data_18621 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Chemical Shift Assignments of N terminal La motif domain of La protein ; _BMRB_accession_number 18621 _BMRB_flat_file_name bmr18621.str _Entry_type original _Submission_date 2012-07-27 _Accession_date 2012-07-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'La motif domain recombinant polypeptide expressed in E.coli studied through NMR spectroscopy' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouras Georgios . . 2 Argyriou Aikaterini I. . 3 Apostolidi Maria . . 4 Chasapis Christos T. . 5 Stathopoulos Constantinos . . 6 Bentrop Detlef . . 7 Spyroulias Georgios A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 426 "13C chemical shifts" 383 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-17 update author 'update chemical shifts' 2014-05-13 update BMRB 'update entry citation' 2013-07-26 update BMRB 'correct the shift 16 TYR CG from 36.514 to 136.514' 2013-02-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18620 'RRM domain' stop_ _Original_release_date 2012-07-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; H, 15N, 13C assignment and secondary structure determination of two domains of La protein from D. discoideum. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23239108 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Apostolidi Maria . . 2 Vourtsis Dionysios J. . 3 Chasapis Christos T. . 4 Stathopoulos Constantinos . . 5 Bentrop Detlef . . 6 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 47 _Page_last 51 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'La-type RNA-binding domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'La-type RNA-binding domain' $La_motif stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function ; Binds to the 3' poly(U) terminii of nascent RNA polymerase III transcripts, protecting them from exonuclease digestion and facilitating their folding and maturation. ; 'Histone mRNA metabolic process' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_La_motif _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common La_motif _Molecular_mass 10534.9 _Mol_thiol_state 'all free' loop_ _Biological_function 'Histone mRNA metabolic process' 'RNA- binding' 'tRNA modification' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 91 _Mol_residue_sequence ; MSEETSTQILKQVEYYFSDS NFPRDKFLRSEAAKNVDNYI SIDVIASFNRMKTISTDLQL ITEALKKSTRLQVSEDGKMV RRLDPLPENID ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 GLU 5 THR 6 SER 7 THR 8 GLN 9 ILE 10 LEU 11 LYS 12 GLN 13 VAL 14 GLU 15 TYR 16 TYR 17 PHE 18 SER 19 ASP 20 SER 21 ASN 22 PHE 23 PRO 24 ARG 25 ASP 26 LYS 27 PHE 28 LEU 29 ARG 30 SER 31 GLU 32 ALA 33 ALA 34 LYS 35 ASN 36 VAL 37 ASP 38 ASN 39 TYR 40 ILE 41 SER 42 ILE 43 ASP 44 VAL 45 ILE 46 ALA 47 SER 48 PHE 49 ASN 50 ARG 51 MET 52 LYS 53 THR 54 ILE 55 SER 56 THR 57 ASP 58 LEU 59 GLN 60 LEU 61 ILE 62 THR 63 GLU 64 ALA 65 LEU 66 LYS 67 LYS 68 SER 69 THR 70 ARG 71 LEU 72 GLN 73 VAL 74 SER 75 GLU 76 ASP 77 GLY 78 LYS 79 MET 80 VAL 81 ARG 82 ARG 83 LEU 84 ASP 85 PRO 86 LEU 87 PRO 88 GLU 89 ASN 90 ILE 91 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 EMBL Q54TG6 'Lupus La protein' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $La_motif 'Dictyostelium discoideum' 44689 Eukaryota . Dictyostelium discoideum 'DDB_0204655, DDB_G0281763' 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 $La_motif 'recombinant technology' . Escherichia coli BL21(DE3) pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $La_motif 0.37 mM '[U-98% 15N]' 'buffer salts' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $La_motif 0.37 mM '[U-98% 13C; U-98% 15N]' 'buffer salts' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH temperature 298 . 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 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'La-type RNA-binding domain' _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 3 3 GLU HA H 4.34 0.02 1 2 3 3 GLU C C 177.3 0.3 1 3 3 3 GLU CA C 58.5 0.3 1 4 3 3 GLU CB C 31.3 0.3 1 5 3 3 GLU CG C 37.3 0.3 1 6 4 4 GLU H H 8.78 0.02 1 7 4 4 GLU HA H 4.26 0.02 1 8 4 4 GLU HB2 H 2.10 0.02 2 9 4 4 GLU HB3 H 2.04 0.02 2 10 4 4 GLU C C 178.2 0.3 1 11 4 4 GLU CA C 59.2 0.3 1 12 4 4 GLU CB C 30.8 0.3 1 13 4 4 GLU CG C 37.4 0.3 1 14 4 4 GLU N N 121.8 0.3 1 15 5 5 THR H H 8.33 0.02 1 16 5 5 THR HA H 3.91 0.02 1 17 5 5 THR HB H 4.11 0.02 1 18 5 5 THR HG2 H 1.27 0.02 1 19 5 5 THR CA C 67.9 0.3 1 20 5 5 THR CB C 69.4 0.3 1 21 5 5 THR CG2 C 23.6 0.3 1 22 5 5 THR N N 118.7 0.3 1 23 6 6 SER H H 8.59 0.02 1 24 6 6 SER HA H 3.92 0.02 1 25 6 6 SER CA C 63.8 0.3 1 26 6 6 SER CB C 64.5 0.3 1 27 6 6 SER N N 116.1 0.3 1 28 7 7 THR H H 7.77 0.02 1 29 7 7 THR HA H 3.94 0.02 1 30 7 7 THR HB H 4.32 0.02 1 31 7 7 THR HG2 H 1.26 0.02 1 32 7 7 THR CA C 67.4 0.3 1 33 7 7 THR CB C 69.3 0.3 1 34 7 7 THR CG2 C 23.1 0.3 1 35 7 7 THR N N 118.0 0.3 1 36 8 8 GLN H H 7.98 0.02 1 37 8 8 GLN HA H 3.99 0.02 1 38 8 8 GLN HB2 H 2.10 0.02 2 39 8 8 GLN HB3 H 2.29 0.02 2 40 8 8 GLN HG2 H 2.51 0.02 2 41 8 8 GLN HG3 H 2.36 0.02 2 42 8 8 GLN HE21 H 7.39 0.02 1 43 8 8 GLN HE22 H 6.86 0.02 1 44 8 8 GLN C C 179.6 0.3 1 45 8 8 GLN CA C 60.3 0.3 1 46 8 8 GLN CB C 30.0 0.3 1 47 8 8 GLN CG C 35.2 0.3 1 48 8 8 GLN N N 121.2 0.3 1 49 8 8 GLN NE2 N 111.4 0.3 1 50 9 9 ILE H H 8.40 0.02 1 51 9 9 ILE HA H 3.52 0.02 1 52 9 9 ILE HB H 2.00 0.02 1 53 9 9 ILE HG12 H 1.78 0.02 2 54 9 9 ILE HG13 H 1.03 0.02 2 55 9 9 ILE HG2 H 0.91 0.02 1 56 9 9 ILE HD1 H 0.75 0.02 1 57 9 9 ILE C C 176.8 0.3 1 58 9 9 ILE CA C 65.8 0.3 1 59 9 9 ILE CB C 38.8 0.3 1 60 9 9 ILE CG1 C 29.6 0.3 1 61 9 9 ILE CG2 C 19.9 0.3 1 62 9 9 ILE CD1 C 15.0 0.3 1 63 9 9 ILE N N 119.9 0.3 1 64 10 10 LEU H H 7.99 0.02 1 65 10 10 LEU HA H 3.81 0.02 1 66 10 10 LEU HB2 H 1.82 0.02 2 67 10 10 LEU HB3 H 1.62 0.02 2 68 10 10 LEU HG H 1.49 0.02 1 69 10 10 LEU HD1 H 0.92 0.02 1 70 10 10 LEU HD2 H 0.89 0.02 1 71 10 10 LEU C C 178.3 0.3 1 72 10 10 LEU CA C 59.8 0.3 1 73 10 10 LEU CB C 43.1 0.3 1 74 10 10 LEU CG C 28.4 0.3 1 75 10 10 LEU CD1 C 26.2 0.3 1 76 10 10 LEU CD2 C 25.8 0.3 1 77 10 10 LEU N N 119.5 0.3 1 78 11 11 LYS H H 8.35 0.02 1 79 11 11 LYS HA H 3.99 0.02 1 80 11 11 LYS HG2 H 1.42 0.02 2 81 11 11 LYS HG3 H 1.58 0.02 2 82 11 11 LYS C C 179.9 0.3 1 83 11 11 LYS CA C 60.3 0.3 1 84 11 11 LYS CB C 33.4 0.3 1 85 11 11 LYS CG C 26.2 0.3 1 86 11 11 LYS CD C 30.1 0.3 1 87 11 11 LYS CE C 43.0 0.3 1 88 11 11 LYS N N 116.4 0.3 1 89 12 12 GLN H H 7.90 0.02 1 90 12 12 GLN HA H 3.91 0.02 1 91 12 12 GLN HB2 H 2.09 0.02 2 92 12 12 GLN HB3 H 1.92 0.02 2 93 12 12 GLN HG2 H 2.06 0.02 2 94 12 12 GLN HG3 H 1.94 0.02 2 95 12 12 GLN HE21 H 6.95 0.02 1 96 12 12 GLN HE22 H 5.68 0.02 1 97 12 12 GLN C C 177.4 0.3 1 98 12 12 GLN CA C 58.9 0.3 1 99 12 12 GLN CB C 29.4 0.3 1 100 12 12 GLN CG C 35.2 0.3 1 101 12 12 GLN N N 119.5 0.3 1 102 12 12 GLN NE2 N 113.0 0.3 1 103 13 13 VAL H H 8.59 0.02 1 104 13 13 VAL HA H 4.11 0.02 1 105 13 13 VAL HB H 2.06 0.02 1 106 13 13 VAL HG1 H 1.28 0.02 1 107 13 13 VAL HG2 H 1.28 0.02 1 108 13 13 VAL C C 178.9 0.3 1 109 13 13 VAL CA C 68.1 0.3 1 110 13 13 VAL CB C 32.0 0.3 1 111 13 13 VAL CG1 C 24.2 0.3 1 112 13 13 VAL CG2 C 25.6 0.3 1 113 13 13 VAL N N 118.5 0.3 1 114 14 14 GLU H H 9.02 0.02 1 115 14 14 GLU HA H 3.93 0.02 1 116 14 14 GLU HB2 H 2.18 0.02 2 117 14 14 GLU HB3 H 1.91 0.02 2 118 14 14 GLU HG2 H 2.79 0.02 2 119 14 14 GLU HG3 H 1.89 0.02 2 120 14 14 GLU C C 180.0 0.3 1 121 14 14 GLU CA C 62.2 0.3 1 122 14 14 GLU CB C 29.3 0.3 1 123 14 14 GLU CG C 39.5 0.3 1 124 14 14 GLU N N 118.3 0.3 1 125 15 15 TYR H H 7.84 0.02 1 126 15 15 TYR HA H 4.26 0.02 1 127 15 15 TYR CA C 63.2 0.3 1 128 15 15 TYR CB C 37.6 0.3 1 129 15 15 TYR CD1 C 133.0 0.3 1 130 15 15 TYR CE1 C 129.2 0.3 1 131 15 15 TYR N N 119.1 0.3 1 132 16 16 TYR H H 8.02 0.02 1 133 16 16 TYR HA H 4.31 0.02 1 134 16 16 TYR HB2 H 3.24 0.02 2 135 16 16 TYR HB3 H 2.89 0.02 2 136 16 16 TYR C C 178.0 0.3 1 137 16 16 TYR CA C 60.4 0.3 1 138 16 16 TYR CB C 37.9 0.3 1 139 16 16 TYR CD1 C 127.6 0.3 1 140 16 16 TYR CE1 C 130.1 0.3 1 141 16 16 TYR N N 120.6 0.3 1 142 17 17 PHE H H 7.55 0.02 1 143 17 17 PHE HA H 4.35 0.02 1 144 17 17 PHE HB2 H 3.19 0.02 2 145 17 17 PHE HB3 H 2.62 0.02 2 146 17 17 PHE C C 174.6 0.3 1 147 17 17 PHE CA C 61.0 0.3 1 148 17 17 PHE CB C 41.6 0.3 1 149 17 17 PHE CD1 C 131.7 0.3 1 150 17 17 PHE CE1 C 129.6 0.3 1 151 17 17 PHE N N 112.1 0.3 1 152 18 18 SER H H 7.90 0.02 1 153 18 18 SER HA H 4.41 0.02 1 154 18 18 SER HB2 H 4.51 0.02 2 155 18 18 SER HB3 H 4.30 0.02 2 156 18 18 SER C C 175.3 0.3 1 157 18 18 SER CA C 60.0 0.3 1 158 18 18 SER CB C 66.4 0.3 1 159 18 18 SER N N 118.8 0.3 1 160 19 19 ASP HA H 4.32 0.02 1 161 19 19 ASP C C 176.6 0.3 1 162 19 19 ASP CA C 58.2 0.3 1 163 19 19 ASP CB C 40.7 0.3 1 164 20 20 SER H H 7.67 0.02 1 165 20 20 SER HA H 4.35 0.02 1 166 20 20 SER HB2 H 3.95 0.02 2 167 20 20 SER HB3 H 3.73 0.02 2 168 20 20 SER C C 173.8 0.3 1 169 20 20 SER CA C 61.1 0.3 1 170 20 20 SER CB C 64.3 0.3 1 171 20 20 SER N N 111.4 0.3 1 172 21 21 ASN H H 7.43 0.02 1 173 21 21 ASN HA H 4.80 0.02 1 174 21 21 ASN HB2 H 2.65 0.02 2 175 21 21 ASN HB3 H 1.89 0.02 2 176 21 21 ASN C C 174.3 0.3 1 177 21 21 ASN CA C 57.0 0.3 1 178 21 21 ASN CB C 44.1 0.3 1 179 21 21 ASN N N 116.5 0.3 1 180 22 22 PHE H H 8.59 0.02 1 181 22 22 PHE HA H 4.23 0.02 1 182 22 22 PHE HB2 H 3.59 0.02 2 183 22 22 PHE HB3 H 2.90 0.02 2 184 22 22 PHE C C 173.1 0.3 1 185 22 22 PHE CA C 64.6 0.3 1 186 22 22 PHE CB C 38.5 0.3 1 187 22 22 PHE CD1 C 131.5 0.3 1 188 22 22 PHE CE1 C 120.0 0.3 1 189 22 22 PHE N N 121.0 0.3 1 190 23 23 PRO HA H 4.10 0.02 1 191 23 23 PRO HB2 H 2.37 0.02 2 192 23 23 PRO HB3 H 1.75 0.02 2 193 23 23 PRO HG2 H 2.27 0.02 2 194 23 23 PRO HG3 H 1.90 0.02 2 195 23 23 PRO HD2 H 4.03 0.02 2 196 23 23 PRO HD3 H 3.43 0.02 2 197 23 23 PRO C C 177.1 0.3 1 198 23 23 PRO CA C 67.0 0.3 1 199 23 23 PRO CB C 32.4 0.3 1 200 23 23 PRO CG C 29.6 0.3 1 201 23 23 PRO CD C 51.7 0.3 1 202 24 24 ARG H H 7.04 0.02 1 203 24 24 ARG HA H 4.40 0.02 1 204 24 24 ARG HB2 H 1.96 0.02 2 205 24 24 ARG HB3 H 1.74 0.02 2 206 24 24 ARG C C 174.6 0.3 1 207 24 24 ARG CA C 55.6 0.3 1 208 24 24 ARG CB C 31.7 0.3 1 209 24 24 ARG CG C 28.1 0.3 1 210 24 24 ARG CD C 44.3 0.3 1 211 24 24 ARG N N 111.1 0.3 1 212 25 25 ASP H H 7.47 0.02 1 213 25 25 ASP HA H 4.56 0.02 1 214 25 25 ASP HB2 H 2.95 0.02 2 215 25 25 ASP HB3 H 2.39 0.02 2 216 25 25 ASP CA C 54.2 0.3 1 217 25 25 ASP CB C 42.1 0.3 1 218 25 25 ASP N N 123.2 0.3 1 219 26 26 LYS H H 8.31 0.02 1 220 26 26 LYS HA H 3.73 0.02 1 221 26 26 LYS HB2 H 1.82 0.02 1 222 26 26 LYS HG2 H 1.52 0.02 2 223 26 26 LYS HG3 H 1.40 0.02 2 224 26 26 LYS C C 179.0 0.3 1 225 26 26 LYS CA C 60.8 0.3 1 226 26 26 LYS CB C 33.4 0.3 1 227 26 26 LYS CG C 26.2 0.3 1 228 26 26 LYS CD C 30.1 0.3 1 229 26 26 LYS CE C 43.0 0.3 1 230 26 26 LYS N N 125.2 0.3 1 231 27 27 PHE H H 8.33 0.02 1 232 27 27 PHE HA H 4.32 0.02 1 233 27 27 PHE HB2 H 3.24 0.02 2 234 27 27 PHE HB3 H 3.08 0.02 2 235 27 27 PHE C C 177.7 0.3 1 236 27 27 PHE CA C 62.1 0.3 1 237 27 27 PHE CB C 39.8 0.3 1 238 27 27 PHE CD1 C 131.2 0.3 1 239 27 27 PHE CE1 C 118.9 0.3 1 240 27 27 PHE N N 119.8 0.3 1 241 28 28 LEU H H 8.37 0.02 1 242 28 28 LEU HA H 3.68 0.02 1 243 28 28 LEU HB2 H 1.47 0.02 2 244 28 28 LEU HB3 H 1.22 0.02 2 245 28 28 LEU HG H 0.57 0.02 1 246 28 28 LEU C C 179.3 0.3 1 247 28 28 LEU CA C 58.7 0.3 1 248 28 28 LEU CB C 42.4 0.3 1 249 28 28 LEU CG C 27.6 0.3 1 250 28 28 LEU CD1 C 24.0 0.3 1 251 28 28 LEU CD2 C 23.7 0.3 1 252 28 28 LEU N N 120.3 0.3 1 253 29 29 ARG H H 8.44 0.02 1 254 29 29 ARG HA H 3.71 0.02 1 255 29 29 ARG HB2 H 1.66 0.02 2 256 29 29 ARG HB3 H 1.57 0.02 2 257 29 29 ARG HG2 H 1.46 0.02 2 258 29 29 ARG HG3 H 1.15 0.02 2 259 29 29 ARG HD2 H 3.02 0.02 2 260 29 29 ARG HD3 H 2.85 0.02 2 261 29 29 ARG C C 179.9 0.3 1 262 29 29 ARG CA C 60.3 0.3 1 263 29 29 ARG CB C 30.3 0.3 1 264 29 29 ARG CG C 28.0 0.3 1 265 29 29 ARG CD C 43.9 0.3 1 266 29 29 ARG N N 116.8 0.3 1 267 30 30 SER H H 7.83 0.02 1 268 30 30 SER HA H 4.18 0.02 1 269 30 30 SER CA C 62.3 0.3 1 270 30 30 SER CB C 63.2 0.3 1 271 30 30 SER N N 115.8 0.3 1 272 31 31 GLU H H 7.94 0.02 1 273 31 31 GLU HA H 3.89 0.02 1 274 31 31 GLU HB2 H 2.04 0.02 2 275 31 31 GLU HB3 H 1.85 0.02 2 276 31 31 GLU HG2 H 1.74 0.02 2 277 31 31 GLU HG3 H 1.68 0.02 2 278 31 31 GLU C C 180.0 0.3 1 279 31 31 GLU CA C 59.7 0.3 1 280 31 31 GLU CB C 31.0 0.3 1 281 31 31 GLU CG C 37.5 0.3 1 282 31 31 GLU N N 122.2 0.3 1 283 32 32 ALA H H 8.54 0.02 1 284 32 32 ALA HA H 3.92 0.02 1 285 32 32 ALA HB H 1.63 0.02 1 286 32 32 ALA C C 178.3 0.3 1 287 32 32 ALA CA C 56.0 0.3 1 288 32 32 ALA CB C 19.1 0.3 1 289 32 32 ALA N N 123.9 0.3 1 290 33 33 ALA H H 7.31 0.02 1 291 33 33 ALA HA H 4.28 0.02 1 292 33 33 ALA HB H 1.47 0.02 1 293 33 33 ALA C C 178.7 0.3 1 294 33 33 ALA CA C 54.1 0.3 1 295 33 33 ALA CB C 19.5 0.3 1 296 33 33 ALA N N 114.8 0.3 1 297 34 34 LYS H H 7.34 0.02 1 298 34 34 LYS HA H 4.12 0.02 1 299 34 34 LYS HB2 H 2.01 0.02 2 300 34 34 LYS HB3 H 1.85 0.02 2 301 34 34 LYS HG2 H 1.76 0.02 2 302 34 34 LYS HG3 H 1.37 0.02 2 303 34 34 LYS HD2 H 1.70 0.02 2 304 34 34 LYS HD3 H 1.60 0.02 2 305 34 34 LYS C C 175.6 0.3 1 306 34 34 LYS CA C 58.8 0.3 1 307 34 34 LYS CB C 34.4 0.3 1 308 34 34 LYS CG C 26.5 0.3 1 309 34 34 LYS CD C 30.9 0.3 1 310 34 34 LYS CE C 43.2 0.3 1 311 34 34 LYS N N 115.8 0.3 1 312 35 35 ASN H H 7.78 0.02 1 313 35 35 ASN HA H 5.13 0.02 1 314 35 35 ASN HB2 H 2.97 0.02 2 315 35 35 ASN HB3 H 2.82 0.02 2 316 35 35 ASN HD21 H 6.90 0.02 1 317 35 35 ASN HD22 H 7.63 0.02 1 318 35 35 ASN C C 176.0 0.3 1 319 35 35 ASN CA C 53.4 0.3 1 320 35 35 ASN CB C 45.0 0.3 1 321 35 35 ASN N N 117.3 0.3 1 322 35 35 ASN ND2 N 112.8 0.3 1 323 36 36 VAL H H 8.78 0.02 1 324 36 36 VAL HA H 3.96 0.02 1 325 36 36 VAL HB H 2.16 0.02 1 326 36 36 VAL C C 175.3 0.3 1 327 36 36 VAL CA C 65.5 0.3 1 328 36 36 VAL CB C 32.5 0.3 1 329 36 36 VAL CG1 C 21.2 0.3 1 330 36 36 VAL CG2 C 21.6 0.3 1 331 36 36 VAL N N 123.3 0.3 1 332 37 37 ASP HA H 4.68 0.02 1 333 37 37 ASP C C 174.8 0.3 1 334 37 37 ASP CA C 55.6 0.3 1 335 37 37 ASP CB C 43.8 0.3 1 336 38 38 ASN H H 8.16 0.02 1 337 38 38 ASN HA H 4.79 0.02 1 338 38 38 ASN HB2 H 3.19 0.02 2 339 38 38 ASN HB3 H 3.01 0.02 2 340 38 38 ASN HD21 H 7.33 0.02 1 341 38 38 ASN HD22 H 6.95 0.02 1 342 38 38 ASN C C 173.9 0.3 1 343 38 38 ASN CA C 55.7 0.3 1 344 38 38 ASN CB C 38.6 0.3 1 345 38 38 ASN N N 111.4 0.3 1 346 38 38 ASN ND2 N 113.1 0.3 1 347 39 39 TYR H H 7.92 0.02 1 348 39 39 TYR HA H 4.82 0.02 1 349 39 39 TYR HB2 H 3.00 0.02 2 350 39 39 TYR HB3 H 2.61 0.02 2 351 39 39 TYR C C 176.3 0.3 1 352 39 39 TYR CA C 61.0 0.3 1 353 39 39 TYR CB C 41.9 0.3 1 354 39 39 TYR CD1 C 132.9 0.3 1 355 39 39 TYR CE1 C 118.1 0.3 1 356 39 39 TYR N N 115.6 0.3 1 357 40 40 ILE H H 9.40 0.02 1 358 40 40 ILE HA H 4.23 0.02 1 359 40 40 ILE HB H 1.90 0.02 1 360 40 40 ILE HG12 H 2.04 0.02 2 361 40 40 ILE HG13 H 0.88 0.02 2 362 40 40 ILE HG2 H 1.04 0.02 1 363 40 40 ILE HD1 H 1.14 0.02 1 364 40 40 ILE C C 175.6 0.3 1 365 40 40 ILE CA C 61.6 0.3 1 366 40 40 ILE CB C 42.9 0.3 1 367 40 40 ILE CG1 C 28.6 0.3 1 368 40 40 ILE CG2 C 17.7 0.3 1 369 40 40 ILE CD1 C 16.6 0.3 1 370 40 40 ILE N N 119.5 0.3 1 371 41 41 SER H H 9.16 0.02 1 372 41 41 SER HA H 4.62 0.02 1 373 41 41 SER C C 176.2 0.3 1 374 41 41 SER CA C 61.0 0.3 1 375 41 41 SER CB C 64.2 0.3 1 376 41 41 SER N N 123.1 0.3 1 377 42 42 ILE H H 9.06 0.02 1 378 42 42 ILE HA H 3.44 0.02 1 379 42 42 ILE HB H 1.62 0.02 1 380 42 42 ILE HG12 H 1.54 0.02 2 381 42 42 ILE HG13 H 0.66 0.02 2 382 42 42 ILE HG2 H 0.76 0.02 1 383 42 42 ILE HD1 H 0.79 0.02 1 384 42 42 ILE C C 176.6 0.3 1 385 42 42 ILE CA C 67.4 0.3 1 386 42 42 ILE CB C 38.5 0.3 1 387 42 42 ILE CG1 C 32.8 0.3 1 388 42 42 ILE CG2 C 18.2 0.3 1 389 42 42 ILE CD1 C 15.1 0.3 1 390 42 42 ILE N N 129.5 0.3 1 391 43 43 ASP H H 8.50 0.02 1 392 43 43 ASP HA H 4.11 0.02 1 393 43 43 ASP HB2 H 2.64 0.02 2 394 43 43 ASP HB3 H 2.54 0.02 2 395 43 43 ASP C C 178.2 0.3 1 396 43 43 ASP CA C 58.0 0.3 1 397 43 43 ASP CB C 40.9 0.3 1 398 43 43 ASP N N 118.7 0.3 1 399 44 44 VAL H H 7.21 0.02 1 400 44 44 VAL HA H 3.64 0.02 1 401 44 44 VAL HB H 2.29 0.02 1 402 44 44 VAL HG1 H 0.92 0.02 1 403 44 44 VAL HG2 H 1.08 0.02 1 404 44 44 VAL C C 178.5 0.3 1 405 44 44 VAL CA C 66.6 0.3 1 406 44 44 VAL CB C 32.5 0.3 1 407 44 44 VAL CG1 C 21.6 0.3 1 408 44 44 VAL CG2 C 23.6 0.3 1 409 44 44 VAL N N 120.5 0.3 1 410 45 45 ILE H H 7.02 0.02 1 411 45 45 ILE HA H 2.81 0.02 1 412 45 45 ILE HB H 1.88 0.02 1 413 45 45 ILE HG12 H 1.55 0.02 2 414 45 45 ILE HG13 H 1.05 0.02 2 415 45 45 ILE HG2 H 0.99 0.02 1 416 45 45 ILE HD1 H 0.81 0.02 1 417 45 45 ILE C C 176.9 0.3 1 418 45 45 ILE CA C 63.8 0.3 1 419 45 45 ILE CB C 38.5 0.3 1 420 45 45 ILE CG1 C 29.8 0.3 1 421 45 45 ILE CG2 C 19.2 0.3 1 422 45 45 ILE CD1 C 14.3 0.3 1 423 45 45 ILE N N 120.7 0.3 1 424 46 46 ALA H H 8.69 0.02 1 425 46 46 ALA HA H 3.79 0.02 1 426 46 46 ALA HB H 1.35 0.02 1 427 46 46 ALA C C 176.5 0.3 1 428 46 46 ALA CA C 54.9 0.3 1 429 46 46 ALA CB C 19.9 0.3 1 430 46 46 ALA N N 118.1 0.3 1 431 47 47 SER H H 7.11 0.02 1 432 47 47 SER HA H 4.26 0.02 1 433 47 47 SER HB2 H 3.93 0.02 2 434 47 47 SER HB3 H 3.98 0.02 2 435 47 47 SER C C 174.9 0.3 1 436 47 47 SER CA C 60.3 0.3 1 437 47 47 SER CB C 65.2 0.3 1 438 47 47 SER N N 109.3 0.3 1 439 48 48 PHE H H 7.46 0.02 1 440 48 48 PHE HA H 4.68 0.02 1 441 48 48 PHE HB2 H 3.43 0.02 2 442 48 48 PHE HB3 H 3.14 0.02 2 443 48 48 PHE C C 178.3 0.3 1 444 48 48 PHE CA C 56.7 0.3 1 445 48 48 PHE CB C 38.8 0.3 1 446 48 48 PHE CD1 C 117.9 0.3 1 447 48 48 PHE CE1 C 119.9 0.3 1 448 48 48 PHE N N 122.2 0.3 1 449 50 50 ARG HA H 4.10 0.02 1 450 50 50 ARG HB2 H 1.92 0.02 2 451 50 50 ARG HB3 H 1.76 0.02 2 452 50 50 ARG HG2 H 1.53 0.02 2 453 50 50 ARG HG3 H 1.66 0.02 2 454 50 50 ARG HD2 H 3.17 0.02 2 455 50 50 ARG HD3 H 3.10 0.02 2 456 50 50 ARG C C 179.0 0.3 1 457 50 50 ARG CA C 59.3 0.3 1 458 50 50 ARG CB C 31.2 0.3 1 459 50 50 ARG CG C 28.2 0.3 1 460 50 50 ARG CD C 43.6 0.3 1 461 51 51 MET H H 7.11 0.02 1 462 51 51 MET HA H 4.55 0.02 1 463 51 51 MET HG2 H 2.79 0.02 2 464 51 51 MET HG3 H 3.34 0.02 2 465 51 51 MET C C 178.1 0.3 1 466 51 51 MET CA C 56.9 0.3 1 467 51 51 MET CB C 31.0 0.3 1 468 51 51 MET CG C 33.3 0.3 1 469 51 51 MET N N 114.8 0.3 1 470 52 52 LYS H H 7.99 0.02 1 471 52 52 LYS HA H 4.06 0.02 1 472 52 52 LYS HB2 H 1.91 0.02 2 473 52 52 LYS HB3 H 1.88 0.02 2 474 52 52 LYS HG2 H 1.49 0.02 2 475 52 52 LYS HG3 H 1.71 0.02 2 476 52 52 LYS CA C 60.1 0.3 1 477 52 52 LYS CB C 33.4 0.3 1 478 52 52 LYS CG C 26.2 0.3 1 479 52 52 LYS CD C 28.6 0.3 1 480 52 52 LYS CE C 43.1 0.3 1 481 52 52 LYS N N 118.7 0.3 1 482 53 53 THR H H 7.43 0.02 1 483 53 53 THR HA H 4.04 0.02 1 484 53 53 THR HB H 4.27 0.02 1 485 53 53 THR HG2 H 1.25 0.02 1 486 53 53 THR C C 174.7 0.3 1 487 53 53 THR CA C 65.0 0.3 1 488 53 53 THR CB C 70.3 0.3 1 489 53 53 THR CG2 C 22.6 0.3 1 490 53 53 THR N N 108.5 0.3 1 491 54 54 ILE H H 7.59 0.02 1 492 54 54 ILE HA H 3.90 0.02 1 493 54 54 ILE HB H 1.89 0.02 1 494 54 54 ILE HG12 H 1.87 0.02 2 495 54 54 ILE HG13 H 0.85 0.02 2 496 54 54 ILE HG2 H 0.88 0.02 1 497 54 54 ILE HD1 H 0.82 0.02 1 498 54 54 ILE C C 176.4 0.3 1 499 54 54 ILE CA C 65.2 0.3 1 500 54 54 ILE CB C 40.2 0.3 1 501 54 54 ILE CG1 C 28.2 0.3 1 502 54 54 ILE CG2 C 20.2 0.3 1 503 54 54 ILE CD1 C 15.2 0.3 1 504 54 54 ILE N N 122.5 0.3 1 505 55 55 SER H H 8.24 0.02 1 506 55 55 SER HA H 4.44 0.02 1 507 55 55 SER HB2 H 3.06 0.02 2 508 55 55 SER HB3 H 3.97 0.02 2 509 55 55 SER C C 173.5 0.3 1 510 55 55 SER CA C 59.7 0.3 1 511 55 55 SER CB C 66.2 0.3 1 512 55 55 SER N N 110.4 0.3 1 513 56 56 THR H H 8.41 0.02 1 514 56 56 THR HA H 4.48 0.02 1 515 56 56 THR HB H 4.65 0.02 1 516 56 56 THR HG2 H 1.26 0.02 1 517 56 56 THR C C 173.5 0.3 1 518 56 56 THR CA C 61.3 0.3 1 519 56 56 THR CB C 69.7 0.3 1 520 56 56 THR CG2 C 22.5 0.3 1 521 56 56 THR N N 114.4 0.3 1 522 57 57 ASP H H 8.42 0.02 1 523 57 57 ASP HA H 4.66 0.02 1 524 57 57 ASP HB2 H 3.04 0.02 2 525 57 57 ASP HB3 H 2.46 0.02 2 526 57 57 ASP C C 175.3 0.3 1 527 57 57 ASP CA C 53.7 0.3 1 528 57 57 ASP CB C 42.2 0.3 1 529 57 57 ASP N N 124.0 0.3 1 530 58 58 LEU H H 8.60 0.02 1 531 58 58 LEU HA H 3.88 0.02 1 532 58 58 LEU HB2 H 1.72 0.02 2 533 58 58 LEU HB3 H 1.62 0.02 2 534 58 58 LEU HG H 1.67 0.02 1 535 58 58 LEU HD1 H 0.79 0.02 1 536 58 58 LEU HD2 H 0.82 0.02 1 537 58 58 LEU C C 179.7 0.3 1 538 58 58 LEU CA C 58.6 0.3 1 539 58 58 LEU CB C 42.5 0.3 1 540 58 58 LEU CG C 28.4 0.3 1 541 58 58 LEU CD1 C 25.3 0.3 1 542 58 58 LEU CD2 C 25.0 0.3 1 543 58 58 LEU N N 126.6 0.3 1 544 59 59 GLN H H 8.24 0.02 1 545 59 59 GLN HA H 4.09 0.02 1 546 59 59 GLN HG2 H 2.35 0.02 2 547 59 59 GLN HG3 H 2.39 0.02 2 548 59 59 GLN HE21 H 7.04 0.02 1 549 59 59 GLN HE22 H 7.78 0.02 1 550 59 59 GLN C C 177.7 0.3 1 551 59 59 GLN CA C 60.3 0.3 1 552 59 59 GLN CB C 28.8 0.3 1 553 59 59 GLN CG C 34.9 0.3 1 554 59 59 GLN N N 120.9 0.3 1 555 59 59 GLN NE2 N 113.6 0.3 1 556 60 60 LEU H H 7.48 0.02 1 557 60 60 LEU HA H 3.99 0.02 1 558 60 60 LEU HB2 H 1.81 0.02 2 559 60 60 LEU HB3 H 1.55 0.02 2 560 60 60 LEU HG H 1.51 0.02 1 561 60 60 LEU HD1 H 0.90 0.02 1 562 60 60 LEU HD2 H 0.83 0.02 1 563 60 60 LEU C C 180.1 0.3 1 564 60 60 LEU CA C 58.9 0.3 1 565 60 60 LEU CB C 42.4 0.3 1 566 60 60 LEU CG C 28.1 0.3 1 567 60 60 LEU CD1 C 26.0 0.3 1 568 60 60 LEU CD2 C 25.7 0.3 1 569 60 60 LEU N N 123.2 0.3 1 570 61 61 ILE H H 8.40 0.02 1 571 61 61 ILE HA H 3.63 0.02 1 572 61 61 ILE HB H 1.79 0.02 1 573 61 61 ILE HG12 H 1.87 0.02 2 574 61 61 ILE HG13 H 0.75 0.02 2 575 61 61 ILE HG2 H 0.70 0.02 1 576 61 61 ILE HD1 H 0.69 0.02 1 577 61 61 ILE C C 176.7 0.3 1 578 61 61 ILE CA C 66.7 0.3 1 579 61 61 ILE CB C 39.7 0.3 1 580 61 61 ILE CG1 C 30.1 0.3 1 581 61 61 ILE CG2 C 17.0 0.3 1 582 61 61 ILE CD1 C 14.6 0.3 1 583 61 61 ILE N N 118.7 0.3 1 584 62 62 THR H H 8.12 0.02 1 585 62 62 THR HA H 3.59 0.02 1 586 62 62 THR HB H 4.32 0.02 1 587 62 62 THR HG2 H 1.24 0.02 1 588 62 62 THR C C 175.6 0.3 1 589 62 62 THR CA C 69.6 0.3 1 590 62 62 THR CB C 70.1 0.3 1 591 62 62 THR CG2 C 21.8 0.3 1 592 62 62 THR N N 115.7 0.3 1 593 63 63 GLU H H 8.13 0.02 1 594 63 63 GLU HA H 3.83 0.02 1 595 63 63 GLU HB2 H 2.01 0.02 2 596 63 63 GLU HB3 H 2.06 0.02 2 597 63 63 GLU C C 179.5 0.3 1 598 63 63 GLU CA C 60.2 0.3 1 599 63 63 GLU CB C 30.3 0.3 1 600 63 63 GLU CG C 37.4 0.3 1 601 63 63 GLU N N 118.6 0.3 1 602 64 64 ALA H H 8.25 0.02 1 603 64 64 ALA HA H 4.06 0.02 1 604 64 64 ALA HB H 1.55 0.02 1 605 64 64 ALA C C 180.3 0.3 1 606 64 64 ALA CA C 55.9 0.3 1 607 64 64 ALA CB C 19.4 0.3 1 608 64 64 ALA N N 121.7 0.3 1 609 65 65 LEU H H 7.89 0.02 1 610 65 65 LEU HA H 3.93 0.02 1 611 65 65 LEU HB2 H 1.95 0.02 2 612 65 65 LEU HB3 H 1.17 0.02 2 613 65 65 LEU HD1 H 2.31 0.02 1 614 65 65 LEU HD2 H 0.77 0.02 1 615 65 65 LEU C C 179.4 0.3 1 616 65 65 LEU CA C 58.1 0.3 1 617 65 65 LEU CB C 41.8 0.3 1 618 65 65 LEU CG C 31.1 0.3 1 619 65 65 LEU CD1 C 27.0 0.3 1 620 65 65 LEU CD2 C 23.4 0.3 1 621 65 65 LEU N N 114.6 0.3 1 622 66 66 LYS H H 7.69 0.02 1 623 66 66 LYS HA H 3.99 0.02 1 624 66 66 LYS HB2 H 1.99 0.02 2 625 66 66 LYS HB3 H 1.86 0.02 2 626 66 66 LYS C C 177.0 0.3 1 627 66 66 LYS CA C 60.0 0.3 1 628 66 66 LYS CB C 33.7 0.3 1 629 66 66 LYS CG C 26.3 0.3 1 630 66 66 LYS CD C 30.1 0.3 1 631 66 66 LYS CE C 42.9 0.3 1 632 66 66 LYS N N 117.8 0.3 1 633 67 67 LYS H H 7.31 0.02 1 634 67 67 LYS HA H 4.35 0.02 1 635 67 67 LYS HB2 H 2.03 0.02 2 636 67 67 LYS HB3 H 1.92 0.02 2 637 67 67 LYS HG2 H 1.58 0.02 2 638 67 67 LYS HG3 H 1.43 0.02 2 639 67 67 LYS C C 177.1 0.3 1 640 67 67 LYS CA C 57.0 0.3 1 641 67 67 LYS CB C 33.4 0.3 1 642 67 67 LYS CG C 26.0 0.3 1 643 67 67 LYS CD C 29.9 0.3 1 644 67 67 LYS CE C 43.2 0.3 1 645 67 67 LYS N N 115.6 0.3 1 646 68 68 SER H H 7.37 0.02 1 647 68 68 SER HA H 4.33 0.02 1 648 68 68 SER HB2 H 4.02 0.02 2 649 68 68 SER HB3 H 3.84 0.02 2 650 68 68 SER C C 176.3 0.3 1 651 68 68 SER CA C 59.5 0.3 1 652 68 68 SER CB C 65.7 0.3 1 653 68 68 SER N N 113.1 0.3 1 654 69 69 THR H H 9.37 0.02 1 655 69 69 THR HA H 4.52 0.02 1 656 69 69 THR HB H 4.47 0.02 1 657 69 69 THR HG2 H 1.29 0.02 1 658 69 69 THR C C 175.0 0.3 1 659 69 69 THR CA C 63.2 0.3 1 660 69 69 THR CB C 70.2 0.3 1 661 69 69 THR CG2 C 22.7 0.3 1 662 69 69 THR N N 117.2 0.3 1 663 70 70 ARG H H 8.34 0.02 1 664 70 70 ARG HA H 4.50 0.02 1 665 70 70 ARG HB2 H 1.90 0.02 2 666 70 70 ARG HB3 H 1.44 0.02 2 667 70 70 ARG C C 174.9 0.3 1 668 70 70 ARG CA C 57.0 0.3 1 669 70 70 ARG CB C 33.6 0.3 1 670 70 70 ARG CG C 28.0 0.3 1 671 70 70 ARG CD C 44.1 0.3 1 672 70 70 ARG N N 119.1 0.3 1 673 71 71 LEU H H 7.18 0.02 1 674 71 71 LEU HA H 4.92 0.02 1 675 71 71 LEU HB2 H 1.36 0.02 2 676 71 71 LEU HB3 H 1.09 0.02 2 677 71 71 LEU HG H 0.69 0.02 1 678 71 71 LEU C C 174.4 0.3 1 679 71 71 LEU CA C 53.4 0.3 1 680 71 71 LEU CB C 45.6 0.3 1 681 71 71 LEU CG C 27.9 0.3 1 682 71 71 LEU CD1 C 23.3 0.3 1 683 71 71 LEU CD2 C 22.9 0.3 1 684 71 71 LEU N N 119.1 0.3 1 685 72 72 GLN H H 8.74 0.02 1 686 72 72 GLN HA H 4.67 0.02 1 687 72 72 GLN HG2 H 2.26 0.02 2 688 72 72 GLN HG3 H 2.35 0.02 2 689 72 72 GLN HE21 H 6.76 0.02 1 690 72 72 GLN HE22 H 7.56 0.02 1 691 72 72 GLN C C 174.1 0.3 1 692 72 72 GLN CA C 55.2 0.3 1 693 72 72 GLN CB C 33.4 0.3 1 694 72 72 GLN CG C 34.2 0.3 1 695 72 72 GLN N N 120.4 0.3 1 696 72 72 GLN NE2 N 111.2 0.3 1 697 73 73 VAL H H 8.93 0.02 1 698 73 73 VAL HA H 4.97 0.02 1 699 73 73 VAL HB H 1.94 0.02 1 700 73 73 VAL HG1 H 1.17 0.02 1 701 73 73 VAL HG2 H 0.83 0.02 1 702 73 73 VAL C C 176.5 0.3 1 703 73 73 VAL CA C 61.9 0.3 1 704 73 73 VAL CB C 33.4 0.3 1 705 73 73 VAL CG1 C 21.7 0.3 1 706 73 73 VAL CG2 C 23.8 0.3 1 707 73 73 VAL N N 128.8 0.3 1 708 74 74 SER H H 8.77 0.02 1 709 74 74 SER HA H 4.07 0.02 1 710 74 74 SER HB2 H 3.85 0.02 2 711 74 74 SER HB3 H 2.73 0.02 2 712 74 74 SER C C 176.6 0.3 1 713 74 74 SER CA C 60.0 0.3 1 714 74 74 SER CB C 64.3 0.3 1 715 74 74 SER N N 123.3 0.3 1 716 75 75 GLU H H 9.02 0.02 1 717 75 75 GLU HA H 3.97 0.02 1 718 75 75 GLU HB2 H 2.33 0.02 2 719 75 75 GLU HB3 H 2.02 0.02 2 720 75 75 GLU C C 177.6 0.3 1 721 75 75 GLU CA C 60.8 0.3 1 722 75 75 GLU CB C 30.1 0.3 1 723 75 75 GLU CG C 37.5 0.3 1 724 75 75 GLU N N 123.0 0.3 1 725 76 76 ASP H H 7.97 0.02 1 726 76 76 ASP HA H 4.36 0.02 1 727 76 76 ASP HB2 H 2.96 0.02 2 728 76 76 ASP HB3 H 2.59 0.02 2 729 76 76 ASP C C 177.2 0.3 1 730 76 76 ASP CA C 54.3 0.3 1 731 76 76 ASP CB C 41.0 0.3 1 732 76 76 ASP N N 114.7 0.3 1 733 77 77 GLY H H 8.24 0.02 1 734 77 77 GLY HA2 H 4.00 0.02 2 735 77 77 GLY HA3 H 3.45 0.02 2 736 77 77 GLY C C 173.9 0.3 1 737 77 77 GLY CA C 46.7 0.3 1 738 77 77 GLY N N 109.1 0.3 1 739 78 78 LYS H H 7.66 0.02 1 740 78 78 LYS HA H 4.29 0.02 1 741 78 78 LYS HB2 H 1.86 0.02 2 742 78 78 LYS HB3 H 1.77 0.02 2 743 78 78 LYS HG2 H 1.26 0.02 2 744 78 78 LYS HG3 H 1.17 0.02 2 745 78 78 LYS C C 177.2 0.3 1 746 78 78 LYS CA C 57.7 0.3 1 747 78 78 LYS CB C 35.1 0.3 1 748 78 78 LYS CG C 25.8 0.3 1 749 78 78 LYS CD C 29.5 0.3 1 750 78 78 LYS CE C 43.1 0.3 1 751 78 78 LYS N N 113.9 0.3 1 752 79 79 MET H H 8.11 0.02 1 753 79 79 MET HA H 5.39 0.02 1 754 79 79 MET HB2 H 2.02 0.02 2 755 79 79 MET HB3 H 1.45 0.02 2 756 79 79 MET HG2 H 2.39 0.02 2 757 79 79 MET HG3 H 2.19 0.02 2 758 79 79 MET C C 172.9 0.3 1 759 79 79 MET CA C 55.0 0.3 1 760 79 79 MET CB C 37.8 0.3 1 761 79 79 MET CG C 33.2 0.3 1 762 79 79 MET N N 117.5 0.3 1 763 80 80 VAL H H 9.84 0.02 1 764 80 80 VAL HA H 5.73 0.02 1 765 80 80 VAL HB H 1.84 0.02 1 766 80 80 VAL HG1 H 0.96 0.02 1 767 80 80 VAL HG2 H 0.81 0.02 1 768 80 80 VAL C C 171.7 0.3 1 769 80 80 VAL CA C 59.9 0.3 1 770 80 80 VAL CB C 36.8 0.3 1 771 80 80 VAL CG1 C 20.6 0.3 1 772 80 80 VAL CG2 C 24.3 0.3 1 773 80 80 VAL N N 119.5 0.3 1 774 81 81 ARG H H 8.72 0.02 1 775 81 81 ARG HA H 4.84 0.02 1 776 81 81 ARG HB2 H 1.57 0.02 2 777 81 81 ARG HB3 H 0.85 0.02 2 778 81 81 ARG HG2 H 1.08 0.02 2 779 81 81 ARG HG3 H 0.79 0.02 2 780 81 81 ARG HD2 H 2.06 0.02 2 781 81 81 ARG HD3 H 1.60 0.02 2 782 81 81 ARG C C 173.8 0.3 1 783 81 81 ARG CA C 54.1 0.3 1 784 81 81 ARG CB C 35.4 0.3 1 785 81 81 ARG CG C 26.0 0.3 1 786 81 81 ARG CD C 44.2 0.3 1 787 81 81 ARG N N 122.9 0.3 1 788 82 82 ARG H H 8.33 0.02 1 789 82 82 ARG HA H 4.12 0.02 1 790 82 82 ARG HB2 H 1.68 0.02 2 791 82 82 ARG HB3 H 1.57 0.02 2 792 82 82 ARG HG2 H 1.57 0.02 2 793 82 82 ARG HG3 H 1.63 0.02 2 794 82 82 ARG HD2 H 2.78 0.02 2 795 82 82 ARG HD3 H 3.29 0.02 2 796 82 82 ARG C C 176.0 0.3 1 797 82 82 ARG CA C 56.3 0.3 1 798 82 82 ARG CB C 32.4 0.3 1 799 82 82 ARG CG C 27.7 0.3 1 800 82 82 ARG CD C 44.9 0.3 1 801 82 82 ARG N N 119.1 0.3 1 802 83 83 LEU H H 7.62 0.02 1 803 83 83 LEU HA H 4.06 0.02 1 804 83 83 LEU HG H 1.15 0.02 1 805 83 83 LEU HD1 H 0.64 0.02 1 806 83 83 LEU HD2 H 0.71 0.02 1 807 83 83 LEU C C 177.6 0.3 1 808 83 83 LEU CA C 57.1 0.3 1 809 83 83 LEU CB C 44.3 0.3 1 810 83 83 LEU CG C 27.9 0.3 1 811 83 83 LEU CD1 C 25.7 0.3 1 812 83 83 LEU CD2 C 24.8 0.3 1 813 83 83 LEU N N 122.8 0.3 1 814 84 84 ASP H H 8.19 0.02 1 815 84 84 ASP HA H 4.83 0.02 1 816 84 84 ASP HB2 H 2.64 0.02 2 817 84 84 ASP HB3 H 2.37 0.02 2 818 84 84 ASP C C 174.8 0.3 1 819 84 84 ASP CA C 53.8 0.3 1 820 84 84 ASP CB C 41.2 0.3 1 821 84 84 ASP N N 120.4 0.3 1 822 85 85 PRO HA H 4.39 0.02 1 823 85 85 PRO HB2 H 2.30 0.02 2 824 85 85 PRO HB3 H 1.86 0.02 2 825 85 85 PRO HD2 H 3.87 0.02 2 826 85 85 PRO HD3 H 3.67 0.02 2 827 85 85 PRO C C 176.8 0.3 1 828 85 85 PRO CA C 63.7 0.3 1 829 85 85 PRO CB C 33.3 0.3 1 830 85 85 PRO CG C 28.4 0.3 1 831 85 85 PRO CD C 51.7 0.3 1 832 86 86 LEU H H 8.66 0.02 1 833 86 86 LEU HA H 4.41 0.02 1 834 86 86 LEU HB2 H 1.57 0.02 2 835 86 86 LEU HB3 H 1.51 0.02 2 836 86 86 LEU HG H 1.74 0.02 1 837 86 86 LEU HD1 H 0.92 0.02 1 838 86 86 LEU HD2 H 0.87 0.02 1 839 86 86 LEU C C 175.1 0.3 1 840 86 86 LEU CA C 54.3 0.3 1 841 86 86 LEU CB C 41.9 0.3 1 842 86 86 LEU CG C 28.4 0.3 1 843 86 86 LEU CD1 C 26.1 0.3 1 844 86 86 LEU CD2 C 24.5 0.3 1 845 86 86 LEU N N 124.2 0.3 1 846 87 87 PRO HA H 4.41 0.02 1 847 87 87 PRO HB2 H 1.88 0.02 2 848 87 87 PRO HB3 H 2.27 0.02 2 849 87 87 PRO HD2 H 3.81 0.02 2 850 87 87 PRO HD3 H 3.51 0.02 2 851 87 87 PRO C C 176.8 0.3 1 852 87 87 PRO CA C 63.9 0.3 1 853 87 87 PRO CB C 33.1 0.3 1 854 87 87 PRO CG C 28.4 0.3 1 855 87 87 PRO CD C 51.6 0.3 1 856 88 88 GLU H H 8.55 0.02 1 857 88 88 GLU HA H 4.17 0.02 1 858 88 88 GLU HB2 H 1.90 0.02 2 859 88 88 GLU HB3 H 1.97 0.02 2 860 88 88 GLU HG2 H 2.17 0.02 2 861 88 88 GLU HG3 H 2.24 0.02 2 862 88 88 GLU C C 176.4 0.3 1 863 88 88 GLU CA C 57.8 0.3 1 864 88 88 GLU CB C 31.3 0.3 1 865 88 88 GLU CG C 37.2 0.3 1 866 88 88 GLU N N 120.4 0.3 1 867 89 89 ASN H H 8.44 0.02 1 868 89 89 ASN HA H 4.67 0.02 1 869 89 89 ASN HD21 H 6.85 0.02 1 870 89 89 ASN HD22 H 7.69 0.02 1 871 89 89 ASN C C 175.1 0.3 1 872 89 89 ASN CA C 54.3 0.3 1 873 89 89 ASN CB C 39.5 0.3 1 874 89 89 ASN N N 118.2 0.3 1 875 89 89 ASN ND2 N 112.5 0.3 1 876 90 90 ILE H H 7.86 0.02 1 877 90 90 ILE HA H 4.12 0.02 1 878 90 90 ILE HB H 1.84 0.02 1 879 90 90 ILE HG12 H 1.39 0.02 2 880 90 90 ILE HG13 H 1.13 0.02 2 881 90 90 ILE HG2 H 0.84 0.02 1 882 90 90 ILE HD1 H 0.82 0.02 1 883 90 90 ILE C C 175.4 0.3 1 884 90 90 ILE CA C 62.1 0.3 1 885 90 90 ILE CB C 39.7 0.3 1 886 90 90 ILE CG1 C 28.2 0.3 1 887 90 90 ILE CG2 C 18.5 0.3 1 888 90 90 ILE CD1 C 14.3 0.3 1 889 90 90 ILE N N 119.8 0.3 1 890 91 91 ASP H H 8.37 0.02 1 891 91 91 ASP HA H 4.62 0.02 1 892 91 91 ASP HB2 H 2.57 0.02 2 893 91 91 ASP HB3 H 2.74 0.02 2 894 91 91 ASP C C 176.3 0.3 1 895 91 91 ASP CA C 55.2 0.3 1 896 91 91 ASP CB C 42.2 0.3 1 897 91 91 ASP N N 123.8 0.3 1 stop_ save_