data_27093 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignment of human MOZART1 protein (mitotic-spindle organizing protein associated with a ring of gamma-tubulin 1) ; _BMRB_accession_number 27093 _BMRB_flat_file_name bmr27093.str _Entry_type original _Submission_date 2017-05-04 _Accession_date 2017-05-04 _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 Cukier Cyprian D. . 2 Gervais Virginie . . 3 Milon Alain . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 371 "13C chemical shifts" 298 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-03 update BMRB 'update entry citation' 2017-09-15 original author 'original release' stop_ _Original_release_date 2017-05-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR secondary structure and interactions of recombinant human MOZART1 protein, a component of the gamma-tubulin complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28851027 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cukier Cyprian D. . 2 Tourdes Audrey . . 3 El-Mazouni Dounia . . 4 Guillet Valerie . . 5 Nomme Julian . . 6 Mourey Lionel . . 7 Milon Alain . . 8 Merdes Andreas . . 9 Gervais Virginie . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 26 _Journal_issue 11 _Journal_ISSN 1469-896X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2240 _Page_last 2248 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MOZART1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MOZART1 $MOZART1 stop_ _System_molecular_weight 8760 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 MOZART1 stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MOZART1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MOZART1 _Molecular_mass 8760 _Mol_thiol_state 'all free' loop_ _Biological_function 'regulation of gamma-tubulin ring complexes' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; GSHMASSSGAGAAAAAAAAN LNAVRETMDVLLEISRILNT GLDMETLSICVRLCEQGINP EALSSVIKELRKATEALKAA ENMTS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 ALA 6 3 SER 7 4 SER 8 5 SER 9 6 GLY 10 7 ALA 11 8 GLY 12 9 ALA 13 10 ALA 14 11 ALA 15 12 ALA 16 13 ALA 17 14 ALA 18 15 ALA 19 16 ALA 20 17 ASN 21 18 LEU 22 19 ASN 23 20 ALA 24 21 VAL 25 22 ARG 26 23 GLU 27 24 THR 28 25 MET 29 26 ASP 30 27 VAL 31 28 LEU 32 29 LEU 33 30 GLU 34 31 ILE 35 32 SER 36 33 ARG 37 34 ILE 38 35 LEU 39 36 ASN 40 37 THR 41 38 GLY 42 39 LEU 43 40 ASP 44 41 MET 45 42 GLU 46 43 THR 47 44 LEU 48 45 SER 49 46 ILE 50 47 CYS 51 48 VAL 52 49 ARG 53 50 LEU 54 51 CYS 55 52 GLU 56 53 GLN 57 54 GLY 58 55 ILE 59 56 ASN 60 57 PRO 61 58 GLU 62 59 ALA 63 60 LEU 64 61 SER 65 62 SER 66 63 VAL 67 64 ILE 68 65 LYS 69 66 GLU 70 67 LEU 71 68 ARG 72 69 LYS 73 70 ALA 74 71 THR 75 72 GLU 76 73 ALA 77 74 LEU 78 75 LYS 79 76 ALA 80 77 ALA 81 78 GLU 82 79 ASN 83 80 MET 84 81 THR 85 82 SER 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 UNP Q08AG7 'Mitotic-spindle organizing protein 1' . . . . . 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 $MOZART1 Human 9606 Eukaryota Metazoa Homo sapiens MOZART1/MZT1 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 $MOZART1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET28a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MOZART1 0.55 mM 0.45 0.70 '[U-99% 13C; U-99% 15N]' 'sodium phosphate pH 6.0' 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' sulfobetaine-12 30-50 mM . . 'natural abundance' DSS 10 uM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MOZART1 0.56 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate pH 6.0' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' sulfobetaine-12 50 mM 'd25 (25 protons substituted by deuters)' DSS 10 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_BEST-HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_BEST-HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-HNCACB' _Sample_label $sample_1 save_ save_3D_BEST-HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-HNCO' _Sample_label $sample_1 save_ save_3D_BEST-HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HC(C)H-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 pH 6 . pH pressure 1 . atm temperature 310 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D BEST-HN(CO)CACB' '3D BEST-HNCACB' '3D BEST-HNCO' '3D BEST-HN(CA)CO' '3D HC(C)H-TOCSY' '3D (H)CCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MOZART1 _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 0 3 HIS HA H 4.63 0.01 1 2 0 3 HIS HB2 H 3.14 0.01 2 3 0 3 HIS HB3 H 3.09 0.01 2 4 0 3 HIS CA C 56.45 0.05 1 5 0 3 HIS CB C 30.59 0.05 1 6 1 4 MET HA H 4.40 0.01 1 7 1 4 MET HB2 H 2.03 0.01 2 8 1 4 MET HB3 H 1.93 0.01 2 9 1 4 MET HG2 H 2.50 0.01 1 10 1 4 MET HG3 H 2.44 0.01 1 11 1 4 MET C C 175.75 0.01 1 12 1 4 MET CA C 55.54 0.03 1 13 1 4 MET CB C 33.04 0.07 1 14 1 4 MET CG C 31.92 0.02 1 15 2 5 ALA H H 8.29 0.01 1 16 2 5 ALA C C 177.73 0.01 1 17 2 5 ALA CA C 52.68 0.01 1 18 2 5 ALA CB C 19.27 0.01 1 19 2 5 ALA N N 125.24 0.03 1 20 5 8 SER C C 175.09 0.01 1 21 5 8 SER CA C 58.73 0.01 1 22 6 9 GLY H H 8.33 0.01 1 23 6 9 GLY HA2 H 3.98 0.01 2 24 6 9 GLY HA3 H 3.98 0.01 2 25 6 9 GLY C C 174.36 0.01 1 26 6 9 GLY CA C 45.57 0.01 1 27 6 9 GLY N N 110.57 0.03 1 28 7 10 ALA H H 8.21 0.01 1 29 7 10 ALA HA H 4.27 0.01 1 30 7 10 ALA HB H 1.40 0.01 1 31 7 10 ALA C C 178.68 0.01 1 32 7 10 ALA CA C 53.35 0.03 1 33 7 10 ALA CB C 19.15 0.01 1 34 7 10 ALA N N 123.88 0.03 1 35 8 11 GLY H H 8.39 0.01 1 36 8 11 GLY HA2 H 3.95 0.01 2 37 8 11 GLY HA3 H 3.90 0.01 2 38 8 11 GLY C C 174.90 0.01 1 39 8 11 GLY CA C 45.87 0.02 1 40 8 11 GLY N N 107.61 0.03 1 41 9 12 ALA H H 8.06 0.01 1 42 9 12 ALA HA H 4.23 0.01 1 43 9 12 ALA HB H 1.40 0.01 1 44 9 12 ALA C C 178.92 0.01 1 45 9 12 ALA CA C 53.72 0.01 1 46 9 12 ALA CB C 18.88 0.01 1 47 9 12 ALA N N 124.12 0.02 1 48 16 19 ALA H H 7.90 0.01 1 49 16 19 ALA C C 178.65 0.01 1 50 16 19 ALA CA C 53.69 0.01 1 51 16 19 ALA CB C 18.76 0.01 1 52 16 19 ALA N N 120.63 0.01 1 53 17 20 ASN H H 8.04 0.01 1 54 17 20 ASN HA H 4.64 0.01 1 55 17 20 ASN HB2 H 2.81 0.01 2 56 17 20 ASN HB3 H 2.81 0.01 2 57 17 20 ASN HD21 H 7.50 0.01 2 58 17 20 ASN HD22 H 6.90 0.01 2 59 17 20 ASN C C 176.02 0.01 1 60 17 20 ASN CA C 54.29 0.02 1 61 17 20 ASN CB C 38.90 0.03 1 62 17 20 ASN N N 116.70 0.03 1 63 17 20 ASN ND2 N 111.94 0.01 1 64 18 21 LEU H H 8.07 0.01 1 65 18 21 LEU HA H 4.17 0.01 1 66 18 21 LEU HB2 H 1.75 0.01 2 67 18 21 LEU HB3 H 1.63 0.01 2 68 18 21 LEU HG H 1.71 0.01 1 69 18 21 LEU HD1 H 0.91 0.01 2 70 18 21 LEU HD2 H 0.88 0.01 2 71 18 21 LEU C C 178.14 0.01 1 72 18 21 LEU CA C 56.71 0.13 1 73 18 21 LEU CB C 41.84 0.06 1 74 18 21 LEU CG C 27.08 0.01 1 75 18 21 LEU CD1 C 25.10 0.01 2 76 18 21 LEU CD2 C 23.89 0.01 2 77 18 21 LEU N N 120.97 0.04 1 78 19 22 ASN H H 8.33 0.01 1 79 19 22 ASN HA H 4.50 0.01 1 80 19 22 ASN HB2 H 2.83 0.01 2 81 19 22 ASN HB3 H 2.83 0.01 2 82 19 22 ASN HD21 H 7.59 0.01 2 83 19 22 ASN HD22 H 6.90 0.01 2 84 19 22 ASN C C 176.25 0.01 1 85 19 22 ASN CA C 55.49 0.03 1 86 19 22 ASN CB C 38.47 0.02 1 87 19 22 ASN N N 118.24 0.04 1 88 19 22 ASN ND2 N 112.98 0.01 1 89 20 23 ALA H H 7.98 0.01 1 90 20 23 ALA HA H 4.20 0.01 1 91 20 23 ALA HB H 1.43 0.01 1 92 20 23 ALA C C 179.71 0.01 1 93 20 23 ALA CA C 54.09 0.20 1 94 20 23 ALA CB C 18.80 0.07 1 95 20 23 ALA N N 121.59 0.06 1 96 21 24 VAL H H 7.83 0.01 1 97 21 24 VAL HA H 3.77 0.01 1 98 21 24 VAL HB H 2.26 0.01 1 99 21 24 VAL HG1 H 1.03 0.01 2 100 21 24 VAL HG2 H 0.93 0.01 2 101 21 24 VAL C C 176.90 0.01 1 102 21 24 VAL CA C 65.33 0.05 1 103 21 24 VAL CB C 31.82 0.05 1 104 21 24 VAL CG1 C 22.43 0.10 2 105 21 24 VAL CG2 C 21.68 0.06 2 106 21 24 VAL N N 118.44 0.03 1 107 22 25 ARG H H 8.16 0.01 1 108 22 25 ARG HA H 3.98 0.01 1 109 22 25 ARG HB2 H 1.98 0.01 2 110 22 25 ARG HB3 H 1.90 0.01 2 111 22 25 ARG C C 177.82 0.01 1 112 22 25 ARG CA C 59.34 0.02 1 113 22 25 ARG CB C 30.10 0.05 1 114 22 25 ARG N N 121.94 0.03 1 115 23 26 GLU H H 8.47 0.01 1 116 23 26 GLU HA H 4.18 0.01 1 117 23 26 GLU HB2 H 2.03 0.02 2 118 23 26 GLU HB3 H 2.03 0.02 2 119 23 26 GLU HG2 H 2.38 0.01 2 120 23 26 GLU HG3 H 2.29 0.01 2 121 23 26 GLU C C 178.70 0.01 1 122 23 26 GLU CA C 59.05 0.06 1 123 23 26 GLU CB C 30.00 0.06 1 124 23 26 GLU CG C 36.75 0.01 1 125 23 26 GLU N N 117.90 0.02 1 126 24 27 THR H H 7.83 0.01 1 127 24 27 THR HA H 3.86 0.01 1 128 24 27 THR HB H 4.25 0.01 1 129 24 27 THR HG2 H 1.15 0.01 1 130 24 27 THR C C 176.02 0.01 1 131 24 27 THR CA C 67.07 0.05 1 132 24 27 THR CB C 68.40 0.11 1 133 24 27 THR CG2 C 21.89 0.05 1 134 24 27 THR N N 115.77 0.03 1 135 25 28 MET H H 8.41 0.01 1 136 25 28 MET HA H 4.14 0.03 1 137 25 28 MET HB2 H 2.18 0.02 2 138 25 28 MET HB3 H 2.12 0.02 2 139 25 28 MET HG2 H 2.64 0.01 2 140 25 28 MET HG3 H 2.56 0.01 2 141 25 28 MET C C 177.47 0.01 1 142 25 28 MET CA C 58.41 0.06 1 143 25 28 MET CB C 31.74 0.08 1 144 25 28 MET CG C 32.47 0.09 1 145 25 28 MET N N 120.39 0.03 1 146 26 29 ASP H H 8.24 0.01 1 147 26 29 ASP HA H 4.46 0.01 1 148 26 29 ASP HB2 H 2.84 0.01 2 149 26 29 ASP HB3 H 2.63 0.01 2 150 26 29 ASP C C 179.32 0.01 1 151 26 29 ASP CA C 57.61 0.09 1 152 26 29 ASP CB C 40.50 0.04 1 153 26 29 ASP N N 119.19 0.03 1 154 27 30 VAL H H 7.67 0.01 1 155 27 30 VAL HA H 3.72 0.01 1 156 27 30 VAL HB H 2.30 0.01 1 157 27 30 VAL HG1 H 1.12 0.01 2 158 27 30 VAL HG2 H 0.95 0.01 2 159 27 30 VAL C C 177.60 0.01 1 160 27 30 VAL CA C 66.53 0.08 1 161 27 30 VAL CB C 31.68 0.06 1 162 27 30 VAL CG1 C 23.14 0.11 2 163 27 30 VAL CG2 C 21.66 0.08 2 164 27 30 VAL N N 119.80 0.04 1 165 28 31 LEU H H 8.10 0.01 1 166 28 31 LEU HA H 3.96 0.01 1 167 28 31 LEU HB2 H 1.97 0.01 2 168 28 31 LEU HB3 H 1.47 0.01 2 169 28 31 LEU HG H 1.88 0.01 1 170 28 31 LEU HD2 H 0.81 0.01 2 171 28 31 LEU C C 179.24 0.01 1 172 28 31 LEU CA C 58.37 0.10 1 173 28 31 LEU CB C 41.42 0.10 1 174 28 31 LEU CG C 26.99 0.01 1 175 28 31 LEU CD1 C 25.60 0.01 2 176 28 31 LEU CD2 C 23.22 0.04 2 177 28 31 LEU N N 119.42 0.03 1 178 29 32 LEU H H 8.54 0.01 1 179 29 32 LEU HA H 4.02 0.01 1 180 29 32 LEU HB2 H 1.91 0.01 2 181 29 32 LEU HB3 H 1.66 0.01 2 182 29 32 LEU HG H 1.75 0.01 1 183 29 32 LEU HD1 H 0.93 0.01 2 184 29 32 LEU HD2 H 0.90 0.01 2 185 29 32 LEU C C 179.94 0.01 1 186 29 32 LEU CA C 58.03 0.07 1 187 29 32 LEU CB C 41.38 0.06 1 188 29 32 LEU CG C 27.38 0.02 1 189 29 32 LEU CD1 C 25.00 0.03 2 190 29 32 LEU CD2 C 23.90 0.01 2 191 29 32 LEU N N 119.39 0.02 1 192 30 33 GLU H H 7.79 0.01 1 193 30 33 GLU HA H 4.34 0.01 1 194 30 33 GLU HB2 H 2.17 0.01 2 195 30 33 GLU HB3 H 2.11 0.01 2 196 30 33 GLU HG2 H 2.40 0.01 2 197 30 33 GLU HG3 H 2.26 0.01 2 198 30 33 GLU C C 179.25 0.03 1 199 30 33 GLU CA C 59.01 0.04 1 200 30 33 GLU CB C 29.24 0.04 1 201 30 33 GLU CG C 35.31 0.08 1 202 30 33 GLU N N 120.87 0.04 1 203 31 34 ILE H H 8.40 0.01 1 204 31 34 ILE HA H 3.63 0.01 1 205 31 34 ILE HB H 2.00 0.01 1 206 31 34 ILE HG12 H 1.90 0.01 2 207 31 34 ILE HG13 H 1.01 0.01 2 208 31 34 ILE HG2 H 0.84 0.01 1 209 31 34 ILE HD1 H 0.79 0.01 1 210 31 34 ILE C C 177.61 0.01 1 211 31 34 ILE CA C 65.60 0.06 1 212 31 34 ILE CB C 37.54 0.08 1 213 31 34 ILE CG1 C 29.43 0.09 1 214 31 34 ILE CG2 C 17.57 0.04 1 215 31 34 ILE CD1 C 13.76 0.04 1 216 31 34 ILE N N 119.02 0.03 1 217 32 35 SER H H 8.25 0.01 1 218 32 35 SER C C 175.98 0.01 1 219 32 35 SER CA C 62.92 0.07 1 220 32 35 SER N N 114.43 0.04 1 221 33 36 ARG H H 7.77 0.01 1 222 33 36 ARG HA H 4.14 0.01 1 223 33 36 ARG C C 179.34 0.03 1 224 33 36 ARG CA C 59.41 0.04 1 225 33 36 ARG CB C 30.47 0.08 1 226 33 36 ARG N N 121.06 0.05 1 227 34 37 ILE H H 8.04 0.01 1 228 34 37 ILE HA H 3.85 0.01 1 229 34 37 ILE HB H 1.98 0.01 1 230 34 37 ILE HG12 H 1.77 0.01 2 231 34 37 ILE HG13 H 1.22 0.01 2 232 34 37 ILE HG2 H 0.91 0.01 1 233 34 37 ILE HD1 H 0.86 0.01 1 234 34 37 ILE C C 177.66 0.01 1 235 34 37 ILE CA C 64.36 0.04 1 236 34 37 ILE CB C 38.26 0.05 1 237 34 37 ILE CG1 C 29.01 0.04 1 238 34 37 ILE CG2 C 17.70 0.03 1 239 34 37 ILE CD1 C 13.89 0.04 1 240 34 37 ILE N N 119.75 0.04 1 241 35 38 LEU H H 8.05 0.01 1 242 35 38 LEU HA H 4.14 0.01 1 243 35 38 LEU HB2 H 1.82 0.02 2 244 35 38 LEU HB3 H 1.51 0.01 2 245 35 38 LEU HD1 H 0.82 0.01 2 246 35 38 LEU HD2 H 0.82 0.01 2 247 35 38 LEU C C 176.88 0.01 1 248 35 38 LEU CA C 56.38 0.06 1 249 35 38 LEU CB C 41.97 0.04 1 250 35 38 LEU CD1 C 26.00 0.11 2 251 35 38 LEU CD2 C 26.00 0.11 2 252 35 38 LEU N N 117.92 0.05 1 253 36 39 ASN H H 7.90 0.01 1 254 36 39 ASN HA H 4.57 0.01 1 255 36 39 ASN HB2 H 2.98 0.01 2 256 36 39 ASN HB3 H 2.75 0.01 2 257 36 39 ASN HD21 H 7.50 0.01 2 258 36 39 ASN HD22 H 6.69 0.01 2 259 36 39 ASN C C 175.61 0.01 1 260 36 39 ASN CA C 54.58 0.04 1 261 36 39 ASN CB C 38.96 0.05 1 262 36 39 ASN N N 115.67 0.02 1 263 36 39 ASN ND2 N 111.46 0.01 1 264 37 40 THR H H 7.85 0.01 1 265 37 40 THR HA H 4.31 0.01 1 266 37 40 THR HB H 4.19 0.01 1 267 37 40 THR HG2 H 1.24 0.01 1 268 37 40 THR C C 174.93 0.01 1 269 37 40 THR CA C 62.78 0.03 1 270 37 40 THR CB C 70.39 0.09 1 271 37 40 THR CG2 C 21.59 0.06 1 272 37 40 THR N N 109.86 0.02 1 273 38 41 GLY H H 8.21 0.01 1 274 38 41 GLY HA2 H 3.95 0.01 2 275 38 41 GLY HA3 H 3.95 0.01 2 276 38 41 GLY C C 173.18 0.01 1 277 38 41 GLY CA C 45.46 0.01 1 278 38 41 GLY N N 109.59 0.05 1 279 39 42 LEU H H 7.82 0.01 1 280 39 42 LEU HA H 4.39 0.01 1 281 39 42 LEU HB2 H 1.60 0.01 2 282 39 42 LEU HB3 H 1.51 0.01 2 283 39 42 LEU HG H 1.66 0.01 1 284 39 42 LEU HD1 H 0.88 0.01 2 285 39 42 LEU HD2 H 0.86 0.01 2 286 39 42 LEU C C 174.95 0.01 1 287 39 42 LEU CA C 54.51 0.04 1 288 39 42 LEU CB C 43.16 0.07 1 289 39 42 LEU CG C 27.08 0.14 1 290 39 42 LEU CD1 C 25.34 0.04 2 291 39 42 LEU CD2 C 24.63 0.07 2 292 39 42 LEU N N 120.15 0.04 1 293 40 43 ASP H H 7.80 0.01 1 294 40 43 ASP HA H 4.68 0.01 1 295 40 43 ASP HB2 H 3.00 0.01 2 296 40 43 ASP HB3 H 2.72 0.01 2 297 40 43 ASP C C 175.89 0.01 1 298 40 43 ASP CA C 52.74 0.07 1 299 40 43 ASP CB C 42.49 0.09 1 300 40 43 ASP N N 120.04 0.03 1 301 41 44 MET H H 8.74 0.01 1 302 41 44 MET HA H 4.26 0.01 1 303 41 44 MET HB2 H 2.14 0.01 2 304 41 44 MET HB3 H 2.08 0.01 2 305 41 44 MET HG2 H 2.73 0.01 2 306 41 44 MET HG3 H 2.64 0.01 2 307 41 44 MET C C 178.71 0.01 1 308 41 44 MET CA C 57.85 0.05 1 309 41 44 MET CB C 32.02 0.08 1 310 41 44 MET CG C 32.57 0.10 1 311 41 44 MET N N 119.15 0.03 1 312 42 45 GLU H H 8.60 0.01 1 313 42 45 GLU HA H 4.09 0.01 1 314 42 45 GLU HB2 H 2.13 0.01 2 315 42 45 GLU HB3 H 2.13 0.01 2 316 42 45 GLU HG2 H 2.27 0.01 2 317 42 45 GLU HG3 H 2.27 0.01 2 318 42 45 GLU C C 179.17 0.01 1 319 42 45 GLU CA C 59.95 0.05 1 320 42 45 GLU CB C 29.11 0.03 1 321 42 45 GLU CG C 36.57 0.02 1 322 42 45 GLU N N 121.59 0.02 1 323 43 46 THR H H 8.44 0.01 1 324 43 46 THR HA H 3.82 0.01 1 325 43 46 THR HB H 4.16 0.01 1 326 43 46 THR HG2 H 1.17 0.01 1 327 43 46 THR C C 176.90 0.03 1 328 43 46 THR CA C 67.36 0.12 1 329 43 46 THR CB C 67.92 0.14 1 330 43 46 THR CG2 C 22.61 0.03 1 331 43 46 THR N N 117.97 0.03 1 332 44 47 LEU H H 8.19 0.01 1 333 44 47 LEU HA H 3.97 0.01 1 334 44 47 LEU HB2 H 1.72 0.02 2 335 44 47 LEU HB3 H 1.72 0.02 2 336 44 47 LEU HD1 H 0.87 0.01 2 337 44 47 LEU HD2 H 0.87 0.01 2 338 44 47 LEU C C 178.15 0.01 1 339 44 47 LEU CA C 58.80 0.10 1 340 44 47 LEU CB C 41.59 0.07 1 341 44 47 LEU CG C 27.08 0.01 1 342 44 47 LEU CD1 C 24.77 0.10 2 343 44 47 LEU CD2 C 24.63 0.01 2 344 44 47 LEU N N 121.39 0.05 1 345 45 48 SER H H 8.24 0.01 1 346 45 48 SER HA H 4.07 0.01 1 347 45 48 SER C C 176.83 0.02 1 348 45 48 SER CA C 62.36 0.05 1 349 45 48 SER N N 114.08 0.11 1 350 46 49 ILE H H 7.82 0.01 1 351 46 49 ILE HA H 3.77 0.01 1 352 46 49 ILE HB H 2.09 0.01 1 353 46 49 ILE HG12 H 1.81 0.04 2 354 46 49 ILE HG13 H 1.18 0.01 2 355 46 49 ILE HG2 H 0.95 0.01 1 356 46 49 ILE HD1 H 0.90 0.01 1 357 46 49 ILE C C 177.71 0.01 1 358 46 49 ILE CA C 65.06 0.09 1 359 46 49 ILE CB C 38.04 0.05 1 360 46 49 ILE CG1 C 29.28 0.05 1 361 46 49 ILE CG2 C 17.44 0.03 1 362 46 49 ILE CD1 C 13.83 0.04 1 363 46 49 ILE N N 122.09 0.03 1 364 47 50 CYS H H 7.98 0.01 1 365 47 50 CYS HA H 4.02 0.01 1 366 47 50 CYS HB2 H 3.24 0.01 2 367 47 50 CYS HB3 H 2.63 0.01 2 368 47 50 CYS C C 176.64 0.01 1 369 47 50 CYS CA C 64.63 0.04 1 370 47 50 CYS CB C 26.93 0.04 1 371 47 50 CYS N N 117.78 0.03 1 372 48 51 VAL H H 8.29 0.01 1 373 48 51 VAL HA H 3.54 0.01 1 374 48 51 VAL HB H 2.19 0.01 1 375 48 51 VAL HG1 H 1.03 0.01 2 376 48 51 VAL HG2 H 0.94 0.01 2 377 48 51 VAL C C 177.57 0.01 1 378 48 51 VAL CA C 67.17 0.03 1 379 48 51 VAL CB C 31.66 0.07 1 380 48 51 VAL CG1 C 23.15 0.02 2 381 48 51 VAL CG2 C 21.61 0.03 2 382 48 51 VAL N N 118.61 0.02 1 383 49 52 ARG H H 7.78 0.01 1 384 49 52 ARG C C 179.23 0.01 1 385 49 52 ARG CA C 59.09 0.01 1 386 49 52 ARG CB C 29.98 0.04 1 387 49 52 ARG N N 119.16 0.04 1 388 50 53 LEU H H 8.18 0.01 1 389 50 53 LEU HA H 4.12 0.01 1 390 50 53 LEU HB2 H 1.98 0.01 2 391 50 53 LEU HB3 H 1.51 0.01 2 392 50 53 LEU HG H 1.91 0.01 1 393 50 53 LEU HD1 H 0.87 0.01 2 394 50 53 LEU HD2 H 0.86 0.01 2 395 50 53 LEU C C 178.94 0.02 1 396 50 53 LEU CA C 57.91 0.05 1 397 50 53 LEU CB C 41.93 0.09 1 398 50 53 LEU CG C 26.90 0.01 1 399 50 53 LEU CD1 C 25.70 0.17 2 400 50 53 LEU CD2 C 23.64 0.01 2 401 50 53 LEU N N 118.80 0.03 1 402 51 54 CYS H H 7.84 0.01 1 403 51 54 CYS HA H 4.22 0.01 1 404 51 54 CYS HB2 H 3.10 0.01 2 405 51 54 CYS HB3 H 2.77 0.01 2 406 51 54 CYS C C 176.24 0.01 1 407 51 54 CYS CA C 62.81 0.03 1 408 51 54 CYS CB C 27.44 0.05 1 409 51 54 CYS N N 115.81 0.03 1 410 52 55 GLU H H 8.07 0.01 1 411 52 55 GLU HA H 4.04 0.01 1 412 52 55 GLU HB2 H 2.19 0.01 2 413 52 55 GLU HB3 H 2.14 0.01 2 414 52 55 GLU HG2 H 2.40 0.01 2 415 52 55 GLU HG3 H 2.20 0.01 2 416 52 55 GLU C C 177.52 0.01 1 417 52 55 GLU CA C 58.85 0.05 1 418 52 55 GLU CB C 30.30 0.08 1 419 52 55 GLU CG C 36.64 0.07 1 420 52 55 GLU N N 118.51 0.03 1 421 53 56 GLN H H 7.87 0.01 1 422 53 56 GLN HA H 4.29 0.01 1 423 53 56 GLN HB2 H 2.23 0.01 2 424 53 56 GLN HB3 H 2.06 0.01 2 425 53 56 GLN HG2 H 2.44 0.01 2 426 53 56 GLN HG3 H 2.44 0.01 2 427 53 56 GLN HE21 H 7.48 0.01 2 428 53 56 GLN HE22 H 6.70 0.01 2 429 53 56 GLN C C 176.74 0.01 1 430 53 56 GLN CA C 56.40 0.04 1 431 53 56 GLN CB C 29.46 0.05 1 432 53 56 GLN CG C 34.11 0.07 1 433 53 56 GLN N N 115.35 0.03 1 434 53 56 GLN NE2 N 111.20 0.01 1 435 54 57 GLY H H 7.98 0.01 1 436 54 57 GLY HA2 H 4.00 0.01 2 437 54 57 GLY HA3 H 3.88 0.01 2 438 54 57 GLY C C 172.84 0.01 1 439 54 57 GLY CA C 45.48 0.02 1 440 54 57 GLY N N 106.61 0.05 1 441 55 58 ILE H H 7.72 0.01 1 442 55 58 ILE HA H 4.19 0.01 1 443 55 58 ILE HB H 1.83 0.01 1 444 55 58 ILE HG12 H 1.52 0.01 2 445 55 58 ILE HG13 H 1.16 0.01 2 446 55 58 ILE HG2 H 0.86 0.01 1 447 55 58 ILE HD1 H 0.83 0.01 1 448 55 58 ILE C C 174.14 0.01 1 449 55 58 ILE CA C 60.12 0.04 1 450 55 58 ILE CB C 38.86 0.04 1 451 55 58 ILE CG1 C 27.75 0.04 1 452 55 58 ILE CG2 C 17.81 0.04 1 453 55 58 ILE CD1 C 13.38 0.06 1 454 55 58 ILE N N 118.25 0.03 1 455 56 59 ASN H H 8.13 0.01 1 456 56 59 ASN HA H 4.91 0.01 1 457 56 59 ASN HB2 H 3.00 0.01 2 458 56 59 ASN HB3 H 2.93 0.01 2 459 56 59 ASN HD21 H 7.73 0.01 2 460 56 59 ASN HD22 H 7.06 0.01 2 461 56 59 ASN C C 174.25 0.01 1 462 56 59 ASN CA C 51.59 0.02 1 463 56 59 ASN CB C 38.67 0.03 1 464 56 59 ASN N N 124.19 0.02 1 465 56 59 ASN ND2 N 113.62 0.01 1 466 57 60 PRO HA H 4.18 0.01 1 467 57 60 PRO HB2 H 2.35 0.01 2 468 57 60 PRO HB3 H 2.03 0.01 2 469 57 60 PRO HG2 H 2.20 0.01 2 470 57 60 PRO HG3 H 2.02 0.01 2 471 57 60 PRO HD2 H 3.98 0.03 2 472 57 60 PRO HD3 H 3.92 0.01 2 473 57 60 PRO C C 178.46 0.01 1 474 57 60 PRO CA C 65.78 0.03 1 475 57 60 PRO CB C 32.16 0.07 1 476 57 60 PRO CG C 27.90 0.06 1 477 57 60 PRO CD C 50.94 0.05 1 478 58 61 GLU H H 8.53 0.01 1 479 58 61 GLU HA H 4.11 0.01 1 480 58 61 GLU HB2 H 2.05 0.01 2 481 58 61 GLU HB3 H 2.05 0.01 2 482 58 61 GLU HG2 H 2.30 0.01 2 483 58 61 GLU HG3 H 2.30 0.01 2 484 58 61 GLU C C 178.86 0.01 1 485 58 61 GLU CA C 59.31 0.07 1 486 58 61 GLU CB C 29.20 0.16 1 487 58 61 GLU CG C 36.66 0.05 1 488 58 61 GLU N N 118.17 0.03 1 489 59 62 ALA H H 7.95 0.01 1 490 59 62 ALA HA H 4.21 0.01 1 491 59 62 ALA HB H 1.52 0.01 1 492 59 62 ALA C C 179.62 0.01 1 493 59 62 ALA CA C 54.59 0.01 1 494 59 62 ALA CB C 18.67 0.01 1 495 59 62 ALA N N 122.89 0.04 1 496 60 63 LEU H H 7.84 0.01 1 497 60 63 LEU HA H 4.04 0.01 1 498 60 63 LEU HB2 H 1.68 0.02 2 499 60 63 LEU HB3 H 1.68 0.02 2 500 60 63 LEU HD1 H 0.89 0.01 2 501 60 63 LEU HD2 H 0.89 0.01 2 502 60 63 LEU C C 178.36 0.01 1 503 60 63 LEU CA C 57.67 0.12 1 504 60 63 LEU CB C 41.66 0.05 1 505 60 63 LEU CD1 C 24.56 0.11 2 506 60 63 LEU CD2 C 24.56 0.11 2 507 60 63 LEU N N 117.18 0.03 1 508 61 64 SER H H 8.18 0.01 1 509 61 64 SER HA H 4.09 0.01 1 510 61 64 SER C C 177.00 0.01 1 511 61 64 SER CA C 62.04 0.02 1 512 61 64 SER N N 113.77 0.03 1 513 62 65 SER H H 7.92 0.01 1 514 62 65 SER HA H 4.27 0.01 1 515 62 65 SER HB2 H 4.06 0.01 2 516 62 65 SER HB3 H 3.99 0.01 2 517 62 65 SER C C 176.23 0.04 1 518 62 65 SER CA C 62.16 0.05 1 519 62 65 SER CB C 63.01 0.19 1 520 62 65 SER N N 116.60 0.04 1 521 63 66 VAL H H 7.78 0.01 1 522 63 66 VAL HA H 3.71 0.01 1 523 63 66 VAL HB H 2.30 0.01 1 524 63 66 VAL HG1 H 1.07 0.01 2 525 63 66 VAL HG2 H 0.93 0.01 2 526 63 66 VAL C C 177.37 0.01 1 527 63 66 VAL CA C 66.46 0.03 1 528 63 66 VAL CB C 31.68 0.04 1 529 63 66 VAL CG1 C 23.01 0.03 2 530 63 66 VAL CG2 C 21.50 0.08 2 531 63 66 VAL N N 121.25 0.04 1 532 64 67 ILE H H 8.11 0.01 1 533 64 67 ILE HA H 3.62 0.01 1 534 64 67 ILE HB H 2.00 0.01 1 535 64 67 ILE HG12 H 1.70 0.01 2 536 64 67 ILE HG13 H 1.19 0.01 2 537 64 67 ILE HG2 H 0.93 0.01 1 538 64 67 ILE HD1 H 0.83 0.01 1 539 64 67 ILE C C 177.70 0.01 1 540 64 67 ILE CA C 65.17 0.06 1 541 64 67 ILE CB C 37.40 0.09 1 542 64 67 ILE CG1 C 29.35 0.06 1 543 64 67 ILE CG2 C 17.64 0.05 1 544 64 67 ILE CD1 C 12.95 0.12 1 545 64 67 ILE N N 119.44 0.03 1 546 65 68 LYS H H 7.98 0.01 1 547 65 68 LYS HA H 3.99 0.01 1 548 65 68 LYS HB2 H 1.96 0.02 2 549 65 68 LYS HB3 H 1.96 0.02 2 550 65 68 LYS HG2 H 1.61 0.01 2 551 65 68 LYS HG3 H 1.42 0.02 2 552 65 68 LYS HD2 H 1.71 0.01 2 553 65 68 LYS HD3 H 1.71 0.01 2 554 65 68 LYS HE2 H 2.96 0.01 2 555 65 68 LYS HE3 H 2.96 0.01 2 556 65 68 LYS C C 179.39 0.01 1 557 65 68 LYS CA C 60.12 0.12 1 558 65 68 LYS CB C 32.41 0.04 1 559 65 68 LYS CG C 25.38 0.08 1 560 65 68 LYS CD C 29.54 0.06 1 561 65 68 LYS CE C 42.14 0.05 1 562 65 68 LYS N N 119.47 0.02 1 563 66 69 GLU H H 7.81 0.01 1 564 66 69 GLU HA H 4.20 0.01 1 565 66 69 GLU HB2 H 2.09 0.02 2 566 66 69 GLU HB3 H 2.09 0.02 2 567 66 69 GLU HG2 H 2.48 0.01 2 568 66 69 GLU HG3 H 2.26 0.01 2 569 66 69 GLU C C 179.52 0.02 1 570 66 69 GLU CA C 58.52 0.03 1 571 66 69 GLU CB C 29.29 0.08 1 572 66 69 GLU CG C 35.63 0.08 1 573 66 69 GLU N N 118.13 0.04 1 574 67 70 LEU H H 8.41 0.01 1 575 67 70 LEU HA H 4.07 0.01 1 576 67 70 LEU HB2 H 1.89 0.01 2 577 67 70 LEU HB3 H 1.60 0.01 2 578 67 70 LEU HG H 1.83 0.01 1 579 67 70 LEU HD1 H 0.84 0.01 2 580 67 70 LEU HD2 H 0.81 0.01 2 581 67 70 LEU C C 179.16 0.01 1 582 67 70 LEU CA C 57.95 0.05 1 583 67 70 LEU CB C 41.77 0.08 1 584 67 70 LEU CG C 26.91 0.03 1 585 67 70 LEU CD1 C 25.27 0.17 2 586 67 70 LEU CD2 C 23.86 0.01 2 587 67 70 LEU N N 120.57 0.04 1 588 68 71 ARG H H 8.43 0.01 1 589 68 71 ARG HA H 4.00 0.01 1 590 68 71 ARG HB2 H 1.99 0.01 2 591 68 71 ARG HB3 H 1.92 0.01 2 592 68 71 ARG HG2 H 1.79 0.01 2 593 68 71 ARG HG3 H 1.61 0.01 2 594 68 71 ARG HD2 H 3.18 0.01 2 595 68 71 ARG HD3 H 3.18 0.01 2 596 68 71 ARG C C 178.59 0.01 1 597 68 71 ARG CA C 59.62 0.13 1 598 68 71 ARG CB C 29.89 0.12 1 599 68 71 ARG CG C 27.65 0.09 1 600 68 71 ARG CD C 43.55 0.03 1 601 68 71 ARG N N 119.94 0.03 1 602 69 72 LYS H H 7.83 0.01 1 603 69 72 LYS HA H 4.10 0.01 1 604 69 72 LYS HB2 H 1.94 0.01 2 605 69 72 LYS HB3 H 1.94 0.01 2 606 69 72 LYS HG2 H 1.62 0.01 2 607 69 72 LYS HG3 H 1.46 0.02 2 608 69 72 LYS HD2 H 1.71 0.01 2 609 69 72 LYS HD3 H 1.71 0.01 2 610 69 72 LYS HE2 H 2.94 0.01 2 611 69 72 LYS HE3 H 2.94 0.01 2 612 69 72 LYS C C 179.04 0.01 1 613 69 72 LYS CA C 59.08 0.07 1 614 69 72 LYS CB C 32.46 0.04 1 615 69 72 LYS CG C 25.16 0.09 1 616 69 72 LYS CD C 29.48 0.08 1 617 69 72 LYS CE C 42.06 0.06 1 618 69 72 LYS N N 119.04 0.03 1 619 70 73 ALA H H 8.02 0.01 1 620 70 73 ALA HA H 4.21 0.01 1 621 70 73 ALA HB H 1.52 0.01 1 622 70 73 ALA C C 178.83 0.01 1 623 70 73 ALA CA C 54.58 0.02 1 624 70 73 ALA CB C 18.60 0.05 1 625 70 73 ALA N N 121.04 0.03 1 626 71 74 THR H H 7.97 0.01 1 627 71 74 THR HA H 4.00 0.01 1 628 71 74 THR HB H 4.31 0.01 1 629 71 74 THR HG2 H 1.26 0.01 1 630 71 74 THR C C 176.57 0.01 1 631 71 74 THR CA C 65.25 0.05 1 632 71 74 THR CB C 68.98 0.05 1 633 71 74 THR CG2 C 22.08 0.04 1 634 71 74 THR N N 109.22 0.04 1 635 72 75 GLU H H 7.96 0.01 1 636 72 75 GLU HA H 4.09 0.01 1 637 72 75 GLU HB2 H 2.10 0.01 2 638 72 75 GLU HB3 H 2.10 0.01 2 639 72 75 GLU HG2 H 2.40 0.01 2 640 72 75 GLU HG3 H 2.30 0.01 2 641 72 75 GLU C C 178.23 0.01 1 642 72 75 GLU CA C 58.77 0.04 1 643 72 75 GLU CB C 29.62 0.06 1 644 72 75 GLU CG C 36.62 0.05 1 645 72 75 GLU N N 121.88 0.03 1 646 73 76 ALA H H 7.84 0.01 1 647 73 76 ALA HA H 4.25 0.01 1 648 73 76 ALA HB H 1.48 0.01 1 649 73 76 ALA C C 178.80 0.01 1 650 73 76 ALA CA C 53.92 0.07 1 651 73 76 ALA CB C 18.75 0.04 1 652 73 76 ALA N N 121.67 0.03 1 653 74 77 LEU H H 7.75 0.01 1 654 74 77 LEU HA H 4.17 0.01 1 655 74 77 LEU HB2 H 1.78 0.01 2 656 74 77 LEU HB3 H 1.63 0.01 2 657 74 77 LEU HD1 H 0.91 0.01 2 658 74 77 LEU HD2 H 0.88 0.01 2 659 74 77 LEU C C 177.65 0.01 1 660 74 77 LEU CA C 56.42 0.12 1 661 74 77 LEU CB C 41.95 0.05 1 662 74 77 LEU CG C 27.07 0.01 1 663 74 77 LEU CD1 C 25.11 0.07 2 664 74 77 LEU CD2 C 23.88 0.01 2 665 74 77 LEU N N 118.16 0.03 1 666 75 78 LYS H H 7.79 0.01 1 667 75 78 LYS HA H 4.16 0.01 1 668 75 78 LYS HB2 H 1.86 0.01 2 669 75 78 LYS HB3 H 1.86 0.01 2 670 75 78 LYS HG2 H 1.50 0.01 2 671 75 78 LYS HG3 H 1.46 0.02 2 672 75 78 LYS HD2 H 1.69 0.01 2 673 75 78 LYS HD3 H 1.69 0.01 2 674 75 78 LYS HE2 H 2.97 0.01 2 675 75 78 LYS HE3 H 2.97 0.01 2 676 75 78 LYS C C 177.19 0.01 1 677 75 78 LYS CA C 57.52 0.08 1 678 75 78 LYS CB C 32.59 0.03 1 679 75 78 LYS CG C 24.88 0.08 1 680 75 78 LYS CD C 29.27 0.08 1 681 75 78 LYS CE C 42.14 0.03 1 682 75 78 LYS N N 119.59 0.05 1 683 76 79 ALA H H 7.92 0.01 1 684 76 79 ALA HA H 4.26 0.01 1 685 76 79 ALA HB H 1.42 0.02 1 686 76 79 ALA C C 178.11 0.01 1 687 76 79 ALA CA C 53.21 0.06 1 688 76 79 ALA CB C 18.98 0.09 1 689 76 79 ALA N N 122.45 0.03 1 690 77 80 ALA H H 7.97 0.01 1 691 77 80 ALA HA H 4.26 0.02 1 692 77 80 ALA HB H 1.42 0.02 1 693 77 80 ALA C C 178.08 0.01 1 694 77 80 ALA CA C 53.19 0.11 1 695 77 80 ALA CB C 19.09 0.01 1 696 77 80 ALA N N 121.44 0.02 1 697 78 81 GLU H H 8.13 0.01 1 698 78 81 GLU HA H 4.15 0.01 1 699 78 81 GLU HB2 H 2.06 0.01 2 700 78 81 GLU HB3 H 1.99 0.01 2 701 78 81 GLU HG2 H 2.29 0.01 2 702 78 81 GLU HG3 H 2.24 0.01 2 703 78 81 GLU C C 176.60 0.01 1 704 78 81 GLU CA C 57.54 0.08 1 705 78 81 GLU CB C 30.14 0.08 1 706 78 81 GLU CG C 36.36 0.09 1 707 78 81 GLU N N 118.54 0.03 1 708 79 82 ASN H H 8.16 0.01 1 709 79 82 ASN HA H 4.70 0.01 1 710 79 82 ASN HB2 H 2.87 0.01 2 711 79 82 ASN HB3 H 2.77 0.01 2 712 79 82 ASN HD21 H 7.52 0.01 2 713 79 82 ASN HD22 H 6.84 0.01 2 714 79 82 ASN C C 175.28 0.01 1 715 79 82 ASN CA C 53.59 0.01 1 716 79 82 ASN CB C 38.97 0.04 1 717 79 82 ASN N N 117.55 0.03 1 718 79 82 ASN ND2 N 112.47 0.01 1 719 80 83 MET H H 8.11 0.01 1 720 80 83 MET HA H 4.52 0.01 1 721 80 83 MET HB2 H 2.14 0.01 2 722 80 83 MET HB3 H 2.07 0.01 2 723 80 83 MET HG2 H 2.63 0.01 2 724 80 83 MET HG3 H 2.56 0.01 2 725 80 83 MET C C 176.11 0.01 1 726 80 83 MET CA C 56.06 0.03 1 727 80 83 MET CB C 33.15 0.13 1 728 80 83 MET CG C 32.33 0.07 1 729 80 83 MET N N 119.68 0.04 1 730 81 84 THR H H 7.98 0.01 1 731 81 84 THR HA H 4.41 0.01 1 732 81 84 THR HB H 4.31 0.01 1 733 81 84 THR HG2 H 1.19 0.01 1 734 81 84 THR C C 173.66 0.01 1 735 81 84 THR CA C 61.65 0.09 1 736 81 84 THR CB C 69.99 0.07 1 737 81 84 THR CG2 C 21.56 0.08 1 738 81 84 THR N N 113.20 0.06 1 739 82 85 SER H H 7.82 0.01 1 740 82 85 SER HA H 4.27 0.01 1 741 82 85 SER HB2 H 3.84 0.01 2 742 82 85 SER HB3 H 3.84 0.01 2 743 82 85 SER C C 178.45 0.01 1 744 82 85 SER CA C 60.10 0.04 1 745 82 85 SER CB C 64.95 0.10 1 746 82 85 SER N N 123.02 0.03 1 stop_ save_