data_26760 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N NMR assignments of an unusual Ca2+-binding protein from Entamoeba histolytica in its apo form ; _BMRB_accession_number 26760 _BMRB_flat_file_name bmr26760.str _Entry_type original _Submission_date 2016-03-18 _Accession_date 2016-03-18 _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 Verma Deepshikha . . 2 Chary Kandala V.R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 625 "13C chemical shifts" 345 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-16 update BMRB 'update entry citation' 2017-03-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26571 '1H, 13C and 15N NMR assignments in Ca2+ bound form' stop_ _Original_release_date 2016-03-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (13)C and (15)N NMR assignments of an unusual Ca(2+)-binding protein from Entamoeba histolytica in its apo form. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27990612 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Verma Deepshikha . . 2 Sakuntala Mutyala . . 3 Murmu Aruna . . 4 Bhattacharya Alok . . 5 Chary Kandala V. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 11 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 63 _Page_last 67 _Year 2017 _Details . loop_ _Keyword EhCaBP6 'Entamoeba histolytica' NMR 'Resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name apo-EhCaBP6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label apo-EhCaBP6 $apo-EhCaBP6 stop_ _System_molecular_weight 18005 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'CELL CYCLE SIGNALING' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apo-EhCaBP6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apo-EhCaBP6 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'CELL CYCLE SIGNALLING' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; MSMEIEAPNANTQKIRDCFN FYDRDYDGKIDVKQLGTLIR SLGCAPTEDEVNSYIKEFAI EGETFQIEQFELIMEREQSK PDTREIKLRKAFEVFDQDKD GKIKASDLAHNLTTVGDKMT KEEVEKVFSILGITMESDID LATFLKLVALHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 MET 4 GLU 5 ILE 6 GLU 7 ALA 8 PRO 9 ASN 10 ALA 11 ASN 12 THR 13 GLN 14 LYS 15 ILE 16 ARG 17 ASP 18 CYS 19 PHE 20 ASN 21 PHE 22 TYR 23 ASP 24 ARG 25 ASP 26 TYR 27 ASP 28 GLY 29 LYS 30 ILE 31 ASP 32 VAL 33 LYS 34 GLN 35 LEU 36 GLY 37 THR 38 LEU 39 ILE 40 ARG 41 SER 42 LEU 43 GLY 44 CYS 45 ALA 46 PRO 47 THR 48 GLU 49 ASP 50 GLU 51 VAL 52 ASN 53 SER 54 TYR 55 ILE 56 LYS 57 GLU 58 PHE 59 ALA 60 ILE 61 GLU 62 GLY 63 GLU 64 THR 65 PHE 66 GLN 67 ILE 68 GLU 69 GLN 70 PHE 71 GLU 72 LEU 73 ILE 74 MET 75 GLU 76 ARG 77 GLU 78 GLN 79 SER 80 LYS 81 PRO 82 ASP 83 THR 84 ARG 85 GLU 86 ILE 87 LYS 88 LEU 89 ARG 90 LYS 91 ALA 92 PHE 93 GLU 94 VAL 95 PHE 96 ASP 97 GLN 98 ASP 99 LYS 100 ASP 101 GLY 102 LYS 103 ILE 104 LYS 105 ALA 106 SER 107 ASP 108 LEU 109 ALA 110 HIS 111 ASN 112 LEU 113 THR 114 THR 115 VAL 116 GLY 117 ASP 118 LYS 119 MET 120 THR 121 LYS 122 GLU 123 GLU 124 VAL 125 GLU 126 LYS 127 VAL 128 PHE 129 SER 130 ILE 131 LEU 132 GLY 133 ILE 134 THR 135 MET 136 GLU 137 SER 138 ASP 139 ILE 140 ASP 141 LEU 142 ALA 143 THR 144 PHE 145 LEU 146 LYS 147 LEU 148 VAL 149 ALA 150 LEU 151 HIS 152 HIS 153 HIS 154 HIS 155 HIS 156 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apo-EhCaBP6 'Entamoeba histolytica' 5759 Eukaryota . Entamoeba histolytica stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $apo-EhCaBP6 'recombinant technology' . Escherichia coli BL21 DE3 PET21C stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details apo-EhCaBP6 loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apo-EhCaBP6 1 mM '[U-100% 13C; U-100% 15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details apo-EhCaBP6 loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apo-EhCaBP6 1 mM '[U-100% 13C; U-100% 15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details PROCESSING save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 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' 0.1 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'CHEMICAL SHIFT REFERENCED WITH RESPECT TO DSS' 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 2.6 internal indirect . . . 0.25 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.1 internal indirect . . . 0.1 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' 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 apo-EhCaBP6 _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 2 2 SER H H 8.223 0.02 1 2 2 2 SER HA H 4.374 0.02 1 3 2 2 SER HB2 H 3.762 0.02 1 4 2 2 SER HB3 H 3.762 0.02 1 5 2 2 SER CA C 58.246 0.3 1 6 2 2 SER CB C 63.638 0.3 1 7 2 2 SER N N 116.526 0.3 1 8 3 3 MET H H 8.322 0.02 1 9 3 3 MET HA H 4.43 0.02 1 10 3 3 MET HB2 H 2.497 0.02 1 11 3 3 MET HB3 H 2.497 0.02 1 12 3 3 MET HG2 H 2.017 0.02 1 13 3 3 MET HG3 H 2.017 0.02 1 14 3 3 MET CA C 55.341 0.3 1 15 3 3 MET CB C 32.742 0.3 1 16 3 3 MET CG C 37.522 0.3 1 17 3 3 MET N N 122.119 0.3 1 18 4 4 GLU H H 8.293 0.02 1 19 4 4 GLU HA H 4.252 0.02 1 20 4 4 GLU HB2 H 1.9 0.02 1 21 4 4 GLU HB3 H 1.9 0.02 1 22 4 4 GLU HG2 H 2.167 0.02 1 23 4 4 GLU HG3 H 2.167 0.02 1 24 4 4 GLU CA C 56.429 0.3 1 25 4 4 GLU CB C 29.976 0.3 1 26 4 4 GLU CG C 36.12 0.3 1 27 4 4 GLU N N 121.844 0.3 1 28 5 5 ILE H H 8.054 0.02 1 29 5 5 ILE HA H 4.082 0.02 1 30 5 5 ILE HB H 1.811 0.02 1 31 5 5 ILE HG12 H 1.369 0.02 1 32 5 5 ILE HG2 H 1.088 0.02 1 33 5 5 ILE HD1 H 0.791 0.02 1 34 5 5 ILE CA C 60.923 0.3 1 35 5 5 ILE CB C 38.654 0.3 1 36 5 5 ILE CG1 C 24.731 0.3 1 37 5 5 ILE CG2 C 21.313 0.3 1 38 5 5 ILE CD1 C 13.403 0.3 1 39 5 5 ILE N N 121.525 0.3 1 40 6 6 GLU H H 8.33 0.02 1 41 6 6 GLU HA H 4.226 0.02 1 42 6 6 GLU HB2 H 1.845 0.02 1 43 6 6 GLU HB3 H 1.845 0.02 1 44 6 6 GLU HG2 H 2.192 0.02 1 45 6 6 GLU HG3 H 2.192 0.02 1 46 6 6 GLU CA C 56.137 0.3 1 47 6 6 GLU CB C 30.317 0.3 1 48 6 6 GLU CG C 36.253 0.3 1 49 6 6 GLU N N 124.962 0.3 1 50 7 7 ALA H H 8.313 0.02 1 51 7 7 ALA HA H 4.5 0.02 1 52 7 7 ALA HB H 1.293 0.02 1 53 7 7 ALA CA C 50.44 0.3 1 54 7 7 ALA CB C 17.957 0.3 1 55 7 7 ALA N N 126.787 0.3 1 56 9 9 ASN H H 8.333 0.02 1 57 9 9 ASN HA H 4.608 0.02 1 58 9 9 ASN HB2 H 2.853 0.02 1 59 9 9 ASN HB3 H 2.853 0.02 1 60 9 9 ASN CA C 52.933 0.3 1 61 9 9 ASN CB C 38.654 0.3 1 62 9 9 ASN N N 118.046 0.3 1 63 10 10 ALA H H 8.386 0.02 1 64 10 10 ALA HA H 4.14 0.02 1 65 10 10 ALA HB H 1.385 0.02 1 66 10 10 ALA CA C 54.223 0.3 1 67 10 10 ALA CB C 18.539 0.3 1 68 10 10 ALA N N 124.199 0.3 1 69 11 11 ASN H H 8.334 0.02 1 70 11 11 ASN HA H 4.506 0.02 1 71 11 11 ASN HB2 H 2.804 0.02 1 72 11 11 ASN HB3 H 2.804 0.02 1 73 11 11 ASN CA C 55.659 0.3 1 74 11 11 ASN CB C 38.559 0.3 1 75 11 11 ASN N N 117.857 0.3 1 76 12 12 THR H H 8.092 0.02 1 77 12 12 THR HA H 3.832 0.02 1 78 12 12 THR HB H 4.027 0.02 1 79 12 12 THR HG2 H 1.118 0.02 1 80 12 12 THR CA C 66.167 0.3 1 81 12 12 THR CB C 69.264 0.3 1 82 12 12 THR CG2 C 21.508 0.3 1 83 12 12 THR N N 115.721 0.3 1 84 13 13 GLN H H 8.161 0.02 1 85 13 13 GLN HA H 4.06 0.02 1 86 13 13 GLN HB2 H 2.027 0.02 1 87 13 13 GLN HB3 H 2.027 0.02 1 88 13 13 GLN HG2 H 2.291 0.02 1 89 13 13 GLN HG3 H 2.291 0.02 1 90 13 13 GLN CA C 58.593 0.3 1 91 13 13 GLN CB C 28.811 0.3 1 92 13 13 GLN CG C 36.741 0.3 1 93 13 13 GLN N N 120.783 0.3 1 94 14 14 LYS H H 7.819 0.02 1 95 14 14 LYS HA H 4.112 0.02 1 96 14 14 LYS HB2 H 1.928 0.02 1 97 14 14 LYS HB3 H 1.928 0.02 1 98 14 14 LYS HG2 H 1.432 0.02 1 99 14 14 LYS HG3 H 1.432 0.02 1 100 14 14 LYS HD2 H 0.804 0.02 1 101 14 14 LYS HD3 H 0.804 0.02 1 102 14 14 LYS HE2 H 2.916 0.02 1 103 14 14 LYS HE3 H 2.916 0.02 1 104 14 14 LYS CA C 59.369 0.3 1 105 14 14 LYS CB C 32.074 0.3 1 106 14 14 LYS CG C 25.121 0.3 1 107 14 14 LYS CD C 25.512 0.3 1 108 14 14 LYS CE C 41.623 0.3 1 109 14 14 LYS N N 118.97 0.3 1 110 15 15 ILE H H 7.817 0.02 1 111 15 15 ILE HA H 3.7 0.02 1 112 15 15 ILE HB H 1.948 0.02 1 113 15 15 ILE HD1 H 0.692 0.02 1 114 15 15 ILE CA C 65.792 0.3 1 115 15 15 ILE CB C 37.718 0.3 1 116 15 15 ILE CD1 C 14.013 0.3 1 117 15 15 ILE N N 121.101 0.3 1 118 16 16 ARG H H 8.099 0.02 1 119 16 16 ARG HA H 4.014 0.02 1 120 16 16 ARG HB2 H 1.898 0.02 1 121 16 16 ARG HB3 H 1.898 0.02 1 122 16 16 ARG HG2 H 1.518 0.02 1 123 16 16 ARG HG3 H 1.518 0.02 1 124 16 16 ARG HD2 H 3.022 0.02 1 125 16 16 ARG HD3 H 3.022 0.02 1 126 16 16 ARG CA C 60.008 0.3 1 127 16 16 ARG CB C 29.69 0.3 1 128 16 16 ARG CG C 29.125 0.3 1 129 16 16 ARG CD C 42.795 0.3 1 130 16 16 ARG N N 120.167 0.3 1 131 17 17 ASP H H 8.964 0.02 1 132 17 17 ASP HA H 4.418 0.02 1 133 17 17 ASP HB2 H 2.781 0.02 2 134 17 17 ASP HB3 H 2.646 0.02 2 135 17 17 ASP CA C 57.303 0.3 1 136 17 17 ASP CB C 39.798 0.3 1 137 17 17 ASP N N 119.552 0.3 1 138 18 18 CYS H H 7.862 0.02 1 139 18 18 CYS HA H 4.295 0.02 1 140 18 18 CYS HB2 H 3.287 0.02 1 141 18 18 CYS HB3 H 3.287 0.02 1 142 18 18 CYS CA C 61.786 0.3 1 143 18 18 CYS CB C 29.894 0.3 1 144 18 18 CYS N N 121.058 0.3 1 145 19 19 PHE H H 7.974 0.02 1 146 19 19 PHE HA H 3.994 0.02 1 147 19 19 PHE HB2 H 3.333 0.02 2 148 19 19 PHE HB3 H 2.853 0.02 2 149 19 19 PHE CA C 62.304 0.3 1 150 19 19 PHE CB C 42.112 0.3 1 151 19 19 PHE N N 118.78 0.3 1 152 20 20 ASN H H 8.681 0.02 1 153 20 20 ASN HA H 4.506 0.02 1 154 20 20 ASN HB2 H 2.879 0.02 1 155 20 20 ASN HB3 H 2.879 0.02 1 156 20 20 ASN CA C 56.063 0.3 1 157 20 20 ASN CB C 37.796 0.3 1 158 20 20 ASN N N 114.078 0.3 1 159 21 21 PHE H H 8.133 0.02 1 160 21 21 PHE HA H 4.01 0.02 1 161 21 21 PHE HB2 H 3.134 0.02 1 162 21 21 PHE HB3 H 3.134 0.02 1 163 21 21 PHE HD1 H 6.83 0.02 1 164 21 21 PHE HD2 H 6.83 0.02 1 165 21 21 PHE CA C 60.798 0.3 1 166 21 21 PHE CB C 39.097 0.3 1 167 21 21 PHE N N 121.08 0.3 1 168 22 22 TYR H H 7.341 0.02 1 169 22 22 TYR HA H 4.019 0.02 1 170 22 22 TYR HB2 H 3.101 0.02 2 171 22 22 TYR HB3 H 2.919 0.02 2 172 22 22 TYR CA C 59.728 0.3 1 173 22 22 TYR CB C 38.845 0.3 1 174 22 22 TYR N N 114.596 0.3 1 175 23 23 ASP H H 7.443 0.02 1 176 23 23 ASP HA H 4.414 0.02 1 177 23 23 ASP HB2 H 2.755 0.02 1 178 23 23 ASP HB3 H 2.755 0.02 1 179 23 23 ASP CA C 52.6 0.3 1 180 23 23 ASP CB C 40.061 0.3 1 181 23 23 ASP N N 122.941 0.3 1 182 24 24 ARG H H 6.875 0.02 1 183 24 24 ARG HA H 4.638 0.02 1 184 24 24 ARG HB2 H 1.878 0.02 2 185 24 24 ARG HB3 H 1.63 0.02 2 186 24 24 ARG CA C 58.012 0.3 1 187 24 24 ARG CB C 29.023 0.3 1 188 24 24 ARG N N 118.896 0.3 1 189 28 28 GLY H H 7.955 0.02 1 190 28 28 GLY HA2 H 4.324 0.02 2 191 28 28 GLY HA3 H 3.713 0.02 2 192 28 28 GLY CA C 45.1 0.3 1 193 28 28 GLY N N 106.111 0.3 1 194 29 29 LYS H H 7.873 0.02 1 195 29 29 LYS HA H 4.308 0.02 1 196 29 29 LYS HB2 H 1.729 0.02 1 197 29 29 LYS HB3 H 1.729 0.02 1 198 29 29 LYS CA C 60.777 0.3 1 199 29 29 LYS CB C 38.592 0.3 1 200 29 29 LYS N N 115.429 0.3 1 201 30 30 ILE H H 8.553 0.02 1 202 30 30 ILE HA H 4.049 0.02 1 203 30 30 ILE HB H 1.826 0.02 1 204 30 30 ILE HG12 H 0.821 0.02 1 205 30 30 ILE HG13 H 0.821 0.02 1 206 30 30 ILE HG2 H 1.349 0.02 1 207 30 30 ILE HD1 H 0.425 0.02 1 208 30 30 ILE CA C 56.797 0.3 1 209 30 30 ILE CB C 39.155 0.3 1 210 30 30 ILE CG1 C 25.512 0.3 1 211 30 30 ILE CG2 C 18.676 0.3 1 212 30 30 ILE N N 125.175 0.3 1 213 31 31 ASP H H 8.096 0.02 1 214 31 31 ASP HA H 4.293 0.02 1 215 31 31 ASP HB2 H 2.648 0.02 1 216 31 31 ASP HB3 H 2.648 0.02 1 217 31 31 ASP CA C 54.806 0.3 1 218 31 31 ASP CB C 42.28 0.3 1 219 31 31 ASP N N 125.491 0.3 1 220 33 33 LYS H H 9.034 0.02 1 221 33 33 LYS HA H 4.148 0.02 1 222 33 33 LYS HB2 H 1.786 0.02 1 223 33 33 LYS HB3 H 1.786 0.02 1 224 33 33 LYS HG2 H 1.516 0.02 1 225 33 33 LYS HG3 H 1.516 0.02 1 226 33 33 LYS HD2 H 0.993 0.02 1 227 33 33 LYS HD3 H 0.993 0.02 1 228 33 33 LYS HE2 H 2.596 0.02 1 229 33 33 LYS HE3 H 2.596 0.02 1 230 33 33 LYS CA C 58.759 0.3 1 231 33 33 LYS CB C 31.121 0.3 1 232 33 33 LYS CG C 29.262 0.3 1 233 33 33 LYS CD C 26.375 0.3 1 234 33 33 LYS CE C 41.172 0.3 1 235 33 33 LYS N N 121.377 0.3 1 236 34 34 GLN H H 8.317 0.02 1 237 34 34 GLN HA H 4.39 0.02 1 238 34 34 GLN HB2 H 1.862 0.02 2 239 34 34 GLN HB3 H 2.176 0.02 2 240 34 34 GLN HG2 H 2.638 0.02 1 241 34 34 GLN HG3 H 2.638 0.02 1 242 34 34 GLN CA C 55.097 0.3 1 243 34 34 GLN CB C 29.309 0.3 1 244 34 34 GLN CG C 39.445 0.3 1 245 34 34 GLN N N 115.582 0.3 1 246 35 35 LEU H H 7.747 0.02 1 247 35 35 LEU HA H 3.865 0.02 1 248 35 35 LEU HB2 H 1.766 0.02 2 249 35 35 LEU HB3 H 1.188 0.02 2 250 35 35 LEU HG H 0.841 0.02 1 251 35 35 LEU HD1 H 0.196 0.02 2 252 35 35 LEU HD2 H 0.626 0.02 2 253 35 35 LEU CA C 59.206 0.3 1 254 35 35 LEU CB C 40.95 0.3 1 255 35 35 LEU CG C 25.316 0.3 1 256 35 35 LEU CD1 C 24.438 0.3 1 257 35 35 LEU CD2 C 25.805 0.3 1 258 35 35 LEU N N 120.974 0.3 1 259 36 36 GLY H H 8.827 0.02 1 260 36 36 GLY HA2 H 3.845 0.02 2 261 36 36 GLY HA3 H 3.349 0.02 2 262 36 36 GLY CA C 47.449 0.3 1 263 36 36 GLY N N 104.013 0.3 1 264 37 37 THR H H 7.582 0.02 1 265 37 37 THR HA H 3.718 0.02 1 266 37 37 THR HB H 4.109 0.02 1 267 37 37 THR HG2 H 0.87 0.02 1 268 37 37 THR CA C 66.35 0.3 1 269 37 37 THR CB C 68.311 0.3 1 270 37 37 THR CG2 C 22.68 0.3 1 271 37 37 THR N N 118.442 0.3 1 272 38 38 LEU H H 7.658 0.02 1 273 38 38 LEU HA H 3.744 0.02 1 274 38 38 LEU HB2 H 1.689 0.02 2 275 38 38 LEU HB3 H 1.932 0.02 2 276 38 38 LEU HG H 1.202 0.02 1 277 38 38 LEU HD1 H 0.867 0.02 2 278 38 38 LEU HD2 H 0.151 0.02 2 279 38 38 LEU CA C 61.203 0.3 1 280 38 38 LEU CB C 42.373 0.3 1 281 38 38 LEU CG C 28.721 0.3 1 282 38 38 LEU CD1 C 23.852 0.3 1 283 38 38 LEU CD2 C 24.34 0.3 1 284 38 38 LEU N N 124.216 0.3 1 285 39 39 ILE H H 7.999 0.02 1 286 39 39 ILE HA H 3.845 0.02 1 287 39 39 ILE HB H 1.68 0.02 1 288 39 39 ILE HG12 H 1.085 0.02 1 289 39 39 ILE HG2 H 0.672 0.02 1 290 39 39 ILE HD1 H 0.143 0.02 1 291 39 39 ILE CA C 66.095 0.3 1 292 39 39 ILE CB C 41.533 0.3 1 293 39 39 ILE CG1 C 27.172 0.3 1 294 39 39 ILE CG2 C 21.606 0.3 1 295 39 39 ILE N N 117.082 0.3 1 296 40 40 ARG H H 8.037 0.02 1 297 40 40 ARG HA H 4.226 0.02 1 298 40 40 ARG HB2 H 1.862 0.02 1 299 40 40 ARG HB3 H 1.862 0.02 1 300 40 40 ARG HG2 H 2.06 0.02 1 301 40 40 ARG HG3 H 2.06 0.02 1 302 40 40 ARG HD2 H 2.853 0.02 1 303 40 40 ARG HD3 H 2.853 0.02 1 304 40 40 ARG CA C 57.616 0.3 1 305 40 40 ARG CB C 30.262 0.3 1 306 40 40 ARG CG C 29.172 0.3 1 307 40 40 ARG CD C 41.804 0.3 1 308 40 40 ARG N N 117.72 0.3 1 309 41 41 SER H H 8.047 0.02 1 310 41 41 SER HA H 4.159 0.02 1 311 41 41 SER HB2 H 3.845 0.02 1 312 41 41 SER HB3 H 3.845 0.02 1 313 41 41 SER CA C 61.423 0.3 1 314 41 41 SER CB C 63.459 0.3 1 315 41 41 SER N N 118.19 0.3 1 316 42 42 LEU H H 7.26 0.02 1 317 42 42 LEU HA H 4.612 0.02 1 318 42 42 LEU CA C 54.441 0.3 1 319 42 42 LEU N N 121.101 0.3 1 320 43 43 GLY H H 7.956 0.02 1 321 43 43 GLY HA2 H 4.275 0.02 2 322 43 43 GLY HA3 H 3.713 0.02 2 323 43 43 GLY CA C 45.73 0.3 1 324 43 43 GLY N N 106.77 0.3 1 325 44 44 CYS H H 6.849 0.02 1 326 44 44 CYS HA H 4.392 0.02 1 327 44 44 CYS HB2 H 3.12 0.02 1 328 44 44 CYS HB3 H 3.12 0.02 1 329 44 44 CYS CA C 58.798 0.3 1 330 44 44 CYS CB C 30.525 0.3 1 331 44 44 CYS N N 118.226 0.3 1 332 45 45 ALA H H 8.815 0.02 1 333 45 45 ALA HA H 4.892 0.02 1 334 45 45 ALA HB H 1.175 0.02 1 335 45 45 ALA CA C 50.155 0.3 1 336 45 45 ALA CB C 19.582 0.3 1 337 45 45 ALA N N 123.477 0.3 1 338 47 47 THR H H 9.225 0.02 1 339 47 47 THR HA H 4.277 0.02 1 340 47 47 THR HB H 4.735 0.02 1 341 47 47 THR HG2 H 1.264 0.02 1 342 47 47 THR CA C 60.632 0.3 1 343 47 47 THR CB C 70.722 0.3 1 344 47 47 THR CG2 C 21.801 0.3 1 345 47 47 THR N N 113.573 0.3 1 346 48 48 GLU H H 8.902 0.02 1 347 48 48 GLU HA H 4.688 0.02 1 348 48 48 GLU HB2 H 1.954 0.02 1 349 48 48 GLU HB3 H 1.954 0.02 1 350 48 48 GLU HG2 H 2.224 0.02 1 351 48 48 GLU HG3 H 2.224 0.02 1 352 48 48 GLU CA C 59.591 0.3 1 353 48 48 GLU CB C 28.832 0.3 1 354 48 48 GLU CG C 36.39 0.3 1 355 48 48 GLU N N 121.249 0.3 1 356 49 49 ASP H H 8.108 0.02 1 357 49 49 ASP HA H 4.366 0.02 1 358 49 49 ASP HB2 H 2.44 0.02 1 359 49 49 ASP HB3 H 2.44 0.02 1 360 49 49 ASP CA C 57.136 0.3 1 361 49 49 ASP CB C 40.084 0.3 1 362 49 49 ASP N N 117.11 0.3 1 363 50 50 GLU H H 7.69 0.02 1 364 50 50 GLU HA H 3.981 0.02 1 365 50 50 GLU HB2 H 1.828 0.02 1 366 50 50 GLU HB3 H 1.828 0.02 1 367 50 50 GLU HG2 H 2.275 0.02 1 368 50 50 GLU HG3 H 2.275 0.02 1 369 50 50 GLU CA C 59.134 0.3 1 370 50 50 GLU CB C 29.786 0.3 1 371 50 50 GLU N N 121.377 0.3 1 372 51 51 VAL H H 8.028 0.02 1 373 51 51 VAL HA H 3.865 0.02 1 374 51 51 VAL HB H 2.014 0.02 1 375 51 51 VAL HG1 H 0.841 0.02 1 376 51 51 VAL HG2 H 0.841 0.02 1 377 51 51 VAL CA C 67.956 0.3 1 378 51 51 VAL CB C 30.167 0.3 1 379 51 51 VAL CG1 C 23.461 0.3 1 380 51 51 VAL CG2 C 23.461 0.3 1 381 51 51 VAL N N 119.849 0.3 1 382 52 52 ASN H H 8.179 0.02 1 383 52 52 ASN HA H 4.39 0.02 1 384 52 52 ASN HB2 H 2.771 0.02 1 385 52 52 ASN HB3 H 2.771 0.02 1 386 52 52 ASN CA C 55.971 0.3 1 387 52 52 ASN CB C 38.694 0.3 1 388 52 52 ASN N N 116.887 0.3 1 389 53 53 SER H H 8.047 0.02 1 390 53 53 SER HA H 4.239 0.02 1 391 53 53 SER HB2 H 3.824 0.02 1 392 53 53 SER HB3 H 3.824 0.02 1 393 53 53 SER CA C 61.978 0.3 1 394 53 53 SER CB C 63.594 0.3 1 395 53 53 SER N N 117.526 0.3 1 396 54 54 TYR H H 8.077 0.02 1 397 54 54 TYR HA H 4.689 0.02 1 398 54 54 TYR HB2 H 3.288 0.02 2 399 54 54 TYR HB3 H 2.953 0.02 2 400 54 54 TYR HD1 H 6.912 0.02 1 401 54 54 TYR HD2 H 6.912 0.02 1 402 54 54 TYR CA C 59.527 0.3 1 403 54 54 TYR CB C 38.594 0.3 1 404 54 54 TYR N N 122.779 0.3 1 405 55 55 ILE H H 7.915 0.02 1 406 55 55 ILE HA H 4.175 0.02 1 407 55 55 ILE HB H 2.01 0.02 1 408 55 55 ILE HG12 H 1.762 0.02 1 409 55 55 ILE HG2 H 1.862 0.02 1 410 55 55 ILE HD1 H 0.853 0.02 1 411 55 55 ILE CA C 65.709 0.3 1 412 55 55 ILE CB C 38.463 0.3 1 413 55 55 ILE CG1 C 29.906 0.3 1 414 55 55 ILE CD1 C 17.171 0.3 1 415 55 55 ILE N N 119.609 0.3 1 416 56 56 LYS H H 7.391 0.02 1 417 56 56 LYS HA H 4.086 0.02 1 418 56 56 LYS HB2 H 1.874 0.02 1 419 56 56 LYS HB3 H 1.874 0.02 1 420 56 56 LYS HG2 H 1.429 0.02 1 421 56 56 LYS HG3 H 1.429 0.02 1 422 56 56 LYS CA C 58.594 0.3 1 423 56 56 LYS CB C 32.265 0.3 1 424 56 56 LYS CG C 25.023 0.3 1 425 56 56 LYS N N 117.57 0.3 1 426 58 58 PHE H H 8.15 0.02 1 427 58 58 PHE HA H 4.625 0.02 1 428 58 58 PHE HB2 H 2.721 0.02 2 429 58 58 PHE HB3 H 3.266 0.02 2 430 58 58 PHE HD1 H 7.382 0.02 1 431 58 58 PHE HD2 H 7.382 0.02 1 432 58 58 PHE CA C 58.757 0.3 1 433 58 58 PHE CB C 41.494 0.3 1 434 58 58 PHE N N 113.222 0.3 1 435 59 59 ALA H H 7.876 0.02 1 436 59 59 ALA HA H 4.708 0.02 1 437 59 59 ALA HB H 1.402 0.02 1 438 59 59 ALA CA C 52.52 0.3 1 439 59 59 ALA CB C 17.103 0.3 1 440 59 59 ALA N N 121.737 0.3 1 441 60 60 ILE H H 8.223 0.02 1 442 60 60 ILE HA H 4.242 0.02 1 443 60 60 ILE HB H 2.115 0.02 1 444 60 60 ILE HG2 H 0.869 0.02 1 445 60 60 ILE CA C 61.733 0.3 1 446 60 60 ILE CB C 36.029 0.3 1 447 60 60 ILE CG2 C 21.118 0.3 1 448 60 60 ILE N N 119.064 0.3 1 449 61 61 GLU H H 8.384 0.02 1 450 61 61 GLU HA H 4.14 0.02 1 451 61 61 GLU HB2 H 1.917 0.02 1 452 61 61 GLU HB3 H 1.917 0.02 1 453 61 61 GLU HG2 H 2.1 0.02 1 454 61 61 GLU HG3 H 2.1 0.02 1 455 61 61 GLU CA C 56.179 0.3 1 456 61 61 GLU CB C 30.317 0.3 1 457 61 61 GLU CG C 36.029 0.3 1 458 61 61 GLU N N 125.122 0.3 1 459 62 62 GLY H H 8.342 0.02 1 460 62 62 GLY HA2 H 4.027 0.02 2 461 62 62 GLY HA3 H 4.159 0.02 2 462 62 62 GLY CA C 45.223 0.3 1 463 62 62 GLY N N 109.176 0.3 1 464 63 63 GLU H H 8.381 0.02 1 465 63 63 GLU HA H 4.417 0.02 1 466 63 63 GLU HB2 H 1.911 0.02 1 467 63 63 GLU HB3 H 1.911 0.02 1 468 63 63 GLU HG2 H 2.291 0.02 1 469 63 63 GLU HG3 H 2.291 0.02 1 470 63 63 GLU CA C 53.447 0.3 1 471 63 63 GLU CB C 30.93 0.3 1 472 63 63 GLU CG C 36.643 0.3 1 473 63 63 GLU N N 117.006 0.3 1 474 64 64 THR H H 7.623 0.02 1 475 64 64 THR HA H 4.671 0.02 1 476 64 64 THR HB H 4.423 0.02 1 477 64 64 THR HG2 H 0.986 0.02 1 478 64 64 THR CA C 59.246 0.3 1 479 64 64 THR CB C 69.743 0.3 1 480 64 64 THR CG2 C 21.13 0.3 1 481 64 64 THR N N 108.274 0.3 1 482 65 65 PHE H H 8.942 0.02 1 483 65 65 PHE HA H 5.366 0.02 1 484 65 65 PHE HB2 H 2.897 0.02 2 485 65 65 PHE HB3 H 3.133 0.02 2 486 65 65 PHE CA C 55.492 0.3 1 487 65 65 PHE CB C 42.438 0.3 1 488 65 65 PHE N N 114.54 0.3 1 489 66 66 GLN H H 8.482 0.02 1 490 66 66 GLN HA H 5.299 0.02 1 491 66 66 GLN HB2 H 2.457 0.02 2 492 66 66 GLN HB3 H 2.126 0.02 2 493 66 66 GLN HG2 H 2.837 0.02 1 494 66 66 GLN HG3 H 2.837 0.02 1 495 66 66 GLN CA C 54.14 0.3 1 496 66 66 GLN CB C 32.496 0.3 1 497 66 66 GLN CG C 33.052 0.3 1 498 66 66 GLN N N 117.176 0.3 1 499 67 67 ILE H H 8.623 0.02 1 500 67 67 ILE HA H 4.704 0.02 1 501 67 67 ILE HB H 2.497 0.02 1 502 67 67 ILE HG2 H 2.167 0.02 1 503 67 67 ILE HD1 H 0.679 0.02 1 504 67 67 ILE CA C 63.771 0.3 1 505 67 67 ILE CB C 35.317 0.3 1 506 67 67 ILE N N 123.838 0.3 1 507 69 69 GLN H H 7.065 0.02 1 508 69 69 GLN HA H 3.883 0.02 1 509 69 69 GLN HB2 H 1.772 0.02 1 510 69 69 GLN HB3 H 1.772 0.02 1 511 69 69 GLN HG2 H 2.688 0.02 1 512 69 69 GLN HG3 H 2.688 0.02 1 513 69 69 GLN CA C 59.165 0.3 1 514 69 69 GLN CB C 28.273 0.3 1 515 69 69 GLN CG C 34.788 0.3 1 516 69 69 GLN N N 115.111 0.3 1 517 71 71 GLU H H 8.048 0.02 1 518 71 71 GLU HA H 3.882 0.02 1 519 71 71 GLU HB2 H 1.981 0.02 1 520 71 71 GLU HB3 H 1.981 0.02 1 521 71 71 GLU HG2 H 1.518 0.02 1 522 71 71 GLU HG3 H 1.518 0.02 1 523 71 71 GLU CA C 54.681 0.3 1 524 71 71 GLU CB C 29.533 0.3 1 525 71 71 GLU CG C 42.014 0.3 1 526 71 71 GLU N N 120.464 0.3 1 527 72 72 LEU H H 7.924 0.02 1 528 72 72 LEU HA H 4.099 0.02 1 529 72 72 LEU HB2 H 1.882 0.02 1 530 72 72 LEU HB3 H 1.882 0.02 1 531 72 72 LEU HG H 1.386 0.02 1 532 72 72 LEU HD1 H 0.857 0.02 1 533 72 72 LEU HD2 H 0.857 0.02 1 534 72 72 LEU CA C 57.386 0.3 1 535 72 72 LEU CB C 41.082 0.3 1 536 72 72 LEU CG C 26.781 0.3 1 537 72 72 LEU CD1 C 22.973 0.3 1 538 72 72 LEU CD2 C 22.973 0.3 1 539 72 72 LEU N N 120.486 0.3 1 540 73 73 ILE H H 7.489 0.02 1 541 73 73 ILE HA H 3.911 0.02 1 542 73 73 ILE HB H 1.719 0.02 1 543 73 73 ILE HG12 H 0.851 0.02 1 544 73 73 ILE HG13 H 0.851 0.02 1 545 73 73 ILE HG2 H 1.243 0.02 1 546 73 73 ILE CA C 65.126 0.3 1 547 73 73 ILE CB C 41.331 0.3 1 548 73 73 ILE CG1 C 25.707 0.3 1 549 73 73 ILE CG2 C 21.899 0.3 1 550 73 73 ILE N N 120.817 0.3 1 551 75 75 GLU H H 7.713 0.02 1 552 75 75 GLU HA H 3.865 0.02 1 553 75 75 GLU HB2 H 1.931 0.02 1 554 75 75 GLU HB3 H 1.931 0.02 1 555 75 75 GLU HG2 H 2.262 0.02 1 556 75 75 GLU HG3 H 2.262 0.02 1 557 75 75 GLU CA C 57.594 0.3 1 558 75 75 GLU CB C 29.172 0.3 1 559 75 75 GLU CG C 36.571 0.3 1 560 75 75 GLU N N 120.443 0.3 1 561 76 76 ARG H H 7.298 0.02 1 562 76 76 ARG HA H 3.881 0.02 1 563 76 76 ARG HB2 H 1.746 0.02 1 564 76 76 ARG HB3 H 1.746 0.02 1 565 76 76 ARG HG2 H 1.402 0.02 1 566 76 76 ARG HG3 H 1.402 0.02 1 567 76 76 ARG HD2 H 4.689 0.02 1 568 76 76 ARG HD3 H 4.689 0.02 1 569 76 76 ARG CA C 59.251 0.3 1 570 76 76 ARG CB C 29.808 0.3 1 571 76 76 ARG CG C 26.976 0.3 1 572 76 76 ARG N N 119.704 0.3 1 573 77 77 GLU H H 8.491 0.02 1 574 77 77 GLU HA H 3.912 0.02 1 575 77 77 GLU HB2 H 2.056 0.02 1 576 77 77 GLU HB3 H 2.056 0.02 1 577 77 77 GLU HG2 H 1.819 0.02 1 578 77 77 GLU HG3 H 1.819 0.02 1 579 77 77 GLU CA C 59.11 0.3 1 580 77 77 GLU CB C 29.172 0.3 1 581 77 77 GLU CG C 41.443 0.3 1 582 77 77 GLU N N 120.804 0.3 1 583 79 79 SER H H 7.434 0.02 1 584 79 79 SER HA H 4.473 0.02 1 585 79 79 SER HB2 H 3.895 0.02 1 586 79 79 SER HB3 H 3.895 0.02 1 587 79 79 SER CA C 58.553 0.3 1 588 79 79 SER CB C 64.019 0.3 1 589 79 79 SER N N 112.762 0.3 1 590 80 80 LYS H H 7.109 0.02 1 591 80 80 LYS HA H 4.399 0.02 1 592 80 80 LYS HB2 H 1.826 0.02 1 593 80 80 LYS HB3 H 1.826 0.02 1 594 80 80 LYS HG2 H 1.476 0.02 1 595 80 80 LYS HG3 H 1.476 0.02 1 596 80 80 LYS HD2 H 1.613 0.02 1 597 80 80 LYS HD3 H 1.613 0.02 1 598 80 80 LYS HE2 H 3.958 0.02 1 599 80 80 LYS HE3 H 3.958 0.02 1 600 80 80 LYS CA C 55.763 0.3 1 601 80 80 LYS CB C 31.68 0.3 1 602 80 80 LYS CG C 26.826 0.3 1 603 80 80 LYS CD C 29.027 0.3 1 604 80 80 LYS N N 124.034 0.3 1 605 82 82 ASP H H 8.398 0.02 1 606 82 82 ASP HA H 4.671 0.02 1 607 82 82 ASP HB2 H 2.622 0.02 1 608 82 82 ASP HB3 H 2.622 0.02 1 609 82 82 ASP CA C 54.355 0.3 1 610 82 82 ASP CB C 40.943 0.3 1 611 82 82 ASP N N 120.464 0.3 1 612 85 85 GLU H H 7.742 0.02 1 613 85 85 GLU HA H 4.688 0.02 1 614 85 85 GLU HB2 H 1.944 0.02 1 615 85 85 GLU HB3 H 1.944 0.02 1 616 85 85 GLU HG2 H 2.291 0.02 1 617 85 85 GLU HG3 H 2.291 0.02 1 618 85 85 GLU CA C 57.636 0.3 1 619 85 85 GLU CB C 29.976 0.3 1 620 85 85 GLU CG C 36.571 0.3 1 621 85 85 GLU N N 116.943 0.3 1 622 86 86 ILE H H 8.322 0.02 1 623 86 86 ILE HA H 4.047 0.02 1 624 86 86 ILE HB H 1.948 0.02 1 625 86 86 ILE HG12 H 1.783 0.02 1 626 86 86 ILE HG2 H 1.452 0.02 1 627 86 86 ILE HD1 H 0.774 0.02 1 628 86 86 ILE CA C 57.386 0.3 1 629 86 86 ILE CB C 41.324 0.3 1 630 86 86 ILE CG1 C 25.219 0.3 1 631 86 86 ILE CG2 C 17.798 0.3 1 632 86 86 ILE CD1 C 12.915 0.3 1 633 86 86 ILE N N 119.764 0.3 1 634 87 87 LYS H H 8.237 0.02 1 635 87 87 LYS HA H 4.159 0.02 1 636 87 87 LYS CA C 58.343 0.3 1 637 87 87 LYS CB C 29.976 0.3 1 638 87 87 LYS N N 121.334 0.3 1 639 88 88 LEU H H 6.924 0.02 1 640 88 88 LEU HA H 3.816 0.02 1 641 88 88 LEU HB2 H 1.65 0.02 1 642 88 88 LEU HB3 H 1.65 0.02 1 643 88 88 LEU HG H 1.898 0.02 1 644 88 88 LEU HD1 H 0.807 0.02 1 645 88 88 LEU HD2 H 0.807 0.02 1 646 88 88 LEU CA C 57.674 0.3 1 647 88 88 LEU CB C 41.896 0.3 1 648 88 88 LEU CG C 29.711 0.3 1 649 88 88 LEU CD1 C 25.512 0.3 1 650 88 88 LEU CD2 C 25.512 0.3 1 651 88 88 LEU N N 119.304 0.3 1 652 91 91 ALA H H 7.676 0.02 1 653 91 91 ALA HA H 4.074 0.02 1 654 91 91 ALA HB H 1.452 0.02 1 655 91 91 ALA CA C 54.473 0.3 1 656 91 91 ALA CB C 18.057 0.3 1 657 91 91 ALA N N 121.695 0.3 1 658 92 92 PHE H H 7.964 0.02 1 659 92 92 PHE HA H 4.048 0.02 1 660 92 92 PHE HB2 H 3.316 0.02 2 661 92 92 PHE HB3 H 2.919 0.02 2 662 92 92 PHE CA C 58.594 0.3 1 663 92 92 PHE CB C 41.721 0.3 1 664 92 92 PHE N N 118.498 0.3 1 665 97 97 GLN H H 7.955 0.02 1 666 97 97 GLN HA H 3.849 0.02 1 667 97 97 GLN HB2 H 1.518 0.02 1 668 97 97 GLN HB3 H 1.518 0.02 1 669 97 97 GLN HG2 H 2.249 0.02 1 670 97 97 GLN HG3 H 2.249 0.02 1 671 97 97 GLN CA C 59.45 0.3 1 672 97 97 GLN CB C 29.027 0.3 1 673 97 97 GLN CG C 36.3 0.3 1 674 97 97 GLN N N 122.289 0.3 1 675 101 101 GLY H H 8.317 0.02 1 676 101 101 GLY HA2 H 4.275 0.02 2 677 101 101 GLY HA3 H 3.944 0.02 2 678 101 101 GLY CA C 45.256 0.3 1 679 101 101 GLY N N 109.995 0.3 1 680 102 102 LYS H H 6.825 0.02 1 681 102 102 LYS HA H 4.655 0.02 1 682 102 102 LYS HB2 H 1.67 0.02 1 683 102 102 LYS HB3 H 1.67 0.02 1 684 102 102 LYS CA C 58.87 0.3 1 685 102 102 LYS CB C 29.371 0.3 1 686 102 102 LYS N N 117.819 0.3 1 687 104 104 LYS H H 8.992 0.02 1 688 104 104 LYS HA H 4.688 0.02 1 689 104 104 LYS CA C 60.347 0.3 1 690 104 104 LYS N N 123.462 0.3 1 691 105 105 ALA H H 8.801 0.02 1 692 105 105 ALA HA H 3.815 0.02 1 693 105 105 ALA HB H 1.283 0.02 1 694 105 105 ALA CA C 55.912 0.3 1 695 105 105 ALA CB C 19.026 0.3 1 696 105 105 ALA N N 128.2 0.3 1 697 106 106 SER H H 8.457 0.02 1 698 106 106 SER HA H 4.214 0.02 1 699 106 106 SER HB2 H 3.931 0.02 1 700 106 106 SER HB3 H 3.931 0.02 1 701 106 106 SER CA C 61.158 0.3 1 702 106 106 SER CB C 62.208 0.3 1 703 106 106 SER N N 110.63 0.3 1 704 107 107 ASP H H 6.966 0.02 1 705 107 107 ASP HA H 4.597 0.02 1 706 107 107 ASP HB2 H 2.816 0.02 1 707 107 107 ASP HB3 H 2.816 0.02 1 708 107 107 ASP CA C 57.011 0.3 1 709 107 107 ASP CB C 40.051 0.3 1 710 107 107 ASP N N 124.171 0.3 1 711 108 108 LEU H H 7.491 0.02 1 712 108 108 LEU HA H 3.781 0.02 1 713 108 108 LEU HB2 H 1.384 0.02 1 714 108 108 LEU HB3 H 1.384 0.02 1 715 108 108 LEU HG H 1.293 0.02 1 716 108 108 LEU HD1 H 0.825 0.02 1 717 108 108 LEU HD2 H 0.825 0.02 1 718 108 108 LEU CA C 57.59 0.3 1 719 108 108 LEU CB C 41.122 0.3 1 720 108 108 LEU CG C 24.48 0.3 1 721 108 108 LEU CD1 C 25.472 0.3 1 722 108 108 LEU CD2 C 25.472 0.3 1 723 108 108 LEU N N 122.224 0.3 1 724 109 109 ALA H H 9.02 0.02 1 725 109 109 ALA HA H 3.793 0.02 1 726 109 109 ALA HB H 1.398 0.02 1 727 109 109 ALA CA C 55.555 0.3 1 728 109 109 ALA CB C 18.438 0.3 1 729 109 109 ALA N N 120.21 0.3 1 730 110 110 HIS H H 7.877 0.02 1 731 110 110 HIS HA H 4.188 0.02 1 732 110 110 HIS HB2 H 3.217 0.02 1 733 110 110 HIS HB3 H 3.217 0.02 1 734 110 110 HIS CA C 59.8 0.3 1 735 110 110 HIS CB C 29.786 0.3 1 736 110 110 HIS N N 116.61 0.3 1 737 111 111 ASN H H 8.138 0.02 1 738 111 111 ASN HA H 4.047 0.02 1 739 111 111 ASN HB2 H 1.87 0.02 1 740 111 111 ASN HB3 H 1.87 0.02 1 741 111 111 ASN CA C 60.965 0.3 1 742 111 111 ASN CB C 41.172 0.3 1 743 111 111 ASN N N 118.979 0.3 1 744 112 112 LEU H H 8.561 0.02 1 745 112 112 LEU HA H 4.109 0.02 1 746 112 112 LEU HB2 H 1.961 0.02 1 747 112 112 LEU HB3 H 1.961 0.02 1 748 112 112 LEU HG H 1.481 0.02 1 749 112 112 LEU HD1 H 0.82 0.02 1 750 112 112 LEU HD2 H 0.82 0.02 1 751 112 112 LEU CA C 57.344 0.3 1 752 112 112 LEU CB C 42.373 0.3 1 753 112 112 LEU CG C 26.879 0.3 1 754 112 112 LEU CD1 C 23.071 0.3 1 755 112 112 LEU CD2 C 23.071 0.3 1 756 112 112 LEU N N 116.645 0.3 1 757 113 113 THR H H 7.504 0.02 1 758 113 113 THR HA H 4.704 0.02 1 759 113 113 THR HB H 4.192 0.02 1 760 113 113 THR HG2 H 0.985 0.02 1 761 113 113 THR CA C 61.657 0.3 1 762 113 113 THR CB C 70.79 0.3 1 763 113 113 THR CG2 C 20.949 0.3 1 764 113 113 THR N N 103.963 0.3 1 765 114 114 THR H H 7.376 0.02 1 766 114 114 THR HA H 4.481 0.02 1 767 114 114 THR HB H 4.002 0.02 1 768 114 114 THR HG2 H 0.952 0.02 1 769 114 114 THR CA C 62.947 0.3 1 770 114 114 THR CB C 71.212 0.3 1 771 114 114 THR CG2 C 21.322 0.3 1 772 114 114 THR N N 110.404 0.3 1 773 116 116 GLY H H 8.42 0.02 1 774 116 116 GLY HA2 H 4.209 0.02 2 775 116 116 GLY HA3 H 3.713 0.02 2 776 116 116 GLY CA C 46.142 0.3 1 777 116 116 GLY N N 111.332 0.3 1 778 117 117 ASP H H 8.543 0.02 1 779 117 117 ASP HA H 4.662 0.02 1 780 117 117 ASP HB2 H 2.098 0.02 1 781 117 117 ASP HB3 H 2.098 0.02 1 782 117 117 ASP CA C 53.739 0.3 1 783 117 117 ASP CB C 38.559 0.3 1 784 117 117 ASP N N 125.175 0.3 1 785 118 118 LYS H H 7.484 0.02 1 786 118 118 LYS HA H 4.787 0.02 1 787 118 118 LYS HB2 H 1.531 0.02 1 788 118 118 LYS HB3 H 1.531 0.02 1 789 118 118 LYS HG2 H 1.2 0.02 1 790 118 118 LYS HG3 H 1.2 0.02 1 791 118 118 LYS HD2 H 0.903 0.02 1 792 118 118 LYS HD3 H 0.903 0.02 1 793 118 118 LYS CA C 54.758 0.3 1 794 118 118 LYS CB C 29.027 0.3 1 795 118 118 LYS CG C 24.299 0.3 1 796 118 118 LYS CD C 25.292 0.3 1 797 118 118 LYS N N 118.794 0.3 1 798 119 119 MET H H 7.581 0.02 1 799 119 119 MET CA C 54.779 0.3 1 800 119 119 MET N N 115.212 0.3 1 801 120 120 THR H H 8.654 0.02 1 802 120 120 THR HA H 4.423 0.02 1 803 120 120 THR HB H 4.655 0.02 1 804 120 120 THR HG2 H 1.267 0.02 1 805 120 120 THR CA C 60.593 0.3 1 806 120 120 THR CB C 71.104 0.3 1 807 120 120 THR CG2 C 21.906 0.3 1 808 120 120 THR N N 111.432 0.3 1 809 121 121 LYS H H 8.843 0.02 1 810 121 121 LYS HA H 4.671 0.02 1 811 121 121 LYS HB2 H 1.786 0.02 2 812 121 121 LYS HB3 H 1.87 0.02 2 813 121 121 LYS HG2 H 1.63 0.02 1 814 121 121 LYS HG3 H 1.63 0.02 1 815 121 121 LYS HD2 H 2.209 0.02 1 816 121 121 LYS HD3 H 2.209 0.02 1 817 121 121 LYS HZ H 7.051 0.02 1 818 121 121 LYS CA C 59.966 0.3 1 819 121 121 LYS CB C 31.979 0.3 1 820 121 121 LYS CG C 28.929 0.3 1 821 121 121 LYS CD C 36.351 0.3 1 822 121 121 LYS N N 121.483 0.3 1 823 122 122 GLU H H 8.662 0.02 1 824 122 122 GLU HA H 3.911 0.02 1 825 122 122 GLU HB2 H 1.828 0.02 2 826 122 122 GLU HB3 H 2.043 0.02 2 827 122 122 GLU HG2 H 2.258 0.02 1 828 122 122 GLU HG3 H 2.258 0.02 1 829 122 122 GLU CA C 60.091 0.3 1 830 122 122 GLU CB C 28.546 0.3 1 831 122 122 GLU CG C 36.448 0.3 1 832 122 122 GLU N N 117.621 0.3 1 833 123 123 GLU H H 7.752 0.02 1 834 123 123 GLU HA H 3.896 0.02 1 835 123 123 GLU HB2 H 1.849 0.02 1 836 123 123 GLU HB3 H 1.849 0.02 1 837 123 123 GLU HG2 H 2.262 0.02 1 838 123 123 GLU HG3 H 2.262 0.02 1 839 123 123 GLU CA C 59.217 0.3 1 840 123 123 GLU CB C 29.976 0.3 1 841 123 123 GLU CG C 36.351 0.3 1 842 123 123 GLU N N 120.592 0.3 1 843 124 124 VAL H H 7.713 0.02 1 844 124 124 VAL HA H 3.069 0.02 1 845 124 124 VAL HB H 1.795 0.02 1 846 124 124 VAL HG1 H 0.721 0.02 1 847 124 124 VAL HG2 H 0.721 0.02 1 848 124 124 VAL CA C 66.811 0.3 1 849 124 124 VAL CB C 30.453 0.3 1 850 124 124 VAL CG1 C 24.535 0.3 1 851 124 124 VAL CG2 C 24.535 0.3 1 852 124 124 VAL N N 119.581 0.3 1 853 125 125 GLU H H 8.203 0.02 1 854 125 125 GLU HA H 3.591 0.02 1 855 125 125 GLU HB2 H 1.911 0.02 1 856 125 125 GLU HB3 H 1.911 0.02 1 857 125 125 GLU HG2 H 2.291 0.02 1 858 125 125 GLU HG3 H 2.291 0.02 1 859 125 125 GLU CA C 59.883 0.3 1 860 125 125 GLU CB C 29.023 0.3 1 861 125 125 GLU CG C 36.351 0.3 1 862 125 125 GLU N N 117.961 0.3 1 863 126 126 LYS H H 7.742 0.02 1 864 126 126 LYS HA H 3.997 0.02 1 865 126 126 LYS HB2 H 1.845 0.02 2 866 126 126 LYS HB3 H 1.961 0.02 2 867 126 126 LYS HG2 H 1.597 0.02 1 868 126 126 LYS HG3 H 1.597 0.02 1 869 126 126 LYS HE2 H 3.019 0.02 1 870 126 126 LYS HE3 H 3.019 0.02 1 871 126 126 LYS CA C 59.383 0.3 1 872 126 126 LYS CB C 31.788 0.3 1 873 126 126 LYS CG C 28.636 0.3 1 874 126 126 LYS CE C 41.721 0.3 1 875 126 126 LYS N N 119.831 0.3 1 876 127 127 VAL H H 7.582 0.02 1 877 127 127 VAL HA H 3.692 0.02 1 878 127 127 VAL HB H 1.944 0.02 1 879 127 127 VAL HG1 H 0.853 0.02 1 880 127 127 VAL HG2 H 0.853 0.02 1 881 127 127 VAL CA C 66.34 0.3 1 882 127 127 VAL CB C 31.025 0.3 1 883 127 127 VAL CG1 C 22.973 0.3 1 884 127 127 VAL CG2 C 22.973 0.3 1 885 127 127 VAL N N 118.831 0.3 1 886 128 128 PHE H H 8.823 0.02 1 887 128 128 PHE HA H 4.114 0.02 1 888 128 128 PHE HB2 H 3.27 0.02 1 889 128 128 PHE HB3 H 3.27 0.02 1 890 128 128 PHE HD1 H 6.847 0.02 1 891 128 128 PHE HD2 H 6.847 0.02 1 892 128 128 PHE CA C 58.842 0.3 1 893 128 128 PHE CB C 35.412 0.3 1 894 128 128 PHE N N 119.637 0.3 1 895 129 129 SER H H 8.188 0.02 1 896 129 129 SER HA H 4.303 0.02 1 897 129 129 SER HB2 H 4.043 0.02 1 898 129 129 SER HB3 H 4.043 0.02 1 899 129 129 SER CA C 61.761 0.3 1 900 129 129 SER CB C 62.494 0.3 1 901 129 129 SER N N 114.11 0.3 1 902 130 130 ILE H H 7.721 0.02 1 903 130 130 ILE HA H 3.718 0.02 1 904 130 130 ILE HB H 1.902 0.02 1 905 130 130 ILE HG12 H 1.207 0.02 1 906 130 130 ILE HG13 H 1.207 0.02 1 907 130 130 ILE HG2 H 1.08 0.02 1 908 130 130 ILE HD1 H 0.851 0.02 1 909 130 130 ILE CA C 64.946 0.3 1 910 130 130 ILE CB C 37.813 0.3 1 911 130 130 ILE CG2 C 21.215 0.3 1 912 130 130 ILE CD1 C 13.696 0.3 1 913 130 130 ILE N N 123.759 0.3 1 914 131 131 LEU H H 7.188 0.02 1 915 131 131 LEU HA H 4.353 0.02 1 916 131 131 LEU HB2 H 1.645 0.02 1 917 131 131 LEU HB3 H 1.645 0.02 1 918 131 131 LEU HG H 1.95 0.02 1 919 131 131 LEU HD1 H 0.819 0.02 1 920 131 131 LEU HD2 H 0.819 0.02 1 921 131 131 LEU CA C 54.325 0.3 1 922 131 131 LEU CB C 43.069 0.3 1 923 131 131 LEU CG C 29.125 0.3 1 924 131 131 LEU CD1 C 22.875 0.3 1 925 131 131 LEU CD2 C 22.875 0.3 1 926 131 131 LEU N N 116.77 0.3 1 927 132 132 GLY H H 7.845 0.02 1 928 132 132 GLY HA2 H 3.828 0.02 2 929 132 132 GLY HA3 H 3.928 0.02 2 930 132 132 GLY CA C 46.154 0.3 1 931 132 132 GLY N N 108.625 0.3 1 932 133 133 ILE H H 7.838 0.02 1 933 133 133 ILE HA H 4.125 0.02 1 934 133 133 ILE HB H 1.404 0.02 1 935 133 133 ILE HG12 H 0.787 0.02 1 936 133 133 ILE HG13 H 0.787 0.02 1 937 133 133 ILE HG2 H 0.976 0.02 1 938 133 133 ILE HD1 H 0.258 0.02 1 939 133 133 ILE CA C 60.008 0.3 1 940 133 133 ILE CB C 39.417 0.3 1 941 133 133 ILE CG1 C 25.902 0.3 1 942 133 133 ILE CG2 C 21.215 0.3 1 943 133 133 ILE CD1 C 17.407 0.3 1 944 133 133 ILE N N 118.137 0.3 1 945 134 134 THR H H 8.326 0.02 1 946 134 134 THR HA H 4.786 0.02 1 947 134 134 THR HB H 4.638 0.02 1 948 134 134 THR HG2 H 1.052 0.02 1 949 134 134 THR CA C 59.261 0.3 1 950 134 134 THR CB C 71.648 0.3 1 951 134 134 THR N N 114.36 0.3 1 952 135 135 MET H H 8.75 0.02 1 953 135 135 MET HA H 4.688 0.02 1 954 135 135 MET HB2 H 1.911 0.02 2 955 135 135 MET HB3 H 2.076 0.02 2 956 135 135 MET HG2 H 2.754 0.02 1 957 135 135 MET HG3 H 2.754 0.02 1 958 135 135 MET HE H 1.068 0.02 1 959 135 135 MET CA C 56.72 0.3 1 960 135 135 MET CB C 31.311 0.3 1 961 135 135 MET CG C 38.401 0.3 1 962 135 135 MET CE C 21.118 0.3 1 963 135 135 MET N N 116.964 0.3 1 964 136 136 GLU H H 7.896 0.02 1 965 136 136 GLU HA H 4.342 0.02 1 966 136 136 GLU HB2 H 2.167 0.02 1 967 136 136 GLU HB3 H 2.167 0.02 1 968 136 136 GLU HG2 H 1.729 0.02 1 969 136 136 GLU HG3 H 1.729 0.02 1 970 136 136 GLU CA C 56.179 0.3 1 971 136 136 GLU CB C 29.595 0.3 1 972 136 136 GLU CG C 32.445 0.3 1 973 136 136 GLU N N 115.166 0.3 1 974 137 137 SER H H 7.627 0.02 1 975 137 137 SER HA H 4.303 0.02 1 976 137 137 SER HB2 H 3.812 0.02 1 977 137 137 SER HB3 H 3.812 0.02 1 978 137 137 SER CA C 60.34 0.3 1 979 137 137 SER CB C 63.829 0.3 1 980 137 137 SER N N 117.998 0.3 1 981 138 138 ASP H H 8.44 0.02 1 982 138 138 ASP HA H 5.307 0.02 1 983 138 138 ASP HB2 H 2.44 0.02 2 984 138 138 ASP HB3 H 2.275 0.02 2 985 138 138 ASP CA C 53.417 0.3 1 986 138 138 ASP CB C 43.041 0.3 1 987 138 138 ASP N N 122.332 0.3 1 988 140 140 ASP H H 7.978 0.02 1 989 140 140 ASP HA H 5.015 0.02 1 990 140 140 ASP HB2 H 3.257 0.02 2 991 140 140 ASP HB3 H 2.572 0.02 2 992 140 140 ASP CA C 51.565 0.3 1 993 140 140 ASP CB C 41.903 0.3 1 994 140 140 ASP N N 123.726 0.3 1 995 141 141 LEU H H 8.536 0.02 1 996 141 141 LEU HA H 5.018 0.02 1 997 141 141 LEU HB2 H 1.465 0.02 1 998 141 141 LEU HB3 H 1.465 0.02 1 999 141 141 LEU HD1 H 0.837 0.02 1 1000 141 141 LEU HD2 H 0.837 0.02 1 1001 141 141 LEU CA C 56.625 0.3 1 1002 141 141 LEU N N 121.801 0.3 1 1003 142 142 ALA H H 8.076 0.02 1 1004 142 142 ALA HA H 3.861 0.02 1 1005 142 142 ALA HB H 1.333 0.02 1 1006 142 142 ALA CA C 55.388 0.3 1 1007 142 142 ALA CB C 17.866 0.3 1 1008 142 142 ALA N N 118.804 0.3 1 1009 143 143 THR H H 8.225 0.02 1 1010 143 143 THR HA H 4.242 0.02 1 1011 143 143 THR HB H 3.779 0.02 1 1012 143 143 THR HG2 H 1.316 0.02 1 1013 143 143 THR CA C 67.165 0.3 1 1014 143 143 THR CB C 68.086 0.3 1 1015 143 143 THR CG2 C 24.633 0.3 1 1016 143 143 THR N N 116.077 0.3 1 1017 144 144 PHE H H 8.786 0.02 1 1018 144 144 PHE HA H 3.832 0.02 1 1019 144 144 PHE HB2 H 2.998 0.02 1 1020 144 144 PHE HB3 H 2.998 0.02 1 1021 144 144 PHE HD1 H 6.896 0.02 1 1022 144 144 PHE HD2 H 6.896 0.02 1 1023 144 144 PHE CA C 61.964 0.3 1 1024 144 144 PHE CB C 39.322 0.3 1 1025 144 144 PHE N N 124.708 0.3 1 1026 145 145 LEU H H 8.643 0.02 1 1027 145 145 LEU HA H 3.812 0.02 1 1028 145 145 LEU HB2 H 1.316 0.02 1 1029 145 145 LEU HB3 H 1.316 0.02 1 1030 145 145 LEU HG H 1.848 0.02 1 1031 145 145 LEU HD1 H 0.837 0.02 1 1032 145 145 LEU HD2 H 0.837 0.02 1 1033 145 145 LEU CA C 58.093 0.3 1 1034 145 145 LEU CB C 40.752 0.3 1 1035 145 145 LEU CG C 28.991 0.3 1 1036 145 145 LEU CD1 C 22.973 0.3 1 1037 145 145 LEU CD2 C 22.973 0.3 1 1038 145 145 LEU N N 117.346 0.3 1 1039 146 146 LYS H H 7.298 0.02 1 1040 146 146 LYS HA H 3.958 0.02 1 1041 146 146 LYS HB2 H 1.944 0.02 1 1042 146 146 LYS HB3 H 1.944 0.02 1 1043 146 146 LYS HG2 H 1.366 0.02 1 1044 146 146 LYS HG3 H 1.366 0.02 1 1045 146 146 LYS HE2 H 2.886 0.02 1 1046 146 146 LYS HE3 H 2.886 0.02 1 1047 146 146 LYS CA C 59.425 0.3 1 1048 146 146 LYS CB C 32.751 0.3 1 1049 146 146 LYS CG C 25.219 0.3 1 1050 146 146 LYS CE C 41.819 0.3 1 1051 146 146 LYS N N 119.744 0.3 1 1052 147 147 LEU H H 8.22 0.02 1 1053 147 147 LEU HA H 3.895 0.02 1 1054 147 147 LEU HB2 H 1.465 0.02 1 1055 147 147 LEU HB3 H 1.465 0.02 1 1056 147 147 LEU HG H 1.853 0.02 1 1057 147 147 LEU HD1 H 0.807 0.02 1 1058 147 147 LEU HD2 H 0.807 0.02 1 1059 147 147 LEU CA C 58.426 0.3 1 1060 147 147 LEU CB C 41.443 0.3 1 1061 147 147 LEU CG C 29.082 0.3 1 1062 147 147 LEU CD1 C 22.973 0.3 1 1063 147 147 LEU CD2 C 22.973 0.3 1 1064 147 147 LEU N N 122.119 0.3 1 1065 148 148 VAL H H 8.364 0.02 1 1066 148 148 VAL HA H 3.25 0.02 1 1067 148 148 VAL HB H 1.928 0.02 1 1068 148 148 VAL HG1 H 0.754 0.02 1 1069 148 148 VAL HG2 H 0.754 0.02 1 1070 148 148 VAL CA C 67.041 0.3 1 1071 148 148 VAL CB C 30.999 0.3 1 1072 148 148 VAL CG1 C 26.293 0.3 1 1073 148 148 VAL CG2 C 26.293 0.3 1 1074 148 148 VAL N N 118.512 0.3 1 1075 149 149 ALA H H 7.225 0.02 1 1076 149 149 ALA HA H 4.163 0.02 1 1077 149 149 ALA HB H 1.48 0.02 1 1078 149 149 ALA CA C 54.847 0.3 1 1079 149 149 ALA CB C 17.76 0.3 1 1080 149 149 ALA N N 120.269 0.3 1 1081 150 150 LEU H H 7.681 0.02 1 1082 150 150 LEU HA H 4.188 0.02 1 1083 150 150 LEU HB2 H 1.481 0.02 1 1084 150 150 LEU HB3 H 1.481 0.02 1 1085 150 150 LEU HG H 1.862 0.02 1 1086 150 150 LEU HD1 H 0.869 0.02 1 1087 150 150 LEU HD2 H 0.869 0.02 1 1088 150 150 LEU CA C 57.511 0.3 1 1089 150 150 LEU CB C 42.564 0.3 1 1090 150 150 LEU CG C 28.991 0.3 1 1091 150 150 LEU CD1 C 23.754 0.3 1 1092 150 150 LEU CD2 C 23.754 0.3 1 1093 150 150 LEU N N 119.026 0.3 1 stop_ save_