data_11409 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA) ; _BMRB_accession_number 11409 _BMRB_flat_file_name bmr11409.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" 562 "13C chemical shifts" 409 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11410 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (GACUUCAACAAGUC)' 11411 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (AAAAAA)' 11412 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (UCAAU)' 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 RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA) ; _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 5'-R(*GP*AP*AP*GP*AP*A)-3 $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 'RNA recognition motif' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GSSGSSGNRANPDPNCCLGV FGLSLYTTERDLREVFSKYG PIADVSIVYDQQSRRSRGFA FVYFENVDDAKEAKERANGM ELDGRRIRVDFSITKRPHT ; 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 ASP 91 PHE 92 SER 93 ILE 94 THR 95 LYS 96 ARG 97 PRO 98 HIS 99 THR 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 11400 "RNA recognition motif" 89.90 95 100.00 100.00 7.38e-57 BMRB 11410 "RNA recognition motif" 100.00 99 100.00 100.00 2.32e-65 BMRB 11411 "RNA recognition motif" 100.00 99 100.00 100.00 2.32e-65 BMRB 11412 "RNA recognition motif" 100.00 99 100.00 100.00 2.32e-65 BMRB 16920 Tra2beta1 92.93 95 100.00 100.00 2.06e-60 PDB 2CQC "Solution Structure Of The Rna Recognition Motif In ArginineSERINE-Rich Splicing Factor 10" 89.90 95 100.00 100.00 7.38e-57 PDB 2KXN "Nmr Structure Of Human Tra2beta1 Rrm In Complex With Aagaac Rna" 92.93 129 100.00 100.00 2.77e-61 PDB 2RRA "Solution Structure Of Rna Binding Domain In Human Tra2 Beta Protein In Complex With Rna (Gaagaa)" 100.00 99 100.00 100.00 2.32e-65 DBJ BAA08556 "RNA binding protein (transformer-2-like) [Rattus norvegicus]" 93.94 288 100.00 100.00 4.68e-61 DBJ BAC05256 "unnamed protein product [Homo sapiens]" 93.94 252 100.00 100.00 1.31e-60 DBJ BAC33819 "unnamed protein product [Mus musculus]" 93.94 288 100.00 100.00 4.68e-61 DBJ BAD92445 "splicing factor, arginine/serine-rich 10 (transformer 2 homolog, Drosophila) variant [Homo sapiens]" 93.94 278 100.00 100.00 7.05e-61 DBJ BAE88784 "unnamed protein product [Macaca fascicularis]" 93.94 288 100.00 100.00 6.75e-61 EMBL CAA56518 "SIG41 [Mus musculus]" 93.94 288 100.00 100.00 4.68e-61 EMBL CAH18071 "hypothetical protein [Homo sapiens]" 93.94 276 100.00 100.00 4.61e-61 EMBL CAH90742 "hypothetical protein [Pongo abelii]" 93.94 288 98.92 98.92 5.98e-60 GB AAB08701 "transformer-2 beta [Homo sapiens]" 93.94 288 100.00 100.00 4.68e-61 GB AAC28242 "htra2-beta [Homo sapiens]" 93.94 288 100.00 100.00 4.68e-61 GB AAD19277 "transformer-2-beta isoform 1 [Homo sapiens]" 93.94 288 100.00 100.00 4.68e-61 GB AAD19278 "transformer-2-beta isoform 3 [Homo sapiens]" 93.94 188 100.00 100.00 3.95e-60 GB AAG35783 "transformer-2 beta [Gallus gallus]" 93.94 289 98.92 100.00 2.82e-60 REF NP_001006878 "transformer-2 protein homolog beta [Xenopus (Silurana) tropicalis]" 93.94 293 97.85 100.00 2.89e-60 REF NP_001029948 "transformer-2 protein homolog beta [Bos taurus]" 93.94 288 100.00 100.00 4.68e-61 REF NP_001070689 "transformer-2 protein homolog beta [Sus scrofa]" 93.94 288 100.00 100.00 4.68e-61 REF NP_001125414 "transformer-2 protein homolog beta [Pongo abelii]" 93.94 288 98.92 98.92 5.98e-60 REF NP_001230808 "transformer-2 protein homolog beta isoform 2 [Homo sapiens]" 93.94 188 100.00 100.00 3.95e-60 SP P62995 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; Short=hTRA2-beta; AltName: Full=Splicing f" 93.94 288 100.00 100.00 4.68e-61 SP P62996 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Silica-induced gene 41 prote" 93.94 288 100.00 100.00 4.68e-61 SP P62997 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=RA301; AltName: Full=Splicin" 93.94 288 100.00 100.00 4.68e-61 SP Q3ZBT6 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Splicing factor, arginine/se" 93.94 288 100.00 100.00 4.68e-61 TPG DAA33375 "TPA: transformer-2 protein homolog beta [Bos taurus]" 93.94 288 100.00 100.00 4.68e-61 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 5'-R(*GP*AP*AP*GP*AP*A)-3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence GAAGAA loop_ _Residue_seq_code _Residue_label 1 G 2 A 3 A 4 G 5 A 6 A stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 . P040517-05 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, 2 mM RNA (5'-R(GAAGAA)-3')-2, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_2 2 mM 'natural abundance' salt 100 mM . 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_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H 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 283 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' '2D 1H-1H 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 6 6 SER HA H 4.492 0.030 1 2 6 6 SER HB2 H 3.883 0.030 2 3 6 6 SER HB3 H 3.845 0.030 2 4 6 6 SER CA C 58.437 0.300 1 5 6 6 SER CB C 63.927 0.300 1 6 7 7 GLY H H 8.452 0.030 1 7 7 7 GLY HA2 H 3.924 0.030 1 8 7 7 GLY HA3 H 3.924 0.030 1 9 7 7 GLY CA C 45.391 0.300 1 10 7 7 GLY N N 110.398 0.300 1 11 8 8 ASN H H 8.251 0.030 1 12 8 8 ASN HA H 4.639 0.030 1 13 8 8 ASN HB2 H 2.869 0.030 2 14 8 8 ASN HB3 H 2.774 0.030 2 15 8 8 ASN HD21 H 7.629 0.030 2 16 8 8 ASN HD22 H 6.963 0.030 2 17 8 8 ASN C C 175.277 0.300 1 18 8 8 ASN CA C 52.778 0.300 1 19 8 8 ASN CB C 38.638 0.300 1 20 8 8 ASN N N 119.087 0.300 1 21 8 8 ASN ND2 N 112.295 0.300 1 22 9 9 ARG H H 8.419 0.030 1 23 9 9 ARG HA H 3.929 0.030 1 24 9 9 ARG HB2 H 1.829 0.030 2 25 9 9 ARG HB3 H 1.688 0.030 2 26 9 9 ARG HD2 H 3.199 0.030 2 27 9 9 ARG HD3 H 3.013 0.030 2 28 9 9 ARG HE H 6.936 0.030 1 29 9 9 ARG HG2 H 1.551 0.030 2 30 9 9 ARG HG3 H 1.145 0.030 2 31 9 9 ARG C C 176.366 0.300 1 32 9 9 ARG CA C 57.872 0.300 1 33 9 9 ARG CB C 30.623 0.300 1 34 9 9 ARG CD C 43.766 0.300 1 35 9 9 ARG CG C 27.903 0.300 1 36 9 9 ARG N N 120.338 0.300 1 37 10 10 ALA H H 7.948 0.030 1 38 10 10 ALA HA H 4.260 0.030 1 39 10 10 ALA HB H 1.384 0.030 1 40 10 10 ALA C C 177.707 0.300 1 41 10 10 ALA CA C 53.361 0.300 1 42 10 10 ALA CB C 18.983 0.300 1 43 10 10 ALA N N 121.309 0.300 1 44 11 11 ASN H H 8.045 0.030 1 45 11 11 ASN HA H 4.965 0.030 1 46 11 11 ASN HB2 H 2.773 0.030 2 47 11 11 ASN HB3 H 2.634 0.030 2 48 11 11 ASN HD21 H 7.669 0.030 2 49 11 11 ASN HD22 H 6.887 0.030 2 50 11 11 ASN CA C 51.990 0.300 1 51 11 11 ASN CB C 38.811 0.300 1 52 11 11 ASN N N 115.134 0.300 1 53 11 11 ASN ND2 N 112.975 0.300 1 54 12 12 PRO HA H 4.445 0.030 1 55 12 12 PRO HB2 H 2.110 0.030 2 56 12 12 PRO HB3 H 1.852 0.030 2 57 12 12 PRO HD2 H 3.833 0.030 2 58 12 12 PRO HD3 H 3.631 0.030 2 59 12 12 PRO HG2 H 2.246 0.030 1 60 12 12 PRO HG3 H 2.246 0.030 1 61 12 12 PRO C C 176.478 0.300 1 62 12 12 PRO CA C 63.012 0.300 1 63 12 12 PRO CB C 32.981 0.300 1 64 12 12 PRO CD C 50.513 0.300 1 65 12 12 PRO CG C 28.487 0.300 1 66 13 13 ASP H H 8.334 0.030 1 67 13 13 ASP HA H 4.675 0.030 1 68 13 13 ASP HB2 H 2.541 0.030 2 69 13 13 ASP HB3 H 2.354 0.030 2 70 13 13 ASP CA C 52.528 0.300 1 71 13 13 ASP CB C 40.248 0.300 1 72 13 13 ASP N N 121.601 0.300 1 73 14 14 PRO HB2 H 1.366 0.030 2 74 14 14 PRO HB3 H 1.308 0.030 2 75 14 14 PRO HD2 H 3.812 0.030 2 76 14 14 PRO HD3 H 3.416 0.030 2 77 14 14 PRO HG2 H 1.907 0.030 2 78 14 14 PRO HG3 H 1.655 0.030 2 79 14 14 PRO CB C 32.099 0.300 1 80 14 14 PRO CD C 50.355 0.300 1 81 14 14 PRO CG C 27.484 0.300 1 82 15 15 ASN H H 7.478 0.030 1 83 15 15 ASN HA H 4.588 0.030 1 84 15 15 ASN HB2 H 3.082 0.030 2 85 15 15 ASN HB3 H 2.815 0.030 2 86 15 15 ASN HD21 H 7.610 0.030 2 87 15 15 ASN HD22 H 6.870 0.030 2 88 15 15 ASN C C 171.925 0.300 1 89 15 15 ASN CA C 52.497 0.300 1 90 15 15 ASN CB C 40.873 0.300 1 91 15 15 ASN N N 114.898 0.300 1 92 15 15 ASN ND2 N 112.393 0.300 1 93 16 16 CYS H H 8.489 0.030 1 94 16 16 CYS HA H 4.105 0.030 1 95 16 16 CYS HB2 H 3.346 0.030 2 96 16 16 CYS HB3 H 3.155 0.030 2 97 16 16 CYS C C 172.162 0.300 1 98 16 16 CYS CA C 62.010 0.300 1 99 16 16 CYS CB C 27.691 0.300 1 100 16 16 CYS N N 115.351 0.300 1 101 17 17 CYS H H 8.287 0.030 1 102 17 17 CYS HA H 5.017 0.030 1 103 17 17 CYS HB2 H 2.885 0.030 2 104 17 17 CYS HB3 H 2.455 0.030 2 105 17 17 CYS C C 173.028 0.300 1 106 17 17 CYS CA C 57.112 0.300 1 107 17 17 CYS CB C 29.512 0.300 1 108 17 17 CYS N N 120.838 0.300 1 109 18 18 LEU H H 9.331 0.030 1 110 18 18 LEU HA H 4.909 0.030 1 111 18 18 LEU HB2 H 1.309 0.030 2 112 18 18 LEU HB3 H 1.052 0.030 2 113 18 18 LEU HD1 H 0.725 0.030 1 114 18 18 LEU HD2 H 0.619 0.030 1 115 18 18 LEU HG H 1.727 0.030 1 116 18 18 LEU C C 176.674 0.300 1 117 18 18 LEU CA C 52.786 0.300 1 118 18 18 LEU CB C 43.294 0.300 1 119 18 18 LEU CD1 C 26.685 0.300 2 120 18 18 LEU CD2 C 24.310 0.300 2 121 18 18 LEU CG C 26.664 0.300 1 122 18 18 LEU N N 128.228 0.300 1 123 19 19 GLY H H 9.030 0.030 1 124 19 19 GLY HA2 H 3.569 0.030 2 125 19 19 GLY HA3 H 2.136 0.030 2 126 19 19 GLY C C 170.402 0.300 1 127 19 19 GLY CA C 44.998 0.300 1 128 19 19 GLY N N 108.964 0.300 1 129 20 20 VAL H H 7.778 0.030 1 130 20 20 VAL HA H 4.040 0.030 1 131 20 20 VAL HB H 1.239 0.030 1 132 20 20 VAL HG1 H 0.665 0.030 1 133 20 20 VAL HG2 H 0.205 0.030 1 134 20 20 VAL C C 173.112 0.300 1 135 20 20 VAL CA C 60.621 0.300 1 136 20 20 VAL CB C 32.580 0.300 1 137 20 20 VAL CG1 C 23.014 0.300 2 138 20 20 VAL CG2 C 20.779 0.300 2 139 20 20 VAL N N 123.963 0.300 1 140 21 21 PHE H H 9.192 0.030 1 141 21 21 PHE HA H 4.499 0.030 1 142 21 21 PHE HB2 H 2.291 0.030 2 143 21 21 PHE HB3 H 1.859 0.030 2 144 21 21 PHE HD1 H 6.040 0.030 1 145 21 21 PHE HD2 H 6.040 0.030 1 146 21 21 PHE HE1 H 5.879 0.030 1 147 21 21 PHE HE2 H 5.879 0.030 1 148 21 21 PHE C C 175.724 0.300 1 149 21 21 PHE CA C 55.484 0.300 1 150 21 21 PHE CB C 41.559 0.300 1 151 21 21 PHE CD1 C 131.262 0.300 1 152 21 21 PHE CD2 C 131.262 0.300 1 153 21 21 PHE CE1 C 128.697 0.300 1 154 21 21 PHE CE2 C 128.697 0.300 1 155 21 21 PHE N N 122.822 0.300 1 156 22 22 GLY H H 9.925 0.030 1 157 22 22 GLY HA2 H 4.018 0.030 2 158 22 22 GLY HA3 H 3.803 0.030 2 159 22 22 GLY C C 175.836 0.300 1 160 22 22 GLY CA C 45.380 0.300 1 161 22 22 GLY N N 108.461 0.300 1 162 23 23 LEU H H 7.566 0.030 1 163 23 23 LEU HA H 4.140 0.030 1 164 23 23 LEU HB2 H 1.298 0.030 2 165 23 23 LEU HB3 H 1.053 0.030 2 166 23 23 LEU HD1 H 0.273 0.030 1 167 23 23 LEU HD2 H 0.672 0.030 1 168 23 23 LEU HG H 1.172 0.030 1 169 23 23 LEU C C 179.076 0.300 1 170 23 23 LEU CA C 54.013 0.300 1 171 23 23 LEU CB C 43.373 0.300 1 172 23 23 LEU CD1 C 26.373 0.300 2 173 23 23 LEU CD2 C 24.075 0.300 2 174 23 23 LEU CG C 26.498 0.300 1 175 23 23 LEU N N 115.324 0.300 1 176 24 24 SER H H 9.296 0.030 1 177 24 24 SER HA H 4.297 0.030 1 178 24 24 SER HB2 H 4.130 0.030 1 179 24 24 SER HB3 H 4.130 0.030 1 180 24 24 SER C C 176.632 0.300 1 181 24 24 SER CA C 57.494 0.300 1 182 24 24 SER CB C 63.529 0.300 1 183 24 24 SER N N 114.727 0.300 1 184 25 25 LEU H H 9.032 0.030 1 185 25 25 LEU HA H 3.824 0.030 1 186 25 25 LEU HB2 H 1.257 0.030 1 187 25 25 LEU HB3 H 1.257 0.030 1 188 25 25 LEU HD1 H 0.818 0.030 1 189 25 25 LEU HD2 H 0.600 0.030 1 190 25 25 LEU HG H 1.639 0.030 1 191 25 25 LEU C C 176.436 0.300 1 192 25 25 LEU CA C 56.529 0.300 1 193 25 25 LEU CB C 39.672 0.300 1 194 25 25 LEU CD1 C 24.880 0.300 2 195 25 25 LEU CD2 C 21.153 0.300 2 196 25 25 LEU CG C 26.825 0.300 1 197 25 25 LEU N N 125.520 0.300 1 198 26 26 TYR H H 7.865 0.030 1 199 26 26 TYR HA H 4.512 0.030 1 200 26 26 TYR HB2 H 3.249 0.030 2 201 26 26 TYR HB3 H 2.685 0.030 2 202 26 26 TYR HD1 H 7.089 0.030 1 203 26 26 TYR HD2 H 7.089 0.030 1 204 26 26 TYR HE1 H 6.808 0.030 1 205 26 26 TYR HE2 H 6.808 0.030 1 206 26 26 TYR C C 176.073 0.300 1 207 26 26 TYR CA C 57.184 0.300 1 208 26 26 TYR CB C 38.498 0.300 1 209 26 26 TYR CD1 C 133.003 0.300 1 210 26 26 TYR CD2 C 133.003 0.300 1 211 26 26 TYR CE1 C 118.121 0.300 1 212 26 26 TYR CE2 C 118.121 0.300 1 213 26 26 TYR N N 115.227 0.300 1 214 27 27 THR H H 7.047 0.030 1 215 27 27 THR HA H 4.300 0.030 1 216 27 27 THR HB H 3.781 0.030 1 217 27 27 THR HG2 H 1.238 0.030 1 218 27 27 THR C C 174.676 0.300 1 219 27 27 THR CA C 64.637 0.300 1 220 27 27 THR CB C 69.225 0.300 1 221 27 27 THR CG2 C 23.248 0.300 1 222 27 27 THR N N 119.897 0.300 1 223 28 28 THR H H 9.224 0.030 1 224 28 28 THR HA H 4.528 0.030 1 225 28 28 THR HB H 4.690 0.030 1 226 28 28 THR HG2 H 1.353 0.030 1 227 28 28 THR C C 175.347 0.300 1 228 28 28 THR CA C 60.435 0.300 1 229 28 28 THR CB C 72.794 0.300 1 230 28 28 THR CG2 C 21.691 0.300 1 231 28 28 THR N N 119.989 0.300 1 232 29 29 GLU H H 9.465 0.030 1 233 29 29 GLU HA H 3.611 0.030 1 234 29 29 GLU HB2 H 2.159 0.030 2 235 29 29 GLU HB3 H 1.905 0.030 2 236 29 29 GLU HG2 H 2.413 0.030 2 237 29 29 GLU HG3 H 2.227 0.030 2 238 29 29 GLU C C 178.392 0.300 1 239 29 29 GLU CA C 60.897 0.300 1 240 29 29 GLU CB C 28.623 0.300 1 241 29 29 GLU CG C 37.248 0.300 1 242 29 29 GLU N N 121.212 0.300 1 243 30 30 ARG H H 8.246 0.030 1 244 30 30 ARG HA H 3.924 0.030 1 245 30 30 ARG HB2 H 1.904 0.030 2 246 30 30 ARG HB3 H 1.705 0.030 2 247 30 30 ARG HD2 H 3.173 0.030 2 248 30 30 ARG HD3 H 3.128 0.030 2 249 30 30 ARG HG2 H 1.695 0.030 2 250 30 30 ARG HG3 H 1.582 0.030 2 251 30 30 ARG C C 178.420 0.300 1 252 30 30 ARG CA C 59.387 0.300 1 253 30 30 ARG CB C 29.748 0.300 1 254 30 30 ARG CD C 43.294 0.300 1 255 30 30 ARG CG C 26.705 0.300 1 256 30 30 ARG N N 119.414 0.300 1 257 31 31 ASP H H 7.516 0.030 1 258 31 31 ASP HA H 4.335 0.030 1 259 31 31 ASP HB2 H 3.069 0.030 2 260 31 31 ASP HB3 H 2.612 0.030 2 261 31 31 ASP C C 178.880 0.300 1 262 31 31 ASP CA C 57.261 0.300 1 263 31 31 ASP CB C 40.981 0.300 1 264 31 31 ASP N N 119.664 0.300 1 265 32 32 LEU H H 7.687 0.030 1 266 32 32 LEU HA H 4.047 0.030 1 267 32 32 LEU HB2 H 1.878 0.030 2 268 32 32 LEU HB3 H 1.153 0.030 2 269 32 32 LEU HD1 H 0.397 0.030 1 270 32 32 LEU HD2 H 0.612 0.030 1 271 32 32 LEU HG H 1.545 0.030 1 272 32 32 LEU C C 178.950 0.300 1 273 32 32 LEU CA C 57.497 0.300 1 274 32 32 LEU CB C 42.700 0.300 1 275 32 32 LEU CD1 C 26.294 0.300 2 276 32 32 LEU CD2 C 23.637 0.300 2 277 32 32 LEU CG C 26.623 0.300 1 278 32 32 LEU N N 117.787 0.300 1 279 33 33 ARG H H 8.766 0.030 1 280 33 33 ARG HA H 3.703 0.030 1 281 33 33 ARG HB2 H 1.909 0.030 1 282 33 33 ARG HB3 H 1.909 0.030 1 283 33 33 ARG HD2 H 3.258 0.030 2 284 33 33 ARG HD3 H 3.061 0.030 2 285 33 33 ARG HE H 7.924 0.030 1 286 33 33 ARG HG2 H 1.525 0.030 2 287 33 33 ARG HG3 H 1.463 0.030 2 288 33 33 ARG C C 178.601 0.300 1 289 33 33 ARG CA C 60.637 0.300 1 290 33 33 ARG CB C 30.123 0.300 1 291 33 33 ARG CD C 43.014 0.300 1 292 33 33 ARG CG C 29.606 0.300 1 293 33 33 ARG N N 120.179 0.300 1 294 33 33 ARG NE N 116.458 0.300 1 295 34 34 GLU H H 8.125 0.030 1 296 34 34 GLU HA H 3.941 0.030 1 297 34 34 GLU HB2 H 2.145 0.030 2 298 34 34 GLU HB3 H 2.115 0.030 2 299 34 34 GLU HG2 H 2.333 0.030 2 300 34 34 GLU HG3 H 2.254 0.030 2 301 34 34 GLU C C 178.671 0.300 1 302 34 34 GLU CA C 59.576 0.300 1 303 34 34 GLU CB C 29.263 0.300 1 304 34 34 GLU CG C 36.123 0.300 1 305 34 34 GLU N N 119.477 0.300 1 306 35 35 VAL H H 7.474 0.030 1 307 35 35 VAL HA H 3.702 0.030 1 308 35 35 VAL HB H 1.958 0.030 1 309 35 35 VAL HG1 H 1.019 0.030 1 310 35 35 VAL HG2 H 0.424 0.030 1 311 35 35 VAL C C 178.252 0.300 1 312 35 35 VAL CA C 65.536 0.300 1 313 35 35 VAL CB C 32.708 0.300 1 314 35 35 VAL CG1 C 22.489 0.300 2 315 35 35 VAL CG2 C 20.997 0.300 2 316 35 35 VAL N N 116.227 0.300 1 317 36 36 PHE H H 8.469 0.030 1 318 36 36 PHE HA H 4.473 0.030 1 319 36 36 PHE HB2 H 3.313 0.030 2 320 36 36 PHE HB3 H 2.769 0.030 2 321 36 36 PHE HD1 H 7.574 0.030 1 322 36 36 PHE HD2 H 7.574 0.030 1 323 36 36 PHE HE1 H 6.878 0.030 1 324 36 36 PHE HE2 H 6.878 0.030 1 325 36 36 PHE HZ H 6.844 0.030 1 326 36 36 PHE C C 177.386 0.300 1 327 36 36 PHE CA C 62.942 0.300 1 328 36 36 PHE CB C 38.570 0.300 1 329 36 36 PHE CD1 C 131.019 0.300 1 330 36 36 PHE CD2 C 131.019 0.300 1 331 36 36 PHE CE1 C 130.394 0.300 1 332 36 36 PHE CE2 C 130.394 0.300 1 333 36 36 PHE CZ C 129.378 0.300 1 334 36 36 PHE N N 114.853 0.300 1 335 37 37 SER H H 8.426 0.030 1 336 37 37 SER HA H 4.763 0.030 1 337 37 37 SER HB2 H 4.060 0.030 2 338 37 37 SER HB3 H 3.988 0.030 2 339 37 37 SER C C 175.542 0.300 1 340 37 37 SER CA C 60.980 0.300 1 341 37 37 SER CB C 62.865 0.300 1 342 37 37 SER N N 115.164 0.300 1 343 38 38 LYS H H 6.939 0.030 1 344 38 38 LYS HA H 3.930 0.030 1 345 38 38 LYS HB2 H 1.298 0.030 1 346 38 38 LYS HB3 H 1.298 0.030 1 347 38 38 LYS HD2 H 1.442 0.030 1 348 38 38 LYS HD3 H 1.442 0.030 1 349 38 38 LYS HE2 H 2.828 0.030 1 350 38 38 LYS HE3 H 2.828 0.030 1 351 38 38 LYS HG2 H 1.051 0.030 2 352 38 38 LYS HG3 H 0.943 0.030 2 353 38 38 LYS C C 177.456 0.300 1 354 38 38 LYS CA C 57.698 0.300 1 355 38 38 LYS CB C 31.445 0.300 1 356 38 38 LYS CD C 28.517 0.300 1 357 38 38 LYS CE C 41.854 0.300 1 358 38 38 LYS CG C 23.756 0.300 1 359 38 38 LYS N N 119.337 0.300 1 360 39 39 TYR H H 7.632 0.030 1 361 39 39 TYR HA H 4.401 0.030 1 362 39 39 TYR HB2 H 3.311 0.030 2 363 39 39 TYR HB3 H 2.986 0.030 2 364 39 39 TYR HD1 H 7.376 0.030 1 365 39 39 TYR HD2 H 7.376 0.030 1 366 39 39 TYR HE1 H 6.449 0.030 1 367 39 39 TYR HE2 H 6.449 0.030 1 368 39 39 TYR C C 174.592 0.300 1 369 39 39 TYR CA C 59.003 0.300 1 370 39 39 TYR CB C 38.585 0.300 1 371 39 39 TYR CD1 C 132.925 0.300 1 372 39 39 TYR CD2 C 132.925 0.300 1 373 39 39 TYR CE1 C 117.946 0.300 1 374 39 39 TYR CE2 C 117.946 0.300 1 375 39 39 TYR N N 116.275 0.300 1 376 40 40 GLY H H 7.338 0.030 1 377 40 40 GLY HA2 H 4.894 0.030 2 378 40 40 GLY HA3 H 3.874 0.030 2 379 40 40 GLY C C 169.718 0.300 1 380 40 40 GLY CA C 44.616 0.300 1 381 40 40 GLY N N 106.506 0.300 1 382 41 41 PRO HA H 4.420 0.030 1 383 41 41 PRO HB2 H 2.230 0.030 2 384 41 41 PRO HB3 H 1.866 0.030 2 385 41 41 PRO HD2 H 3.894 0.030 2 386 41 41 PRO HD3 H 3.559 0.030 2 387 41 41 PRO HG2 H 2.189 0.030 2 388 41 41 PRO HG3 H 2.022 0.030 2 389 41 41 PRO C C 177.386 0.300 1 390 41 41 PRO CA C 63.182 0.300 1 391 41 41 PRO CB C 32.163 0.300 1 392 41 41 PRO CD C 49.495 0.300 1 393 41 41 PRO CG C 27.989 0.300 1 394 42 42 ILE H H 8.556 0.030 1 395 42 42 ILE HA H 4.052 0.030 1 396 42 42 ILE HB H 1.641 0.030 1 397 42 42 ILE HD1 H 0.156 0.030 1 398 42 42 ILE HG12 H 1.320 0.030 2 399 42 42 ILE HG13 H 0.715 0.030 2 400 42 42 ILE HG2 H 0.452 0.030 1 401 42 42 ILE C C 176.227 0.300 1 402 42 42 ILE CA C 58.990 0.300 1 403 42 42 ILE CB C 39.614 0.300 1 404 42 42 ILE CD1 C 12.398 0.300 1 405 42 42 ILE CG1 C 27.114 0.300 1 406 42 42 ILE CG2 C 18.254 0.300 1 407 42 42 ILE N N 124.210 0.300 1 408 43 43 ALA H H 9.184 0.030 1 409 43 43 ALA HA H 4.390 0.030 1 410 43 43 ALA HB H 1.207 0.030 1 411 43 43 ALA C C 177.316 0.300 1 412 43 43 ALA CA C 53.260 0.300 1 413 43 43 ALA CB C 19.756 0.300 1 414 43 43 ALA N N 131.335 0.300 1 415 44 44 ASP H H 7.605 0.030 1 416 44 44 ASP HA H 4.662 0.030 1 417 44 44 ASP HB2 H 2.514 0.030 2 418 44 44 ASP HB3 H 2.103 0.030 2 419 44 44 ASP C C 173.671 0.300 1 420 44 44 ASP CA C 54.246 0.300 1 421 44 44 ASP CB C 43.912 0.300 1 422 44 44 ASP N N 114.712 0.300 1 423 45 45 VAL H H 8.203 0.030 1 424 45 45 VAL HA H 4.689 0.030 1 425 45 45 VAL HB H 1.870 0.030 1 426 45 45 VAL HG1 H 0.804 0.030 1 427 45 45 VAL HG2 H 0.788 0.030 1 428 45 45 VAL C C 173.922 0.300 1 429 45 45 VAL CA C 61.893 0.300 1 430 45 45 VAL CB C 35.396 0.300 1 431 45 45 VAL CG1 C 22.555 0.300 2 432 45 45 VAL CG2 C 22.112 0.300 2 433 45 45 VAL N N 121.085 0.300 1 434 46 46 SER H H 9.172 0.030 1 435 46 46 SER HA H 4.979 0.030 1 436 46 46 SER HB2 H 3.956 0.030 2 437 46 46 SER HB3 H 3.786 0.030 2 438 46 46 SER C C 174.076 0.300 1 439 46 46 SER CA C 56.633 0.300 1 440 46 46 SER CB C 65.377 0.300 1 441 46 46 SER N N 121.554 0.300 1 442 47 47 ILE H H 8.919 0.030 1 443 47 47 ILE HA H 3.653 0.030 1 444 47 47 ILE HB H 1.513 0.030 1 445 47 47 ILE HD1 H 0.480 0.030 1 446 47 47 ILE HG12 H 1.275 0.030 2 447 47 47 ILE HG13 H 0.665 0.030 2 448 47 47 ILE HG2 H 0.086 0.030 1 449 47 47 ILE C C 174.355 0.300 1 450 47 47 ILE CA C 61.005 0.300 1 451 47 47 ILE CB C 37.892 0.300 1 452 47 47 ILE CD1 C 12.662 0.300 1 453 47 47 ILE CG1 C 29.644 0.300 1 454 47 47 ILE CG2 C 16.260 0.300 1 455 47 47 ILE N N 127.992 0.300 1 456 48 48 VAL H H 7.525 0.030 1 457 48 48 VAL HA H 3.779 0.030 1 458 48 48 VAL HB H 0.560 0.030 1 459 48 48 VAL HG1 H 0.668 0.030 1 460 48 48 VAL HG2 H 0.565 0.030 1 461 48 48 VAL C C 173.796 0.300 1 462 48 48 VAL CA C 62.932 0.300 1 463 48 48 VAL CB C 30.300 0.300 1 464 48 48 VAL CG1 C 22.508 0.300 2 465 48 48 VAL CG2 C 21.826 0.300 2 466 48 48 VAL N N 127.005 0.300 1 467 49 49 TYR H H 8.483 0.030 1 468 49 49 TYR HA H 4.700 0.030 1 469 49 49 TYR HB2 H 2.551 0.030 2 470 49 49 TYR HB3 H 2.482 0.030 2 471 49 49 TYR HD1 H 6.835 0.030 1 472 49 49 TYR HD2 H 6.835 0.030 1 473 49 49 TYR HE1 H 6.694 0.030 1 474 49 49 TYR HE2 H 6.694 0.030 1 475 49 49 TYR C C 176.380 0.300 1 476 49 49 TYR CA C 57.200 0.300 1 477 49 49 TYR CB C 40.903 0.300 1 478 49 49 TYR CD1 C 133.315 0.300 1 479 49 49 TYR CD2 C 133.315 0.300 1 480 49 49 TYR CE1 C 117.643 0.300 1 481 49 49 TYR CE2 C 117.643 0.300 1 482 49 49 TYR N N 125.572 0.300 1 483 50 50 ASP H H 8.965 0.030 1 484 50 50 ASP HA H 4.526 0.030 1 485 50 50 ASP HB2 H 3.052 0.030 2 486 50 50 ASP HB3 H 2.500 0.030 2 487 50 50 ASP C C 177.302 0.300 1 488 50 50 ASP CA C 54.075 0.300 1 489 50 50 ASP CB C 42.604 0.300 1 490 50 50 ASP N N 123.448 0.300 1 491 51 51 GLN H H 9.158 0.030 1 492 51 51 GLN HA H 3.984 0.030 1 493 51 51 GLN HB2 H 2.153 0.030 2 494 51 51 GLN HB3 H 2.100 0.030 2 495 51 51 GLN HE21 H 7.599 0.030 2 496 51 51 GLN HE22 H 6.999 0.030 2 497 51 51 GLN HG2 H 2.482 0.030 1 498 51 51 GLN HG3 H 2.482 0.030 1 499 51 51 GLN C C 176.785 0.300 1 500 51 51 GLN CA C 58.448 0.300 1 501 51 51 GLN CB C 28.669 0.300 1 502 51 51 GLN CG C 33.996 0.300 1 503 51 51 GLN N N 126.273 0.300 1 504 51 51 GLN NE2 N 112.978 0.300 1 505 52 52 GLN H H 8.533 0.030 1 506 52 52 GLN HA H 4.287 0.030 1 507 52 52 GLN HB2 H 2.162 0.030 1 508 52 52 GLN HB3 H 2.162 0.030 1 509 52 52 GLN HE21 H 7.675 0.030 2 510 52 52 GLN HE22 H 6.923 0.030 2 511 52 52 GLN HG2 H 2.401 0.030 2 512 52 52 GLN HG3 H 2.362 0.030 2 513 52 52 GLN C C 177.135 0.300 1 514 52 52 GLN CA C 57.855 0.300 1 515 52 52 GLN CB C 29.021 0.300 1 516 52 52 GLN CG C 34.265 0.300 1 517 52 52 GLN N N 116.963 0.300 1 518 52 52 GLN NE2 N 112.727 0.300 1 519 53 53 SER H H 8.526 0.030 1 520 53 53 SER HA H 4.349 0.030 1 521 53 53 SER HB2 H 3.951 0.030 2 522 53 53 SER HB3 H 3.828 0.030 2 523 53 53 SER C C 175.165 0.300 1 524 53 53 SER CA C 58.828 0.300 1 525 53 53 SER CB C 64.761 0.300 1 526 53 53 SER N N 113.970 0.300 1 527 54 54 ARG H H 8.070 0.030 1 528 54 54 ARG HA H 3.922 0.030 1 529 54 54 ARG HB2 H 2.083 0.030 2 530 54 54 ARG HB3 H 1.945 0.030 2 531 54 54 ARG HD2 H 3.091 0.030 2 532 54 54 ARG HD3 H 3.036 0.030 2 533 54 54 ARG HG2 H 1.535 0.030 2 534 54 54 ARG HG3 H 1.433 0.030 2 535 54 54 ARG C C 174.802 0.300 1 536 54 54 ARG CA C 57.167 0.300 1 537 54 54 ARG CB C 26.529 0.300 1 538 54 54 ARG CD C 42.574 0.300 1 539 54 54 ARG CG C 26.761 0.300 1 540 54 54 ARG N N 116.277 0.300 1 541 55 55 ARG H H 7.823 0.030 1 542 55 55 ARG HA H 4.496 0.030 1 543 55 55 ARG HB2 H 1.844 0.030 2 544 55 55 ARG HB3 H 1.655 0.030 2 545 55 55 ARG HD2 H 3.165 0.030 1 546 55 55 ARG HD3 H 3.165 0.030 1 547 55 55 ARG HG2 H 1.656 0.030 1 548 55 55 ARG HG3 H 1.656 0.030 1 549 55 55 ARG C C 176.073 0.300 1 550 55 55 ARG CA C 55.184 0.300 1 551 55 55 ARG CB C 32.029 0.300 1 552 55 55 ARG CD C 43.421 0.300 1 553 55 55 ARG CG C 27.248 0.300 1 554 55 55 ARG N N 118.303 0.300 1 555 56 56 SER H H 8.850 0.030 1 556 56 56 SER HA H 3.862 0.030 1 557 56 56 SER HB2 H 3.808 0.030 2 558 56 56 SER HB3 H 3.737 0.030 2 559 56 56 SER C C 175.500 0.300 1 560 56 56 SER CA C 58.075 0.300 1 561 56 56 SER CB C 64.027 0.300 1 562 56 56 SER N N 116.978 0.300 1 563 57 57 ARG H H 9.169 0.030 1 564 57 57 ARG HA H 4.286 0.030 1 565 57 57 ARG HB2 H 2.221 0.030 2 566 57 57 ARG HB3 H 1.033 0.030 2 567 57 57 ARG HD2 H 3.331 0.030 2 568 57 57 ARG HD3 H 2.948 0.030 2 569 57 57 ARG HE H 7.533 0.030 1 570 57 57 ARG HG2 H 1.626 0.030 1 571 57 57 ARG HG3 H 1.626 0.030 1 572 57 57 ARG C C 178.294 0.300 1 573 57 57 ARG CA C 56.590 0.300 1 574 57 57 ARG CB C 30.449 0.300 1 575 57 57 ARG CD C 43.497 0.300 1 576 57 57 ARG CG C 28.108 0.300 1 577 57 57 ARG N N 122.477 0.300 1 578 58 58 GLY H H 9.274 0.030 1 579 58 58 GLY HA2 H 3.812 0.030 2 580 58 58 GLY HA3 H 2.998 0.030 2 581 58 58 GLY C C 171.631 0.300 1 582 58 58 GLY CA C 46.404 0.300 1 583 58 58 GLY N N 108.367 0.300 1 584 59 59 PHE H H 6.882 0.030 1 585 59 59 PHE HA H 4.904 0.030 1 586 59 59 PHE HB2 H 3.410 0.030 2 587 59 59 PHE HB3 H 2.203 0.030 2 588 59 59 PHE HD1 H 6.525 0.030 1 589 59 59 PHE HD2 H 6.525 0.030 1 590 59 59 PHE HE1 H 7.112 0.030 1 591 59 59 PHE HE2 H 7.112 0.030 1 592 59 59 PHE HZ H 7.216 0.030 1 593 59 59 PHE C C 171.631 0.300 1 594 59 59 PHE CA C 55.201 0.300 1 595 59 59 PHE CB C 41.120 0.300 1 596 59 59 PHE CD1 C 132.909 0.300 1 597 59 59 PHE CD2 C 132.909 0.300 1 598 59 59 PHE CE1 C 130.315 0.300 1 599 59 59 PHE CE2 C 130.315 0.300 1 600 59 59 PHE CZ C 128.628 0.300 1 601 59 59 PHE N N 111.370 0.300 1 602 60 60 ALA H H 8.221 0.030 1 603 60 60 ALA HA H 4.453 0.030 1 604 60 60 ALA HB H 0.640 0.030 1 605 60 60 ALA C C 172.385 0.300 1 606 60 60 ALA CA C 49.590 0.300 1 607 60 60 ALA CB C 26.512 0.300 1 608 60 60 ALA N N 119.348 0.300 1 609 61 61 PHE H H 8.173 0.030 1 610 61 61 PHE HA H 4.993 0.030 1 611 61 61 PHE HB2 H 2.190 0.030 2 612 61 61 PHE HB3 H 2.060 0.030 2 613 61 61 PHE HD1 H 6.246 0.030 1 614 61 61 PHE HD2 H 6.246 0.030 1 615 61 61 PHE HE1 H 6.245 0.030 1 616 61 61 PHE HE2 H 6.245 0.030 1 617 61 61 PHE HZ H 6.643 0.030 1 618 61 61 PHE C C 174.606 0.300 1 619 61 61 PHE CA C 56.603 0.300 1 620 61 61 PHE CB C 42.945 0.300 1 621 61 61 PHE CD1 C 130.585 0.300 1 622 61 61 PHE CD2 C 130.585 0.300 1 623 61 61 PHE CE1 C 128.878 0.300 1 624 61 61 PHE CE2 C 128.878 0.300 1 625 61 61 PHE CZ C 127.744 0.300 1 626 61 61 PHE N N 114.103 0.300 1 627 62 62 VAL H H 8.990 0.030 1 628 62 62 VAL HA H 4.185 0.030 1 629 62 62 VAL HB H 1.277 0.030 1 630 62 62 VAL HG1 H 0.200 0.030 1 631 62 62 VAL HG2 H 0.133 0.030 1 632 62 62 VAL C C 173.447 0.300 1 633 62 62 VAL CA C 61.064 0.300 1 634 62 62 VAL CB C 34.310 0.300 1 635 62 62 VAL CG1 C 21.512 0.300 2 636 62 62 VAL CG2 C 20.381 0.300 2 637 62 62 VAL N N 123.321 0.300 1 638 63 63 TYR H H 8.992 0.030 1 639 63 63 TYR HA H 4.824 0.030 1 640 63 63 TYR HB2 H 2.939 0.030 2 641 63 63 TYR HB3 H 2.847 0.030 2 642 63 63 TYR HD1 H 7.040 0.030 1 643 63 63 TYR HD2 H 7.040 0.030 1 644 63 63 TYR HE1 H 6.804 0.030 1 645 63 63 TYR HE2 H 6.804 0.030 1 646 63 63 TYR C C 175.696 0.300 1 647 63 63 TYR CA C 57.243 0.300 1 648 63 63 TYR CB C 38.874 0.300 1 649 63 63 TYR CD1 C 133.190 0.300 1 650 63 63 TYR CD2 C 133.190 0.300 1 651 63 63 TYR CE1 C 119.231 0.300 1 652 63 63 TYR CE2 C 119.231 0.300 1 653 63 63 TYR N N 125.423 0.300 1 654 64 64 PHE H H 9.161 0.030 1 655 64 64 PHE HA H 4.619 0.030 1 656 64 64 PHE HB2 H 3.764 0.030 2 657 64 64 PHE HB3 H 3.025 0.030 2 658 64 64 PHE HD1 H 7.349 0.030 1 659 64 64 PHE HD2 H 7.349 0.030 1 660 64 64 PHE HE1 H 7.129 0.030 1 661 64 64 PHE HE2 H 7.129 0.030 1 662 64 64 PHE HZ H 7.467 0.030 1 663 64 64 PHE C C 176.045 0.300 1 664 64 64 PHE CA C 59.136 0.300 1 665 64 64 PHE CB C 39.896 0.300 1 666 64 64 PHE CD1 C 131.565 0.300 1 667 64 64 PHE CD2 C 131.565 0.300 1 668 64 64 PHE CE1 C 131.284 0.300 1 669 64 64 PHE CE2 C 131.284 0.300 1 670 64 64 PHE CZ C 129.267 0.300 1 671 64 64 PHE N N 124.480 0.300 1 672 65 65 GLU H H 8.044 0.030 1 673 65 65 GLU HA H 4.218 0.030 1 674 65 65 GLU HB2 H 2.130 0.030 2 675 65 65 GLU HB3 H 1.981 0.030 2 676 65 65 GLU HG2 H 2.158 0.030 2 677 65 65 GLU HG3 H 2.147 0.030 2 678 65 65 GLU C C 176.953 0.300 1 679 65 65 GLU CA C 59.122 0.300 1 680 65 65 GLU CB C 30.300 0.300 1 681 65 65 GLU CG C 36.630 0.300 1 682 65 65 GLU N N 118.244 0.300 1 683 66 66 ASN H H 9.087 0.030 1 684 66 66 ASN HA H 5.103 0.030 1 685 66 66 ASN HB2 H 2.951 0.030 2 686 66 66 ASN HB3 H 2.761 0.030 2 687 66 66 ASN HD21 H 7.656 0.030 2 688 66 66 ASN HD22 H 7.289 0.030 2 689 66 66 ASN C C 175.850 0.300 1 690 66 66 ASN CA C 51.907 0.300 1 691 66 66 ASN CB C 41.137 0.300 1 692 66 66 ASN N N 115.884 0.300 1 693 66 66 ASN ND2 N 114.899 0.300 1 694 67 67 VAL H H 8.995 0.030 1 695 67 67 VAL HA H 3.646 0.030 1 696 67 67 VAL HB H 2.076 0.030 1 697 67 67 VAL HG1 H 0.798 0.030 1 698 67 67 VAL HG2 H 0.837 0.030 1 699 67 67 VAL C C 175.947 0.300 1 700 67 67 VAL CA C 65.436 0.300 1 701 67 67 VAL CB C 31.594 0.300 1 702 67 67 VAL CG1 C 22.136 0.300 2 703 67 67 VAL CG2 C 19.731 0.300 2 704 67 67 VAL N N 126.230 0.300 1 705 68 68 ASP H H 8.437 0.030 1 706 68 68 ASP HA H 4.341 0.030 1 707 68 68 ASP HB2 H 2.660 0.030 2 708 68 68 ASP HB3 H 2.583 0.030 2 709 68 68 ASP C C 178.908 0.300 1 710 68 68 ASP CA C 57.776 0.300 1 711 68 68 ASP CB C 39.755 0.300 1 712 68 68 ASP N N 121.522 0.300 1 713 69 69 ASP H H 7.354 0.030 1 714 69 69 ASP HA H 4.362 0.030 1 715 69 69 ASP HB2 H 2.924 0.030 2 716 69 69 ASP HB3 H 2.575 0.030 2 717 69 69 ASP C C 176.506 0.300 1 718 69 69 ASP CA C 56.549 0.300 1 719 69 69 ASP CB C 40.005 0.300 1 720 69 69 ASP N N 122.225 0.300 1 721 70 70 ALA H H 6.925 0.030 1 722 70 70 ALA HA H 2.938 0.030 1 723 70 70 ALA HB H 1.523 0.030 1 724 70 70 ALA C C 179.272 0.300 1 725 70 70 ALA CA C 54.668 0.300 1 726 70 70 ALA CB C 19.013 0.300 1 727 70 70 ALA N N 121.684 0.300 1 728 71 71 LYS H H 8.356 0.030 1 729 71 71 LYS HA H 4.032 0.030 1 730 71 71 LYS HB2 H 2.037 0.030 2 731 71 71 LYS HB3 H 1.969 0.030 2 732 71 71 LYS HD2 H 1.708 0.030 1 733 71 71 LYS HD3 H 1.708 0.030 1 734 71 71 LYS HE2 H 2.906 0.030 1 735 71 71 LYS HE3 H 2.906 0.030 1 736 71 71 LYS HG2 H 1.798 0.030 2 737 71 71 LYS HG3 H 1.542 0.030 2 738 71 71 LYS C C 178.727 0.300 1 739 71 71 LYS CA C 60.371 0.300 1 740 71 71 LYS CB C 32.762 0.300 1 741 71 71 LYS CD C 29.979 0.300 1 742 71 71 LYS CE C 41.814 0.300 1 743 71 71 LYS CG C 25.712 0.300 1 744 71 71 LYS N N 116.088 0.300 1 745 72 72 GLU H H 7.291 0.030 1 746 72 72 GLU HA H 4.058 0.030 1 747 72 72 GLU HB2 H 2.158 0.030 2 748 72 72 GLU HB3 H 2.094 0.030 2 749 72 72 GLU HG2 H 2.514 0.030 2 750 72 72 GLU HG3 H 2.263 0.030 2 751 72 72 GLU C C 177.721 0.300 1 752 72 72 GLU CA C 58.784 0.300 1 753 72 72 GLU CB C 29.301 0.300 1 754 72 72 GLU CG C 35.277 0.300 1 755 72 72 GLU N N 120.148 0.300 1 756 73 73 ALA H H 8.031 0.030 1 757 73 73 ALA HA H 2.321 0.030 1 758 73 73 ALA HB H 1.078 0.030 1 759 73 73 ALA C C 178.727 0.300 1 760 73 73 ALA CA C 54.386 0.300 1 761 73 73 ALA CB C 20.811 0.300 1 762 73 73 ALA N N 120.744 0.300 1 763 74 74 LYS H H 8.216 0.030 1 764 74 74 LYS HA H 3.423 0.030 1 765 74 74 LYS HB2 H 1.530 0.030 2 766 74 74 LYS HB3 H 1.470 0.030 2 767 74 74 LYS HD2 H 1.101 0.030 1 768 74 74 LYS HD3 H 1.101 0.030 1 769 74 74 LYS HE2 H 2.865 0.030 1 770 74 74 LYS HE3 H 2.865 0.030 1 771 74 74 LYS HG2 H 0.817 0.030 2 772 74 74 LYS HG3 H 0.311 0.030 2 773 74 74 LYS C C 177.973 0.300 1 774 74 74 LYS CA C 60.074 0.300 1 775 74 74 LYS CB C 31.704 0.300 1 776 74 74 LYS CD C 29.873 0.300 1 777 74 74 LYS CE C 42.496 0.300 1 778 74 74 LYS CG C 24.190 0.300 1 779 74 74 LYS N N 117.508 0.300 1 780 75 75 GLU H H 7.311 0.030 1 781 75 75 GLU HA H 3.997 0.030 1 782 75 75 GLU HB2 H 2.052 0.030 1 783 75 75 GLU HB3 H 2.052 0.030 1 784 75 75 GLU HG2 H 2.358 0.030 2 785 75 75 GLU HG3 H 2.327 0.030 2 786 75 75 GLU C C 179.104 0.300 1 787 75 75 GLU CA C 58.386 0.300 1 788 75 75 GLU CB C 29.872 0.300 1 789 75 75 GLU CG C 35.856 0.300 1 790 75 75 GLU N N 114.962 0.300 1 791 76 76 ARG H H 8.244 0.030 1 792 76 76 ARG HA H 4.216 0.030 1 793 76 76 ARG HB2 H 1.954 0.030 2 794 76 76 ARG HB3 H 1.614 0.030 2 795 76 76 ARG HD2 H 3.202 0.030 1 796 76 76 ARG HD3 H 3.202 0.030 1 797 76 76 ARG HE H 7.589 0.030 1 798 76 76 ARG HG2 H 1.802 0.030 1 799 76 76 ARG HG3 H 1.802 0.030 1 800 76 76 ARG C C 177.931 0.300 1 801 76 76 ARG CA C 57.379 0.300 1 802 76 76 ARG CB C 31.341 0.300 1 803 76 76 ARG CD C 43.294 0.300 1 804 76 76 ARG CG C 27.121 0.300 1 805 76 76 ARG N N 115.548 0.300 1 806 77 77 ALA H H 8.843 0.030 1 807 77 77 ALA HA H 4.284 0.030 1 808 77 77 ALA HB H 1.170 0.030 1 809 77 77 ALA C C 177.512 0.300 1 810 77 77 ALA CA C 52.622 0.300 1 811 77 77 ALA CB C 19.904 0.300 1 812 77 77 ALA N N 119.618 0.300 1 813 78 78 ASN H H 6.610 0.030 1 814 78 78 ASN HA H 4.198 0.030 1 815 78 78 ASN HB2 H 3.146 0.030 2 816 78 78 ASN HB3 H 2.807 0.030 2 817 78 78 ASN HD21 H 7.868 0.030 2 818 78 78 ASN HD22 H 7.035 0.030 2 819 78 78 ASN C C 176.227 0.300 1 820 78 78 ASN CA C 56.043 0.300 1 821 78 78 ASN CB C 38.800 0.300 1 822 78 78 ASN N N 113.465 0.300 1 823 78 78 ASN ND2 N 114.199 0.300 1 824 79 79 GLY H H 8.585 0.030 1 825 79 79 GLY HA2 H 4.211 0.030 2 826 79 79 GLY HA3 H 3.740 0.030 2 827 79 79 GLY C C 173.782 0.300 1 828 79 79 GLY CA C 45.645 0.300 1 829 79 79 GLY N N 116.976 0.300 1 830 80 80 MET H H 7.809 0.030 1 831 80 80 MET HA H 4.220 0.030 1 832 80 80 MET HB2 H 2.196 0.030 2 833 80 80 MET HB3 H 1.867 0.030 2 834 80 80 MET HE H 1.963 0.030 1 835 80 80 MET HG2 H 2.696 0.030 2 836 80 80 MET HG3 H 2.190 0.030 2 837 80 80 MET C C 173.587 0.300 1 838 80 80 MET CA C 56.160 0.300 1 839 80 80 MET CB C 33.131 0.300 1 840 80 80 MET CE C 16.731 0.300 1 841 80 80 MET CG C 31.497 0.300 1 842 80 80 MET N N 120.571 0.300 1 843 81 81 GLU H H 8.436 0.030 1 844 81 81 GLU HA H 4.862 0.030 1 845 81 81 GLU HB2 H 1.859 0.030 2 846 81 81 GLU HB3 H 1.719 0.030 2 847 81 81 GLU HG2 H 1.958 0.030 2 848 81 81 GLU HG3 H 1.866 0.030 2 849 81 81 GLU C C 175.542 0.300 1 850 81 81 GLU CA C 55.270 0.300 1 851 81 81 GLU CB C 30.669 0.300 1 852 81 81 GLU CG C 36.998 0.300 1 853 81 81 GLU N N 121.973 0.300 1 854 82 82 LEU H H 9.242 0.030 1 855 82 82 LEU HA H 4.517 0.030 1 856 82 82 LEU HB2 H 1.723 0.030 2 857 82 82 LEU HB3 H 1.143 0.030 2 858 82 82 LEU HD1 H 0.749 0.030 1 859 82 82 LEU HD2 H 0.838 0.030 1 860 82 82 LEU HG H 1.401 0.030 1 861 82 82 LEU C C 176.380 0.300 1 862 82 82 LEU CA C 54.564 0.300 1 863 82 82 LEU CB C 44.871 0.300 1 864 82 82 LEU CD1 C 26.255 0.300 2 865 82 82 LEU CD2 C 24.231 0.300 2 866 82 82 LEU CG C 27.685 0.300 1 867 82 82 LEU N N 128.228 0.300 1 868 83 83 ASP H H 9.710 0.030 1 869 83 83 ASP HA H 4.263 0.030 1 870 83 83 ASP HB2 H 2.960 0.030 2 871 83 83 ASP HB3 H 2.362 0.030 2 872 83 83 ASP C C 175.710 0.300 1 873 83 83 ASP CA C 55.527 0.300 1 874 83 83 ASP CB C 39.996 0.300 1 875 83 83 ASP N N 130.087 0.300 1 876 84 84 GLY H H 8.727 0.030 1 877 84 84 GLY HA2 H 4.060 0.030 2 878 84 84 GLY HA3 H 3.632 0.030 2 879 84 84 GLY C C 173.936 0.300 1 880 84 84 GLY CA C 45.465 0.300 1 881 84 84 GLY N N 102.088 0.300 1 882 85 85 ARG H H 7.562 0.030 1 883 85 85 ARG HA H 4.640 0.030 1 884 85 85 ARG HB2 H 1.728 0.030 2 885 85 85 ARG HB3 H 2.029 0.030 2 886 85 85 ARG HD2 H 3.176 0.030 1 887 85 85 ARG HD3 H 3.176 0.030 1 888 85 85 ARG HE H 7.067 0.030 1 889 85 85 ARG HG2 H 1.654 0.030 2 890 85 85 ARG HG3 H 1.531 0.030 2 891 85 85 ARG C C 174.313 0.300 1 892 85 85 ARG CA C 52.885 0.300 1 893 85 85 ARG CB C 32.256 0.300 1 894 85 85 ARG CD C 42.380 0.300 1 895 85 85 ARG CG C 26.373 0.300 1 896 85 85 ARG N N 119.743 0.300 1 897 86 86 ARG H H 8.550 0.030 1 898 86 86 ARG HA H 4.647 0.030 1 899 86 86 ARG HB2 H 1.748 0.030 2 900 86 86 ARG HB3 H 1.528 0.030 2 901 86 86 ARG HD2 H 3.119 0.030 1 902 86 86 ARG HD3 H 3.119 0.030 1 903 86 86 ARG HE H 7.307 0.030 1 904 86 86 ARG HG2 H 1.654 0.030 2 905 86 86 ARG HG3 H 1.411 0.030 2 906 86 86 ARG C C 176.674 0.300 1 907 86 86 ARG CA C 54.822 0.300 1 908 86 86 ARG CB C 29.136 0.300 1 909 86 86 ARG CD C 43.195 0.300 1 910 86 86 ARG CG C 27.256 0.300 1 911 86 86 ARG N N 121.165 0.300 1 912 86 86 ARG NE N 84.587 0.300 1 913 87 87 ILE H H 8.558 0.030 1 914 87 87 ILE HA H 4.500 0.030 1 915 87 87 ILE HB H 1.818 0.030 1 916 87 87 ILE HD1 H 0.668 0.030 1 917 87 87 ILE HG12 H 1.446 0.030 2 918 87 87 ILE HG13 H 1.283 0.030 2 919 87 87 ILE HG2 H 0.798 0.030 1 920 87 87 ILE C C 174.942 0.300 1 921 87 87 ILE CA C 61.418 0.300 1 922 87 87 ILE CB C 39.021 0.300 1 923 87 87 ILE CD1 C 13.637 0.300 1 924 87 87 ILE CG1 C 25.248 0.300 1 925 87 87 ILE CG2 C 18.997 0.300 1 926 87 87 ILE N N 123.886 0.300 1 927 88 88 ARG H H 8.480 0.030 1 928 88 88 ARG HA H 5.076 0.030 1 929 88 88 ARG HB2 H 1.723 0.030 2 930 88 88 ARG HB3 H 1.568 0.030 2 931 88 88 ARG HD2 H 3.499 0.030 2 932 88 88 ARG HD3 H 3.239 0.030 2 933 88 88 ARG HE H 7.047 0.030 1 934 88 88 ARG HG2 H 1.587 0.030 2 935 88 88 ARG HG3 H 1.486 0.030 2 936 88 88 ARG C C 174.830 0.300 1 937 88 88 ARG CA C 54.520 0.300 1 938 88 88 ARG CB C 32.618 0.300 1 939 88 88 ARG CD C 42.249 0.300 1 940 88 88 ARG CG C 27.623 0.300 1 941 88 88 ARG N N 121.353 0.300 1 942 89 89 VAL H H 8.423 0.030 1 943 89 89 VAL HA H 5.129 0.030 1 944 89 89 VAL HB H 1.756 0.030 1 945 89 89 VAL HG1 H 0.817 0.030 1 946 89 89 VAL HG2 H 0.902 0.030 1 947 89 89 VAL C C 174.355 0.300 1 948 89 89 VAL CA C 59.809 0.300 1 949 89 89 VAL CB C 35.012 0.300 1 950 89 89 VAL CG1 C 24.639 0.300 2 951 89 89 VAL CG2 C 22.012 0.300 2 952 89 89 VAL N N 120.648 0.300 1 953 90 90 ASP H H 9.154 0.030 1 954 90 90 ASP HA H 4.623 0.030 1 955 90 90 ASP HB2 H 2.661 0.030 2 956 90 90 ASP HB3 H 2.518 0.030 2 957 90 90 ASP C C 174.872 0.300 1 958 90 90 ASP CA C 51.588 0.300 1 959 90 90 ASP CB C 45.116 0.300 1 960 90 90 ASP N N 125.773 0.300 1 961 91 91 PHE H H 8.924 0.030 1 962 91 91 PHE HA H 4.697 0.030 1 963 91 91 PHE HB2 H 3.213 0.030 2 964 91 91 PHE HB3 H 2.541 0.030 2 965 91 91 PHE HD1 H 7.419 0.030 1 966 91 91 PHE HD2 H 7.419 0.030 1 967 91 91 PHE HE1 H 7.367 0.030 1 968 91 91 PHE HE2 H 7.367 0.030 1 969 91 91 PHE HZ H 7.426 0.030 1 970 91 91 PHE C C 174.983 0.300 1 971 91 91 PHE CA C 59.067 0.300 1 972 91 91 PHE CB C 39.965 0.300 1 973 91 91 PHE CD1 C 132.343 0.300 1 974 91 91 PHE CD2 C 132.343 0.300 1 975 91 91 PHE CE1 C 131.753 0.300 1 976 91 91 PHE CE2 C 131.753 0.300 1 977 91 91 PHE CZ C 130.315 0.300 1 978 91 91 PHE N N 119.307 0.300 1 979 92 92 SER H H 8.966 0.030 1 980 92 92 SER HA H 5.656 0.030 1 981 92 92 SER HB2 H 3.974 0.030 2 982 92 92 SER HB3 H 3.910 0.030 2 983 92 92 SER C C 178.196 0.300 1 984 92 92 SER CA C 56.808 0.300 1 985 92 92 SER CB C 65.129 0.300 1 986 92 92 SER N N 112.808 0.300 1 987 93 93 ILE H H 9.974 0.030 1 988 93 93 ILE HA H 4.523 0.030 1 989 93 93 ILE HB H 1.932 0.030 1 990 93 93 ILE HD1 H 0.306 0.030 1 991 93 93 ILE HG12 H 0.881 0.030 2 992 93 93 ILE HG13 H 0.024 0.030 2 993 93 93 ILE HG2 H 0.811 0.030 1 994 93 93 ILE C C 176.003 0.300 1 995 93 93 ILE CA C 61.762 0.300 1 996 93 93 ILE CB C 38.272 0.300 1 997 93 93 ILE CD1 C 14.263 0.300 1 998 93 93 ILE CG1 C 26.199 0.300 1 999 93 93 ILE CG2 C 18.638 0.300 1 1000 93 93 ILE N N 122.589 0.300 1 1001 94 94 THR H H 8.676 0.030 1 1002 94 94 THR HA H 4.648 0.030 1 1003 94 94 THR HB H 4.316 0.030 1 1004 94 94 THR HG2 H 1.201 0.030 1 1005 94 94 THR C C 175.263 0.300 1 1006 94 94 THR CA C 59.932 0.300 1 1007 94 94 THR CB C 71.325 0.300 1 1008 94 94 THR CG2 C 23.903 0.300 1 1009 94 94 THR N N 113.946 0.300 1 1010 95 95 LYS H H 8.627 0.030 1 1011 95 95 LYS HA H 4.480 0.030 1 1012 95 95 LYS HB2 H 1.872 0.030 2 1013 95 95 LYS HB3 H 1.673 0.030 2 1014 95 95 LYS HD2 H 1.654 0.030 1 1015 95 95 LYS HD3 H 1.654 0.030 1 1016 95 95 LYS HE2 H 2.960 0.030 1 1017 95 95 LYS HE3 H 2.960 0.030 1 1018 95 95 LYS HG2 H 1.395 0.030 1 1019 95 95 LYS HG3 H 1.395 0.030 1 1020 95 95 LYS C C 175.137 0.300 1 1021 95 95 LYS CA C 55.585 0.300 1 1022 95 95 LYS CB C 34.232 0.300 1 1023 95 95 LYS CD C 29.200 0.300 1 1024 95 95 LYS CE C 42.090 0.300 1 1025 95 95 LYS CG C 24.935 0.300 1 1026 95 95 LYS N N 122.571 0.300 1 1027 96 96 ARG H H 8.203 0.030 1 1028 96 96 ARG HA H 4.282 0.030 1 1029 96 96 ARG HB2 H 1.597 0.030 2 1030 96 96 ARG HB3 H 1.513 0.030 2 1031 96 96 ARG HD2 H 2.950 0.030 2 1032 96 96 ARG HD3 H 2.880 0.030 2 1033 96 96 ARG HG2 H 1.278 0.030 1 1034 96 96 ARG HG3 H 1.278 0.030 1 1035 96 96 ARG CA C 53.871 0.300 1 1036 96 96 ARG CB C 30.425 0.300 1 1037 96 96 ARG CD C 43.213 0.300 1 1038 96 96 ARG CG C 26.403 0.300 1 1039 96 96 ARG N N 121.821 0.300 1 1040 97 97 PRO HA H 4.199 0.030 1 1041 97 97 PRO HB2 H 2.072 0.030 2 1042 97 97 PRO HB3 H 1.705 0.030 2 1043 97 97 PRO HD2 H 3.205 0.030 1 1044 97 97 PRO HD3 H 3.205 0.030 1 1045 97 97 PRO HG2 H 1.734 0.030 2 1046 97 97 PRO HG3 H 1.646 0.030 2 1047 97 97 PRO CA C 62.761 0.300 1 1048 97 97 PRO CB C 32.056 0.300 1 1049 97 97 PRO CD C 50.277 0.300 1 1050 97 97 PRO CG C 26.931 0.300 1 1051 98 98 HIS H H 8.154 0.030 1 1052 98 98 HIS HA H 4.544 0.030 1 1053 98 98 HIS HB2 H 3.027 0.030 1 1054 98 98 HIS HB3 H 3.027 0.030 1 1055 98 98 HIS HD2 H 6.955 0.030 1 1056 98 98 HIS HE1 H 7.883 0.030 1 1057 98 98 HIS CA C 56.136 0.300 1 1058 98 98 HIS CB C 30.387 0.300 1 1059 98 98 HIS CD2 C 119.769 0.300 1 1060 98 98 HIS CE1 C 137.956 0.300 1 1061 99 99 THR H H 8.422 0.030 1 1062 99 99 THR HA H 4.307 0.030 1 1063 99 99 THR HB H 4.159 0.030 1 1064 99 99 THR HG2 H 1.089 0.030 1 1065 99 99 THR CA C 61.496 0.300 1 1066 99 99 THR CB C 69.902 0.300 1 1067 99 99 THR CG2 C 21.373 0.300 1 stop_ save_