data_11245 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the murine ubiquitin-like 5 protein from RIKEN cDNA 0610031K06 ; _BMRB_accession_number 11245 _BMRB_flat_file_name bmr11245.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _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 Hayashi F. . . 2 Shirouzu M. . . 3 Terada T. . . 4 Kigawa T. . . 5 Inoue M. . . 6 Yabuki T. . . 7 Aoki M. . . 8 Seki E. . . 9 Matsuda T. . . 10 Hirota H. . . 11 Yoshida M. . . 12 Tanaka A. . . 13 Osanai T. . . 14 Arakawa T. . . 15 Carninci P. . . 16 Kawai J. . . 17 Hayashizaki Y. . . 18 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" 550 "13C chemical shifts" 415 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the murine ubiquitin-like 5 protein from RIKEN cDNA 0610031K06 ; _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 Hayashi F. . . 2 Shirouzu M. . . 3 Terada T. . . 4 Kigawa T. . . 5 Inoue M. . . 6 Yabuki T. . . 7 Aoki M. . . 8 Seki E. . . 9 Matsuda T. . . 10 Hirota H. . . 11 Yoshida M. . . 12 Tanaka A. . . 13 Osanai T. . . 14 Arakawa T. . . 15 Carninci P. . . 16 Kawai J. . . 17 Hayashizaki Y. . . 18 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ubiquitin-like 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like 5' $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 'ubiquitin-like 5' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; MKGSSHHHHHHSSGASLVPR GSEGAATMIEVVCNDRLGKK VRVKCNTDDTIGDLKKLIAA QTGTRWNKIVLKKWYTIFKD HVSLGDYEIHDGMNLELYYQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 GLY 4 SER 5 SER 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 HIS 12 SER 13 SER 14 GLY 15 ALA 16 SER 17 LEU 18 VAL 19 PRO 20 ARG 21 GLY 22 SER 23 GLU 24 GLY 25 ALA 26 ALA 27 THR 28 MET 29 ILE 30 GLU 31 VAL 32 VAL 33 CYS 34 ASN 35 ASP 36 ARG 37 LEU 38 GLY 39 LYS 40 LYS 41 VAL 42 ARG 43 VAL 44 LYS 45 CYS 46 ASN 47 THR 48 ASP 49 ASP 50 THR 51 ILE 52 GLY 53 ASP 54 LEU 55 LYS 56 LYS 57 LEU 58 ILE 59 ALA 60 ALA 61 GLN 62 THR 63 GLY 64 THR 65 ARG 66 TRP 67 ASN 68 LYS 69 ILE 70 VAL 71 LEU 72 LYS 73 LYS 74 TRP 75 TYR 76 THR 77 ILE 78 PHE 79 LYS 80 ASP 81 HIS 82 VAL 83 SER 84 LEU 85 GLY 86 ASP 87 TYR 88 GLU 89 ILE 90 HIS 91 ASP 92 GLY 93 MET 94 ASN 95 LEU 96 GLU 97 LEU 98 TYR 99 TYR 100 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1UH6 "Solution Structure Of The Murine Ubiquitin-Like 5 Protein From Riken Cdna 0610031k06" 100.00 100 100.00 100.00 9.25e-67 PDB 4PYU "The Conserved Ubiquitin-like Protein Hub1 Plays A Critical Role In Splicing In Human Cells" 73.00 76 100.00 100.00 2.91e-45 DBJ BAB22312 "unnamed protein product [Mus musculus]" 73.00 73 100.00 100.00 1.83e-45 DBJ BAB23111 "unnamed protein product [Mus musculus]" 73.00 73 100.00 100.00 1.83e-45 DBJ BAB25215 "unnamed protein product [Mus musculus]" 73.00 73 100.00 100.00 1.83e-45 DBJ BAB26545 "unnamed protein product [Mus musculus]" 73.00 73 100.00 100.00 1.83e-45 DBJ BAB28481 "unnamed protein product [Mus musculus]" 73.00 73 100.00 100.00 1.83e-45 EMBL CAH90527 "hypothetical protein [Pongo abelii]" 73.00 73 100.00 100.00 1.83e-45 EMBL CAQ34910 "ubiquitin-like protein 5 [Sus scrofa]" 73.00 73 100.00 100.00 1.83e-45 EMBL CBZ13168 "ubiquitin-like protein 5 [Sus scrofa]" 73.00 73 100.00 100.00 1.83e-45 EMBL CBZ13169 "ubiquitin-like protein 5 [Sus scrofa]" 73.00 73 100.00 100.00 1.83e-45 EMBL CCC41973 "ubiquitin-like protein 5 [Sus scrofa]" 73.00 73 100.00 100.00 1.83e-45 GB AAG34704 "beacon [Psammomys obesus]" 73.00 73 100.00 100.00 1.83e-45 GB AAH07053 "UBL5 protein [Homo sapiens]" 73.00 73 100.00 100.00 1.83e-45 GB AAH28498 "Ubiquitin-like 5 [Mus musculus]" 73.00 73 100.00 100.00 1.83e-45 GB AAI02199 "Ubiquitin-like 5 [Bos taurus]" 73.00 73 100.00 100.00 1.83e-45 GB AAI10840 "Ubiquitin-like 5 [Homo sapiens]" 73.00 73 100.00 100.00 1.83e-45 REF NP_001032799 "ubiquitin-like protein 5 [Bos taurus]" 73.00 73 100.00 100.00 1.83e-45 REF NP_001041706 "ubiquitin-like protein 5 [Homo sapiens]" 73.00 73 100.00 100.00 1.83e-45 REF NP_001041708 "ubiquitin-like protein 5 [Rattus norvegicus]" 73.00 73 100.00 100.00 1.83e-45 REF NP_001125281 "ubiquitin-like protein 5 [Pongo abelii]" 73.00 73 100.00 100.00 1.83e-45 REF NP_001159534 "ubiquitin-like 5-like [Mus musculus]" 73.00 73 97.26 100.00 1.45e-44 SP Q3T0Z3 "RecName: Full=Ubiquitin-like protein 5" 73.00 73 100.00 100.00 1.83e-45 SP Q6EGX7 "RecName: Full=Ubiquitin-like protein 5; AltName: Full=Beacon protein" 73.00 73 100.00 100.00 1.83e-45 SP Q791B0 "RecName: Full=Ubiquitin-like protein 5; AltName: Full=Beacon protein" 73.00 73 100.00 100.00 1.83e-45 SP Q9BZL1 "RecName: Full=Ubiquitin-like protein 5" 73.00 73 100.00 100.00 1.83e-45 SP Q9EPV8 "RecName: Full=Ubiquitin-like protein 5" 73.00 73 100.00 100.00 1.83e-45 TPG DAA28014 "TPA: ubiquitin-like protein 5 [Bos taurus]" 73.00 73 100.00 100.00 1.83e-45 TPG DAA32797 "TPA: ubiquitin-like 5-like [Bos taurus]" 73.00 73 98.63 100.00 3.23e-45 TPG DAA32925 "TPA: ubiquitin-like 5-like [Bos taurus]" 73.00 73 98.63 98.63 3.73e-44 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 . 011010-5 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.5mM 13C, 15N-labeled {protein;} 20mM phosphate {buffer;} 500mM {NaCl;} 4mM {DTT;} 0.4mM {NaN3;} 8% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' phosphate 20 mM 'natural abundance' NaCl 500 mM 'natural abundance' DTT 4 mM 'natural abundance' NaN3 0.4 mM 'natural abundance' H2O 92 % . D2O 8 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.816 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 520 0.1 mM pH 6.0 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 $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'ubiquitin-like 5' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HE H 2.108 0.030 1 2 1 1 MET CE C 16.927 0.300 1 3 2 2 LYS HA H 4.394 0.030 1 4 2 2 LYS HB2 H 1.869 0.030 2 5 2 2 LYS HB3 H 1.829 0.030 2 6 2 2 LYS HD2 H 1.713 0.030 1 7 2 2 LYS HD3 H 1.713 0.030 1 8 2 2 LYS HE2 H 3.021 0.030 1 9 2 2 LYS HE3 H 3.021 0.030 1 10 2 2 LYS HG2 H 1.499 0.030 2 11 2 2 LYS HG3 H 1.499 0.030 2 12 2 2 LYS C C 175.256 0.300 1 13 2 2 LYS CA C 56.875 0.300 1 14 2 2 LYS CB C 33.118 0.300 1 15 2 2 LYS CD C 29.195 0.300 1 16 2 2 LYS CE C 42.181 0.300 1 17 2 2 LYS CG C 24.731 0.300 1 18 3 3 GLY H H 8.586 0.030 1 19 3 3 GLY HA2 H 4.030 0.030 1 20 3 3 GLY HA3 H 4.030 0.030 1 21 3 3 GLY C C 174.125 0.300 1 22 3 3 GLY CA C 45.374 0.300 1 23 3 3 GLY N N 111.286 0.300 1 24 4 4 SER H H 8.248 0.030 1 25 4 4 SER HA H 4.517 0.030 1 26 4 4 SER HB2 H 3.900 0.030 1 27 4 4 SER HB3 H 3.900 0.030 2 28 4 4 SER C C 174.824 0.300 1 29 4 4 SER CA C 58.335 0.300 1 30 4 4 SER CB C 64.011 0.300 1 31 4 4 SER N N 115.457 0.300 1 32 5 5 SER H H 8.407 0.030 1 33 5 5 SER C C 174.408 0.300 1 34 5 5 SER CA C 58.414 0.300 1 35 5 5 SER CB C 63.839 0.300 1 36 5 5 SER N N 117.840 0.300 1 37 12 12 SER HA H 4.536 0.030 1 38 12 12 SER HB2 H 3.913 0.030 1 39 12 12 SER HB3 H 3.913 0.030 1 40 12 12 SER C C 174.591 0.300 1 41 12 12 SER CA C 58.274 0.300 1 42 12 12 SER CB C 63.925 0.300 1 43 13 13 SER H H 8.532 0.030 1 44 13 13 SER HA H 4.519 0.030 1 45 13 13 SER HB2 H 3.951 0.030 1 46 13 13 SER HB3 H 3.951 0.030 1 47 13 13 SER C C 175.091 0.300 1 48 13 13 SER CA C 58.612 0.300 1 49 13 13 SER CB C 63.913 0.300 1 50 13 13 SER N N 118.246 0.300 1 51 14 14 GLY H H 8.450 0.030 1 52 14 14 GLY HA2 H 3.994 0.030 1 53 14 14 GLY HA3 H 3.994 0.030 1 54 14 14 GLY C C 173.992 0.300 1 55 14 14 GLY CA C 45.435 0.300 1 56 14 14 GLY N N 111.038 0.300 1 57 15 15 ALA H H 8.156 0.030 1 58 15 15 ALA HA H 4.358 0.030 1 59 15 15 ALA HB H 1.399 0.030 1 60 15 15 ALA C C 177.838 0.300 1 61 15 15 ALA CA C 52.419 0.300 1 62 15 15 ALA CB C 19.465 0.300 1 63 15 15 ALA N N 123.923 0.300 1 64 16 16 SER H H 8.267 0.030 1 65 16 16 SER HA H 4.440 0.030 1 66 16 16 SER HB2 H 3.871 0.030 1 67 16 16 SER HB3 H 3.871 0.030 1 68 16 16 SER C C 174.441 0.300 1 69 16 16 SER CA C 58.355 0.300 1 70 16 16 SER CB C 63.809 0.300 1 71 16 16 SER N N 114.980 0.300 1 72 17 17 LEU H H 8.275 0.030 1 73 17 17 LEU HA H 4.373 0.030 1 74 17 17 LEU HB2 H 1.647 0.030 2 75 17 17 LEU HB3 H 1.601 0.030 2 76 17 17 LEU HD1 H 0.913 0.030 1 77 17 17 LEU HD2 H 0.850 0.030 1 78 17 17 LEU HG H 1.605 0.030 1 79 17 17 LEU C C 177.056 0.300 1 80 17 17 LEU CA C 55.263 0.300 1 81 17 17 LEU CB C 42.265 0.300 1 82 17 17 LEU CD1 C 24.976 0.300 2 83 17 17 LEU CD2 C 23.459 0.300 2 84 17 17 LEU CG C 27.116 0.300 1 85 17 17 LEU N N 124.409 0.300 1 86 18 18 VAL H H 8.033 0.030 1 87 18 18 VAL HA H 4.406 0.030 1 88 18 18 VAL HB H 2.059 0.030 1 89 18 18 VAL HG1 H 0.950 0.030 1 90 18 18 VAL HG2 H 0.924 0.030 1 91 18 18 VAL C C 174.358 0.300 1 92 18 18 VAL CA C 59.792 0.300 1 93 18 18 VAL CB C 32.674 0.300 1 94 18 18 VAL CG1 C 21.079 0.300 2 95 18 18 VAL CG2 C 20.432 0.300 2 96 18 18 VAL N N 122.183 0.300 1 97 19 19 PRO HA H 4.414 0.030 1 98 19 19 PRO HB2 H 2.301 0.030 2 99 19 19 PRO HB3 H 1.896 0.030 2 100 19 19 PRO HD2 H 3.877 0.030 2 101 19 19 PRO HD3 H 3.672 0.030 2 102 19 19 PRO HG2 H 2.053 0.030 2 103 19 19 PRO HG3 H 1.973 0.030 2 104 19 19 PRO C C 176.956 0.300 1 105 19 19 PRO CA C 63.130 0.300 1 106 19 19 PRO CB C 32.138 0.300 1 107 19 19 PRO CD C 51.097 0.300 1 108 19 19 PRO CG C 27.501 0.300 1 109 20 20 ARG HA H 4.326 0.030 1 110 20 20 ARG HB2 H 1.883 0.030 2 111 20 20 ARG HB3 H 1.819 0.030 2 112 20 20 ARG HD2 H 3.231 0.030 1 113 20 20 ARG HD3 H 3.231 0.030 1 114 20 20 ARG HE H 7.223 0.030 1 115 20 20 ARG HG2 H 1.738 0.030 1 116 20 20 ARG HG3 H 1.738 0.030 1 117 20 20 ARG C C 177.172 0.300 1 118 20 20 ARG CA C 56.484 0.300 1 119 20 20 ARG CB C 30.871 0.300 1 120 20 20 ARG CD C 43.418 0.300 1 121 20 20 ARG CG C 27.171 0.300 1 122 21 21 GLY H H 8.591 0.030 1 123 21 21 GLY HA2 H 4.030 0.030 1 124 21 21 GLY HA3 H 4.030 0.030 1 125 21 21 GLY C C 174.458 0.300 1 126 21 21 GLY CA C 45.461 0.300 1 127 21 21 GLY N N 110.853 0.300 1 128 22 22 SER H H 8.268 0.030 1 129 22 22 SER HA H 4.520 0.030 1 130 22 22 SER HB2 H 3.913 0.030 1 131 22 22 SER HB3 H 3.913 0.030 1 132 22 22 SER C C 174.824 0.300 1 133 22 22 SER CA C 58.538 0.300 1 134 22 22 SER CB C 63.925 0.300 1 135 22 22 SER N N 115.911 0.300 1 136 23 23 GLU H H 8.760 0.030 1 137 23 23 GLU HA H 4.324 0.030 1 138 23 23 GLU HB2 H 2.098 0.030 2 139 23 23 GLU HB3 H 1.978 0.030 2 140 23 23 GLU HG2 H 2.301 0.030 1 141 23 23 GLU HG3 H 2.301 0.030 1 142 23 23 GLU C C 177.072 0.300 1 143 23 23 GLU CA C 57.143 0.300 1 144 23 23 GLU CB C 29.937 0.300 1 145 23 23 GLU CG C 36.109 0.300 1 146 23 23 GLU N N 123.092 0.300 1 147 24 24 GLY H H 8.410 0.030 1 148 24 24 GLY HA2 H 3.961 0.030 1 149 24 24 GLY HA3 H 3.961 0.030 1 150 24 24 GLY C C 173.875 0.300 1 151 24 24 GLY CA C 45.344 0.300 1 152 24 24 GLY N N 110.280 0.300 1 153 25 25 ALA H H 8.095 0.030 1 154 25 25 ALA HA H 4.330 0.030 1 155 25 25 ALA HB H 1.399 0.030 1 156 25 25 ALA C C 177.522 0.300 1 157 25 25 ALA CA C 52.461 0.300 1 158 25 25 ALA CB C 19.550 0.300 1 159 25 25 ALA N N 123.901 0.300 1 160 26 26 ALA H H 8.308 0.030 1 161 26 26 ALA HA H 4.295 0.030 1 162 26 26 ALA HB H 1.393 0.030 1 163 26 26 ALA C C 177.705 0.300 1 164 26 26 ALA CA C 52.671 0.300 1 165 26 26 ALA CB C 19.575 0.300 1 166 26 26 ALA N N 123.560 0.300 1 167 27 27 THR H H 8.090 0.030 1 168 27 27 THR HA H 4.419 0.030 1 169 27 27 THR HB H 4.244 0.030 1 170 27 27 THR HG2 H 1.185 0.030 1 171 27 27 THR C C 173.725 0.300 1 172 27 27 THR CA C 61.638 0.300 1 173 27 27 THR CB C 70.157 0.300 1 174 27 27 THR CG2 C 21.602 0.300 1 175 27 27 THR N N 114.121 0.300 1 176 28 28 MET H H 8.159 0.030 1 177 28 28 MET HA H 4.916 0.030 1 178 28 28 MET HB2 H 2.001 0.030 1 179 28 28 MET HB3 H 2.001 0.030 1 180 28 28 MET HE H 2.004 0.030 1 181 28 28 MET HG2 H 2.623 0.030 2 182 28 28 MET HG3 H 2.493 0.030 2 183 28 28 MET C C 176.023 0.300 1 184 28 28 MET CA C 55.255 0.300 1 185 28 28 MET CB C 33.061 0.300 1 186 28 28 MET CE C 16.727 0.300 1 187 28 28 MET CG C 32.150 0.300 1 188 28 28 MET N N 123.195 0.300 1 189 29 29 ILE H H 9.075 0.030 1 190 29 29 ILE HA H 4.614 0.030 1 191 29 29 ILE HB H 1.583 0.030 1 192 29 29 ILE HD1 H 0.419 0.030 1 193 29 29 ILE HG12 H 1.242 0.030 2 194 29 29 ILE HG13 H 0.742 0.030 2 195 29 29 ILE HG2 H 0.872 0.030 1 196 29 29 ILE C C 173.392 0.300 1 197 29 29 ILE CA C 59.818 0.300 1 198 29 29 ILE CB C 43.311 0.300 1 199 29 29 ILE CD1 C 14.323 0.300 1 200 29 29 ILE CG1 C 25.786 0.300 1 201 29 29 ILE CG2 C 19.078 0.300 1 202 29 29 ILE N N 119.177 0.300 1 203 30 30 GLU H H 8.935 0.030 1 204 30 30 GLU HA H 5.266 0.030 1 205 30 30 GLU HB2 H 1.776 0.030 2 206 30 30 GLU HB3 H 1.966 0.030 2 207 30 30 GLU HG2 H 2.000 0.030 2 208 30 30 GLU HG3 H 1.890 0.030 2 209 30 30 GLU C C 175.590 0.300 1 210 30 30 GLU CA C 54.906 0.300 1 211 30 30 GLU CB C 32.750 0.300 1 212 30 30 GLU CG C 37.905 0.300 1 213 30 30 GLU N N 121.333 0.300 1 214 31 31 VAL H H 8.621 0.030 1 215 31 31 VAL HA H 4.560 0.030 1 216 31 31 VAL HB H 1.789 0.030 1 217 31 31 VAL HG1 H 0.646 0.030 1 218 31 31 VAL HG2 H 0.615 0.030 1 219 31 31 VAL C C 174.058 0.300 1 220 31 31 VAL CA C 59.657 0.300 1 221 31 31 VAL CB C 34.339 0.300 1 222 31 31 VAL CG1 C 22.047 0.300 2 223 31 31 VAL CG2 C 20.444 0.300 2 224 31 31 VAL N N 120.812 0.300 1 225 32 32 VAL H H 8.336 0.030 1 226 32 32 VAL HA H 4.512 0.030 1 227 32 32 VAL HB H 1.969 0.030 1 228 32 32 VAL HG1 H 0.761 0.030 1 229 32 32 VAL HG2 H 0.734 0.030 1 230 32 32 VAL C C 175.008 0.300 1 231 32 32 VAL CA C 61.387 0.300 1 232 32 32 VAL CB C 32.923 0.300 1 233 32 32 VAL CG1 C 21.877 0.300 2 234 32 32 VAL CG2 C 20.931 0.300 2 235 32 32 VAL N N 123.460 0.300 1 236 33 33 CYS H H 9.137 0.030 1 237 33 33 CYS HA H 4.932 0.030 1 238 33 33 CYS HB2 H 2.946 0.030 2 239 33 33 CYS HB3 H 2.376 0.030 2 240 33 33 CYS C C 173.559 0.300 1 241 33 33 CYS CA C 57.046 0.300 1 242 33 33 CYS CB C 29.447 0.300 1 243 33 33 CYS N N 124.732 0.300 1 244 34 34 ASN H H 8.740 0.030 1 245 34 34 ASN HA H 5.411 0.030 1 246 34 34 ASN HB2 H 2.745 0.030 2 247 34 34 ASN HB3 H 2.583 0.030 2 248 34 34 ASN HD21 H 7.183 0.030 2 249 34 34 ASN HD22 H 7.089 0.030 2 250 34 34 ASN C C 174.924 0.300 1 251 34 34 ASN CA C 52.691 0.300 1 252 34 34 ASN CB C 41.457 0.300 1 253 34 34 ASN N N 122.635 0.300 1 254 34 34 ASN ND2 N 113.573 0.300 1 255 35 35 ASP H H 8.700 0.030 1 256 35 35 ASP HA H 5.254 0.030 1 257 35 35 ASP HB2 H 3.382 0.030 2 258 35 35 ASP HB3 H 2.501 0.030 2 259 35 35 ASP C C 178.188 0.300 1 260 35 35 ASP CA C 52.388 0.300 1 261 35 35 ASP CB C 41.701 0.300 1 262 35 35 ASP N N 126.837 0.300 1 263 36 36 ARG H H 8.860 0.030 1 264 36 36 ARG HA H 4.157 0.030 1 265 36 36 ARG HB2 H 2.000 0.030 1 266 36 36 ARG HB3 H 2.000 0.030 1 267 36 36 ARG HD2 H 3.254 0.030 1 268 36 36 ARG HD3 H 3.254 0.030 1 269 36 36 ARG HE H 7.094 0.030 1 270 36 36 ARG HG2 H 1.773 0.030 1 271 36 36 ARG HG3 H 1.773 0.030 1 272 36 36 ARG C C 177.255 0.300 1 273 36 36 ARG CA C 57.953 0.300 1 274 36 36 ARG CB C 29.964 0.300 1 275 36 36 ARG CD C 43.490 0.300 1 276 36 36 ARG CG C 27.194 0.300 1 277 36 36 ARG N N 117.044 0.300 1 278 36 36 ARG NE N 84.935 0.300 1 279 37 37 LEU H H 8.303 0.030 1 280 37 37 LEU HA H 4.504 0.030 1 281 37 37 LEU HB2 H 1.908 0.030 2 282 37 37 LEU HB3 H 1.767 0.030 2 283 37 37 LEU HD1 H 0.968 0.030 1 284 37 37 LEU HD2 H 0.898 0.030 1 285 37 37 LEU HG H 1.633 0.030 1 286 37 37 LEU C C 177.622 0.300 1 287 37 37 LEU CA C 54.397 0.300 1 288 37 37 LEU CB C 41.579 0.300 1 289 37 37 LEU CD1 C 25.279 0.300 2 290 37 37 LEU CD2 C 23.010 0.300 2 291 37 37 LEU CG C 27.450 0.300 1 292 37 37 LEU N N 120.524 0.300 1 293 38 38 GLY H H 7.992 0.030 1 294 38 38 GLY HA2 H 4.232 0.030 2 295 38 38 GLY HA3 H 3.728 0.030 2 296 38 38 GLY C C 174.791 0.300 1 297 38 38 GLY CA C 45.422 0.300 1 298 38 38 GLY N N 108.465 0.300 1 299 39 39 LYS H H 8.612 0.030 1 300 39 39 LYS HA H 4.319 0.030 1 301 39 39 LYS HB2 H 1.790 0.030 2 302 39 39 LYS HB3 H 1.918 0.030 2 303 39 39 LYS HD2 H 1.681 0.030 1 304 39 39 LYS HD3 H 1.681 0.030 1 305 39 39 LYS HE2 H 2.986 0.030 1 306 39 39 LYS HE3 H 2.986 0.030 1 307 39 39 LYS HG2 H 1.452 0.030 2 308 39 39 LYS HG3 H 1.307 0.030 2 309 39 39 LYS C C 175.973 0.300 1 310 39 39 LYS CA C 56.324 0.300 1 311 39 39 LYS CB C 32.393 0.300 1 312 39 39 LYS CD C 28.929 0.300 1 313 39 39 LYS CE C 42.056 0.300 1 314 39 39 LYS CG C 25.151 0.300 1 315 39 39 LYS N N 123.964 0.300 1 316 40 40 LYS H H 8.353 0.030 1 317 40 40 LYS HA H 4.963 0.030 1 318 40 40 LYS HB2 H 1.692 0.030 2 319 40 40 LYS HB3 H 1.411 0.030 2 320 40 40 LYS HD2 H 1.628 0.030 2 321 40 40 LYS HD3 H 1.567 0.030 2 322 40 40 LYS HE2 H 2.987 0.030 1 323 40 40 LYS HE3 H 2.987 0.030 1 324 40 40 LYS HG2 H 1.382 0.030 2 325 40 40 LYS HG3 H 1.326 0.030 2 326 40 40 LYS C C 176.256 0.300 1 327 40 40 LYS CA C 55.366 0.300 1 328 40 40 LYS CB C 34.365 0.300 1 329 40 40 LYS CD C 29.381 0.300 1 330 40 40 LYS CE C 42.195 0.300 1 331 40 40 LYS CG C 25.016 0.300 1 332 40 40 LYS N N 123.198 0.300 1 333 41 41 VAL H H 8.905 0.030 1 334 41 41 VAL HA H 4.186 0.030 1 335 41 41 VAL HB H 1.876 0.030 1 336 41 41 VAL HG1 H 0.791 0.030 1 337 41 41 VAL HG2 H 0.771 0.030 1 338 41 41 VAL C C 174.475 0.300 1 339 41 41 VAL CA C 61.371 0.300 1 340 41 41 VAL CB C 33.921 0.300 1 341 41 41 VAL CG1 C 21.266 0.300 2 342 41 41 VAL CG2 C 20.414 0.300 2 343 41 41 VAL N N 124.894 0.300 1 344 42 42 ARG H H 8.922 0.030 1 345 42 42 ARG HA H 5.099 0.030 1 346 42 42 ARG HB2 H 1.667 0.030 2 347 42 42 ARG HB3 H 1.720 0.030 2 348 42 42 ARG HD2 H 3.171 0.030 1 349 42 42 ARG HD3 H 3.171 0.030 1 350 42 42 ARG HE H 7.362 0.030 1 351 42 42 ARG HG2 H 1.517 0.030 2 352 42 42 ARG HG3 H 1.360 0.030 2 353 42 42 ARG C C 176.040 0.300 1 354 42 42 ARG CA C 55.320 0.300 1 355 42 42 ARG CB C 31.578 0.300 1 356 42 42 ARG CD C 43.296 0.300 1 357 42 42 ARG CG C 28.501 0.300 1 358 42 42 ARG N N 128.820 0.300 1 359 42 42 ARG NE N 84.640 0.300 1 360 43 43 VAL H H 8.841 0.030 1 361 43 43 VAL HA H 4.434 0.030 1 362 43 43 VAL HB H 1.763 0.030 1 363 43 43 VAL HG1 H 0.781 0.030 1 364 43 43 VAL HG2 H 0.692 0.030 1 365 43 43 VAL C C 174.225 0.300 1 366 43 43 VAL CA C 60.652 0.300 1 367 43 43 VAL CB C 35.532 0.300 1 368 43 43 VAL CG1 C 23.053 0.300 2 369 43 43 VAL CG2 C 20.994 0.300 2 370 43 43 VAL N N 123.321 0.300 1 371 44 44 LYS H H 8.306 0.030 1 372 44 44 LYS HA H 5.263 0.030 1 373 44 44 LYS HB2 H 1.749 0.030 1 374 44 44 LYS HB3 H 1.749 0.030 1 375 44 44 LYS HD2 H 1.651 0.030 1 376 44 44 LYS HD3 H 1.651 0.030 1 377 44 44 LYS HE2 H 2.943 0.030 1 378 44 44 LYS HE3 H 2.943 0.030 1 379 44 44 LYS HG2 H 1.508 0.030 2 380 44 44 LYS HG3 H 1.344 0.030 2 381 44 44 LYS C C 175.624 0.300 1 382 44 44 LYS CA C 55.116 0.300 1 383 44 44 LYS CB C 33.279 0.300 1 384 44 44 LYS CD C 29.318 0.300 1 385 44 44 LYS CE C 42.044 0.300 1 386 44 44 LYS CG C 25.328 0.300 1 387 44 44 LYS N N 126.553 0.300 1 388 45 45 CYS H H 9.191 0.030 1 389 45 45 CYS HA H 4.752 0.030 1 390 45 45 CYS HB2 H 2.968 0.030 2 391 45 45 CYS HB3 H 2.858 0.030 2 392 45 45 CYS C C 171.278 0.300 1 393 45 45 CYS CA C 56.785 0.300 1 394 45 45 CYS CB C 29.445 0.300 1 395 45 45 CYS N N 120.484 0.300 1 396 46 46 ASN H H 8.812 0.030 1 397 46 46 ASN HA H 5.540 0.030 1 398 46 46 ASN HB2 H 2.747 0.030 2 399 46 46 ASN HB3 H 2.621 0.030 2 400 46 46 ASN HD21 H 7.558 0.030 2 401 46 46 ASN HD22 H 6.713 0.030 2 402 46 46 ASN C C 177.072 0.300 1 403 46 46 ASN CA C 52.336 0.300 1 404 46 46 ASN CB C 42.058 0.300 1 405 46 46 ASN N N 119.048 0.300 1 406 46 46 ASN ND2 N 113.960 0.300 1 407 47 47 THR H H 8.750 0.030 1 408 47 47 THR HA H 3.913 0.030 1 409 47 47 THR HB H 4.251 0.030 1 410 47 47 THR HG2 H 1.305 0.030 1 411 47 47 THR C C 174.824 0.300 1 412 47 47 THR CA C 65.439 0.300 1 413 47 47 THR CB C 68.694 0.300 1 414 47 47 THR CG2 C 22.947 0.300 1 415 47 47 THR N N 112.916 0.300 1 416 48 48 ASP H H 8.409 0.030 1 417 48 48 ASP HA H 4.806 0.030 1 418 48 48 ASP HB2 H 2.717 0.030 1 419 48 48 ASP HB3 H 2.717 0.030 1 420 48 48 ASP C C 177.705 0.300 1 421 48 48 ASP CA C 54.245 0.300 1 422 48 48 ASP CB C 40.557 0.300 1 423 48 48 ASP N N 117.489 0.300 1 424 49 49 ASP H H 7.649 0.030 1 425 49 49 ASP HA H 4.750 0.030 1 426 49 49 ASP HB2 H 3.054 0.030 2 427 49 49 ASP HB3 H 2.753 0.030 2 428 49 49 ASP C C 175.407 0.300 1 429 49 49 ASP CA C 55.278 0.300 1 430 49 49 ASP CB C 40.841 0.300 1 431 49 49 ASP N N 121.795 0.300 1 432 50 50 THR H H 9.015 0.030 1 433 50 50 THR HA H 4.921 0.030 1 434 50 50 THR HB H 4.780 0.030 1 435 50 50 THR HG2 H 1.143 0.030 1 436 50 50 THR C C 176.639 0.300 1 437 50 50 THR CA C 60.425 0.300 1 438 50 50 THR CB C 72.106 0.300 1 439 50 50 THR CG2 C 22.042 0.300 1 440 50 50 THR N N 108.413 0.300 1 441 51 51 ILE H H 8.226 0.030 1 442 51 51 ILE HA H 3.739 0.030 1 443 51 51 ILE HB H 2.880 0.030 1 444 51 51 ILE HD1 H 0.242 0.030 1 445 51 51 ILE HG12 H 1.895 0.030 2 446 51 51 ILE HG13 H 1.671 0.030 2 447 51 51 ILE HG2 H 0.821 0.030 1 448 51 51 ILE C C 178.604 0.300 1 449 51 51 ILE CA C 61.263 0.300 1 450 51 51 ILE CB C 34.577 0.300 1 451 51 51 ILE CD1 C 7.878 0.300 1 452 51 51 ILE CG1 C 26.098 0.300 1 453 51 51 ILE CG2 C 16.735 0.300 1 454 51 51 ILE N N 122.057 0.300 1 455 52 52 GLY H H 9.562 0.030 1 456 52 52 GLY HA2 H 3.893 0.030 2 457 52 52 GLY HA3 H 3.648 0.030 2 458 52 52 GLY C C 175.440 0.300 1 459 52 52 GLY CA C 47.135 0.300 1 460 52 52 GLY N N 109.358 0.300 1 461 53 53 ASP H H 7.689 0.030 1 462 53 53 ASP HA H 4.148 0.030 1 463 53 53 ASP HB2 H 3.188 0.030 2 464 53 53 ASP HB3 H 2.591 0.030 2 465 53 53 ASP C C 179.337 0.300 1 466 53 53 ASP CA C 57.637 0.300 1 467 53 53 ASP CB C 40.338 0.300 1 468 53 53 ASP N N 121.758 0.300 1 469 54 54 LEU H H 8.341 0.030 1 470 54 54 LEU HA H 4.097 0.030 1 471 54 54 LEU HB2 H 1.479 0.030 2 472 54 54 LEU HB3 H 2.293 0.030 2 473 54 54 LEU HD1 H 0.679 0.030 1 474 54 54 LEU HD2 H 0.870 0.030 1 475 54 54 LEU HG H 1.478 0.030 1 476 54 54 LEU C C 178.704 0.300 1 477 54 54 LEU CA C 58.313 0.300 1 478 54 54 LEU CB C 41.276 0.300 1 479 54 54 LEU CD1 C 26.573 0.300 2 480 54 54 LEU CD2 C 23.775 0.300 2 481 54 54 LEU CG C 27.592 0.300 1 482 54 54 LEU N N 123.373 0.300 1 483 55 55 LYS H H 8.908 0.030 1 484 55 55 LYS HA H 3.910 0.030 1 485 55 55 LYS HB2 H 2.486 0.030 2 486 55 55 LYS HB3 H 2.402 0.030 2 487 55 55 LYS HD2 H 2.155 0.030 2 488 55 55 LYS HD3 H 1.937 0.030 2 489 55 55 LYS HE2 H 2.729 0.030 2 490 55 55 LYS HE3 H 2.681 0.030 2 491 55 55 LYS HG2 H 1.971 0.030 2 492 55 55 LYS HG3 H 1.042 0.030 2 493 55 55 LYS C C 178.754 0.300 1 494 55 55 LYS CA C 61.399 0.300 1 495 55 55 LYS CB C 33.545 0.300 1 496 55 55 LYS CD C 30.328 0.300 1 497 55 55 LYS CE C 42.881 0.300 1 498 55 55 LYS CG C 28.043 0.300 1 499 55 55 LYS N N 119.166 0.300 1 500 56 56 LYS H H 7.811 0.030 1 501 56 56 LYS HA H 4.030 0.030 1 502 56 56 LYS HB2 H 1.817 0.030 2 503 56 56 LYS HB3 H 1.768 0.030 2 504 56 56 LYS HD2 H 1.252 0.030 2 505 56 56 LYS HD3 H 1.135 0.030 2 506 56 56 LYS HE2 H 1.786 0.030 2 507 56 56 LYS HE3 H 1.383 0.030 2 508 56 56 LYS HG2 H 1.058 0.030 2 509 56 56 LYS HG3 H 0.722 0.030 2 510 56 56 LYS C C 179.953 0.300 1 511 56 56 LYS CA C 60.795 0.300 1 512 56 56 LYS CB C 32.203 0.300 1 513 56 56 LYS CD C 29.510 0.300 1 514 56 56 LYS CE C 41.283 0.300 1 515 56 56 LYS CG C 26.413 0.300 1 516 56 56 LYS N N 118.770 0.300 1 517 57 57 LEU H H 7.805 0.030 1 518 57 57 LEU HA H 4.219 0.030 1 519 57 57 LEU HB2 H 2.193 0.030 2 520 57 57 LEU HB3 H 1.475 0.030 2 521 57 57 LEU HD1 H 0.927 0.030 1 522 57 57 LEU HD2 H 0.912 0.030 1 523 57 57 LEU HG H 1.857 0.030 1 524 57 57 LEU C C 178.704 0.300 1 525 57 57 LEU CA C 58.139 0.300 1 526 57 57 LEU CB C 42.061 0.300 1 527 57 57 LEU CD1 C 25.675 0.300 2 528 57 57 LEU CD2 C 22.355 0.300 2 529 57 57 LEU CG C 26.648 0.300 1 530 57 57 LEU N N 122.172 0.300 1 531 58 58 ILE H H 8.528 0.030 1 532 58 58 ILE HA H 3.414 0.030 1 533 58 58 ILE HB H 1.960 0.030 1 534 58 58 ILE HD1 H 0.909 0.030 1 535 58 58 ILE HG12 H 1.879 0.030 2 536 58 58 ILE HG13 H 0.817 0.030 2 537 58 58 ILE HG2 H 0.883 0.030 1 538 58 58 ILE C C 179.653 0.300 1 539 58 58 ILE CA C 65.639 0.300 1 540 58 58 ILE CB C 38.765 0.300 1 541 58 58 ILE CD1 C 17.203 0.300 1 542 58 58 ILE CG1 C 29.390 0.300 1 543 58 58 ILE CG2 C 18.666 0.300 1 544 58 58 ILE N N 121.130 0.300 1 545 59 59 ALA H H 8.939 0.030 1 546 59 59 ALA HA H 4.193 0.030 1 547 59 59 ALA HB H 1.654 0.030 1 548 59 59 ALA C C 180.003 0.300 1 549 59 59 ALA CA C 54.983 0.300 1 550 59 59 ALA CB C 18.865 0.300 1 551 59 59 ALA N N 124.932 0.300 1 552 60 60 ALA H H 7.659 0.030 1 553 60 60 ALA HA H 4.269 0.030 1 554 60 60 ALA HB H 1.613 0.030 1 555 60 60 ALA C C 179.936 0.300 1 556 60 60 ALA CA C 54.714 0.300 1 557 60 60 ALA CB C 18.259 0.300 1 558 60 60 ALA N N 119.048 0.300 1 559 61 61 GLN H H 7.666 0.030 1 560 61 61 GLN HA H 4.367 0.030 1 561 61 61 GLN HB2 H 2.288 0.030 2 562 61 61 GLN HB3 H 2.147 0.030 2 563 61 61 GLN HE21 H 7.532 0.030 2 564 61 61 GLN HE22 H 7.003 0.030 2 565 61 61 GLN HG2 H 2.555 0.030 2 566 61 61 GLN HG3 H 2.460 0.030 2 567 61 61 GLN C C 177.822 0.300 1 568 61 61 GLN CA C 57.934 0.300 1 569 61 61 GLN CB C 30.347 0.300 1 570 61 61 GLN CG C 34.619 0.300 1 571 61 61 GLN N N 114.811 0.300 1 572 61 61 GLN NE2 N 111.292 0.300 1 573 62 62 THR H H 8.117 0.030 1 574 62 62 THR HA H 4.490 0.030 1 575 62 62 THR HB H 4.398 0.030 1 576 62 62 THR HG2 H 1.257 0.030 1 577 62 62 THR C C 176.173 0.300 1 578 62 62 THR CA C 62.133 0.300 1 579 62 62 THR CB C 71.424 0.300 1 580 62 62 THR CG2 C 22.223 0.300 1 581 62 62 THR N N 106.594 0.300 1 582 63 63 GLY H H 8.301 0.030 1 583 63 63 GLY HA2 H 4.135 0.030 2 584 63 63 GLY HA3 H 3.981 0.030 2 585 63 63 GLY C C 174.808 0.300 1 586 63 63 GLY CA C 46.456 0.300 1 587 63 63 GLY N N 112.122 0.300 1 588 64 64 THR H H 7.658 0.030 1 589 64 64 THR HA H 4.514 0.030 1 590 64 64 THR HB H 4.098 0.030 1 591 64 64 THR HG2 H 1.024 0.030 1 592 64 64 THR C C 173.076 0.300 1 593 64 64 THR CA C 60.508 0.300 1 594 64 64 THR CB C 70.470 0.300 1 595 64 64 THR CG2 C 21.461 0.300 1 596 64 64 THR N N 113.279 0.300 1 597 65 65 ARG H H 8.268 0.030 1 598 65 65 ARG HA H 4.588 0.030 1 599 65 65 ARG HB2 H 1.690 0.030 2 600 65 65 ARG HB3 H 1.820 0.030 2 601 65 65 ARG HD2 H 3.228 0.030 1 602 65 65 ARG HD3 H 3.228 0.030 1 603 65 65 ARG HE H 7.233 0.030 1 604 65 65 ARG HG2 H 1.760 0.030 2 605 65 65 ARG HG3 H 1.695 0.030 2 606 65 65 ARG C C 179.370 0.300 1 607 65 65 ARG CA C 55.565 0.300 1 608 65 65 ARG CB C 30.938 0.300 1 609 65 65 ARG CD C 43.418 0.300 1 610 65 65 ARG CG C 27.154 0.300 1 611 65 65 ARG N N 120.563 0.300 1 612 65 65 ARG NE N 85.032 0.300 1 613 66 66 TRP H H 8.873 0.030 1 614 66 66 TRP HA H 4.144 0.030 1 615 66 66 TRP HB2 H 3.181 0.030 2 616 66 66 TRP HB3 H 3.110 0.030 2 617 66 66 TRP HD1 H 7.509 0.030 1 618 66 66 TRP HE1 H 10.290 0.030 1 619 66 66 TRP HE3 H 7.362 0.030 1 620 66 66 TRP HH2 H 7.286 0.030 1 621 66 66 TRP HZ2 H 7.554 0.030 1 622 66 66 TRP HZ3 H 7.130 0.030 1 623 66 66 TRP C C 175.873 0.300 1 624 66 66 TRP CA C 59.939 0.300 1 625 66 66 TRP CB C 27.968 0.300 1 626 66 66 TRP CD1 C 127.351 0.300 1 627 66 66 TRP CE3 C 120.434 0.300 1 628 66 66 TRP CH2 C 125.012 0.300 1 629 66 66 TRP CZ2 C 114.696 0.300 1 630 66 66 TRP CZ3 C 121.985 0.300 1 631 66 66 TRP N N 124.410 0.300 1 632 66 66 TRP NE1 N 130.052 0.300 1 633 67 67 ASN H H 6.970 0.030 1 634 67 67 ASN HA H 3.738 0.030 1 635 67 67 ASN HB2 H 2.356 0.030 2 636 67 67 ASN HB3 H 0.922 0.030 2 637 67 67 ASN HD21 H 7.283 0.030 2 638 67 67 ASN HD22 H 6.592 0.030 2 639 67 67 ASN C C 175.474 0.300 1 640 67 67 ASN CA C 53.764 0.300 1 641 67 67 ASN CB C 35.505 0.300 1 642 67 67 ASN N N 114.138 0.300 1 643 67 67 ASN ND2 N 112.454 0.300 1 644 68 68 LYS H H 7.589 0.030 1 645 68 68 LYS HA H 4.379 0.030 1 646 68 68 LYS HB2 H 1.807 0.030 2 647 68 68 LYS HB3 H 2.247 0.030 2 648 68 68 LYS HD2 H 1.636 0.030 1 649 68 68 LYS HD3 H 1.636 0.030 1 650 68 68 LYS HE2 H 2.943 0.030 2 651 68 68 LYS HE3 H 2.892 0.030 2 652 68 68 LYS HG2 H 1.395 0.030 2 653 68 68 LYS HG3 H 1.233 0.030 2 654 68 68 LYS C C 175.091 0.300 1 655 68 68 LYS CA C 55.138 0.300 1 656 68 68 LYS CB C 32.662 0.300 1 657 68 68 LYS CD C 28.509 0.300 1 658 68 68 LYS CE C 41.980 0.300 1 659 68 68 LYS CG C 24.668 0.300 1 660 68 68 LYS N N 118.097 0.300 1 661 69 69 ILE H H 7.089 0.030 1 662 69 69 ILE HA H 4.189 0.030 1 663 69 69 ILE HB H 1.968 0.030 1 664 69 69 ILE HD1 H 0.943 0.030 1 665 69 69 ILE HG12 H 1.933 0.030 2 666 69 69 ILE HG13 H 1.030 0.030 2 667 69 69 ILE HG2 H 0.780 0.030 1 668 69 69 ILE C C 175.274 0.300 1 669 69 69 ILE CA C 62.130 0.300 1 670 69 69 ILE CB C 39.358 0.300 1 671 69 69 ILE CD1 C 14.272 0.300 1 672 69 69 ILE CG1 C 28.525 0.300 1 673 69 69 ILE CG2 C 18.559 0.300 1 674 69 69 ILE N N 118.844 0.300 1 675 70 70 VAL H H 8.921 0.030 1 676 70 70 VAL HA H 4.008 0.030 1 677 70 70 VAL HB H 1.557 0.030 1 678 70 70 VAL HG1 H 0.782 0.030 1 679 70 70 VAL HG2 H 0.753 0.030 1 680 70 70 VAL C C 174.458 0.300 1 681 70 70 VAL CA C 61.606 0.300 1 682 70 70 VAL CB C 34.534 0.300 1 683 70 70 VAL CG1 C 21.014 0.300 1 684 70 70 VAL CG2 C 20.773 0.300 1 685 70 70 VAL N N 129.394 0.300 1 686 71 71 LEU H H 8.159 0.030 1 687 71 71 LEU HA H 5.633 0.030 1 688 71 71 LEU HB2 H 1.674 0.030 2 689 71 71 LEU HB3 H 1.332 0.030 2 690 71 71 LEU HD1 H 0.774 0.030 1 691 71 71 LEU HD2 H 0.868 0.030 1 692 71 71 LEU HG H 1.499 0.030 1 693 71 71 LEU C C 175.274 0.300 1 694 71 71 LEU CA C 52.514 0.300 1 695 71 71 LEU CB C 46.774 0.300 1 696 71 71 LEU CD1 C 26.561 0.300 2 697 71 71 LEU CD2 C 24.075 0.300 2 698 71 71 LEU CG C 27.047 0.300 1 699 71 71 LEU N N 124.671 0.300 1 700 72 72 LYS H H 8.879 0.030 1 701 72 72 LYS HA H 4.969 0.030 1 702 72 72 LYS HB2 H 1.543 0.030 2 703 72 72 LYS HB3 H 1.603 0.030 2 704 72 72 LYS HD2 H 1.406 0.030 2 705 72 72 LYS HD3 H 1.328 0.030 2 706 72 72 LYS HE2 H 2.654 0.030 2 707 72 72 LYS HE3 H 2.455 0.030 2 708 72 72 LYS HG2 H 1.123 0.030 2 709 72 72 LYS HG3 H 1.085 0.030 2 710 72 72 LYS C C 174.475 0.300 1 711 72 72 LYS CA C 54.245 0.300 1 712 72 72 LYS CB C 38.752 0.300 1 713 72 72 LYS CD C 29.873 0.300 1 714 72 72 LYS CE C 41.586 0.300 1 715 72 72 LYS CG C 24.705 0.300 1 716 72 72 LYS N N 120.637 0.300 1 717 73 73 LYS H H 7.829 0.030 1 718 73 73 LYS HA H 4.180 0.030 1 719 73 73 LYS HB2 H 1.640 0.030 1 720 73 73 LYS HB3 H 1.640 0.030 1 721 73 73 LYS HD2 H 1.543 0.030 2 722 73 73 LYS HD3 H 1.391 0.030 2 723 73 73 LYS HE2 H 2.747 0.030 2 724 73 73 LYS HE3 H 2.297 0.030 2 725 73 73 LYS HG2 H 0.842 0.030 1 726 73 73 LYS HG3 H 0.842 0.030 1 727 73 73 LYS C C 175.257 0.300 1 728 73 73 LYS CA C 56.314 0.300 1 729 73 73 LYS CB C 34.977 0.300 1 730 73 73 LYS CD C 28.789 0.300 1 731 73 73 LYS CE C 42.296 0.300 1 732 73 73 LYS CG C 24.615 0.300 1 733 73 73 LYS N N 119.554 0.300 1 734 74 74 TRP H H 9.240 0.030 1 735 74 74 TRP HA H 4.215 0.030 1 736 74 74 TRP HB2 H 3.668 0.030 2 737 74 74 TRP HB3 H 3.232 0.030 2 738 74 74 TRP HD1 H 7.224 0.030 1 739 74 74 TRP HE1 H 10.197 0.030 1 740 74 74 TRP HE3 H 7.578 0.030 1 741 74 74 TRP HH2 H 7.306 0.030 1 742 74 74 TRP HZ2 H 7.566 0.030 1 743 74 74 TRP HZ3 H 7.228 0.030 1 744 74 74 TRP CA C 58.452 0.300 1 745 74 74 TRP CB C 26.109 0.300 1 746 74 74 TRP CD1 C 125.949 0.300 1 747 74 74 TRP CE3 C 121.167 0.300 1 748 74 74 TRP CH2 C 124.859 0.300 1 749 74 74 TRP CZ2 C 114.543 0.300 1 750 74 74 TRP CZ3 C 122.033 0.300 1 751 74 74 TRP N N 127.509 0.300 1 752 74 74 TRP NE1 N 129.345 0.300 1 753 75 75 TYR H H 8.049 0.030 1 754 75 75 TYR HA H 4.501 0.030 1 755 75 75 TYR HB2 H 2.923 0.030 2 756 75 75 TYR HB3 H 3.168 0.030 2 757 75 75 TYR HD1 H 6.975 0.030 1 758 75 75 TYR HD2 H 6.975 0.030 1 759 75 75 TYR HE1 H 6.780 0.030 1 760 75 75 TYR HE2 H 6.780 0.030 1 761 75 75 TYR C C 175.823 0.300 1 762 75 75 TYR CA C 58.070 0.300 1 763 75 75 TYR CB C 37.652 0.300 1 764 75 75 TYR CD1 C 132.824 0.300 1 765 75 75 TYR CD2 C 132.824 0.300 1 766 75 75 TYR CE1 C 118.137 0.300 1 767 75 75 TYR CE2 C 118.137 0.300 1 768 76 76 THR H H 8.216 0.030 1 769 76 76 THR HA H 4.111 0.030 1 770 76 76 THR HB H 3.911 0.030 1 771 76 76 THR HG2 H 0.697 0.030 1 772 76 76 THR C C 172.293 0.300 1 773 76 76 THR CA C 63.383 0.300 1 774 76 76 THR CB C 70.120 0.300 1 775 76 76 THR CG2 C 21.524 0.300 1 776 76 76 THR N N 119.607 0.300 1 777 77 77 ILE H H 8.259 0.030 1 778 77 77 ILE HA H 4.033 0.030 1 779 77 77 ILE HB H 1.698 0.030 1 780 77 77 ILE HD1 H 0.805 0.030 1 781 77 77 ILE HG12 H 1.501 0.030 2 782 77 77 ILE HG13 H 0.784 0.030 2 783 77 77 ILE HG2 H 0.840 0.030 1 784 77 77 ILE C C 176.173 0.300 1 785 77 77 ILE CA C 60.550 0.300 1 786 77 77 ILE CB C 38.067 0.300 1 787 77 77 ILE CD1 C 13.151 0.300 1 788 77 77 ILE CG1 C 28.123 0.300 1 789 77 77 ILE CG2 C 17.956 0.300 1 790 77 77 ILE N N 126.800 0.300 1 791 78 78 PHE H H 7.777 0.030 1 792 78 78 PHE HA H 4.109 0.030 1 793 78 78 PHE HB2 H 2.438 0.030 2 794 78 78 PHE HB3 H 2.834 0.030 2 795 78 78 PHE HD1 H 5.838 0.030 1 796 78 78 PHE HD2 H 5.838 0.030 1 797 78 78 PHE HE1 H 6.834 0.030 1 798 78 78 PHE HE2 H 6.834 0.030 1 799 78 78 PHE HZ H 6.836 0.030 1 800 78 78 PHE C C 175.657 0.300 1 801 78 78 PHE CA C 58.384 0.300 1 802 78 78 PHE CB C 39.859 0.300 1 803 78 78 PHE CD1 C 130.168 0.300 1 804 78 78 PHE CD2 C 130.168 0.300 1 805 78 78 PHE CE1 C 130.636 0.300 1 806 78 78 PHE CE2 C 130.636 0.300 1 807 78 78 PHE CZ C 129.124 0.300 1 808 78 78 PHE N N 127.061 0.300 1 809 79 79 LYS H H 8.920 0.030 1 810 79 79 LYS HA H 4.595 0.030 1 811 79 79 LYS HB2 H 1.991 0.030 2 812 79 79 LYS HB3 H 2.101 0.030 2 813 79 79 LYS HD2 H 1.858 0.030 2 814 79 79 LYS HD3 H 1.811 0.030 2 815 79 79 LYS HE2 H 3.190 0.030 1 816 79 79 LYS HE3 H 3.190 0.030 1 817 79 79 LYS HG2 H 1.751 0.030 2 818 79 79 LYS HG3 H 1.647 0.030 2 819 79 79 LYS C C 178.105 0.300 1 820 79 79 LYS CA C 56.096 0.300 1 821 79 79 LYS CB C 33.921 0.300 1 822 79 79 LYS CD C 29.251 0.300 1 823 79 79 LYS CE C 42.671 0.300 1 824 79 79 LYS CG C 25.350 0.300 1 825 79 79 LYS N N 123.289 0.300 1 826 80 80 ASP H H 8.199 0.030 1 827 80 80 ASP HA H 4.382 0.030 1 828 80 80 ASP HB2 H 2.670 0.030 2 829 80 80 ASP HB3 H 2.628 0.030 2 830 80 80 ASP C C 177.971 0.300 1 831 80 80 ASP CA C 57.537 0.300 1 832 80 80 ASP CB C 41.548 0.300 1 833 80 80 ASP N N 117.771 0.300 1 834 81 81 HIS H H 8.271 0.030 1 835 81 81 HIS HA H 4.751 0.030 1 836 81 81 HIS HB2 H 3.410 0.030 2 837 81 81 HIS HB3 H 3.228 0.030 2 838 81 81 HIS HD2 H 7.218 0.030 1 839 81 81 HIS C C 173.875 0.300 1 840 81 81 HIS CA C 56.570 0.300 1 841 81 81 HIS CB C 29.390 0.300 1 842 81 81 HIS CD2 C 119.387 0.300 1 843 81 81 HIS N N 112.700 0.300 1 844 82 82 VAL H H 7.129 0.030 1 845 82 82 VAL HA H 3.984 0.030 1 846 82 82 VAL HB H 2.000 0.030 1 847 82 82 VAL HG1 H 0.522 0.030 1 848 82 82 VAL HG2 H 0.421 0.030 1 849 82 82 VAL C C 175.207 0.300 1 850 82 82 VAL CA C 61.889 0.300 1 851 82 82 VAL CB C 33.212 0.300 1 852 82 82 VAL CG1 C 21.696 0.300 2 853 82 82 VAL CG2 C 21.891 0.300 2 854 82 82 VAL N N 124.121 0.300 1 855 83 83 SER H H 8.860 0.030 1 856 83 83 SER HA H 4.806 0.030 1 857 83 83 SER HB2 H 4.264 0.030 2 858 83 83 SER HB3 H 3.958 0.030 2 859 83 83 SER C C 174.941 0.300 1 860 83 83 SER CA C 57.991 0.300 1 861 83 83 SER CB C 64.949 0.300 1 862 83 83 SER N N 121.811 0.300 1 863 84 84 LEU H H 8.822 0.030 1 864 84 84 LEU HA H 3.855 0.030 1 865 84 84 LEU HB2 H 1.773 0.030 2 866 84 84 LEU HB3 H 1.300 0.030 2 867 84 84 LEU HD1 H 0.765 0.030 1 868 84 84 LEU HD2 H 0.654 0.030 1 869 84 84 LEU HG H 1.678 0.030 1 870 84 84 LEU C C 180.919 0.300 1 871 84 84 LEU CA C 59.220 0.300 1 872 84 84 LEU CB C 40.514 0.300 1 873 84 84 LEU CD1 C 25.883 0.300 2 874 84 84 LEU CD2 C 24.852 0.300 2 875 84 84 LEU CG C 28.757 0.300 1 876 84 84 LEU N N 121.123 0.300 1 877 85 85 GLY H H 9.040 0.030 1 878 85 85 GLY HA2 H 4.008 0.030 2 879 85 85 GLY HA3 H 3.871 0.030 2 880 85 85 GLY C C 178.038 0.300 1 881 85 85 GLY CA C 47.055 0.300 1 882 85 85 GLY N N 104.932 0.300 1 883 86 86 ASP H H 8.077 0.030 1 884 86 86 ASP HA H 4.535 0.030 1 885 86 86 ASP HB2 H 2.748 0.030 2 886 86 86 ASP HB3 H 2.337 0.030 2 887 86 86 ASP C C 178.354 0.300 1 888 86 86 ASP CA C 56.889 0.300 1 889 86 86 ASP CB C 39.817 0.300 1 890 86 86 ASP N N 124.596 0.300 1 891 87 87 TYR H H 7.508 0.030 1 892 87 87 TYR HA H 4.846 0.030 1 893 87 87 TYR HB2 H 2.569 0.030 2 894 87 87 TYR HB3 H 3.417 0.030 2 895 87 87 TYR HD1 H 7.099 0.030 1 896 87 87 TYR HD2 H 7.099 0.030 1 897 87 87 TYR HE1 H 7.220 0.030 1 898 87 87 TYR HE2 H 7.220 0.030 1 899 87 87 TYR C C 174.441 0.300 1 900 87 87 TYR CA C 58.665 0.300 1 901 87 87 TYR CB C 39.680 0.300 1 902 87 87 TYR CD1 C 132.824 0.300 1 903 87 87 TYR CD2 C 132.824 0.300 1 904 87 87 TYR CE1 C 118.762 0.300 1 905 87 87 TYR CE2 C 118.762 0.300 1 906 87 87 TYR N N 119.255 0.300 1 907 88 88 GLU H H 8.006 0.030 1 908 88 88 GLU HA H 3.822 0.030 1 909 88 88 GLU HB2 H 2.268 0.030 2 910 88 88 GLU HB3 H 2.312 0.030 2 911 88 88 GLU HG2 H 2.261 0.030 1 912 88 88 GLU HG3 H 2.261 0.030 1 913 88 88 GLU C C 175.374 0.300 1 914 88 88 GLU CA C 57.202 0.300 1 915 88 88 GLU CB C 26.545 0.300 1 916 88 88 GLU CG C 36.578 0.300 1 917 88 88 GLU N N 114.475 0.300 1 918 89 89 ILE H H 7.617 0.030 1 919 89 89 ILE HA H 4.058 0.030 1 920 89 89 ILE HB H 1.476 0.030 1 921 89 89 ILE HD1 H 0.202 0.030 1 922 89 89 ILE HG12 H 1.301 0.030 2 923 89 89 ILE HG13 H 0.943 0.030 2 924 89 89 ILE HG2 H 0.629 0.030 1 925 89 89 ILE C C 174.508 0.300 1 926 89 89 ILE CA C 61.632 0.300 1 927 89 89 ILE CB C 36.803 0.300 1 928 89 89 ILE CD1 C 12.713 0.300 1 929 89 89 ILE CG1 C 27.984 0.300 1 930 89 89 ILE CG2 C 17.551 0.300 1 931 89 89 ILE N N 119.395 0.300 1 932 90 90 HIS H H 6.711 0.030 1 933 90 90 HIS HA H 4.931 0.030 1 934 90 90 HIS HB2 H 3.267 0.030 1 935 90 90 HIS HB3 H 3.267 0.030 1 936 90 90 HIS HD2 H 7.359 0.030 1 937 90 90 HIS C C 173.109 0.300 1 938 90 90 HIS CA C 52.408 0.300 1 939 90 90 HIS CB C 32.249 0.300 1 940 90 90 HIS CD2 C 121.262 0.300 1 941 90 90 HIS N N 121.941 0.300 1 942 91 91 ASP H H 8.745 0.030 1 943 91 91 ASP HA H 4.483 0.030 1 944 91 91 ASP HB2 H 2.748 0.030 2 945 91 91 ASP HB3 H 2.682 0.030 2 946 91 91 ASP C C 177.672 0.300 1 947 91 91 ASP CA C 56.867 0.300 1 948 91 91 ASP CB C 42.281 0.300 1 949 91 91 ASP N N 118.312 0.300 1 950 92 92 GLY H H 9.698 0.030 1 951 92 92 GLY HA2 H 4.221 0.030 2 952 92 92 GLY HA3 H 3.635 0.030 2 953 92 92 GLY C C 174.142 0.300 1 954 92 92 GLY CA C 45.173 0.300 1 955 92 92 GLY N N 115.969 0.300 1 956 93 93 MET H H 7.787 0.030 1 957 93 93 MET HA H 4.095 0.030 1 958 93 93 MET HB2 H 1.644 0.030 2 959 93 93 MET HB3 H 1.815 0.030 2 960 93 93 MET HE H 2.171 0.030 1 961 93 93 MET HG2 H 2.530 0.030 2 962 93 93 MET HG3 H 2.417 0.030 2 963 93 93 MET C C 173.892 0.300 1 964 93 93 MET CA C 57.262 0.300 1 965 93 93 MET CB C 34.066 0.300 1 966 93 93 MET CE C 17.883 0.300 1 967 93 93 MET CG C 32.759 0.300 1 968 93 93 MET N N 120.321 0.300 1 969 94 94 ASN H H 8.547 0.030 1 970 94 94 ASN HA H 5.735 0.030 1 971 94 94 ASN HB2 H 2.726 0.030 2 972 94 94 ASN HB3 H 2.387 0.030 2 973 94 94 ASN HD21 H 7.243 0.030 2 974 94 94 ASN HD22 H 6.923 0.030 2 975 94 94 ASN C C 174.724 0.300 1 976 94 94 ASN CA C 51.862 0.300 1 977 94 94 ASN CB C 40.327 0.300 1 978 94 94 ASN N N 122.019 0.300 1 979 94 94 ASN ND2 N 112.109 0.300 1 980 95 95 LEU H H 9.229 0.030 1 981 95 95 LEU HA H 4.655 0.030 1 982 95 95 LEU HB2 H 1.706 0.030 2 983 95 95 LEU HB3 H 1.377 0.030 2 984 95 95 LEU HD1 H 0.579 0.030 1 985 95 95 LEU HD2 H 0.696 0.030 1 986 95 95 LEU HG H 1.460 0.030 1 987 95 95 LEU C C 180.919 0.300 1 988 95 95 LEU CA C 53.247 0.300 1 989 95 95 LEU CB C 44.921 0.300 1 990 95 95 LEU CD1 C 25.701 0.300 2 991 95 95 LEU CD2 C 23.849 0.300 2 992 95 95 LEU CG C 27.562 0.300 1 993 95 95 LEU N N 122.579 0.300 1 994 96 96 GLU H H 8.782 0.030 1 995 96 96 GLU HA H 4.554 0.030 1 996 96 96 GLU HB2 H 2.060 0.030 2 997 96 96 GLU HB3 H 1.966 0.030 2 998 96 96 GLU HG2 H 2.298 0.030 2 999 96 96 GLU HG3 H 2.232 0.030 2 1000 96 96 GLU C C 173.725 0.300 1 1001 96 96 GLU CA C 56.043 0.300 1 1002 96 96 GLU CB C 31.100 0.300 1 1003 96 96 GLU CG C 35.844 0.300 1 1004 96 96 GLU N N 121.246 0.300 1 1005 97 97 LEU H H 7.826 0.030 1 1006 97 97 LEU HA H 4.952 0.030 1 1007 97 97 LEU HB2 H 0.893 0.030 2 1008 97 97 LEU HB3 H 1.156 0.030 2 1009 97 97 LEU HD1 H 0.736 0.030 1 1010 97 97 LEU HD2 H 0.635 0.030 1 1011 97 97 LEU HG H 1.135 0.030 1 1012 97 97 LEU C C 174.108 0.300 1 1013 97 97 LEU CA C 53.399 0.300 1 1014 97 97 LEU CB C 46.036 0.300 1 1015 97 97 LEU CD1 C 26.066 0.300 1 1016 97 97 LEU CD2 C 26.040 0.300 1 1017 97 97 LEU CG C 27.494 0.300 1 1018 97 97 LEU N N 124.708 0.300 1 1019 98 98 TYR H H 8.874 0.030 1 1020 98 98 TYR HA H 4.519 0.030 1 1021 98 98 TYR HB2 H 2.741 0.030 2 1022 98 98 TYR HB3 H 3.110 0.030 2 1023 98 98 TYR HD1 H 6.993 0.030 1 1024 98 98 TYR HD2 H 6.993 0.030 1 1025 98 98 TYR HE1 H 6.688 0.030 1 1026 98 98 TYR HE2 H 6.688 0.030 1 1027 98 98 TYR C C 172.760 0.300 1 1028 98 98 TYR CA C 56.389 0.300 1 1029 98 98 TYR CB C 40.796 0.300 1 1030 98 98 TYR CD1 C 133.220 0.300 1 1031 98 98 TYR CD2 C 133.220 0.300 1 1032 98 98 TYR CE1 C 117.916 0.300 1 1033 98 98 TYR CE2 C 117.916 0.300 1 1034 98 98 TYR N N 124.746 0.300 1 1035 99 99 TYR H H 8.421 0.030 1 1036 99 99 TYR HA H 5.258 0.030 1 1037 99 99 TYR HB2 H 2.790 0.030 2 1038 99 99 TYR HB3 H 3.157 0.030 2 1039 99 99 TYR HD1 H 7.089 0.030 1 1040 99 99 TYR HD2 H 7.089 0.030 1 1041 99 99 TYR HE1 H 6.739 0.030 1 1042 99 99 TYR HE2 H 6.739 0.030 1 1043 99 99 TYR C C 175.590 0.300 1 1044 99 99 TYR CA C 56.838 0.300 1 1045 99 99 TYR CB C 40.160 0.300 1 1046 99 99 TYR CD1 C 133.220 0.300 1 1047 99 99 TYR CD2 C 133.220 0.300 1 1048 99 99 TYR CE1 C 117.834 0.300 1 1049 99 99 TYR CE2 C 117.834 0.300 1 1050 99 99 TYR N N 119.626 0.300 1 1051 100 100 GLN H H 8.618 0.030 1 1052 100 100 GLN HA H 4.307 0.030 1 1053 100 100 GLN HB2 H 2.056 0.030 2 1054 100 100 GLN HB3 H 1.930 0.030 2 1055 100 100 GLN HE21 H 7.298 0.030 2 1056 100 100 GLN HE22 H 6.769 0.030 2 1057 100 100 GLN HG2 H 2.240 0.030 1 1058 100 100 GLN HG3 H 2.240 0.030 1 1059 100 100 GLN C C 180.053 0.300 1 1060 100 100 GLN CA C 56.935 0.300 1 1061 100 100 GLN CB C 30.762 0.300 1 1062 100 100 GLN CG C 34.234 0.300 1 1063 100 100 GLN N N 126.538 0.300 1 1064 100 100 GLN NE2 N 111.643 0.300 1 stop_ save_