31 GLU HB2 H 2.190 0.030 2 286 31 31 GLU HB3 H 2.153 0.030 2 287 31 31 GLU HG2 H 2.372 0.030 2 288 31 31 GLU HG3 H 2.289 0.030 2 289 31 31 GLU CA C 59.666 0.300 1 290 31 31 GLU CB C 29.348 0.300 1 291 31 31 GLU CG C 36.239 0.300 1 292 31 31 GLU N N 119.723 0.300 1 293 32 32 VAL H H 7.591 0.030 1 294 32 32 VAL HA H 3.719 0.030 1 295 32 32 VAL HB H 1.979 0.030 1 296 32 32 VAL HG1 H 1.046 0.030 1 297 32 32 VAL HG2 H 0.449 0.030 1 298 32 32 VAL CA C 65.672 0.300 1 299 32 32 VAL CB C 32.740 0.300 1 300 32 32 VAL CG1 C 22.521 0.300 2 301 32 32 VAL CG2 C 20.864 0.300 2 302 32 32 VAL N N 116.575 0.300 1 303 33 33 PHE H H 8.496 0.030 1 304 33 33 PHE HA H 4.539 0.030 1 305 33 33 PHE HB2 H 3.354 0.030 2 306 33 33 PHE HB3 H 2.838 0.030 2 307 33 33 PHE HD1 H 7.624 0.030 1 308 33 33 PHE HD2 H 7.624 0.030 1 309 33 33 PHE HE1 H 6.977 0.030 1 310 33 33 PHE HE2 H 6.977 0.030 1 311 33 33 PHE HZ H 6.964 0.030 1 312 33 33 PHE CA C 62.968 0.300 1 313 33 33 PHE CB C 38.558 0.300 1 314 33 33 PHE CD1 C 131.181 0.300 1 315 33 33 PHE CD2 C 131.181 0.300 1 316 33 33 PHE CE1 C 130.380 0.300 1 317 33 33 PHE CE2 C 130.380 0.300 1 318 33 33 PHE CZ C 129.387 0.300 1 319 33 33 PHE N N 114.621 0.300 1 320 34 34 SER H H 8.404 0.030 1 321 34 34 SER HA H 4.840 0.030 1 322 34 34 SER HB2 H 4.082 0.030 2 323 34 34 SER HB3 H 4.025 0.030 2 324 34 34 SER CA C 61.070 0.300 1 325 34 34 SER CB C 62.988 0.300 1 326 34 34 SER N N 115.075 0.300 1 327 35 35 LYS H H 6.944 0.030 1 328 35 35 LYS HA H 3.964 0.030 1 329 35 35 LYS HB2 H 1.331 0.030 1 330 35 35 LYS HB3 H 1.331 0.030 1 331 35 35 LYS HD2 H 1.483 0.030 1 332 35 35 LYS HD3 H 1.483 0.030 1 333 35 35 LYS HE2 H 2.872 0.030 1 334 35 35 LYS HE3 H 2.872 0.030 1 335 35 35 LYS HG2 H 1.100 0.030 2 336 35 35 LYS HG3 H 0.991 0.030 2 337 35 35 LYS CA C 57.797 0.300 1 338 35 35 LYS CB C 31.570 0.300 1 339 35 35 LYS CD C 28.625 0.300 1 340 35 35 LYS CE C 41.992 0.300 1 341 35 35 LYS CG C 23.853 0.300 1 342 35 35 LYS N N 119.348 0.300 1 343 36 36 TYR H H 7.634 0.030 1 344 36 36 TYR HA H 4.456 0.030 1 345 36 36 TYR HB2 H 3.351 0.030 2 346 36 36 TYR HB3 H 3.019 0.030 2 347 36 36 TYR HD1 H 7.405 0.030 1 348 36 36 TYR HD2 H 7.405 0.030 1 349 36 36 TYR HE1 H 6.504 0.030 1 350 36 36 TYR HE2 H 6.504 0.030 1 351 36 36 TYR CA C 58.947 0.300 1 352 36 36 TYR CB C 38.672 0.300 1 353 36 36 TYR CD1 C 132.931 0.300 1 354 36 36 TYR CD2 C 132.931 0.300 1 355 36 36 TYR CE1 C 117.995 0.300 1 356 36 36 TYR CE2 C 117.995 0.300 1 357 36 36 TYR N N 116.371 0.300 1 358 37 37 GLY H H 7.352 0.030 1 359 37 37 GLY HA2 H 4.902 0.030 2 360 37 37 GLY HA3 H 3.901 0.030 2 361 37 37 GLY CA C 44.662 0.300 1 362 37 37 GLY N N 106.450 0.300 1 363 38 38 PRO HA H 4.436 0.030 1 364 38 38 PRO HB2 H 2.254 0.030 2 365 38 38 PRO HB3 H 1.889 0.030 2 366 38 38 PRO HD2 H 3.917 0.030 2 367 38 38 PRO HD3 H 3.579 0.030 2 368 38 38 PRO HG2 H 2.207 0.030 2 369 38 38 PRO HG3 H 2.047 0.030 2 370 38 38 PRO CA C 63.241 0.300 1 371 38 38 PRO CB C 32.182 0.300 1 372 38 38 PRO CD C 49.534 0.300 1 373 38 38 PRO CG C 27.988 0.300 1 374 39 39 ILE H H 8.516 0.030 1 375 39 39 ILE HA H 4.019 0.030 1 376 39 39 ILE HB H 1.701 0.030 1 377 39 39 ILE HD1 H 0.202 0.030 1 378 39 39 ILE HG12 H 1.340 0.030 2 379 39 39 ILE HG13 H 0.839 0.030 2 380 39 39 ILE HG2 H 0.497 0.030 1 381 39 39 ILE CA C 59.054 0.300 1 382 39 39 ILE CB C 39.419 0.300 1 383 39 39 ILE CD1 C 12.349 0.300 1 384 39 39 ILE CG1 C 27.093 0.300 1 385 39 39 ILE CG2 C 18.294 0.300 1 386 39 39 ILE N N 124.252 0.300 1 387 40 40 ALA H H 9.105 0.030 1 388 40 40 ALA HA H 4.391 0.030 1 389 40 40 ALA HB H 1.189 0.030 1 390 40 40 ALA CA C 53.491 0.300 1 391 40 40 ALA CB C 19.766 0.300 1 392 40 40 ALA N N 131.121 0.300 1 393 41 41 ASP H H 7.667 0.030 1 394 41 41 ASP HA H 4.700 0.030 1 395 41 41 ASP HB2 H 2.579 0.030 2 396 41 41 ASP HB3 H 2.168 0.030 2 397 41 41 ASP CA C 54.221 0.300 1 398 41 41 ASP CB C 43.890 0.300 1 399 41 41 ASP N N 114.355 0.300 1 400 42 42 VAL H H 8.261 0.030 1 401 42 42 VAL HA H 4.747 0.030 1 402 42 42 VAL HB H 1.924 0.030 1 403 42 42 VAL HG1 H 0.867 0.030 1 404 42 42 VAL HG2 H 0.864 0.030 1 405 42 42 VAL CA C 61.590 0.300 1 406 42 42 VAL CB C 35.422 0.300 1 407 42 42 VAL CG1 C 21.999 0.300 2 408 42 42 VAL CG2 C 22.559 0.300 2 409 42 42 VAL N N 120.769 0.300 1 410 43 43 SER H H 9.044 0.030 1 411 43 43 SER HA H 5.017 0.030 1 412 43 43 SER HB2 H 3.923 0.030 2 413 43 43 SER HB3 H 3.794 0.030 2 414 43 43 SER CA C 56.502 0.300 1 415 43 43 SER CB C 65.511 0.300 1 416 43 43 SER N N 120.769 0.300 1 417 44 44 ILE H H 8.954 0.030 1 418 44 44 ILE HA H 3.826 0.030 1 419 44 44 ILE HB H 1.529 0.030 1 420 44 44 ILE HD1 H 0.582 0.030 1 421 44 44 ILE HG12 H 1.353 0.030 2 422 44 44 ILE HG13 H 0.674 0.030 2 423 44 44 ILE HG2 H 0.160 0.030 1 424 44 44 ILE CA C 61.245 0.300 1 425 44 44 ILE CB C 38.547 0.300 1 426 44 44 ILE CD1 C 13.113 0.300 1 427 44 44 ILE CG1 C 29.991 0.300 1 428 44 44 ILE CG2 C 16.348 0.300 1 429 44 44 ILE N N 128.200 0.300 1 430 45 45 VAL H H 7.532 0.030 1 431 45 45 VAL HA H 3.798 0.030 1 432 45 45 VAL HB H 0.718 0.030 1 433 45 45 VAL HG1 H 0.711 0.030 1 434 45 45 VAL HG2 H 0.608 0.030 1 435 45 45 VAL CA C 62.988 0.300 1 436 45 45 VAL CB C 30.606 0.300 1 437 45 45 VAL CG1 C 21.774 0.300 2 438 45 45 VAL CG2 C 21.849 0.300 2 439 45 45 VAL N N 127.121 0.300 1 440 46 46 TYR H H 8.395 0.030 1 441 46 46 TYR HA H 4.710 0.030 1 442 46 46 TYR HB2 H 2.595 0.030 2 443 46 46 TYR HB3 H 2.537 0.030 2 444 46 46 TYR HD1 H 6.866 0.030 1 445 46 46 TYR HD2 H 6.866 0.030 1 446 46 46 TYR HE1 H 6.758 0.030 1 447 46 46 TYR HE2 H 6.758 0.030 1 448 46 46 TYR CA C 57.274 0.300 1 449 46 46 TYR CB C 40.992 0.300 1 450 46 46 TYR CD1 C 133.296 0.300 1 451 46 46 TYR CD2 C 133.296 0.300 1 452 46 46 TYR CE1 C 117.844 0.300 1 453 46 46 TYR CE2 C 117.844 0.300 1 454 46 46 TYR N N 125.510 0.300 1 455 47 47 ASP H H 8.880 0.030 1 456 47 47 ASP HA H 4.568 0.030 1 457 47 47 ASP HB2 H 3.057 0.030 2 458 47 47 ASP HB3 H 2.534 0.030 2 459 47 47 ASP CA C 54.126 0.300 1 460 47 47 ASP CB C 42.511 0.300 1 461 47 47 ASP N N 122.904 0.300 1 462 48 48 GLN H H 9.029 0.030 1 463 48 48 GLN HA H 4.024 0.030 1 464 48 48 GLN HB2 H 2.176 0.030 2 465 48 48 GLN HB3 H 2.119 0.030 2 466 48 48 GLN HE21 H 7.544 0.030 2 467 48 48 GLN HE22 H 6.934 0.030 2 468 48 48 GLN HG2 H 2.482 0.030 1 469 48 48 GLN HG3 H 2.482 0.030 1 470 48 48 GLN CA C 58.488 0.300 1 471 48 48 GLN CB C 28.705 0.300 1 472 48 48 GLN CG C 34.015 0.300 1 473 48 48 GLN N N 125.973 0.300 1 474 48 48 GLN NE2 N 112.529 0.300 1 475 49 49 GLN H H 8.495 0.030 1 476 49 49 GLN HA H 4.296 0.030 1 477 49 49 GLN HB2 H 2.183 0.030 1 478 49 49 GLN HB3 H 2.183 0.030 1 479 49 49 GLN HE21 H 7.601 0.030 2 480 49 49 GLN HE22 H 6.868 0.030 2 481 49 49 GLN HG2 H 2.424 0.030 2 482 49 49 GLN HG3 H 2.383 0.030 2 483 49 49 GLN CA C 57.991 0.300 1 484 49 49 GLN CB C 29.034 0.300 1 485 49 49 GLN CG C 34.317 0.300 1 486 49 49 GLN N N 117.075 0.300 1 487 49 49 GLN NE2 N 112.360 0.300 1 488 50 50 SER H H 8.360 0.030 1 489 50 50 SER HA H 4.385 0.030 1 490 50 50 SER HB2 H 3.963 0.030 2 491 50 50 SER HB3 H 3.850 0.030 2 492 50 50 SER CA C 58.774 0.300 1 493 50 50 SER CB C 64.804 0.300 1 494 50 50 SER N N 113.518 0.300 1 495 51 51 ARG H H 8.083 0.030 1 496 51 51 ARG HA H 3.934 0.030 1 497 51 51 ARG HB2 H 2.081 0.030 2 498 51 51 ARG HB3 H 1.967 0.030 2 499 51 51 ARG HD2 H 3.115 0.030 2 500 51 51 ARG HD3 H 3.071 0.030 2 501 51 51 ARG HG2 H 1.541 0.030 2 502 51 51 ARG HG3 H 1.463 0.030 2 503 51 51 ARG CA C 57.284 0.300 1 504 51 51 ARG CB C 26.849 0.300 1 505 51 51 ARG CD C 42.825 0.300 1 506 51 51 ARG CG C 27.037 0.300 1 507 51 51 ARG N N 116.633 0.300 1 508 52 52 ARG H H 7.766 0.030 1 509 52 52 ARG HA H 4.550 0.030 1 510 52 52 ARG HB2 H 1.862 0.030 2 511 52 52 ARG HB3 H 1.689 0.030 2 512 52 52 ARG HD2 H 3.178 0.030 1 513 52 52 ARG HD3 H 3.178 0.030 1 514 52 52 ARG HG2 H 1.681 0.030 1 515 52 52 ARG HG3 H 1.681 0.030 1 516 52 52 ARG CA C 55.172 0.300 1 517 52 52 ARG CB C 32.265 0.300 1 518 52 52 ARG CD C 43.547 0.300 1 519 52 52 ARG CG C 27.317 0.300 1 520 52 52 ARG N N 117.851 0.300 1 521 53 53 SER H H 8.886 0.030 1 522 53 53 SER HA H 3.900 0.030 1 523 53 53 SER HB2 H 3.891 0.030 2 524 53 53 SER HB3 H 3.764 0.030 2 525 53 53 SER CA C 58.179 0.300 1 526 53 53 SER CB C 64.175 0.300 1 527 53 53 SER N N 117.291 0.300 1 528 54 54 ARG H H 8.966 0.030 1 529 54 54 ARG HA H 4.375 0.030 1 530 54 54 ARG HB2 H 1.236 0.030 2 531 54 54 ARG HB3 H 2.225 0.030 2 532 54 54 ARG HD2 H 3.225 0.030 2 533 54 54 ARG HD3 H 3.081 0.030 2 534 54 54 ARG HG2 H 1.634 0.030 1 535 54 54 ARG HG3 H 1.634 0.030 1 536 54 54 ARG CA C 56.366 0.300 1 537 54 54 ARG CB C 30.501 0.300 1 538 54 54 ARG CD C 43.519 0.300 1 539 54 54 ARG CG C 28.103 0.300 1 540 54 54 ARG N N 122.587 0.300 1 541 55 55 GLY H H 9.188 0.030 1 542 55 55 GLY HA2 H 4.086 0.030 2 543 55 55 GLY HA3 H 3.210 0.030 2 544 55 55 GLY CA C 46.024 0.300 1 545 55 55 GLY N N 107.759 0.300 1 546 56 56 PHE H H 7.010 0.030 1 547 56 56 PHE HA H 5.221 0.030 1 548 56 56 PHE HB2 H 3.225 0.030 2 549 56 56 PHE HB3 H 2.568 0.030 2 550 56 56 PHE HD1 H 6.703 0.030 1 551 56 56 PHE HD2 H 6.703 0.030 1 552 56 56 PHE HE1 H 7.221 0.030 1 553 56 56 PHE HE2 H 7.221 0.030 1 554 56 56 PHE HZ H 7.286 0.030 1 555 56 56 PHE CA C 54.909 0.300 1 556 56 56 PHE CB C 41.820 0.300 1 557 56 56 PHE CD1 C 132.660 0.300 1 558 56 56 PHE CD2 C 132.660 0.300 1 559 56 56 PHE CE1 C 131.181 0.300 1 560 56 56 PHE CE2 C 131.181 0.300 1 561 56 56 PHE CZ C 129.431 0.300 1 562 56 56 PHE N N 112.758 0.300 1 563 57 57 ALA H H 8.459 0.030 1 564 57 57 ALA HA H 4.665 0.030 1 565 57 57 ALA HB H 0.815 0.030 1 566 57 57 ALA CA C 49.693 0.300 1 567 57 57 ALA CB C 26.330 0.300 1 568 57 57 ALA N N 119.962 0.300 1 569 58 58 PHE H H 8.402 0.030 1 570 58 58 PHE HA H 5.288 0.030 1 571 58 58 PHE HB2 H 2.538 0.030 2 572 58 58 PHE HB3 H 2.481 0.030 2 573 58 58 PHE HD1 H 7.013 0.030 1 574 58 58 PHE HD2 H 7.013 0.030 1 575 58 58 PHE HE1 H 7.292 0.030 1 576 58 58 PHE HE2 H 7.292 0.030 1 577 58 58 PHE HZ H 7.376 0.030 1 578 58 58 PHE CA C 56.534 0.300 1 579 58 58 PHE CB C 42.478 0.300 1 580 58 58 PHE CD1 C 131.927 0.300 1 581 58 58 PHE CD2 C 131.927 0.300 1 582 58 58 PHE CE1 C 130.887 0.300 1 583 58 58 PHE CE2 C 130.887 0.300 1 584 58 58 PHE CZ C 129.159 0.300 1 585 58 58 PHE N N 115.310 0.300 1 586 59 59 VAL H H 9.086 0.030 1 587 59 59 VAL HA H 4.228 0.030 1 588 59 59 VAL HB H 1.391 0.030 1 589 59 59 VAL HG1 H 0.261 0.030 1 590 59 59 VAL HG2 H 0.252 0.030 1 591 59 59 VAL CA C 61.245 0.300 1 592 59 59 VAL CB C 34.305 0.300 1 593 59 59 VAL CG1 C 20.626 0.300 2 594 59 59 VAL CG2 C 21.495 0.300 2 595 59 59 VAL N N 123.057 0.300 1 596 60 60 TYR H H 8.832 0.030 1 597 60 60 TYR HA H 5.053 0.030 1 598 60 60 TYR HB2 H 2.872 0.030 2 599 60 60 TYR HB3 H 2.815 0.030 2 600 60 60 TYR HD1 H 6.950 0.030 1 601 60 60 TYR HD2 H 6.950 0.030 1 602 60 60 TYR HE1 H 6.640 0.030 1 603 60 60 TYR HE2 H 6.640 0.030 1 604 60 60 TYR CA C 56.603 0.300 1 605 60 60 TYR CB C 39.055 0.300 1 606 60 60 TYR CD1 C 133.076 0.300 1 607 60 60 TYR CD2 C 133.076 0.300 1 608 60 60 TYR CE1 C 118.685 0.300 1 609 60 60 TYR CE2 C 118.685 0.300 1 610 60 60 TYR N N 124.706 0.300 1 611 61 61 PHE H H 8.926 0.030 1 612 61 61 PHE HA H 4.614 0.030 1 613 61 61 PHE HB2 H 3.813 0.030 2 614 61 61 PHE HB3 H 2.872 0.030 2 615 61 61 PHE HD1 H 7.337 0.030 1 616 61 61 PHE HD2 H 7.337 0.030 1 617 61 61 PHE HE1 H 7.133 0.030 1 618 61 61 PHE HE2 H 7.133 0.030 1 619 61 61 PHE HZ H 7.442 0.030 1 620 61 61 PHE CA C 59.103 0.300 1 621 61 61 PHE CB C 40.568 0.300 1 622 61 61 PHE CD1 C 131.431 0.300 1 623 61 61 PHE CD2 C 131.431 0.300 1 624 61 61 PHE CE1 C 131.398 0.300 1 625 61 61 PHE CE2 C 131.398 0.300 1 626 61 61 PHE CZ C 129.363 0.300 1 627 61 61 PHE N N 124.355 0.300 1 628 62 62 GLU H H 7.990 0.030 1 629 62 62 GLU HA H 4.271 0.030 1 630 62 62 GLU HB2 H 2.148 0.030 2 631 62 62 GLU HB3 H 1.983 0.030 2 632 62 62 GLU HG2 H 2.168 0.030 2 633 62 62 GLU HG3 H 2.141 0.030 2 634 62 62 GLU CA C 59.205 0.300 1 635 62 62 GLU CB C 30.491 0.300 1 636 62 62 GLU CG C 36.706 0.300 1 637 62 62 GLU N N 117.894 0.300 1 638 63 63 ASN H H 9.118 0.030 1 639 63 63 ASN HA H 5.169 0.030 1 640 63 63 ASN HB2 H 2.992 0.030 2 641 63 63 ASN HB3 H 2.796 0.030 2 642 63 63 ASN HD21 H 7.658 0.030 2 643 63 63 ASN HD22 H 7.284 0.030 2 644 63 63 ASN CA C 51.995 0.300 1 645 63 63 ASN CB C 41.107 0.300 1 646 63 63 ASN N N 116.206 0.300 1 647 63 63 ASN ND2 N 114.825 0.300 1 648 64 64 VAL H H 8.856 0.030 1 649 64 64 VAL HA H 3.800 0.030 1 650 64 64 VAL HB H 2.067 0.030 1 651 64 64 VAL HG1 H 0.967 0.030 1 652 64 64 VAL HG2 H 0.935 0.030 1 653 64 64 VAL CA C 65.534 0.300 1 654 64 64 VAL CB C 31.955 0.300 1 655 64 64 VAL CG1 C 22.422 0.300 2 656 64 64 VAL CG2 C 20.409 0.300 2 657 64 64 VAL N N 125.871 0.300 1 658 65 65 ASP H H 8.438 0.030 1 659 65 65 ASP HA H 4.403 0.030 1 660 65 65 ASP HB2 H 2.708 0.030 2 661 65 65 ASP HB3 H 2.620 0.030 2 662 65 65 ASP CA C 57.603 0.300 1 663 65 65 ASP CB C 39.949 0.300 1 664 65 65 ASP N N 121.033 0.300 1 665 66 66 ASP H H 7.336 0.030 1 666 66 66 ASP HA H 4.390 0.030 1 667 66 66 ASP HB2 H 2.981 0.030 2 668 66 66 ASP HB3 H 2.615 0.030 2 669 66 66 ASP CA C 56.620 0.300 1 670 66 66 ASP CB C 40.141 0.300 1 671 66 66 ASP N N 122.177 0.300 1 672 67 67 ALA H H 6.981 0.030 1 673 67 67 ALA HA H 2.888 0.030 1 674 67 67 ALA HB H 1.426 0.030 1 675 67 67 ALA CA C 54.501 0.300 1 676 67 67 ALA CB C 18.307 0.300 1 677 67 67 ALA N N 121.064 0.300 1 678 68 68 LYS H H 8.027 0.030 1 679 68 68 LYS HA H 4.000 0.030 1 680 68 68 LYS HB2 H 2.029 0.030 1 681 68 68 LYS HB3 H 2.029 0.030 1 682 68 68 LYS HD2 H 1.752 0.030 1 683 68 68 LYS HD3 H 1.752 0.030 1 684 68 68 LYS HE2 H 2.947 0.030 1 685 68 68 LYS HE3 H 2.947 0.030 1 686 68 68 LYS HG2 H 1.764 0.030 2 687 68 68 LYS HG3 H 1.521 0.030 2 688 68 68 LYS CA C 60.314 0.300 1 689 68 68 LYS CB C 32.596 0.300 1 690 68 68 LYS CD C 29.844 0.300 1 691 68 68 LYS CE C 42.057 0.300 1 692 68 68 LYS CG C 25.661 0.300 1 693 68 68 LYS N N 116.416 0.300 1 694 69 69 GLU H H 7.372 0.030 1 695 69 69 GLU HA H 4.067 0.030 1 696 69 69 GLU HB2 H 2.186 0.030 2 697 69 69 GLU HB3 H 2.099 0.030 2 698 69 69 GLU HG2 H 2.532 0.030 2 699 69 69 GLU HG3 H 2.287 0.030 2 700 69 69 GLU CA C 58.857 0.300 1 701 69 69 GLU CB C 29.363 0.300 1 702 69 69 GLU CG C 35.386 0.300 1 703 69 69 GLU N N 120.040 0.300 1 704 70 70 ALA H H 7.982 0.030 1 705 70 70 ALA HA H 2.416 0.030 1 706 70 70 ALA HB H 1.084 0.030 1 707 70 70 ALA CA C 54.467 0.300 1 708 70 70 ALA CB C 20.642 0.300 1 709 70 70 ALA N N 120.456 0.300 1 710 71 71 LYS H H 8.076 0.030 1 711 71 71 LYS HA H 3.485 0.030 1 712 71 71 LYS HB2 H 1.659 0.030 2 713 71 71 LYS HB3 H 1.558 0.030 2 714 71 71 LYS HD2 H 1.393 0.030 2 715 71 71 LYS HD3 H 1.297 0.030 2 716 71 71 LYS HE2 H 2.975 0.030 1 717 71 71 LYS HE3 H 2.975 0.030 1 718 71 71 LYS HG2 H 1.019 0.030 2 719 71 71 LYS HG3 H 0.725 0.030 2 720 71 71 LYS CA C 60.241 0.300 1 721 71 71 LYS CB C 31.630 0.300 1 722 71 71 LYS CD C 29.853 0.300 1 723 71 71 LYS CE C 42.603 0.300 1 724 71 71 LYS CG C 24.363 0.300 1 725 71 71 LYS N N 117.382 0.300 1 726 72 72 GLU H H 7.442 0.030 1 727 72 72 GLU HA H 4.017 0.030 1 728 72 72 GLU HB2 H 2.074 0.030 1 729 72 72 GLU HB3 H 2.074 0.030 1 730 72 72 GLU HG2 H 2.406 0.030 2 731 72 72 GLU HG3 H 2.369 0.030 2 732 72 72 GLU CA C 58.477 0.300 1 733 72 72 GLU CB C 29.807 0.300 1 734 72 72 GLU CG C 35.978 0.300 1 735 72 72 GLU N N 115.291 0.300 1 736 73 73 ARG H H 8.185 0.030 1 737 73 73 ARG HA H 4.268 0.030 1 738 73 73 ARG HB2 H 1.969 0.030 2 739 73 73 ARG HB3 H 1.643 0.030 2 740 73 73 ARG HD2 H 3.231 0.030 1 741 73 73 ARG HD3 H 3.231 0.030 1 742 73 73 ARG HG2 H 1.812 0.030 1 743 73 73 ARG HG3 H 1.812 0.030 1 744 73 73 ARG CA C 57.239 0.300 1 745 73 73 ARG CB C 31.296 0.300 1 746 73 73 ARG CD C 43.296 0.300 1 747 73 73 ARG CG C 27.161 0.300 1 748 73 73 ARG N N 115.439 0.300 1 749 74 74 ALA H H 8.772 0.030 1 750 74 74 ALA HA H 4.381 0.030 1 751 74 74 ALA HB H 1.296 0.030 1 752 74 74 ALA CA C 52.682 0.300 1 753 74 74 ALA CB C 20.239 0.300 1 754 74 74 ALA N N 119.473 0.300 1 755 75 75 ASN H H 6.881 0.030 1 756 75 75 ASN HA H 4.294 0.030 1 757 75 75 ASN HB2 H 3.258 0.030 2 758 75 75 ASN HB3 H 2.864 0.030 2 759 75 75 ASN HD21 H 7.766 0.030 2 760 75 75 ASN HD22 H 7.035 0.030 2 761 75 75 ASN CA C 56.318 0.300 1 762 75 75 ASN CB C 38.727 0.300 1 763 75 75 ASN N N 113.643 0.300 1 764 75 75 ASN ND2 N 114.461 0.300 1 765 76 76 GLY H H 8.619 0.030 1 766 76 76 GLY HA2 H 4.247 0.030 2 767 76 76 GLY HA3 H 3.702 0.030 2 768 76 76 GLY CA C 45.727 0.300 1 769 76 76 GLY N N 116.807 0.300 1 770 77 77 MET H H 7.885 0.030 1 771 77 77 MET HA H 4.277 0.030 1 772 77 77 MET HB2 H 2.257 0.030 2 773 77 77 MET HB3 H 1.956 0.030 2 774 77 77 MET HE H 1.994 0.030 1 775 77 77 MET HG2 H 2.784 0.030 2 776 77 77 MET HG3 H 2.194 0.030 2 777 77 77 MET CA C 56.204 0.300 1 778 77 77 MET CB C 33.275 0.300 1 779 77 77 MET CE C 16.882 0.300 1 780 77 77 MET CG C 31.447 0.300 1 781 77 77 MET N N 120.200 0.300 1 782 78 78 GLU H H 8.385 0.030 1 783 78 78 GLU HA H 4.881 0.030 1 784 78 78 GLU HB2 H 1.881 0.030 2 785 78 78 GLU HB3 H 1.750 0.030 2 786 78 78 GLU HG2 H 1.990 0.030 2 787 78 78 GLU HG3 H 1.881 0.030 2 788 78 78 GLU CA C 55.238 0.300 1 789 78 78 GLU CB C 30.852 0.300 1 790 78 78 GLU CG C 37.092 0.300 1 791 78 78 GLU N N 121.581 0.300 1 792 79 79 LEU H H 9.175 0.030 1 793 79 79 LEU HA H 4.580 0.030 1 794 79 79 LEU HB2 H 1.777 0.030 2 795 79 79 LEU HB3 H 1.210 0.030 2 796 79 79 LEU HD1 H 0.816 0.030 1 797 79 79 LEU HD2 H 0.895 0.030 1 798 79 79 LEU HG H 1.459 0.030 1 799 79 79 LEU CA C 54.545 0.300 1 800 79 79 LEU CB C 44.935 0.300 1 801 79 79 LEU CD1 C 26.060 0.300 2 802 79 79 LEU CD2 C 24.420 0.300 2 803 79 79 LEU CG C 27.711 0.300 1 804 79 79 LEU N N 128.033 0.300 1 805 80 80 ASP H H 9.650 0.030 1 806 80 80 ASP HA H 4.301 0.030 1 807 80 80 ASP HB2 H 3.012 0.030 2 808 80 80 ASP HB3 H 2.394 0.030 2 809 80 80 ASP CA C 55.596 0.300 1 810 80 80 ASP CB C 40.103 0.300 1 811 80 80 ASP N N 129.908 0.300 1 812 81 81 GLY H H 8.671 0.030 1 813 81 81 GLY HA2 H 4.102 0.030 2 814 81 81 GLY HA3 H 3.667 0.030 2 815 81 81 GLY CA C 45.626 0.300 1 816 81 81 GLY N N 102.137 0.300 1 817 82 82 ARG H H 7.563 0.030 1 818 82 82 ARG HA H 4.677 0.030 1 819 82 82 ARG HB2 H 2.020 0.030 2 820 82 82 ARG HB3 H 1.798 0.030 2 821 82 82 ARG HD2 H 3.216 0.030 1 822 82 82 ARG HD3 H 3.216 0.030 1 823 82 82 ARG HG2 H 1.701 0.030 2 824 82 82 ARG HG3 H 1.581 0.030 2 825 82 82 ARG CA C 53.057 0.300 1 826 82 82 ARG CB C 32.394 0.300 1 827 82 82 ARG CD C 42.620 0.300 1 828 82 82 ARG CG C 26.366 0.300 1 829 82 82 ARG N N 119.557 0.300 1 830 83 83 ARG H H 8.512 0.030 1 831 83 83 ARG HA H 4.743 0.030 1 832 83 83 ARG HB2 H 1.768 0.030 2 833 83 83 ARG HB3 H 1.545 0.030 2 834 83 83 ARG HD2 H 3.129 0.030 1 835 83 83 ARG HD3 H 3.129 0.030 1 836 83 83 ARG HG2 H 1.660 0.030 2 837 83 83 ARG HG3 H 1.449 0.030 2 838 83 83 ARG CA C 54.922 0.300 1 839 83 83 ARG CB C 29.557 0.300 1 840 83 83 ARG CD C 43.197 0.300 1 841 83 83 ARG CG C 27.359 0.300 1 842 83 83 ARG N N 121.314 0.300 1 843 84 84 ILE H H 8.464 0.030 1 844 84 84 ILE HA H 4.676 0.030 1 845 84 84 ILE HB H 1.923 0.030 1 846 84 84 ILE HD1 H 0.757 0.030 1 847 84 84 ILE HG12 H 1.517 0.030 2 848 84 84 ILE HG13 H 1.405 0.030 2 849 84 84 ILE HG2 H 0.862 0.030 1 850 84 84 ILE CA C 60.887 0.300 1 851 84 84 ILE CB C 39.596 0.300 1 852 84 84 ILE CD1 C 13.557 0.300 1 853 84 84 ILE CG1 C 25.370 0.300 1 854 84 84 ILE CG2 C 18.715 0.300 1 855 84 84 ILE N N 121.836 0.300 1 856 85 85 ARG H H 8.604 0.030 1 857 85 85 ARG HA H 5.105 0.030 1 858 85 85 ARG HB2 H 1.862 0.030 2 859 85 85 ARG HB3 H 1.730 0.030 2 860 85 85 ARG HD2 H 3.274 0.030 2 861 85 85 ARG HD3 H 3.121 0.030 2 862 85 85 ARG HG2 H 1.460 0.030 2 863 85 85 ARG HG3 H 1.720 0.030 2 864 85 85 ARG CA C 54.187 0.300 1 865 85 85 ARG CB C 33.057 0.300 1 866 85 85 ARG CD C 43.262 0.300 1 867 85 85 ARG CG C 27.806 0.300 1 868 85 85 ARG N N 123.825 0.300 1 869 86 86 VAL H H 8.641 0.030 1 870 86 86 VAL HA H 5.312 0.030 1 871 86 86 VAL HB H 1.849 0.030 1 872 86 86 VAL HG1 H 0.897 0.030 1 873 86 86 VAL HG2 H 1.028 0.030 1 874 86 86 VAL CA C 60.220 0.300 1 875 86 86 VAL CB C 34.739 0.300 1 876 86 86 VAL CG1 C 24.375 0.300 2 877 86 86 VAL CG2 C 22.113 0.300 2 878 86 86 VAL N N 124.292 0.300 1 879 87 87 ASP H H 9.005 0.030 1 880 87 87 ASP HA H 4.703 0.030 1 881 87 87 ASP HB2 H 2.765 0.030 2 882 87 87 ASP HB3 H 2.502 0.030 2 883 87 87 ASP CA C 52.272 0.300 1 884 87 87 ASP CB C 44.977 0.300 1 885 87 87 ASP N N 124.682 0.300 1 886 88 88 PHE H H 9.040 0.030 1 887 88 88 PHE HA H 4.786 0.030 1 888 88 88 PHE HB2 H 3.369 0.030 2 889 88 88 PHE HB3 H 2.790 0.030 2 890 88 88 PHE HD1 H 7.362 0.030 1 891 88 88 PHE HD2 H 7.362 0.030 1 892 88 88 PHE HE1 H 7.305 0.030 1 893 88 88 PHE HE2 H 7.305 0.030 1 894 88 88 PHE HZ H 7.176 0.030 1 895 88 88 PHE CA C 59.598 0.300 1 896 88 88 PHE CB C 39.614 0.300 1 897 88 88 PHE CD1 C 132.108 0.300 1 898 88 88 PHE CD2 C 132.108 0.300 1 899 88 88 PHE CE1 C 131.409 0.300 1 900 88 88 PHE CE2 C 131.409 0.300 1 901 88 88 PHE CZ C 129.370 0.300 1 902 88 88 PHE N N 120.956 0.300 1 903 89 89 SER H H 8.653 0.030 1 904 89 89 SER HA H 4.620 0.030 1 905 89 89 SER HB2 H 3.914 0.030 2 906 89 89 SER HB3 H 3.824 0.030 2 907 89 89 SER CA C 58.614 0.300 1 908 89 89 SER CB C 64.329 0.300 1 909 89 89 SER N N 117.837 0.300 1 910 90 90 ILE H H 8.338 0.030 1 911 90 90 ILE HA H 4.369 0.030 1 912 90 90 ILE HB H 1.933 0.030 1 913 90 90 ILE HD1 H 0.845 0.030 1 914 90 90 ILE HG12 H 1.453 0.030 2 915 90 90 ILE HG13 H 1.205 0.030 2 916 90 90 ILE HG2 H 0.905 0.030 1 917 90 90 ILE CA C 61.113 0.300 1 918 90 90 ILE CB C 38.750 0.300 1 919 90 90 ILE CD1 C 13.307 0.300 1 920 90 90 ILE CG1 C 27.227 0.300 1 921 90 90 ILE CG2 C 17.795 0.300 1 922 90 90 ILE N N 122.019 0.300 1 923 91 91 THR H H 8.047 0.030 1 924 91 91 THR HA H 4.272 0.030 1 925 91 91 THR HB H 4.061 0.030 1 926 91 91 THR HG2 H 1.084 0.030 1 927 91 91 THR CA C 61.885 0.300 1 928 91 91 THR CB C 69.966 0.300 1 929 91 91 THR CG2 C 21.557 0.300 1 930 91 91 THR N N 118.212 0.300 1 931 92 92 LYS H H 8.284 0.030 1 932 92 92 LYS HA H 4.278 0.030 1 933 92 92 LYS HB2 H 1.776 0.030 2 934 92 92 LYS HB3 H 1.692 0.030 2 935 92 92 LYS HD2 H 1.617 0.030 1 936 92 92 LYS HD3 H 1.617 0.030 1 937 92 92 LYS HE2 H 2.910 0.030 1 938 92 92 LYS HE3 H 2.910 0.030 1 939 92 92 LYS HG2 H 1.382 0.030 2 940 92 92 LYS HG3 H 1.327 0.030 2 941 92 92 LYS CA C 55.929 0.300 1 942 92 92 LYS CB C 32.932 0.300 1 943 92 92 LYS CD C 29.077 0.300 1 944 92 92 LYS CE C 42.096 0.300 1 945 92 92 LYS CG C 24.725 0.300 1 946 92 92 LYS N N 124.441 0.300 1 947 93 93 ARG H H 8.305 0.030 1 948 93 93 ARG HA H 4.506 0.030 1 949 93 93 ARG HB2 H 1.753 0.030 2 950 93 93 ARG HB3 H 1.617 0.030 2 951 93 93 ARG HD2 H 3.083 0.030 1 952 93 93 ARG HD3 H 3.083 0.030 1 953 93 93 ARG HG2 H 1.569 0.030 1 954 93 93 ARG HG3 H 1.569 0.030 1 955 93 93 ARG CA C 53.965 0.300 1 956 93 93 ARG CB C 30.204 0.300 1 957 93 93 ARG CD C 43.325 0.300 1 958 93 93 ARG CG C 26.822 0.300 1 959 93 93 ARG N N 123.973 0.300 1 960 94 94 PRO HA H 4.345 0.030 1 961 94 94 PRO HB2 H 2.180 0.030 2 962 94 94 PRO HB3 H 1.799 0.030 2 963 94 94 PRO HD2 H 3.732 0.030 2 964 94 94 PRO HD3 H 3.562 0.030 2 965 94 94 PRO HG2 H 1.942 0.030 1 966 94 94 PRO HG3 H 1.942 0.030 1 967 94 94 PRO CA C 63.160 0.300 1 968 94 94 PRO CB C 32.107 0.300 1 969 94 94 PRO CD C 50.614 0.300 1 970 94 94 PRO CG C 27.338 0.300 1 971 95 95 HIS H H 8.315 0.030 1 972 95 95 HIS HA H 4.628 0.030 1 973 95 95 HIS HB2 H 3.156 0.030 1 974 95 95 HIS HB3 H 3.156 0.030 1 975 95 95 HIS HD2 H 7.059 0.030 1 976 95 95 HIS HE1 H 7.995 0.030 1 977 95 95 HIS CA C 56.114 0.300 1 978 95 95 HIS CB C 30.204 0.300 1 979 95 95 HIS CD2 C 120.671 0.300 1 980 95 95 HIS CE1 C 137.926 0.300 1 981 95 95 HIS N N 118.984 0.300 1 982 96 96 THR H H 7.739 0.030 1 983 96 96 THR HA H 4.128 0.030 1 984 96 96 THR HB H 4.227 0.030 1 985 96 96 THR HG2 H 1.115 0.030 1 986 96 96 THR CA C 63.240 0.300 1 987 96 96 THR CB C 70.733 0.300 1 988 96 96 THR CG2 C 21.983 0.300 1 989 96 96 THR N N 119.973 0.300 1 stop_ save_