data_15971 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE LSM DOMAIN OF DROSOPHILA MELANOGASTER TRAL (TRAILER HITCH) ; _BMRB_accession_number 15971 _BMRB_flat_file_name bmr15971.str _Entry_type original _Submission_date 2008-10-02 _Accession_date 2008-10-02 _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 Tritschler F. . . 2 Coles M. . . 3 Truffault V. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 481 "13C chemical shifts" 346 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-18 original author . stop_ _Original_release_date 2009-03-18 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Similar Modes of Interaction Enables Trailer Hitch and Edc3 to Associate with Dcp1 and Me31B in Distinct Protein Complexes' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18765641 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tritschler F. . . 2 Eulalio A. . . 3 Helms S. . . 4 Weichenrieder O. . . 5 Schmidt S. . . 6 Izaurralde E. . . 7 Truffault V. . . stop_ _Journal_abbreviation 'Mol. Cell. Biol.' _Journal_name_full 'Molecular and Cellular Biology' _Journal_volume 28 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6695 _Page_last 6708 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DANIO RERIO RAP55' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DANIO RERIO RAP55' $DANIO_RERIO_RAP55 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_DANIO_RERIO_RAP55 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DANIO_RERIO_RAP55 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GHHHHHHLEDPSGGTPYIGS KISLISKAEIRYEGILYTID TENSTVALAKVRSFGTEDRP TDRPIAPRDETFEYIIFRGS DIKDLTVCEPPKPIM ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 GLU 10 ASP 11 PRO 12 SER 13 GLY 14 GLY 15 THR 16 PRO 17 TYR 18 ILE 19 GLY 20 SER 21 LYS 22 ILE 23 SER 24 LEU 25 ILE 26 SER 27 LYS 28 ALA 29 GLU 30 ILE 31 ARG 32 TYR 33 GLU 34 GLY 35 ILE 36 LEU 37 TYR 38 THR 39 ILE 40 ASP 41 THR 42 GLU 43 ASN 44 SER 45 THR 46 VAL 47 ALA 48 LEU 49 ALA 50 LYS 51 VAL 52 ARG 53 SER 54 PHE 55 GLY 56 THR 57 GLU 58 ASP 59 ARG 60 PRO 61 THR 62 ASP 63 ARG 64 PRO 65 ILE 66 ALA 67 PRO 68 ARG 69 ASP 70 GLU 71 THR 72 PHE 73 GLU 74 TYR 75 ILE 76 ILE 77 PHE 78 ARG 79 GLY 80 SER 81 ASP 82 ILE 83 LYS 84 ASP 85 LEU 86 THR 87 VAL 88 CYS 89 GLU 90 PRO 91 PRO 92 LYS 93 PRO 94 ILE 95 MET 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 2FB7 "Nmr Solution Structure Of Protein From Zebra Fish Dr.13312" 100.00 95 100.00 100.00 2.47e-61 PDB 2VXF "Solution Structure Of The Lsm-Domain Of Zebrafish Rap55" 100.00 95 100.00 100.00 2.47e-61 DBJ BAB55259 "unnamed protein product [Homo sapiens]" 86.32 463 97.56 97.56 3.04e-44 DBJ BAC99045 "alphaSNBP(A) [Homo sapiens]" 86.32 463 97.56 97.56 7.20e-46 DBJ BAC99046 "alphaSNBP(B) [Homo sapiens]" 86.32 463 97.56 97.56 5.91e-46 DBJ BAF36055 "RAP55 protein [Xenopus laevis]" 86.32 471 97.56 97.56 9.96e-46 DBJ BAG10232 "LSM14 protein homolog A [synthetic construct]" 86.32 463 97.56 97.56 7.20e-46 EMBL CAG31566 "hypothetical protein RCJMB04_8b16 [Gallus gallus]" 86.32 461 97.56 97.56 7.20e-46 EMBL CAH93252 "hypothetical protein [Pongo abelii]" 86.32 463 97.56 97.56 6.83e-46 EMBL CDQ65324 "unnamed protein product [Oncorhynchus mykiss]" 86.32 166 97.56 97.56 1.92e-48 EMBL CDQ79842 "unnamed protein product [Oncorhynchus mykiss]" 85.26 444 97.53 97.53 6.13e-45 EMBL CDQ84551 "unnamed protein product [Oncorhynchus mykiss]" 85.26 447 97.53 97.53 6.70e-45 GB AAH16842 "LSM14A protein [Homo sapiens]" 86.32 463 97.56 97.56 5.91e-46 GB AAH31521 "LSM14 homolog A (SCD6, S. cerevisiae) [Mus musculus]" 86.32 462 97.56 97.56 9.99e-46 GB AAH42251 "MGC53350 protein [Xenopus laevis]" 86.32 471 97.56 97.56 5.63e-46 GB AAH54659 "Lsm14a protein [Danio rerio]" 86.32 243 100.00 100.00 2.85e-49 GB AAH55387 "Lsm14a protein [Danio rerio]" 88.42 85 100.00 100.00 4.51e-52 REF NP_001012796 "protein LSM14 homolog A [Gallus gallus]" 86.32 461 97.56 97.56 7.20e-46 REF NP_001029826 "protein LSM14 homolog A [Bos taurus]" 86.32 463 97.56 97.56 8.07e-46 REF NP_001079434 "protein LSM14 homolog A-B [Xenopus laevis]" 86.32 471 97.56 97.56 5.63e-46 REF NP_001087507 "protein LSM14 homolog A-A [Xenopus laevis]" 86.32 471 97.56 97.56 9.96e-46 REF NP_001107565 "protein LSM14 homolog A isoform a [Homo sapiens]" 86.32 463 97.56 97.56 7.20e-46 SP A0A8M2 "RecName: Full=Protein LSM14 homolog A-A; AltName: Full=RNA-associated protein 55A-A; Short=RAP55A-A; Short=xRAP55; Short=xRAP55" 86.32 471 97.56 97.56 9.96e-46 SP Q3MHF8 "RecName: Full=Protein LSM14 homolog A; AltName: Full=Protein FAM61A; AltName: Full=RNA-associated protein 55A" 86.32 463 97.56 97.56 8.07e-46 SP Q5R4R4 "RecName: Full=Protein LSM14 homolog A; AltName: Full=Protein FAM61A; AltName: Full=RNA-associated protein 55A" 86.32 463 97.56 97.56 6.83e-46 SP Q6NVR8 "RecName: Full=Protein LSM14 homolog A; AltName: Full=RNA-associated protein 55A; Short=RAP55A" 86.32 469 97.56 97.56 5.25e-46 SP Q8AVJ2 "RecName: Full=Protein LSM14 homolog A-B; AltName: Full=RNA-associated protein 55A-B; Short=RAP55A-B" 86.32 471 97.56 97.56 5.63e-46 TPG DAA19959 "TPA: protein LSM14 homolog A [Bos taurus]" 86.32 463 97.56 97.56 7.42e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DANIO_RERIO_RAP55 'Zebra fish' 7955 Eukaryota Metazoa Danio rerio 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 $DANIO_RERIO_RAP55 'recombinant technology' . CELL-FREE SYNTHESIS . PEU-HIS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '100 MM NACL, 10 MM BIS- TRIS, PH 7.0, 5 MM DTT, 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DANIO_RERIO_RAP55 0.8 mM '[U-13C; U-15N]' NACL 100 mM 'natural abundance' 'BIS- TRIS' 10 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 2.9.4 loop_ _Vendor _Address _Electronic_address BRUNGER . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITYINOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-SEPARATED_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-SEPARATED_NOESY _Sample_label $sample_1 save_ save_3D_13C-SEPARATED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-SEPARATED_NOESY _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _Sample_label $sample_1 save_ save_HCCCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH _Sample_label $sample_1 save_ save_CBCACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HBHACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_1 save_ save_HCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCH-TOCSY _Sample_label $sample_1 save_ save_CCH-_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCH- TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '15N, 13C' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.0 . pH pressure 1.0 . atm temperature 289.0 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 water H 1 protons ppm 4.7 na direct . . . 1.0 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCO HNCACB CCCONH HCCCONH CBCACONH HBHACONH HCH-TOCSY 'CCH- TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DANIO RERIO RAP55' _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 7 7 HIS HA H 4.60 . . 2 7 7 HIS HB2 H 3.08 . . 3 7 7 HIS HB3 H 3.08 . . 4 7 7 HIS C C 174.78 . . 5 7 7 HIS CA C 56.47 . . 6 7 7 HIS CB C 30.01 . . 7 8 8 LEU H H 8.31 . . 8 8 8 LEU HA H 4.26 . . 9 8 8 LEU HB2 H 1.45 . . 10 8 8 LEU HB3 H 1.52 . . 11 8 8 LEU HD1 H 0.71 . . 12 8 8 LEU HD2 H 0.75 . . 13 8 8 LEU HG H 1.40 . . 14 8 8 LEU C C 176.43 . . 15 8 8 LEU CA C 55.08 . . 16 8 8 LEU CB C 42.25 . . 17 8 8 LEU CD1 C 23.50 . . 18 8 8 LEU CD2 C 25.13 . . 19 8 8 LEU CG C 26.93 . . 20 8 8 LEU N N 122.47 . . 21 9 9 GLU H H 8.30 . . 22 9 9 GLU HA H 4.22 . . 23 9 9 GLU HB2 H 1.88 . . 24 9 9 GLU HB3 H 2.00 . . 25 9 9 GLU HG2 H 2.20 . . 26 9 9 GLU HG3 H 2.20 . . 27 9 9 GLU C C 175.90 . . 28 9 9 GLU CA C 56.93 . . 29 9 9 GLU CB C 30.66 . . 30 9 9 GLU CG C 36.26 . . 31 9 9 GLU N N 120.04 . . 32 10 10 ASP H H 8.04 . . 33 10 10 ASP HA H 4.89 . . 34 10 10 ASP HB2 H 2.66 . . 35 10 10 ASP HB3 H 2.72 . . 36 10 10 ASP CA C 52.24 . . 37 10 10 ASP CB C 41.92 . . 38 10 10 ASP N N 120.24 . . 39 11 11 PRO HA H 4.29 . . 40 11 11 PRO HB2 H 1.93 . . 41 11 11 PRO HB3 H 2.18 . . 42 11 11 PRO HD2 H 3.82 . . 43 11 11 PRO HD3 H 3.82 . . 44 11 11 PRO HG2 H 1.88 . . 45 11 11 PRO HG3 H 2.00 . . 46 11 11 PRO CA C 64.53 . . 47 11 11 PRO CB C 32.03 . . 48 11 11 PRO CD C 50.80 . . 49 11 11 PRO CG C 27.34 . . 50 12 12 SER H H 8.45 . . 51 12 12 SER HA H 4.34 . . 52 12 12 SER HB2 H 3.93 . . 53 12 12 SER HB3 H 3.93 . . 54 12 12 SER C C 175.61 . . 55 12 12 SER CA C 59.97 . . 56 12 12 SER CB C 63.64 . . 57 12 12 SER N N 114.09 . . 58 13 13 GLY H H 8.21 . . 59 13 13 GLY HA2 H 4.04 . . 60 13 13 GLY HA3 H 4.04 . . 61 13 13 GLY C C 174.75 . . 62 13 13 GLY CA C 45.75 . . 63 13 13 GLY N N 110.16 . . 64 14 14 GLY H H 8.21 . . 65 14 14 GLY HA2 H 3.79 . . 66 14 14 GLY HA3 H 4.07 . . 67 14 14 GLY CA C 45.68 . . 68 14 14 GLY N N 107.51 . . 69 15 15 THR H H 7.89 . . 70 15 15 THR HA H 4.35 . . 71 15 15 THR HB H 4.10 . . 72 15 15 THR HG2 H 1.19 . . 73 15 15 THR CA C 62.78 . . 74 15 15 THR CB C 69.01 . . 75 15 15 THR CG2 C 21.65 . . 76 15 15 THR N N 115.90 . . 77 16 16 PRO HA H 4.42 . . 78 16 16 PRO HB2 H 1.95 . . 79 16 16 PRO HB3 H 2.28 . . 80 16 16 PRO HD2 H 3.63 . . 81 16 16 PRO HD3 H 3.83 . . 82 16 16 PRO HG2 H 2.01 . . 83 16 16 PRO HG3 H 2.01 . . 84 16 16 PRO CA C 63.34 . . 85 16 16 PRO CB C 31.91 . . 86 16 16 PRO CD C 50.46 . . 87 16 16 PRO CG C 27.35 . . 88 17 17 TYR H H 7.71 . . 89 17 17 TYR HD1 H 7.04 . . 90 17 17 TYR HD2 H 7.04 . . 91 17 17 TYR CA C 63.40 . . 92 17 17 TYR CB C 40.01 . . 93 17 17 TYR N N 125.26 . . 94 18 18 ILE HA H 3.55 . . 95 18 18 ILE HB H 1.86 . . 96 18 18 ILE HD1 H 0.79 . . 97 18 18 ILE HG12 H 1.26 . . 98 18 18 ILE HG13 H 1.59 . . 99 18 18 ILE HG2 H 0.92 . . 100 18 18 ILE C C 177.31 . . 101 18 18 ILE CA C 63.36 . . 102 18 18 ILE CB C 36.40 . . 103 18 18 ILE CD1 C 11.19 . . 104 18 18 ILE CG1 C 28.02 . . 105 18 18 ILE CG2 C 17.56 . . 106 19 19 GLY H H 9.30 . . 107 19 19 GLY HA2 H 3.60 . . 108 19 19 GLY HA3 H 4.58 . . 109 19 19 GLY C C 174.77 . . 110 19 19 GLY CA C 45.02 . . 111 19 19 GLY N N 115.91 . . 112 20 20 SER H H 8.31 . . 113 20 20 SER HA H 4.45 . . 114 20 20 SER HB2 H 3.83 . . 115 20 20 SER HB3 H 3.92 . . 116 20 20 SER C C 172.52 . . 117 20 20 SER CA C 59.80 . . 118 20 20 SER CB C 64.66 . . 119 20 20 SER N N 117.26 . . 120 21 21 LYS H H 8.70 . . 121 21 21 LYS HA H 4.70 . . 122 21 21 LYS HB2 H 1.76 . . 123 21 21 LYS HB3 H 1.76 . . 124 21 21 LYS HD2 H 1.64 . . 125 21 21 LYS HD3 H 1.64 . . 126 21 21 LYS HG2 H 1.40 . . 127 21 21 LYS HG3 H 1.40 . . 128 21 21 LYS C C 175.32 . . 129 21 21 LYS CA C 56.95 . . 130 21 21 LYS CB C 33.03 . . 131 21 21 LYS CD C 29.31 . . 132 21 21 LYS CE C 42.33 . . 133 21 21 LYS CG C 25.41 . . 134 21 21 LYS N N 124.09 . . 135 22 22 ILE H H 9.24 . . 136 22 22 ILE HA H 4.99 . . 137 22 22 ILE HB H 1.90 . . 138 22 22 ILE HD1 H 0.73 . . 139 22 22 ILE HG12 H 1.41 . . 140 22 22 ILE HG13 H 1.19 . . 141 22 22 ILE HG2 H 0.80 . . 142 22 22 ILE C C 174.37 . . 143 22 22 ILE CA C 58.00 . . 144 22 22 ILE CB C 41.28 . . 145 22 22 ILE CD1 C 13.24 . . 146 22 22 ILE CG1 C 27.44 . . 147 22 22 ILE CG2 C 19.21 . . 148 22 22 ILE N N 125.56 . . 149 23 23 SER H H 8.64 . . 150 23 23 SER HA H 5.53 . . 151 23 23 SER HB2 H 3.62 . . 152 23 23 SER HB3 H 3.48 . . 153 23 23 SER C C 173.44 . . 154 23 23 SER CA C 56.21 . . 155 23 23 SER CB C 64.22 . . 156 23 23 SER N N 117.43 . . 157 24 24 LEU H H 9.43 . . 158 24 24 LEU HA H 5.13 . . 159 24 24 LEU HB2 H 1.37 . . 160 24 24 LEU HB3 H 1.30 . . 161 24 24 LEU HD1 H 0.03 . . 162 24 24 LEU HD2 H 0.07 . . 163 24 24 LEU HG H 1.39 . . 164 24 24 LEU C C 174.59 . . 165 24 24 LEU CA C 54.33 . . 166 24 24 LEU CB C 46.98 . . 167 24 24 LEU CD1 C 24.05 . . 168 24 24 LEU CD2 C 26.17 . . 169 24 24 LEU CG C 26.86 . . 170 24 24 LEU N N 131.51 . . 171 25 25 ILE H H 8.89 . . 172 25 25 ILE HA H 5.15 . . 173 25 25 ILE HB H 1.56 . . 174 25 25 ILE HD1 H 0.77 . . 175 25 25 ILE HG12 H 0.63 . . 176 25 25 ILE HG13 H 1.70 . . 177 25 25 ILE HG2 H 0.91 . . 178 25 25 ILE C C 176.40 . . 179 25 25 ILE CA C 59.84 . . 180 25 25 ILE CB C 39.71 . . 181 25 25 ILE CD1 C 12.77 . . 182 25 25 ILE CG1 C 28.28 . . 183 25 25 ILE CG2 C 17.05 . . 184 25 25 ILE N N 124.68 . . 185 26 26 SER H H 9.50 . . 186 26 26 SER HA H 5.23 . . 187 26 26 SER HB2 H 4.02 . . 188 26 26 SER HB3 H 4.02 . . 189 26 26 SER C C 176.23 . . 190 26 26 SER CA C 57.01 . . 191 26 26 SER CB C 67.12 . . 192 26 26 SER N N 125.51 . . 193 27 27 LYS H H 8.52 . . 194 27 27 LYS HA H 4.04 . . 195 27 27 LYS HB2 H 1.97 . . 196 27 27 LYS HB3 H 1.97 . . 197 27 27 LYS HD2 H 1.78 . . 198 27 27 LYS HD3 H 1.78 . . 199 27 27 LYS HE2 H 2.88 . . 200 27 27 LYS HE3 H 2.99 . . 201 27 27 LYS HG2 H 1.29 . . 202 27 27 LYS HG3 H 1.49 . . 203 27 27 LYS C C 176.84 . . 204 27 27 LYS CA C 58.99 . . 205 27 27 LYS CB C 32.04 . . 206 27 27 LYS CD C 29.09 . . 207 27 27 LYS CE C 42.45 . . 208 27 27 LYS CG C 26.46 . . 209 27 27 LYS N N 119.27 . . 210 28 28 ALA H H 7.75 . . 211 28 28 ALA HA H 4.48 . . 212 28 28 ALA HB H 1.42 . . 213 28 28 ALA C C 175.65 . . 214 28 28 ALA CA C 52.30 . . 215 28 28 ALA CB C 18.94 . . 216 28 28 ALA N N 121.41 . . 217 29 29 GLU H H 8.19 . . 218 29 29 GLU HA H 4.20 . . 219 29 29 GLU HB2 H 2.17 . . 220 29 29 GLU HB3 H 2.35 . . 221 29 29 GLU HG2 H 2.01 . . 222 29 29 GLU HG3 H 2.36 . . 223 29 29 GLU C C 176.20 . . 224 29 29 GLU CA C 56.75 . . 225 29 29 GLU CB C 25.00 . . 226 29 29 GLU CG C 33.09 . . 227 29 29 GLU N N 108.92 . . 228 30 30 ILE H H 6.91 . . 229 30 30 ILE HA H 3.71 . . 230 30 30 ILE HB H 1.62 . . 231 30 30 ILE HD1 H 0.87 . . 232 30 30 ILE HG12 H 0.47 . . 233 30 30 ILE HG13 H 1.51 . . 234 30 30 ILE HG2 H 0.24 . . 235 30 30 ILE C C 173.88 . . 236 30 30 ILE CA C 60.76 . . 237 30 30 ILE CB C 38.56 . . 238 30 30 ILE CD1 C 13.34 . . 239 30 30 ILE CG1 C 29.00 . . 240 30 30 ILE CG2 C 18.09 . . 241 30 30 ILE N N 121.09 . . 242 31 31 ARG H H 7.57 . . 243 31 31 ARG HA H 5.55 . . 244 31 31 ARG HB2 H 1.84 . . 245 31 31 ARG HB3 H 1.46 . . 246 31 31 ARG HD2 H 2.60 . . 247 31 31 ARG HD3 H 3.19 . . 248 31 31 ARG HG2 H 1.33 . . 249 31 31 ARG HG3 H 1.33 . . 250 31 31 ARG C C 173.41 . . 251 31 31 ARG CA C 54.35 . . 252 31 31 ARG CB C 35.53 . . 253 31 31 ARG CD C 43.31 . . 254 31 31 ARG CG C 28.65 . . 255 31 31 ARG N N 126.81 . . 256 32 32 TYR H H 9.68 . . 257 32 32 TYR HA H 5.84 . . 258 32 32 TYR HB2 H 2.81 . . 259 32 32 TYR HB3 H 2.56 . . 260 32 32 TYR HD1 H 6.92 . . 261 32 32 TYR HD2 H 6.92 . . 262 32 32 TYR HE1 H 6.66 . . 263 32 32 TYR HE2 H 6.66 . . 264 32 32 TYR C C 175.90 . . 265 32 32 TYR CA C 56.06 . . 266 32 32 TYR CB C 41.86 . . 267 32 32 TYR N N 125.19 . . 268 33 33 GLU H H 9.03 . . 269 33 33 GLU HA H 5.92 . . 270 33 33 GLU HB2 H 2.16 . . 271 33 33 GLU HB3 H 2.16 . . 272 33 33 GLU HG2 H 2.26 . . 273 33 33 GLU HG3 H 2.38 . . 274 33 33 GLU C C 176.65 . . 275 33 33 GLU CA C 54.47 . . 276 33 33 GLU CB C 34.75 . . 277 33 33 GLU CG C 36.74 . . 278 33 33 GLU N N 118.13 . . 279 34 34 GLY H H 8.60 . . 280 34 34 GLY HA2 H 4.65 . . 281 34 34 GLY HA3 H 3.81 . . 282 34 34 GLY C C 170.20 . . 283 34 34 GLY CA C 46.05 . . 284 34 34 GLY N N 108.53 . . 285 35 35 ILE H H 9.30 . . 286 35 35 ILE HA H 4.69 . . 287 35 35 ILE HB H 1.88 . . 288 35 35 ILE HD1 H 0.80 . . 289 35 35 ILE HG2 H 0.83 . . 290 35 35 ILE C C 177.39 . . 291 35 35 ILE CA C 58.92 . . 292 35 35 ILE CB C 39.09 . . 293 35 35 ILE CD1 C 11.15 . . 294 35 35 ILE CG1 C 27.04 . . 295 35 35 ILE CG2 C 17.18 . . 296 35 35 ILE N N 120.97 . . 297 36 36 LEU H H 9.06 . . 298 36 36 LEU HA H 4.36 . . 299 36 36 LEU HB2 H 2.21 . . 300 36 36 LEU HB3 H 1.34 . . 301 36 36 LEU HD1 H 0.85 . . 302 36 36 LEU HD2 H 0.76 . . 303 36 36 LEU HG H 1.36 . . 304 36 36 LEU C C 174.98 . . 305 36 36 LEU CA C 56.92 . . 306 36 36 LEU CB C 40.95 . . 307 36 36 LEU CD1 C 23.99 . . 308 36 36 LEU CD2 C 26.23 . . 309 36 36 LEU CG C 27.28 . . 310 36 36 LEU N N 128.02 . . 311 37 37 TYR H H 9.24 . . 312 37 37 TYR HA H 4.86 . . 313 37 37 TYR HB2 H 2.90 . . 314 37 37 TYR HB3 H 3.06 . . 315 37 37 TYR HD1 H 7.09 . . 316 37 37 TYR HD2 H 7.09 . . 317 37 37 TYR C C 174.96 . . 318 37 37 TYR CA C 60.16 . . 319 37 37 TYR CB C 41.30 . . 320 37 37 TYR N N 133.06 . . 321 38 38 THR H H 7.66 . . 322 38 38 THR HA H 4.42 . . 323 38 38 THR HB H 3.96 . . 324 38 38 THR HG2 H 0.98 . . 325 38 38 THR C C 172.23 . . 326 38 38 THR CA C 61.80 . . 327 38 38 THR CB C 71.92 . . 328 38 38 THR CG2 C 21.52 . . 329 38 38 THR N N 109.06 . . 330 39 39 ILE H H 8.40 . . 331 39 39 ILE HA H 4.52 . . 332 39 39 ILE HB H 1.71 . . 333 39 39 ILE HD1 H 0.83 . . 334 39 39 ILE HG12 H 1.52 . . 335 39 39 ILE HG2 H 0.83 . . 336 39 39 ILE C C 173.74 . . 337 39 39 ILE CA C 61.15 . . 338 39 39 ILE CB C 41.27 . . 339 39 39 ILE CD1 C 13.85 . . 340 39 39 ILE CG1 C 28.09 . . 341 39 39 ILE CG2 C 16.74 . . 342 39 39 ILE N N 123.05 . . 343 40 40 ASP H H 8.48 . . 344 40 40 ASP HA H 4.99 . . 345 40 40 ASP HB2 H 3.32 . . 346 40 40 ASP HB3 H 2.37 . . 347 40 40 ASP C C 177.42 . . 348 40 40 ASP CA C 52.23 . . 349 40 40 ASP CB C 41.63 . . 350 40 40 ASP N N 127.36 . . 351 41 41 THR H H 8.73 . . 352 41 41 THR HA H 4.11 . . 353 41 41 THR HB H 4.30 . . 354 41 41 THR HG2 H 1.24 . . 355 41 41 THR C C 176.52 . . 356 41 41 THR CA C 64.42 . . 357 41 41 THR CB C 68.56 . . 358 41 41 THR CG2 C 22.19 . . 359 41 41 THR N N 117.37 . . 360 42 42 GLU H H 8.41 . . 361 42 42 GLU HA H 4.18 . . 362 42 42 GLU HB2 H 2.09 . . 363 42 42 GLU HB3 H 2.09 . . 364 42 42 GLU HG2 H 2.24 . . 365 42 42 GLU HG3 H 2.24 . . 366 42 42 GLU C C 177.84 . . 367 42 42 GLU CA C 59.12 . . 368 42 42 GLU CB C 29.79 . . 369 42 42 GLU CG C 36.30 . . 370 42 42 GLU N N 123.36 . . 371 43 43 ASN H H 7.89 . . 372 43 43 ASN HA H 4.78 . . 373 43 43 ASN HB2 H 2.47 . . 374 43 43 ASN HB3 H 2.75 . . 375 43 43 ASN HD21 H 8.48 . . 376 43 43 ASN HD22 H 6.95 . . 377 43 43 ASN C C 174.36 . . 378 43 43 ASN CA C 52.92 . . 379 43 43 ASN CB C 39.46 . . 380 43 43 ASN N N 114.57 . . 381 43 43 ASN ND2 N 116.93 . . 382 44 44 SER H H 7.73 . . 383 44 44 SER HA H 4.06 . . 384 44 44 SER HB2 H 3.94 . . 385 44 44 SER HB3 H 4.16 . . 386 44 44 SER C C 173.86 . . 387 44 44 SER CA C 58.87 . . 388 44 44 SER CB C 61.72 . . 389 44 44 SER N N 115.06 . . 390 45 45 THR H H 8.19 . . 391 45 45 THR HA H 5.20 . . 392 45 45 THR HB H 3.97 . . 393 45 45 THR HG2 H 1.03 . . 394 45 45 THR C C 173.96 . . 395 45 45 THR CA C 60.16 . . 396 45 45 THR CB C 72.51 . . 397 45 45 THR CG2 C 21.49 . . 398 45 45 THR N N 110.94 . . 399 46 46 VAL H H 8.93 . . 400 46 46 VAL HA H 4.52 . . 401 46 46 VAL HB H 1.84 . . 402 46 46 VAL HG1 H 0.72 . . 403 46 46 VAL HG2 H 0.72 . . 404 46 46 VAL C C 173.20 . . 405 46 46 VAL CA C 61.05 . . 406 46 46 VAL CB C 35.66 . . 407 46 46 VAL CG1 C 20.99 . . 408 46 46 VAL N N 120.72 . . 409 47 47 ALA H H 8.86 . . 410 47 47 ALA HA H 5.49 . . 411 47 47 ALA HB H 1.36 . . 412 47 47 ALA C C 176.18 . . 413 47 47 ALA CA C 50.62 . . 414 47 47 ALA CB C 22.13 . . 415 47 47 ALA N N 127.53 . . 416 48 48 LEU H H 8.88 . . 417 48 48 LEU HA H 5.43 . . 418 48 48 LEU HB2 H 1.30 . . 419 48 48 LEU HB3 H 1.71 . . 420 48 48 LEU HD1 H 0.69 . . 421 48 48 LEU HD2 H 0.68 . . 422 48 48 LEU HG H 1.63 . . 423 48 48 LEU C C 174.08 . . 424 48 48 LEU CA C 52.86 . . 425 48 48 LEU CB C 46.58 . . 426 48 48 LEU CD1 C 24.17 . . 427 48 48 LEU CD2 C 25.00 . . 428 48 48 LEU CG C 28.19 . . 429 48 48 LEU N N 122.52 . . 430 49 49 ALA H H 9.51 . . 431 49 49 ALA HA H 5.23 . . 432 49 49 ALA HB H 1.26 . . 433 49 49 ALA C C 177.13 . . 434 49 49 ALA CA C 49.61 . . 435 49 49 ALA CB C 23.48 . . 436 49 49 ALA N N 122.59 . . 437 50 50 LYS H H 8.06 . . 438 50 50 LYS HA H 3.63 . . 439 50 50 LYS HB2 H 1.66 . . 440 50 50 LYS HB3 H 2.11 . . 441 50 50 LYS HD2 H 2.10 . . 442 50 50 LYS HD3 H 2.10 . . 443 50 50 LYS HE2 H 3.00 . . 444 50 50 LYS HE3 H 3.00 . . 445 50 50 LYS HG2 H 1.41 . . 446 50 50 LYS HG3 H 1.41 . . 447 50 50 LYS C C 175.23 . . 448 50 50 LYS CA C 56.76 . . 449 50 50 LYS CB C 29.28 . . 450 50 50 LYS CD C 28.92 . . 451 50 50 LYS CE C 42.50 . . 452 50 50 LYS CG C 24.88 . . 453 50 50 LYS N N 117.83 . . 454 51 51 VAL H H 8.71 . . 455 51 51 VAL HA H 4.92 . . 456 51 51 VAL HB H 2.04 . . 457 51 51 VAL HG1 H 0.84 . . 458 51 51 VAL HG2 H 1.14 . . 459 51 51 VAL C C 175.93 . . 460 51 51 VAL CA C 61.22 . . 461 51 51 VAL CB C 35.09 . . 462 51 51 VAL CG1 C 24.31 . . 463 51 51 VAL CG2 C 24.44 . . 464 51 51 VAL N N 119.24 . . 465 52 52 ARG H H 9.10 . . 466 52 52 ARG HA H 5.02 . . 467 52 52 ARG HB2 H 1.58 . . 468 52 52 ARG HB3 H 1.66 . . 469 52 52 ARG HD2 H 3.07 . . 470 52 52 ARG HD3 H 3.07 . . 471 52 52 ARG HG2 H 1.34 . . 472 52 52 ARG HG3 H 1.61 . . 473 52 52 ARG C C 175.40 . . 474 52 52 ARG CA C 54.20 . . 475 52 52 ARG CB C 33.81 . . 476 52 52 ARG CD C 43.15 . . 477 52 52 ARG CG C 26.87 . . 478 52 52 ARG N N 125.37 . . 479 53 53 SER H H 9.80 . . 480 53 53 SER HA H 4.94 . . 481 53 53 SER HB2 H 3.63 . . 482 53 53 SER HB3 H 3.83 . . 483 53 53 SER C C 175.92 . . 484 53 53 SER CA C 56.10 . . 485 53 53 SER CB C 64.97 . . 486 53 53 SER N N 116.95 . . 487 54 54 PHE H H 9.40 . . 488 54 54 PHE HA H 4.37 . . 489 54 54 PHE HB2 H 3.37 . . 490 54 54 PHE HB3 H 2.51 . . 491 54 54 PHE HD1 H 7.11 . . 492 54 54 PHE HD2 H 7.11 . . 493 54 54 PHE HE1 H 7.21 . . 494 54 54 PHE HE2 H 7.21 . . 495 54 54 PHE C C 175.25 . . 496 54 54 PHE CA C 58.82 . . 497 54 54 PHE CB C 39.80 . . 498 54 54 PHE N N 124.94 . . 499 55 55 GLY H H 7.52 . . 500 55 55 GLY HA2 H 4.21 . . 501 55 55 GLY HA3 H 3.32 . . 502 55 55 GLY C C 173.96 . . 503 55 55 GLY CA C 45.58 . . 504 55 55 GLY N N 106.13 . . 505 56 56 THR H H 8.69 . . 506 56 56 THR HA H 4.82 . . 507 56 56 THR HB H 4.42 . . 508 56 56 THR HG2 H 1.21 . . 509 56 56 THR C C 174.12 . . 510 56 56 THR CA C 63.25 . . 511 56 56 THR CB C 69.27 . . 512 56 56 THR CG2 C 22.96 . . 513 56 56 THR N N 111.45 . . 514 57 57 GLU H H 9.09 . . 515 57 57 GLU HA H 3.75 . . 516 57 57 GLU HB2 H 2.06 . . 517 57 57 GLU HB3 H 2.19 . . 518 57 57 GLU HG2 H 2.17 . . 519 57 57 GLU HG3 H 2.28 . . 520 57 57 GLU C C 175.91 . . 521 57 57 GLU CA C 57.80 . . 522 57 57 GLU CB C 28.41 . . 523 57 57 GLU CG C 38.55 . . 524 57 57 GLU N N 118.22 . . 525 58 58 ASP H H 8.65 . . 526 58 58 ASP HA H 4.76 . . 527 58 58 ASP HB2 H 2.60 . . 528 58 58 ASP HB3 H 2.89 . . 529 58 58 ASP C C 176.88 . . 530 58 58 ASP CA C 53.09 . . 531 58 58 ASP CB C 39.94 . . 532 58 58 ASP N N 122.53 . . 533 59 59 ARG H H 8.44 . . 534 59 59 ARG HA H 4.32 . . 535 59 59 ARG HB2 H 1.66 . . 536 59 59 ARG HB3 H 2.33 . . 537 59 59 ARG HD2 H 3.43 . . 538 59 59 ARG HD3 H 3.64 . . 539 59 59 ARG HE H 7.72 . . 540 59 59 ARG HG2 H 1.57 . . 541 59 59 ARG HG3 H 1.78 . . 542 59 59 ARG CA C 55.85 . . 543 59 59 ARG CB C 29.23 . . 544 59 59 ARG CD C 41.48 . . 545 59 59 ARG CG C 28.49 . . 546 59 59 ARG N N 124.05 . . 547 60 60 PRO HA H 4.35 . . 548 60 60 PRO HB2 H 1.89 . . 549 60 60 PRO HB3 H 2.16 . . 550 60 60 PRO HD2 H 3.57 . . 551 60 60 PRO HD3 H 3.86 . . 552 60 60 PRO HG2 H 1.99 . . 553 60 60 PRO HG3 H 2.11 . . 554 60 60 PRO CA C 63.31 . . 555 60 60 PRO CB C 31.52 . . 556 60 60 PRO CD C 50.53 . . 557 60 60 PRO CG C 27.68 . . 558 61 61 THR H H 7.74 . . 559 61 61 THR HA H 4.52 . . 560 61 61 THR HB H 4.29 . . 561 61 61 THR HG2 H 0.99 . . 562 61 61 THR C C 172.18 . . 563 61 61 THR CA C 60.32 . . 564 61 61 THR CB C 68.15 . . 565 61 61 THR CG2 C 18.50 . . 566 61 61 THR N N 116.42 . . 567 62 62 ASP H H 8.48 . . 568 62 62 ASP HA H 4.59 . . 569 62 62 ASP HB2 H 2.71 . . 570 62 62 ASP HB3 H 2.71 . . 571 62 62 ASP C C 176.32 . . 572 62 62 ASP CA C 55.23 . . 573 62 62 ASP CB C 40.71 . . 574 62 62 ASP N N 124.59 . . 575 63 63 ARG H H 8.31 . . 576 63 63 ARG HA H 4.77 . . 577 63 63 ARG HB2 H 1.58 . . 578 63 63 ARG HB3 H 1.76 . . 579 63 63 ARG CA C 53.39 . . 580 63 63 ARG CB C 31.58 . . 581 63 63 ARG N N 121.35 . . 582 64 64 PRO HA H 4.36 . . 583 64 64 PRO HB2 H 1.77 . . 584 64 64 PRO HB3 H 2.13 . . 585 64 64 PRO HD2 H 3.59 . . 586 64 64 PRO HD3 H 3.79 . . 587 64 64 PRO HG2 H 1.95 . . 588 64 64 PRO HG3 H 1.95 . . 589 64 64 PRO CA C 63.03 . . 590 64 64 PRO CB C 31.96 . . 591 64 64 PRO CD C 50.19 . . 592 64 64 PRO CG C 27.47 . . 593 65 65 ILE H H 8.46 . . 594 65 65 ILE HA H 4.39 . . 595 65 65 ILE HB H 1.71 . . 596 65 65 ILE HD1 H 0.79 . . 597 65 65 ILE HG12 H 1.49 . . 598 65 65 ILE HG13 H 1.49 . . 599 65 65 ILE HG2 H 1.04 . . 600 65 65 ILE C C 175.78 . . 601 65 65 ILE CA C 59.25 . . 602 65 65 ILE CB C 41.01 . . 603 65 65 ILE CD1 C 11.37 . . 604 65 65 ILE CG1 C 26.19 . . 605 65 65 ILE CG2 C 17.02 . . 606 65 65 ILE N N 123.07 . . 607 66 66 ALA H H 8.63 . . 608 66 66 ALA HA H 4.68 . . 609 66 66 ALA HB H 1.44 . . 610 66 66 ALA CA C 51.52 . . 611 66 66 ALA CB C 18.22 . . 612 66 66 ALA N N 132.18 . . 613 67 67 PRO HA H 4.02 . . 614 67 67 PRO HB2 H 1.93 . . 615 67 67 PRO HB3 H 2.27 . . 616 67 67 PRO HD2 H 3.86 . . 617 67 67 PRO HD3 H 3.65 . . 618 67 67 PRO HG2 H 2.11 . . 619 67 67 PRO HG3 H 2.11 . . 620 67 67 PRO CA C 62.98 . . 621 67 67 PRO CB C 32.46 . . 622 67 67 PRO CD C 50.50 . . 623 67 67 PRO CG C 27.25 . . 624 68 68 ARG H H 7.55 . . 625 68 68 ARG HA H 3.85 . . 626 68 68 ARG HB2 H 1.50 . . 627 68 68 ARG HD2 H 2.96 . . 628 68 68 ARG C C 176.01 . . 629 68 68 ARG CA C 54.75 . . 630 68 68 ARG CB C 31.19 . . 631 68 68 ARG N N 119.11 . . 632 69 69 ASP H H 8.14 . . 633 69 69 ASP HA H 4.50 . . 634 69 69 ASP HB2 H 2.49 . . 635 69 69 ASP HB3 H 2.66 . . 636 69 69 ASP C C 176.03 . . 637 69 69 ASP CA C 55.28 . . 638 69 69 ASP CB C 40.86 . . 639 69 69 ASP N N 120.04 . . 640 70 70 GLU H H 8.07 . . 641 70 70 GLU HA H 4.13 . . 642 70 70 GLU HB2 H 1.55 . . 643 70 70 GLU HB3 H 1.64 . . 644 70 70 GLU HG2 H 1.89 . . 645 70 70 GLU HG3 H 1.89 . . 646 70 70 GLU C C 175.16 . . 647 70 70 GLU CA C 56.98 . . 648 70 70 GLU CB C 30.73 . . 649 70 70 GLU CG C 35.82 . . 650 70 70 GLU N N 120.01 . . 651 71 71 THR H H 8.22 . . 652 71 71 THR HA H 4.60 . . 653 71 71 THR HB H 3.84 . . 654 71 71 THR HG2 H 0.94 . . 655 71 71 THR CA C 61.63 . . 656 71 71 THR CB C 70.13 . . 657 71 71 THR CG2 C 21.37 . . 658 71 71 THR N N 117.53 . . 659 72 72 PHE H H 9.49 . . 660 72 72 PHE HA H 4.64 . . 661 72 72 PHE HB2 H 2.98 . . 662 72 72 PHE HB3 H 2.67 . . 663 72 72 PHE HD1 H 7.25 . . 664 72 72 PHE HD2 H 7.25 . . 665 72 72 PHE HE1 H 6.74 . . 666 72 72 PHE HE2 H 6.74 . . 667 72 72 PHE C C 176.52 . . 668 72 72 PHE CA C 56.73 . . 669 72 72 PHE CB C 40.26 . . 670 72 72 PHE N N 126.03 . . 671 73 73 GLU H H 9.14 . . 672 73 73 GLU HA H 3.81 . . 673 73 73 GLU HB2 H 1.99 . . 674 73 73 GLU HB3 H 1.99 . . 675 73 73 GLU HG2 H 2.24 . . 676 73 73 GLU HG3 H 2.30 . . 677 73 73 GLU C C 177.95 . . 678 73 73 GLU CA C 60.76 . . 679 73 73 GLU CB C 29.53 . . 680 73 73 GLU CG C 36.17 . . 681 73 73 GLU N N 125.25 . . 682 74 74 TYR H H 7.55 . . 683 74 74 TYR HA H 5.51 . . 684 74 74 TYR HB2 H 2.68 . . 685 74 74 TYR HB3 H 2.78 . . 686 74 74 TYR C C 174.97 . . 687 74 74 TYR CA C 57.64 . . 688 74 74 TYR CB C 42.82 . . 689 74 74 TYR N N 113.35 . . 690 75 75 ILE H H 8.66 . . 691 75 75 ILE HA H 3.92 . . 692 75 75 ILE HB H 1.15 . . 693 75 75 ILE HD1 H 0.25 . . 694 75 75 ILE HG12 H 1.11 . . 695 75 75 ILE HG13 H 0.65 . . 696 75 75 ILE HG2 H -0.18 . . 697 75 75 ILE C C 172.98 . . 698 75 75 ILE CA C 62.03 . . 699 75 75 ILE CB C 42.18 . . 700 75 75 ILE CD1 C 13.21 . . 701 75 75 ILE CG1 C 27.26 . . 702 75 75 ILE CG2 C 17.04 . . 703 75 75 ILE N N 121.90 . . 704 76 76 ILE H H 8.02 . . 705 76 76 ILE HA H 4.53 . . 706 76 76 ILE HB H 1.56 . . 707 76 76 ILE HD1 H 0.77 . . 708 76 76 ILE HG12 H 1.40 . . 709 76 76 ILE HG13 H 0.96 . . 710 76 76 ILE HG2 H 0.75 . . 711 76 76 ILE C C 174.91 . . 712 76 76 ILE CA C 60.39 . . 713 76 76 ILE CB C 39.05 . . 714 76 76 ILE CD1 C 13.24 . . 715 76 76 ILE CG1 C 28.26 . . 716 76 76 ILE CG2 C 17.35 . . 717 76 76 ILE N N 125.63 . . 718 77 77 PHE H H 9.32 . . 719 77 77 PHE HA H 4.61 . . 720 77 77 PHE HB2 H 2.70 . . 721 77 77 PHE HB3 H 2.70 . . 722 77 77 PHE HD1 H 6.94 . . 723 77 77 PHE HD2 H 6.94 . . 724 77 77 PHE C C 175.73 . . 725 77 77 PHE CA C 56.98 . . 726 77 77 PHE CB C 41.71 . . 727 77 77 PHE N N 126.24 . . 728 78 78 ARG H H 9.04 . . 729 78 78 ARG HA H 4.64 . . 730 78 78 ARG HB2 H 1.74 . . 731 78 78 ARG HB3 H 1.98 . . 732 78 78 ARG HD2 H 3.17 . . 733 78 78 ARG HD3 H 3.17 . . 734 78 78 ARG HG2 H 1.67 . . 735 78 78 ARG HG3 H 1.78 . . 736 78 78 ARG C C 178.87 . . 737 78 78 ARG CA C 55.83 . . 738 78 78 ARG CB C 30.80 . . 739 78 78 ARG CD C 43.28 . . 740 78 78 ARG CG C 27.42 . . 741 78 78 ARG N N 121.78 . . 742 79 79 GLY H H 8.87 . . 743 79 79 GLY HA2 H 3.97 . . 744 79 79 GLY HA3 H 3.61 . . 745 79 79 GLY C C 176.54 . . 746 79 79 GLY CA C 48.22 . . 747 79 79 GLY N N 112.04 . . 748 80 80 SER H H 8.29 . . 749 80 80 SER HA H 4.23 . . 750 80 80 SER HB2 H 3.83 . . 751 80 80 SER HB3 H 4.04 . . 752 80 80 SER C C 174.79 . . 753 80 80 SER CA C 59.99 . . 754 80 80 SER CB C 62.92 . . 755 80 80 SER N N 113.13 . . 756 81 81 ASP H H 8.03 . . 757 81 81 ASP HA H 4.94 . . 758 81 81 ASP HB2 H 2.94 . . 759 81 81 ASP HB3 H 3.20 . . 760 81 81 ASP C C 175.64 . . 761 81 81 ASP CA C 55.03 . . 762 81 81 ASP CB C 42.92 . . 763 81 81 ASP N N 120.25 . . 764 82 82 ILE H H 7.40 . . 765 82 82 ILE HA H 3.77 . . 766 82 82 ILE HB H 1.88 . . 767 82 82 ILE HD1 H 0.63 . . 768 82 82 ILE HG12 H 0.47 . . 769 82 82 ILE HG13 H 1.87 . . 770 82 82 ILE HG2 H 0.58 . . 771 82 82 ILE C C 174.77 . . 772 82 82 ILE CA C 62.98 . . 773 82 82 ILE CB C 39.69 . . 774 82 82 ILE CD1 C 13.80 . . 775 82 82 ILE CG1 C 26.66 . . 776 82 82 ILE CG2 C 17.55 . . 777 82 82 ILE N N 119.88 . . 778 83 83 LYS H H 9.16 . . 779 83 83 LYS HA H 4.32 . . 780 83 83 LYS HB2 H 1.52 . . 781 83 83 LYS HB3 H 1.31 . . 782 83 83 LYS HD2 H 1.53 . . 783 83 83 LYS HD3 H 1.64 . . 784 83 83 LYS HE2 H 2.90 . . 785 83 83 LYS HE3 H 2.90 . . 786 83 83 LYS HG2 H 1.19 . . 787 83 83 LYS HG3 H 1.29 . . 788 83 83 LYS C C 175.62 . . 789 83 83 LYS CA C 57.64 . . 790 83 83 LYS CB C 34.74 . . 791 83 83 LYS CD C 29.75 . . 792 83 83 LYS CE C 41.48 . . 793 83 83 LYS CG C 25.24 . . 794 83 83 LYS N N 128.50 . . 795 84 84 ASP H H 7.92 . . 796 84 84 ASP HA H 4.76 . . 797 84 84 ASP HB2 H 2.45 . . 798 84 84 ASP HB3 H 2.49 . . 799 84 84 ASP C C 173.32 . . 800 84 84 ASP CA C 54.28 . . 801 84 84 ASP CB C 45.55 . . 802 84 84 ASP N N 116.95 . . 803 85 85 LEU H H 8.38 . . 804 85 85 LEU HA H 4.92 . . 805 85 85 LEU HB2 H 1.59 . . 806 85 85 LEU HB3 H 1.40 . . 807 85 85 LEU HD1 H 0.70 . . 808 85 85 LEU HD2 H 0.73 . . 809 85 85 LEU HG H 1.44 . . 810 85 85 LEU C C 174.82 . . 811 85 85 LEU CA C 55.89 . . 812 85 85 LEU CB C 45.17 . . 813 85 85 LEU CD1 C 24.96 . . 814 85 85 LEU CD2 C 26.45 . . 815 85 85 LEU CG C 27.67 . . 816 85 85 LEU N N 125.70 . . 817 86 86 THR H H 9.10 . . 818 86 86 THR HA H 4.67 . . 819 86 86 THR HB H 3.93 . . 820 86 86 THR HG2 H 1.02 . . 821 86 86 THR C C 172.81 . . 822 86 86 THR CA C 61.28 . . 823 86 86 THR CB C 71.97 . . 824 86 86 THR CG2 C 21.51 . . 825 86 86 THR N N 120.48 . . 826 87 87 VAL H H 8.73 . . 827 87 87 VAL HA H 4.18 . . 828 87 87 VAL HB H 1.85 . . 829 87 87 VAL HG1 H 0.84 . . 830 87 87 VAL HG2 H 0.60 . . 831 87 87 VAL C C 176.08 . . 832 87 87 VAL CA C 62.69 . . 833 87 87 VAL CB C 32.25 . . 834 87 87 VAL CG1 C 20.79 . . 835 87 87 VAL CG2 C 21.14 . . 836 87 87 VAL N N 125.41 . . 837 88 88 CYS H H 8.75 . . 838 88 88 CYS HA H 4.41 . . 839 88 88 CYS HB2 H 2.92 . . 840 88 88 CYS HB3 H 2.55 . . 841 88 88 CYS C C 174.43 . . 842 88 88 CYS CA C 59.64 . . 843 88 88 CYS CB C 28.36 . . 844 88 88 CYS N N 126.29 . . 845 89 89 GLU H H 8.11 . . 846 89 89 GLU CA C 54.55 . . 847 89 89 GLU CB C 31.62 . . 848 89 89 GLU N N 121.41 . . 849 91 91 PRO HA H 4.35 . . 850 91 91 PRO HB2 H 1.90 . . 851 91 91 PRO HB3 H 2.24 . . 852 91 91 PRO HD2 H 3.60 . . 853 91 91 PRO HD3 H 3.76 . . 854 91 91 PRO CA C 62.84 . . 855 91 91 PRO CB C 32.02 . . 856 91 91 PRO CD C 50.22 . . 857 91 91 PRO CG C 27.54 . . 858 92 92 LYS H H 8.29 . . 859 92 92 LYS HA H 4.59 . . 860 92 92 LYS HB2 H 1.70 . . 861 92 92 LYS HB3 H 1.81 . . 862 92 92 LYS HD2 H 1.71 . . 863 92 92 LYS HD3 H 1.71 . . 864 92 92 LYS HE2 H 3.02 . . 865 92 92 LYS HE3 H 3.02 . . 866 92 92 LYS HG2 H 1.51 . . 867 92 92 LYS HG3 H 1.51 . . 868 92 92 LYS CA C 54.45 . . 869 92 92 LYS CB C 32.81 . . 870 92 92 LYS CD C 29.24 . . 871 92 92 LYS CE C 42.29 . . 872 92 92 LYS CG C 24.73 . . 873 92 92 LYS N N 122.89 . . 874 93 93 PRO HA H 4.42 . . 875 93 93 PRO HB2 H 1.85 . . 876 93 93 PRO HB3 H 2.28 . . 877 93 93 PRO HD2 H 3.62 . . 878 93 93 PRO HD3 H 3.81 . . 879 93 93 PRO HG2 H 1.97 . . 880 93 93 PRO CA C 63.03 . . 881 93 93 PRO CB C 32.17 . . 882 93 93 PRO CD C 50.54 . . 883 93 93 PRO CG C 27.42 . . 884 94 94 ILE H H 8.23 . . 885 94 94 ILE HA H 4.11 . . 886 94 94 ILE HB H 1.85 . . 887 94 94 ILE HD1 H 0.87 . . 888 94 94 ILE HG12 H 1.20 . . 889 94 94 ILE HG13 H 1.52 . . 890 94 94 ILE HG2 H 0.93 . . 891 94 94 ILE C C 175.48 . . 892 94 94 ILE CA C 61.73 . . 893 94 94 ILE CB C 38.84 . . 894 94 94 ILE CD1 C 12.94 . . 895 94 94 ILE CG1 C 27.30 . . 896 94 94 ILE CG2 C 17.44 . . 897 94 94 ILE N N 121.39 . . 898 95 95 MET H H 7.90 . . 899 95 95 MET HA H 4.28 . . 900 95 95 MET HB2 H 1.93 . . 901 95 95 MET HB3 H 2.06 . . 902 95 95 MET HG2 H 2.47 . . 903 95 95 MET HG3 H 2.47 . . 904 95 95 MET CA C 57.26 . . 905 95 95 MET CB C 34.46 . . 906 95 95 MET CG C 32.20 . . 907 95 95 MET N N 129.23 . . stop_ save_