data_36021 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3 ; _BMRB_accession_number 36021 _BMRB_flat_file_name bmr36021.str _Entry_type original _Submission_date 2016-09-12 _Accession_date 2016-10-28 _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 Liu X. . . 2 Zhang S. . . 3 Zhang C. X. . 4 Liu J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 586 "13C chemical shifts" 406 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-09-11 original BMRB . stop_ _Original_release_date 2016-10-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu X. . . 2 Zhang S. . . 3 Zhang C. X. . 4 Liu J. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Metabotropic GABA-B receptor subtype 1, Metabotropic GABA-B receptor subtype 3, isoform A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 6327.121 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; MDSAISKEDEERYQKLVTEN EQLQRLITQKEEKIRVLRQR LVERGDAKGTELN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASP 3 3 SER 4 4 ALA 5 5 ILE 6 6 SER 7 7 LYS 8 8 GLU 9 9 ASP 10 10 GLU 11 11 GLU 12 12 ARG 13 13 TYR 14 14 GLN 15 15 LYS 16 16 LEU 17 17 VAL 18 18 THR 19 19 GLU 20 20 ASN 21 21 GLU 22 22 GLN 23 23 LEU 24 24 GLN 25 25 ARG 26 26 LEU 27 27 ILE 28 28 THR 29 29 GLN 30 30 LYS 31 31 GLU 32 32 GLU 33 33 LYS 34 34 ILE 35 35 ARG 36 36 VAL 37 37 LEU 38 38 ARG 39 39 GLN 40 40 ARG 41 41 LEU 42 42 VAL 43 43 GLU 44 44 ARG 45 45 GLY 46 46 ASP 47 47 ALA 48 48 LYS 49 49 GLY 50 50 THR 51 51 GLU 52 52 LEU 53 53 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 5954.819 _Mol_thiol_state 'not present' _Details . _Residue_count 50 _Mol_residue_sequence ; GPLGSRRFVVDDRRELQYRV EVQNRVYKKEIQALDAEIRK LERLLESGLT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 84 GLY 2 85 PRO 3 86 LEU 4 87 GLY 5 88 SER 6 89 ARG 7 90 ARG 8 91 PHE 9 92 VAL 10 93 VAL 11 94 ASP 12 95 ASP 13 96 ARG 14 97 ARG 15 98 GLU 16 99 LEU 17 100 GLN 18 101 TYR 19 102 ARG 20 103 VAL 21 104 GLU 22 105 VAL 23 106 GLN 24 107 ASN 25 108 ARG 26 109 VAL 27 110 TYR 28 111 LYS 29 112 LYS 30 113 GLU 31 114 ILE 32 115 GLN 33 116 ALA 34 117 LEU 35 118 ASP 36 119 ALA 37 120 GLU 38 121 ILE 39 122 ARG 40 123 LYS 41 124 LEU 42 125 GLU 43 126 ARG 44 127 LEU 45 128 LEU 46 129 GLU 47 130 SER 48 131 GLY 49 132 LEU 50 133 THR 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 _Gene_mnemonic $entity_1 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 'GABA-B-R1, CG15274' $entity_2 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 'GABA-B-R3, CG3022, Dmel_CG3022' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . BL21 . $entity_2 'recombinant technology' . . . BL21 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 15N] Molecule1, 0.7 mM [U-99% 15N] Molecule2, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-99% 15N]' $entity_2 0.7 mM '[U-99% 15N]' PBS 20 mM 'natural abundance' 'sodium azide' 0.02 mg/mL 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 20 mM PBS, 100 mM sodium chloride, 0.02 mg/mL sodium azide, 0.7 mM [U-99% 13C; U-99% 15N] Molecule1, 0.7 mM [U-99% 13C; U-99% 15N] Molecule2, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-99% 13C; U-99% 15N]' $entity_2 0.7 mM '[U-99% 13C; U-99% 15N]' PBS 20 mM 'natural abundance' 'sodium azide' 0.02 mg/mL 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version 1.2.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CcpNMR _Version 2.3 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HNCO' '3D C(CO)NH' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 ASP HA H 4.690 0.006 1 2 2 2 ASP HB2 H 2.618 0.002 2 3 2 2 ASP HB3 H 2.744 0.003 2 4 2 2 ASP C C 176.058 . 1 5 2 2 ASP CA C 54.521 0.035 1 6 2 2 ASP CB C 41.485 0.074 1 7 3 3 SER H H 8.466 0.003 1 8 3 3 SER HA H 4.418 0.003 1 9 3 3 SER HB2 H 3.888 0.006 2 10 3 3 SER HB3 H 3.880 0.007 2 11 3 3 SER C C 174.219 . 1 12 3 3 SER CA C 58.414 0.08 1 13 3 3 SER CB C 63.810 0.033 1 14 3 3 SER N N 116.915 0.07 1 15 4 4 ALA H H 8.420 0.004 1 16 4 4 ALA HA H 4.324 0.005 1 17 4 4 ALA HB H 1.391 0.005 1 18 4 4 ALA C C 177.646 . 1 19 4 4 ALA CA C 52.696 0.049 1 20 4 4 ALA CB C 19.324 0.038 1 21 4 4 ALA N N 125.957 0.059 1 22 5 5 ILE H H 8.114 0.004 1 23 5 5 ILE HA H 4.227 0.005 1 24 5 5 ILE HB H 1.860 0.004 1 25 5 5 ILE HG12 H 1.490 0.003 2 26 5 5 ILE HG13 H 1.186 0.004 2 27 5 5 ILE HG2 H 0.950 0.003 1 28 5 5 ILE HD1 H 0.780 0.003 1 29 5 5 ILE C C 176.367 . 1 30 5 5 ILE CA C 60.894 0.144 1 31 5 5 ILE CB C 38.660 0.054 1 32 5 5 ILE CG1 C 27.448 0.051 1 33 5 5 ILE CG2 C 17.585 0.027 1 34 5 5 ILE CD1 C 12.791 0.021 1 35 5 5 ILE N N 120.420 0.082 1 36 6 6 SER H H 8.950 0.002 1 37 6 6 SER HA H 4.505 0.006 1 38 6 6 SER HB2 H 4.216 0.01 2 39 6 6 SER HB3 H 4.017 0.004 2 40 6 6 SER C C 175.143 . 1 41 6 6 SER CA C 57.865 0.012 1 42 6 6 SER CB C 64.747 0.043 1 43 6 6 SER N N 122.806 0.03 1 44 7 7 LYS H H 8.770 0.004 1 45 7 7 LYS HA H 4.182 0.008 1 46 7 7 LYS HB2 H 1.874 0.019 2 47 7 7 LYS HB3 H 1.887 0.011 2 48 7 7 LYS HG2 H 1.511 0.014 2 49 7 7 LYS HG3 H 1.456 0.01 2 50 7 7 LYS HD2 H 1.697 0.013 2 51 7 7 LYS HD3 H 1.703 0.016 2 52 7 7 LYS HE2 H 2.998 0.018 2 53 7 7 LYS HE3 H 2.996 0.017 2 54 7 7 LYS C C 178.667 . 1 55 7 7 LYS CA C 58.767 0.088 1 56 7 7 LYS CB C 32.326 0.05 1 57 7 7 LYS CG C 24.739 0.063 1 58 7 7 LYS CD C 29.261 0.071 1 59 7 7 LYS CE C 42.055 0.096 1 60 7 7 LYS N N 123.654 0.065 1 61 8 8 GLU H H 8.656 0.003 1 62 8 8 GLU HA H 4.117 0.013 1 63 8 8 GLU HB2 H 1.986 0.012 2 64 8 8 GLU HB3 H 2.067 0.013 2 65 8 8 GLU HG2 H 2.374 0.006 2 66 8 8 GLU HG3 H 2.305 0.017 2 67 8 8 GLU C C 178.996 . 1 68 8 8 GLU CA C 59.522 0.097 1 69 8 8 GLU CB C 29.169 0.073 1 70 8 8 GLU CG C 36.876 0.046 1 71 8 8 GLU N N 119.416 0.057 1 72 9 9 ASP H H 8.144 0.004 1 73 9 9 ASP HA H 4.502 0.007 1 74 9 9 ASP HB2 H 2.676 0.005 2 75 9 9 ASP HB3 H 2.902 0.003 2 76 9 9 ASP C C 178.832 . 1 77 9 9 ASP CA C 57.017 0.063 1 78 9 9 ASP CB C 40.471 0.036 1 79 9 9 ASP N N 121.506 0.054 1 80 10 10 GLU H H 8.329 0.004 1 81 10 10 GLU HA H 4.195 0.017 1 82 10 10 GLU HB2 H 2.161 0.003 2 83 10 10 GLU HB3 H 2.162 0.003 2 84 10 10 GLU HG2 H 2.346 0.004 2 85 10 10 GLU HG3 H 2.340 0.009 2 86 10 10 GLU C C 178.655 . 1 87 10 10 GLU CA C 59.322 0.057 1 88 10 10 GLU CB C 29.440 0.031 1 89 10 10 GLU CG C 35.789 0.01 1 90 10 10 GLU N N 122.866 0.047 1 91 11 11 GLU H H 8.335 0.004 1 92 11 11 GLU HA H 4.095 0.007 1 93 11 11 GLU HB2 H 2.087 0.018 2 94 11 11 GLU HB3 H 2.086 0.019 2 95 11 11 GLU HG2 H 2.474 0.003 2 96 11 11 GLU HG3 H 2.259 0.008 2 97 11 11 GLU C C 179.130 . 1 98 11 11 GLU CA C 59.347 0.022 1 99 11 11 GLU CB C 29.457 0.007 1 100 11 11 GLU CG C 36.726 0.08 1 101 11 11 GLU N N 119.810 0.052 1 102 12 12 ARG H H 8.064 0.014 1 103 12 12 ARG HA H 4.038 0.005 1 104 12 12 ARG HB2 H 1.984 0.002 1 105 12 12 ARG C C 178.300 . 1 106 12 12 ARG N N 120.447 0.053 1 107 13 13 TYR H H 8.103 0.012 1 108 13 13 TYR HA H 4.214 0.012 1 109 13 13 TYR HB2 H 3.254 0.007 2 110 13 13 TYR HB3 H 3.187 0.009 2 111 13 13 TYR HD1 H 7.050 0.003 3 112 13 13 TYR HD2 H 7.050 0.003 3 113 13 13 TYR HE1 H 6.685 0.002 3 114 13 13 TYR HE2 H 6.685 0.002 3 115 13 13 TYR C C 176.636 . 1 116 13 13 TYR CA C 61.613 . 1 117 13 13 TYR CB C 38.244 0.02 1 118 13 13 TYR N N 119.825 0.036 1 119 14 14 GLN H H 8.348 0.003 1 120 14 14 GLN HA H 3.798 0.005 1 121 14 14 GLN HB2 H 2.168 0.008 2 122 14 14 GLN HB3 H 2.166 0.008 2 123 14 14 GLN HG2 H 2.617 0.001 2 124 14 14 GLN HG3 H 2.618 0.003 2 125 14 14 GLN HE21 H 6.919 0.002 1 126 14 14 GLN HE22 H 7.738 0.002 1 127 14 14 GLN C C 179.249 . 1 128 14 14 GLN CA C 58.388 0.036 1 129 14 14 GLN CB C 27.798 0.019 1 130 14 14 GLN CG C 33.456 0.017 1 131 14 14 GLN N N 117.067 0.065 1 132 14 14 GLN NE2 N 112.145 0.02 1 133 15 15 LYS H H 8.069 0.007 1 134 15 15 LYS HA H 4.020 0.016 1 135 15 15 LYS HB2 H 1.953 0.007 2 136 15 15 LYS HB3 H 1.957 0.012 2 137 15 15 LYS HG2 H 1.640 0.014 2 138 15 15 LYS HG3 H 1.421 0.002 2 139 15 15 LYS HD2 H 1.678 0.009 2 140 15 15 LYS HD3 H 1.687 0.014 2 141 15 15 LYS HE2 H 2.971 0.013 2 142 15 15 LYS HE3 H 2.967 0.021 2 143 15 15 LYS C C 179.604 . 1 144 15 15 LYS CA C 59.574 0.12 1 145 15 15 LYS CB C 32.374 0.031 1 146 15 15 LYS CG C 25.527 0.09 1 147 15 15 LYS CD C 29.500 0.063 1 148 15 15 LYS CE C 42.172 0.042 1 149 15 15 LYS N N 119.672 0.059 1 150 16 16 LEU H H 7.927 0.012 1 151 16 16 LEU HA H 4.033 0.015 1 152 16 16 LEU HB2 H 1.970 0.013 2 153 16 16 LEU HB3 H 1.214 0.013 2 154 16 16 LEU HG H 1.773 0.006 1 155 16 16 LEU HD1 H 0.811 0.005 2 156 16 16 LEU HD2 H 0.887 0.005 2 157 16 16 LEU C C 178.670 . 1 158 16 16 LEU CA C 57.802 0.027 1 159 16 16 LEU CB C 42.498 0.052 1 160 16 16 LEU CG C 27.070 0.114 1 161 16 16 LEU CD1 C 23.501 0.064 2 162 16 16 LEU CD2 C 26.348 0.08 2 163 16 16 LEU N N 121.605 0.049 1 164 17 17 VAL H H 8.230 0.005 1 165 17 17 VAL HA H 3.464 0.013 1 166 17 17 VAL HB H 1.947 0.007 1 167 17 17 VAL HG1 H 0.583 0.002 2 168 17 17 VAL HG2 H 0.858 0.008 2 169 17 17 VAL C C 179.557 . 1 170 17 17 VAL CA C 66.894 0.183 1 171 17 17 VAL CB C 31.761 0.039 1 172 17 17 VAL CG1 C 22.844 0.021 2 173 17 17 VAL CG2 C 21.261 0.026 2 174 17 17 VAL N N 120.659 0.06 1 175 18 18 THR H H 7.997 0.009 1 176 18 18 THR HA H 3.986 0.015 1 177 18 18 THR HB H 4.205 0.006 1 178 18 18 THR HG2 H 1.275 0.003 1 179 18 18 THR C C 176.979 . 1 180 18 18 THR CA C 66.612 0.009 1 181 18 18 THR CB C 68.955 0.13 1 182 18 18 THR CG2 C 21.860 0.018 1 183 18 18 THR N N 116.852 0.052 1 184 19 19 GLU H H 8.371 0.003 1 185 19 19 GLU HA H 4.076 0.012 1 186 19 19 GLU HB2 H 2.121 0.011 2 187 19 19 GLU HB3 H 2.119 0.011 2 188 19 19 GLU HG2 H 2.381 0.007 2 189 19 19 GLU HG3 H 2.115 0.012 2 190 19 19 GLU C C 178.414 . 1 191 19 19 GLU CA C 59.882 0.015 1 192 19 19 GLU CB C 30.017 0.047 1 193 19 19 GLU CG C 37.161 0.105 1 194 19 19 GLU N N 123.667 0.052 1 195 20 20 ASN H H 9.027 0.005 1 196 20 20 ASN HA H 4.534 0.005 1 197 20 20 ASN HB2 H 2.943 0.008 2 198 20 20 ASN HB3 H 3.261 0.006 2 199 20 20 ASN HD21 H 6.450 0.006 1 200 20 20 ASN HD22 H 7.894 0.006 1 201 20 20 ASN C C 177.843 . 1 202 20 20 ASN CA C 56.562 0.078 1 203 20 20 ASN CB C 37.583 0.026 1 204 20 20 ASN N N 120.154 0.046 1 205 20 20 ASN ND2 N 105.901 0.0 1 206 21 21 GLU H H 7.785 0.003 1 207 21 21 GLU HA H 4.081 0.007 1 208 21 21 GLU HB2 H 2.260 0.013 2 209 21 21 GLU HB3 H 2.135 0.014 2 210 21 21 GLU HG2 H 2.265 0.005 2 211 21 21 GLU HG3 H 2.510 0.025 2 212 21 21 GLU C C 179.429 . 1 213 21 21 GLU CA C 59.661 0.051 1 214 21 21 GLU CB C 29.460 0.064 1 215 21 21 GLU CG C 36.457 0.103 1 216 21 21 GLU N N 120.010 0.05 1 217 22 22 GLN H H 7.659 0.006 1 218 22 22 GLN HA H 4.067 0.016 1 219 22 22 GLN HB2 H 2.368 0.009 2 220 22 22 GLN HB3 H 2.195 0.008 2 221 22 22 GLN HG2 H 2.453 0.006 2 222 22 22 GLN HG3 H 2.547 0.005 2 223 22 22 GLN HE21 H 6.878 0.008 1 224 22 22 GLN HE22 H 7.421 0.001 1 225 22 22 GLN C C 179.518 . 1 226 22 22 GLN CA C 58.719 0.047 1 227 22 22 GLN CB C 27.840 0.032 1 228 22 22 GLN CG C 33.425 0.025 1 229 22 22 GLN N N 119.589 0.074 1 230 22 22 GLN NE2 N 111.536 0.019 1 231 23 23 LEU H H 9.106 0.004 1 232 23 23 LEU HA H 3.984 0.013 1 233 23 23 LEU HB2 H 2.094 0.004 2 234 23 23 LEU HB3 H 1.179 0.011 2 235 23 23 LEU HG H 1.117 0.003 1 236 23 23 LEU HD1 H 0.839 0.013 2 237 23 23 LEU HD2 H 0.839 0.009 2 238 23 23 LEU C C 178.641 . 1 239 23 23 LEU CA C 57.910 0.048 1 240 23 23 LEU CB C 41.077 0.045 1 241 23 23 LEU CG C 27.875 0.051 1 242 23 23 LEU CD2 C 22.406 0.099 1 243 23 23 LEU N N 121.060 0.045 1 244 24 24 GLN H H 7.968 0.01 1 245 24 24 GLN HA H 3.508 0.006 1 246 24 24 GLN HB2 H 2.011 0.008 2 247 24 24 GLN HB3 H 2.002 0.015 2 248 24 24 GLN HG2 H 2.239 0.003 2 249 24 24 GLN HG3 H 1.970 0.007 2 250 24 24 GLN HE21 H 6.872 0.001 1 251 24 24 GLN HE22 H 7.072 0.001 1 252 24 24 GLN C C 178.738 . 1 253 24 24 GLN CA C 59.589 0.078 1 254 24 24 GLN CB C 28.887 0.092 1 255 24 24 GLN CG C 34.860 0.027 1 256 24 24 GLN N N 117.410 0.045 1 257 24 24 GLN NE2 N 111.764 0.018 1 258 25 25 ARG H H 7.325 0.004 1 259 25 25 ARG HA H 4.078 0.031 1 260 25 25 ARG HB2 H 1.970 0.012 2 261 25 25 ARG HB3 H 1.853 0.016 2 262 25 25 ARG HG2 H 1.837 0.014 2 263 25 25 ARG HG3 H 1.613 0.01 2 264 25 25 ARG HD2 H 3.168 0.019 2 265 25 25 ARG HD3 H 3.247 0.003 2 266 25 25 ARG C C 179.109 . 1 267 25 25 ARG CA C 59.398 . 1 268 25 25 ARG CB C 29.993 0.112 1 269 25 25 ARG CG C 28.071 0.164 1 270 25 25 ARG CD C 43.382 0.119 1 271 25 25 ARG N N 118.755 0.042 1 272 26 26 LEU H H 7.940 0.01 1 273 26 26 LEU HA H 4.103 0.016 1 274 26 26 LEU HB2 H 1.980 0.009 2 275 26 26 LEU HB3 H 1.439 0.009 2 276 26 26 LEU HG H 1.683 0.01 1 277 26 26 LEU HD1 H 0.916 0.011 2 278 26 26 LEU HD2 H 0.962 0.007 2 279 26 26 LEU C C 179.257 . 1 280 26 26 LEU CA C 57.765 . 1 281 26 26 LEU CB C 42.384 0.043 1 282 26 26 LEU CG C 27.212 0.19 1 283 26 26 LEU CD1 C 23.646 0.064 2 284 26 26 LEU CD2 C 24.794 0.024 2 285 26 26 LEU N N 121.632 0.047 1 286 27 27 ILE H H 8.370 0.006 1 287 27 27 ILE HA H 3.364 0.008 1 288 27 27 ILE HB H 1.811 0.006 1 289 27 27 ILE HG12 H 1.716 0.016 2 290 27 27 ILE HG13 H 0.728 0.016 2 291 27 27 ILE HG2 H 0.836 0.011 1 292 27 27 ILE HD1 H 0.757 0.005 1 293 27 27 ILE C C 177.546 . 1 294 27 27 ILE CA C 66.645 0.099 1 295 27 27 ILE CB C 37.854 0.069 1 296 27 27 ILE CG1 C 31.866 0.168 1 297 27 27 ILE CG2 C 16.611 0.03 1 298 27 27 ILE CD1 C 14.108 0.034 1 299 27 27 ILE N N 121.109 0.058 1 300 28 28 THR H H 7.789 0.003 1 301 28 28 THR HA H 4.059 0.013 1 302 28 28 THR HB H 4.235 0.007 1 303 28 28 THR HG2 H 1.304 0.006 1 304 28 28 THR C C 177.289 . 1 305 28 28 THR CA C 66.648 0.032 1 306 28 28 THR CB C 68.809 0.06 1 307 28 28 THR CG2 C 22.111 0.026 1 308 28 28 THR N N 115.276 0.031 1 309 29 29 GLN H H 7.914 0.009 1 310 29 29 GLN HA H 4.120 0.002 1 311 29 29 GLN HB2 H 2.338 0.006 2 312 29 29 GLN HB3 H 2.184 0.012 2 313 29 29 GLN HG2 H 2.367 0.01 2 314 29 29 GLN HG3 H 2.608 0.014 2 315 29 29 GLN HE21 H 7.470 0.001 1 316 29 29 GLN HE22 H 6.773 0.001 1 317 29 29 GLN C C 179.798 . 1 318 29 29 GLN CA C 59.164 0.045 1 319 29 29 GLN CB C 28.913 0.199 1 320 29 29 GLN CG C 34.130 0.103 1 321 29 29 GLN N N 120.855 0.062 1 322 29 29 GLN NE2 N 110.777 0.016 1 323 30 30 LYS H H 8.707 0.008 1 324 30 30 LYS HA H 4.033 0.008 1 325 30 30 LYS HB2 H 2.050 0.008 2 326 30 30 LYS HB3 H 1.739 0.009 2 327 30 30 LYS HG2 H 1.010 . 2 328 30 30 LYS HG3 H 1.617 . 2 329 30 30 LYS C C 178.417 . 1 330 30 30 LYS CA C 60.070 0.153 1 331 30 30 LYS CB C 34.321 0.054 1 332 30 30 LYS N N 122.708 0.035 1 333 31 31 GLU H H 8.994 0.004 1 334 31 31 GLU HA H 3.969 0.01 1 335 31 31 GLU HB2 H 2.329 0.011 2 336 31 31 GLU HB3 H 1.926 0.005 2 337 31 31 GLU HG2 H 2.665 0.006 2 338 31 31 GLU HG3 H 2.162 0.007 2 339 31 31 GLU C C 180.257 . 1 340 31 31 GLU CA C 60.270 0.07 1 341 31 31 GLU CB C 29.496 0.132 1 342 31 31 GLU CG C 37.783 0.091 1 343 31 31 GLU N N 119.628 0.039 1 344 32 32 GLU H H 7.839 0.005 1 345 32 32 GLU HA H 4.248 0.0 1 346 32 32 GLU HB2 H 2.094 0.008 1 347 32 32 GLU HG2 H 2.348 0.003 2 348 32 32 GLU HG3 H 2.346 0.006 2 349 32 32 GLU C C 177.701 . 1 350 32 32 GLU CB C 29.396 . 1 351 32 32 GLU CG C 35.392 0.031 1 352 32 32 GLU N N 120.541 0.027 1 353 33 33 LYS H H 7.862 0.019 1 354 33 33 LYS HA H 4.192 0.028 1 355 33 33 LYS HB3 H 2.075 . 1 356 33 33 LYS HG3 H 1.416 . 1 357 33 33 LYS C C 178.913 . 1 358 33 33 LYS CA C 59.315 0.073 1 359 33 33 LYS CB C 31.796 . 1 360 33 33 LYS N N 120.962 0.052 1 361 34 34 ILE H H 8.298 0.005 1 362 34 34 ILE HA H 3.466 0.014 1 363 34 34 ILE HB H 1.900 0.011 1 364 34 34 ILE HG12 H 1.867 0.014 2 365 34 34 ILE HG13 H 0.699 0.01 2 366 34 34 ILE HG2 H 0.881 0.013 1 367 34 34 ILE HD1 H 1.029 0.011 1 368 34 34 ILE C C 176.997 . 1 369 34 34 ILE CA C 66.466 0.193 1 370 34 34 ILE CB C 38.263 0.065 1 371 34 34 ILE CG1 C 32.509 0.109 1 372 34 34 ILE CG2 C 17.137 0.125 1 373 34 34 ILE CD1 C 15.506 0.053 1 374 34 34 ILE N N 119.266 0.035 1 375 35 35 ARG H H 7.801 0.011 1 376 35 35 ARG HA H 3.928 0.009 1 377 35 35 ARG HB2 H 2.045 0.005 1 378 35 35 ARG HG2 H 1.818 0.0 2 379 35 35 ARG HG3 H 1.544 0.005 2 380 35 35 ARG C C 180.022 . 1 381 35 35 ARG CB C 30.154 0.027 1 382 35 35 ARG CG C 28.018 0.034 1 383 35 35 ARG N N 119.802 0.044 1 384 36 36 VAL H H 8.070 0.006 1 385 36 36 VAL HA H 3.692 0.003 1 386 36 36 VAL HB H 2.263 0.006 1 387 36 36 VAL HG1 H 0.953 0.007 2 388 36 36 VAL HG2 H 1.094 0.005 2 389 36 36 VAL C C 179.012 . 1 390 36 36 VAL CA C 66.537 0.081 1 391 36 36 VAL CG1 C 21.130 0.043 2 392 36 36 VAL CG2 C 22.791 0.069 2 393 36 36 VAL N N 120.450 0.05 1 394 37 37 LEU H H 8.596 0.006 1 395 37 37 LEU HA H 3.939 0.011 1 396 37 37 LEU HB2 H 1.285 0.012 2 397 37 37 LEU HB3 H 2.078 0.015 2 398 37 37 LEU HG H 0.966 0.021 1 399 37 37 LEU HD1 H 0.859 0.008 2 400 37 37 LEU HD2 H 0.848 0.006 2 401 37 37 LEU C C 179.261 . 1 402 37 37 LEU CA C 58.365 0.065 1 403 37 37 LEU CB C 42.724 0.16 1 404 37 37 LEU CG C 27.872 0.04 1 405 37 37 LEU CD2 C 22.869 0.054 1 406 37 37 LEU N N 121.460 0.036 1 407 38 38 ARG H H 8.934 0.01 1 408 38 38 ARG HA H 3.931 0.016 1 409 38 38 ARG HB2 H 1.618 . 2 410 38 38 ARG HB3 H 1.966 0.003 2 411 38 38 ARG HG3 H 1.842 . 1 412 38 38 ARG HD2 H 3.123 0.004 2 413 38 38 ARG HD3 H 3.480 . 2 414 38 38 ARG C C 179.412 . 1 415 38 38 ARG CA C 60.443 0.096 1 416 38 38 ARG N N 117.231 0.041 1 417 39 39 GLN H H 7.842 0.011 1 418 39 39 GLN HA H 4.100 0.007 1 419 39 39 GLN HB2 H 2.237 0.007 2 420 39 39 GLN HB3 H 2.231 0.013 2 421 39 39 GLN HG2 H 2.450 0.016 2 422 39 39 GLN HG3 H 2.439 0.018 2 423 39 39 GLN HE21 H 6.849 0.002 1 424 39 39 GLN HE22 H 7.791 0.002 1 425 39 39 GLN C C 178.325 . 1 426 39 39 GLN CA C 58.522 . 1 427 39 39 GLN CB C 27.726 0.033 1 428 39 39 GLN CG C 33.377 0.043 1 429 39 39 GLN N N 119.586 0.042 1 430 39 39 GLN NE2 N 112.241 0.017 1 431 40 40 ARG H H 8.209 0.006 1 432 40 40 ARG HA H 4.104 0.016 1 433 40 40 ARG HB2 H 1.967 . 2 434 40 40 ARG HB3 H 2.104 0.008 2 435 40 40 ARG HG3 H 1.758 . 1 436 40 40 ARG HD2 H 3.226 0.006 2 437 40 40 ARG HD3 H 3.118 0.003 2 438 40 40 ARG CA C 58.932 . 1 439 40 40 ARG CB C 30.384 . 1 440 40 40 ARG N N 119.849 0.044 1 441 41 41 LEU H H 7.982 0.006 1 442 41 41 LEU HA H 4.028 0.006 1 443 41 41 LEU HB2 H 1.837 0.012 2 444 41 41 LEU HB3 H 1.693 0.009 2 445 41 41 LEU HG H 1.670 0.016 1 446 41 41 LEU HD1 H 0.866 0.015 2 447 41 41 LEU HD2 H 0.942 0.014 2 448 41 41 LEU C C 179.578 . 1 449 41 41 LEU CA C 58.290 . 1 450 41 41 LEU CB C 42.167 0.131 1 451 41 41 LEU CG C 27.401 0.157 1 452 41 41 LEU CD1 C 24.718 0.037 2 453 41 41 LEU CD2 C 25.948 0.013 2 454 41 41 LEU N N 120.421 0.091 1 455 42 42 VAL H H 7.967 0.006 1 456 42 42 VAL HA H 3.797 0.004 1 457 42 42 VAL HB H 2.269 0.004 1 458 42 42 VAL HG1 H 0.971 0.003 2 459 42 42 VAL HG2 H 1.086 0.007 2 460 42 42 VAL C C 179.097 . 1 461 42 42 VAL CA C 65.722 0.06 1 462 42 42 VAL CB C 31.820 0.039 1 463 42 42 VAL CG1 C 21.179 0.04 2 464 42 42 VAL CG2 C 22.632 0.048 2 465 42 42 VAL N N 120.713 0.078 1 466 43 43 GLU H H 8.106 0.008 1 467 43 43 GLU HA H 4.097 0.004 1 468 43 43 GLU HB2 H 2.122 0.009 2 469 43 43 GLU HB3 H 2.118 0.009 2 470 43 43 GLU HG2 H 2.318 0.012 2 471 43 43 GLU HG3 H 2.506 0.012 2 472 43 43 GLU C C 178.014 . 1 473 43 43 GLU CA C 58.278 0.004 1 474 43 43 GLU CB C 29.621 0.094 1 475 43 43 GLU CG C 36.645 0.065 1 476 43 43 GLU N N 120.010 0.041 1 477 44 44 ARG H H 7.770 0.004 1 478 44 44 ARG HA H 4.244 0.002 1 479 44 44 ARG HB2 H 1.956 0.011 2 480 44 44 ARG HB3 H 2.055 0.014 2 481 44 44 ARG HG2 H 1.813 0.001 2 482 44 44 ARG HG3 H 1.820 0.004 2 483 44 44 ARG HD2 H 3.229 . 2 484 44 44 ARG HD3 H 3.170 . 2 485 44 44 ARG C C 177.671 . 1 486 44 44 ARG CA C 57.528 . 1 487 44 44 ARG CB C 30.404 0.198 1 488 44 44 ARG CG C 26.868 0.033 1 489 44 44 ARG N N 118.858 0.043 1 490 45 45 GLY H H 7.918 0.004 1 491 45 45 GLY HA2 H 3.951 0.002 2 492 45 45 GLY HA3 H 4.060 0.024 2 493 45 45 GLY C C 174.238 . 1 494 45 45 GLY CA C 45.636 0.015 1 495 45 45 GLY N N 107.070 0.051 1 496 46 46 ASP H H 8.214 0.008 1 497 46 46 ASP HA H 4.610 0.01 1 498 46 46 ASP HB2 H 2.704 0.002 2 499 46 46 ASP HB3 H 2.618 0.007 2 500 46 46 ASP C C 176.291 . 1 501 46 46 ASP CA C 54.403 0.049 1 502 46 46 ASP CB C 41.282 0.039 1 503 46 46 ASP N N 120.705 0.053 1 504 47 47 ALA H H 8.208 0.003 1 505 47 47 ALA HA H 4.320 0.002 1 506 47 47 ALA HB H 1.402 0.007 1 507 47 47 ALA C C 177.965 . 1 508 47 47 ALA CA C 52.715 0.039 1 509 47 47 ALA CB C 19.209 0.071 1 510 47 47 ALA N N 123.972 0.062 1 511 48 48 LYS H H 8.369 0.005 1 512 48 48 LYS HA H 4.309 0.004 1 513 48 48 LYS HB2 H 1.876 0.017 2 514 48 48 LYS HB3 H 1.825 0.007 2 515 48 48 LYS HG2 H 1.500 0.016 2 516 48 48 LYS HG3 H 1.479 0.024 2 517 48 48 LYS HD2 H 1.700 0.009 2 518 48 48 LYS HD3 H 1.700 0.009 2 519 48 48 LYS HE2 H 3.004 0.005 2 520 48 48 LYS HE3 H 3.004 0.005 2 521 48 48 LYS C C 177.462 . 1 522 48 48 LYS CA C 56.565 0.008 1 523 48 48 LYS CB C 32.827 0.15 1 524 48 48 LYS CG C 24.753 0.069 1 525 48 48 LYS CD C 29.075 0.084 1 526 48 48 LYS CE C 42.072 0.062 1 527 48 48 LYS N N 120.228 0.068 1 528 49 49 GLY H H 8.489 0.004 1 529 49 49 GLY HA2 H 4.020 0.003 2 530 49 49 GLY HA3 H 4.019 0.003 2 531 49 49 GLY C C 174.533 . 1 532 49 49 GLY CA C 45.427 0.047 1 533 49 49 GLY N N 109.766 0.098 1 534 50 50 THR H H 8.071 0.002 1 535 50 50 THR HA H 4.323 0.004 1 536 50 50 THR HB H 4.255 0.002 1 537 50 50 THR HG2 H 1.199 0.013 1 538 50 50 THR C C 174.731 . 1 539 50 50 THR CA C 61.935 0.033 1 540 50 50 THR CB C 69.660 0.053 1 541 50 50 THR CG2 C 21.509 0.143 1 542 50 50 THR N N 113.218 0.062 1 543 51 51 GLU H H 8.552 0.002 1 544 51 51 GLU HA H 4.307 0.009 1 545 51 51 GLU HB2 H 2.073 0.007 2 546 51 51 GLU HB3 H 1.962 0.004 2 547 51 51 GLU HG2 H 2.269 0.015 2 548 51 51 GLU HG3 H 2.272 0.015 2 549 51 51 GLU C C 176.228 . 1 550 51 51 GLU CA C 56.662 0.012 1 551 51 51 GLU CB C 30.062 0.058 1 552 51 51 GLU CG C 36.385 0.052 1 553 51 51 GLU N N 123.268 0.057 1 554 52 52 LEU H H 8.293 0.005 1 555 52 52 LEU HA H 4.361 0.003 1 556 52 52 LEU HB2 H 1.616 0.016 2 557 52 52 LEU HB3 H 1.621 0.014 2 558 52 52 LEU HG H 1.622 0.019 1 559 52 52 LEU HD1 H 0.918 0.001 2 560 52 52 LEU HD2 H 0.860 0.011 2 561 52 52 LEU C C 176.259 . 1 562 52 52 LEU CA C 55.031 0.004 1 563 52 52 LEU CB C 42.383 0.058 1 564 52 52 LEU CG C 27.102 0.103 1 565 52 52 LEU CD1 C 25.087 0.007 2 566 52 52 LEU CD2 C 23.338 0.071 2 567 52 52 LEU N N 123.445 0.061 1 568 53 53 ASN H H 7.974 0.003 1 569 53 53 ASN HA H 4.450 0.002 1 570 53 53 ASN HB2 H 2.750 0.003 2 571 53 53 ASN HB3 H 2.659 0.001 2 572 53 53 ASN HD21 H 6.848 0.001 1 573 53 53 ASN HD22 H 7.526 0.001 1 574 53 53 ASN CA C 54.719 0.058 1 575 53 53 ASN CB C 40.582 0.04 1 576 53 53 ASN N N 124.753 0.043 1 577 53 53 ASN ND2 N 113.007 0.011 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HNCO' '3D C(CO)NH' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 85 2 PRO HA H 4.465 0.002 1 2 85 2 PRO HB2 H 1.946 0.003 2 3 85 2 PRO HB3 H 2.312 0.01 2 4 85 2 PRO HG2 H 2.009 0.005 1 5 85 2 PRO HD3 H 3.574 0.004 1 6 85 2 PRO C C 177.181 . 1 7 85 2 PRO CA C 63.131 . 1 8 85 2 PRO CB C 32.292 0.092 1 9 85 2 PRO CG C 27.093 0.064 1 10 85 2 PRO CD C 49.727 0.043 1 11 86 3 LEU H H 8.597 0.002 1 12 86 3 LEU HA H 4.347 0.001 1 13 86 3 LEU HB2 H 1.676 . 1 14 86 3 LEU HB3 H 1.676 . 1 15 86 3 LEU HG H 1.631 0.001 1 16 86 3 LEU HD1 H 0.923 0.009 2 17 86 3 LEU HD2 H 0.888 0.032 2 18 86 3 LEU C C 178.128 . 1 19 86 3 LEU CA C 55.473 . 1 20 86 3 LEU CB C 42.241 0.001 1 21 86 3 LEU CG C 27.083 0.013 1 22 86 3 LEU CD1 C 24.678 0.052 2 23 86 3 LEU CD2 C 23.496 0.004 2 24 86 3 LEU N N 122.563 0.054 1 25 87 4 GLY H H 8.464 0.011 1 26 87 4 GLY HA2 H 3.985 . 1 27 87 4 GLY HA3 H 3.985 . 1 28 87 4 GLY C C 176.381 . 1 29 87 4 GLY CA C 45.311 . 1 30 87 4 GLY N N 109.845 0.025 1 31 88 5 SER H H 8.206 0.017 1 32 88 5 SER HA H 4.424 0.006 1 33 88 5 SER HB2 H 3.864 0.001 1 34 88 5 SER HB3 H 3.864 0.001 1 35 88 5 SER C C 174.736 . 1 36 88 5 SER CA C 58.462 0.042 1 37 88 5 SER CB C 63.838 0.024 1 38 88 5 SER N N 116.053 0.049 1 39 89 6 ARG H H 8.386 0.004 1 40 89 6 ARG HA H 4.341 . 1 41 89 6 ARG HB2 H 1.633 . 2 42 89 6 ARG HB3 H 1.762 . 2 43 89 6 ARG CA C 56.140 . 1 44 89 6 ARG CB C 30.635 . 1 45 89 6 ARG N N 123.080 0.051 1 46 90 7 ARG H H 8.288 0.006 1 47 90 7 ARG HB2 H 1.658 . 1 48 90 7 ARG C C 175.828 . 1 49 90 7 ARG CA C 56.189 . 1 50 90 7 ARG CB C 30.710 . 1 51 90 7 ARG N N 122.067 0.089 1 52 91 8 PHE H H 8.311 0.003 1 53 91 8 PHE HA H 4.672 . 1 54 91 8 PHE HB2 H 3.127 . 2 55 91 8 PHE HB3 H 3.014 . 2 56 91 8 PHE HD1 H 7.228 . 3 57 91 8 PHE HD2 H 7.228 . 3 58 91 8 PHE C C 175.366 . 1 59 91 8 PHE CA C 57.430 . 1 60 91 8 PHE CB C 39.673 0.02 1 61 91 8 PHE N N 121.414 0.058 1 62 92 9 VAL H H 8.107 0.009 1 63 92 9 VAL HA H 4.075 0.002 1 64 92 9 VAL HB H 2.011 0.01 1 65 92 9 VAL HG1 H 0.899 0.002 2 66 92 9 VAL HG2 H 0.896 0.003 2 67 92 9 VAL C C 175.916 . 1 68 92 9 VAL CA C 62.296 0.026 1 69 92 9 VAL CB C 32.978 0.089 1 70 92 9 VAL CG2 C 20.951 0.058 1 71 92 9 VAL N N 122.566 0.06 1 72 93 10 VAL H H 8.225 0.009 1 73 93 10 VAL HA H 3.996 0.006 1 74 93 10 VAL HB H 2.035 0.004 1 75 93 10 VAL HG1 H 0.946 0.003 2 76 93 10 VAL HG2 H 0.939 0.008 2 77 93 10 VAL C C 175.773 . 1 78 93 10 VAL CA C 62.681 0.049 1 79 93 10 VAL CB C 32.614 0.062 1 80 93 10 VAL CG1 C 21.011 0.066 1 81 93 10 VAL N N 123.840 0.038 1 82 94 11 ASP H H 8.338 0.011 1 83 94 11 ASP HA H 4.565 0.028 1 84 94 11 ASP HB2 H 2.615 0.007 2 85 94 11 ASP HB3 H 2.703 0.006 2 86 94 11 ASP C C 176.054 . 1 87 94 11 ASP CA C 54.399 0.033 1 88 94 11 ASP CB C 41.260 0.03 1 89 94 11 ASP N N 123.864 0.027 1 90 95 12 ASP H H 8.263 0.013 1 91 95 12 ASP HA H 4.531 0.003 1 92 95 12 ASP HB2 H 2.813 . 2 93 95 12 ASP HB3 H 2.712 0.008 2 94 95 12 ASP C C 177.313 . 1 95 95 12 ASP CA C 54.771 0.073 1 96 95 12 ASP CB C 41.213 0.038 1 97 95 12 ASP N N 121.908 0.106 1 98 96 13 ARG H H 8.416 0.014 1 99 96 13 ARG HA H 4.058 . 1 100 96 13 ARG HB2 H 1.810 0.008 1 101 96 13 ARG C C 178.024 . 1 102 96 13 ARG CA C 58.255 . 1 103 96 13 ARG CB C 29.699 0.063 1 104 96 13 ARG N N 122.084 0.042 1 105 97 14 ARG H H 8.268 0.003 1 106 97 14 ARG HA H 4.012 0.01 1 107 97 14 ARG HB2 H 1.844 0.016 2 108 97 14 ARG HB3 H 1.853 0.004 2 109 97 14 ARG HD2 H 3.187 0.006 2 110 97 14 ARG HD3 H 3.045 . 2 111 97 14 ARG C C 178.560 . 1 112 97 14 ARG CA C 58.660 . 1 113 97 14 ARG CB C 29.620 0.044 1 114 97 14 ARG CD C 43.297 . 1 115 97 14 ARG N N 119.879 0.058 1 116 98 15 GLU H H 8.047 0.015 1 117 98 15 GLU HA H 4.195 0.012 1 118 98 15 GLU HB2 H 2.095 0.009 2 119 98 15 GLU HB3 H 2.098 0.007 2 120 98 15 GLU HG2 H 2.331 0.006 2 121 98 15 GLU HG3 H 2.335 0.006 2 122 98 15 GLU C C 178.632 . 1 123 98 15 GLU CB C 29.388 0.057 1 124 98 15 GLU CG C 36.068 0.053 1 125 98 15 GLU N N 120.479 0.033 1 126 99 16 LEU H H 7.978 0.004 1 127 99 16 LEU HA H 4.103 0.015 1 128 99 16 LEU HB2 H 1.685 0.004 2 129 99 16 LEU HB3 H 1.686 0.018 2 130 99 16 LEU HG H 1.683 0.026 1 131 99 16 LEU HD1 H 0.871 0.014 2 132 99 16 LEU HD2 H 0.857 0.014 2 133 99 16 LEU C C 179.660 . 1 134 99 16 LEU CA C 58.002 0.04 1 135 99 16 LEU CB C 41.674 0.089 1 136 99 16 LEU CG C 27.322 0.223 1 137 99 16 LEU CD1 C 24.670 0.062 2 138 99 16 LEU CD2 C 23.817 0.04 2 139 99 16 LEU N N 120.496 0.08 1 140 100 17 GLN H H 8.086 0.01 1 141 100 17 GLN HA H 4.017 0.006 1 142 100 17 GLN HB2 H 2.055 0.01 2 143 100 17 GLN HB3 H 2.309 0.004 2 144 100 17 GLN HG2 H 2.308 0.002 2 145 100 17 GLN HG3 H 2.171 0.006 2 146 100 17 GLN HE21 H 7.466 0.002 1 147 100 17 GLN HE22 H 6.437 0.002 1 148 100 17 GLN C C 177.664 . 1 149 100 17 GLN CA C 59.107 0.022 1 150 100 17 GLN CB C 27.877 0.048 1 151 100 17 GLN CG C 33.351 0.029 1 152 100 17 GLN N N 118.162 0.045 1 153 100 17 GLN NE2 N 109.356 0.032 1 154 101 18 TYR H H 7.992 0.004 1 155 101 18 TYR HA H 4.430 0.008 1 156 101 18 TYR HB2 H 3.183 0.011 2 157 101 18 TYR HB3 H 3.185 0.011 2 158 101 18 TYR HD1 H 7.164 0.001 3 159 101 18 TYR HD2 H 7.164 0.001 3 160 101 18 TYR C C 177.509 . 1 161 101 18 TYR CA C 60.573 0.091 1 162 101 18 TYR CB C 38.040 0.083 1 163 101 18 TYR N N 119.186 0.057 1 164 102 19 ARG H H 8.236 0.008 1 165 102 19 ARG HA H 3.862 0.01 1 166 102 19 ARG HB2 H 2.082 0.003 1 167 102 19 ARG HG2 H 1.951 0.009 2 168 102 19 ARG HG3 H 1.720 0.0 2 169 102 19 ARG HD2 H 3.171 0.002 1 170 102 19 ARG C C 179.005 . 1 171 102 19 ARG CA C 59.598 . 1 172 102 19 ARG CB C 30.162 0.001 1 173 102 19 ARG CG C 27.571 0.049 1 174 102 19 ARG N N 118.193 0.043 1 175 103 20 VAL H H 8.084 0.01 1 176 103 20 VAL HA H 3.848 0.004 1 177 103 20 VAL HB H 2.213 0.011 1 178 103 20 VAL HG1 H 1.001 0.005 2 179 103 20 VAL HG2 H 1.170 0.009 2 180 103 20 VAL C C 178.190 . 1 181 103 20 VAL CA C 65.891 0.1 1 182 103 20 VAL CB C 31.837 0.013 1 183 103 20 VAL CG1 C 22.394 0.051 2 184 103 20 VAL CG2 C 23.034 0.014 2 185 103 20 VAL N N 118.192 0.048 1 186 104 21 GLU H H 7.982 0.011 1 187 104 21 GLU HA H 3.952 0.007 1 188 104 21 GLU HB2 H 2.124 . 2 189 104 21 GLU HB3 H 2.239 0.008 2 190 104 21 GLU HG2 H 2.251 0.003 2 191 104 21 GLU HG3 H 2.463 0.009 2 192 104 21 GLU C C 176.547 . 1 193 104 21 GLU CA C 60.149 0.117 1 194 104 21 GLU CB C 29.346 0.023 1 195 104 21 GLU CG C 36.797 0.055 1 196 104 21 GLU N N 123.146 0.05 1 197 105 22 VAL H H 8.110 0.007 1 198 105 22 VAL HA H 3.446 0.007 1 199 105 22 VAL HB H 1.926 0.01 1 200 105 22 VAL HG1 H 0.818 0.006 2 201 105 22 VAL HG2 H 0.675 0.004 2 202 105 22 VAL C C 178.413 . 1 203 105 22 VAL CA C 66.753 0.066 1 204 105 22 VAL CB C 31.845 0.211 1 205 105 22 VAL CG1 C 21.111 0.029 2 206 105 22 VAL CG2 C 22.714 0.029 2 207 105 22 VAL N N 120.600 0.051 1 208 106 23 GLN H H 7.994 0.005 1 209 106 23 GLN HA H 3.617 0.008 1 210 106 23 GLN HB2 H 1.746 0.01 2 211 106 23 GLN HB3 H 1.988 0.009 2 212 106 23 GLN HG2 H 1.930 0.01 2 213 106 23 GLN HG3 H 2.005 0.01 2 214 106 23 GLN HE21 H 6.958 0.008 1 215 106 23 GLN HE22 H 6.103 0.001 1 216 106 23 GLN C C 176.672 . 1 217 106 23 GLN CA C 58.111 0.071 1 218 106 23 GLN CB C 28.722 0.126 1 219 106 23 GLN CG C 33.850 0.035 1 220 106 23 GLN N N 118.256 0.076 1 221 106 23 GLN NE2 N 112.473 0.026 1 222 107 24 ASN H H 8.021 0.01 1 223 107 24 ASN HA H 4.420 0.005 1 224 107 24 ASN HB2 H 2.831 0.005 2 225 107 24 ASN HB3 H 3.274 0.011 2 226 107 24 ASN C C 176.777 . 1 227 107 24 ASN CA C 58.379 0.081 1 228 107 24 ASN CB C 41.100 0.055 1 229 107 24 ASN N N 118.170 0.049 1 230 108 25 ARG H H 7.543 0.006 1 231 108 25 ARG HA H 3.977 0.011 1 232 108 25 ARG HB2 H 2.074 0.014 2 233 108 25 ARG HB3 H 1.946 0.009 2 234 108 25 ARG HG2 H 1.935 0.002 2 235 108 25 ARG HG3 H 1.680 0.009 2 236 108 25 ARG C C 179.905 . 1 237 108 25 ARG CA C 59.823 0.091 1 238 108 25 ARG CB C 30.250 0.088 1 239 108 25 ARG CG C 28.142 0.088 1 240 108 25 ARG CD C 43.530 . 1 241 108 25 ARG N N 117.197 0.029 1 242 109 26 VAL H H 8.213 0.011 1 243 109 26 VAL HA H 3.593 0.005 1 244 109 26 VAL HB H 2.011 0.007 1 245 109 26 VAL HG1 H 0.894 0.01 2 246 109 26 VAL HG2 H 0.983 0.013 2 247 109 26 VAL C C 179.597 . 1 248 109 26 VAL CA C 66.857 0.057 1 249 109 26 VAL CB C 31.718 0.052 1 250 109 26 VAL CG1 C 21.211 0.047 2 251 109 26 VAL CG2 C 22.794 0.112 2 252 109 26 VAL N N 122.250 0.052 1 253 110 27 TYR H H 8.732 0.003 1 254 110 27 TYR HA H 4.648 0.01 1 255 110 27 TYR HB2 H 2.997 0.004 2 256 110 27 TYR HB3 H 3.253 0.007 2 257 110 27 TYR HD1 H 7.010 0.007 3 258 110 27 TYR HD2 H 7.010 0.007 3 259 110 27 TYR HE1 H 6.765 0.002 3 260 110 27 TYR HE2 H 6.765 0.002 3 261 110 27 TYR C C 178.966 . 1 262 110 27 TYR CA C 58.013 0.069 1 263 110 27 TYR CB C 38.189 0.05 1 264 110 27 TYR N N 119.478 0.036 1 265 111 28 LYS H H 8.170 0.013 1 266 111 28 LYS HA H 3.983 0.01 1 267 111 28 LYS HB3 H 1.920 0.001 1 268 111 28 LYS HE3 H 3.187 . 1 269 111 28 LYS C C 179.840 . 1 270 111 28 LYS CA C 61.117 0.011 1 271 111 28 LYS CB C 32.351 0.053 1 272 111 28 LYS N N 118.188 0.041 1 273 112 29 LYS H H 7.872 0.008 1 274 112 29 LYS HA H 4.201 0.008 1 275 112 29 LYS HB2 H 2.023 0.011 2 276 112 29 LYS HB3 H 2.014 0.01 2 277 112 29 LYS HG2 H 1.632 0.009 2 278 112 29 LYS HG3 H 1.509 0.012 2 279 112 29 LYS HD2 H 1.715 0.019 2 280 112 29 LYS HD3 H 1.714 0.019 2 281 112 29 LYS HE2 H 2.985 0.019 2 282 112 29 LYS HE3 H 2.986 0.018 2 283 112 29 LYS C C 179.481 . 1 284 112 29 LYS CA C 59.213 0.029 1 285 112 29 LYS CB C 32.221 0.076 1 286 112 29 LYS CG C 25.073 0.07 1 287 112 29 LYS CD C 29.290 0.058 1 288 112 29 LYS CE C 42.062 0.055 1 289 112 29 LYS N N 121.167 0.063 1 290 113 30 GLU H H 8.539 0.006 1 291 113 30 GLU HA H 4.219 0.007 1 292 113 30 GLU HB2 H 2.185 0.013 2 293 113 30 GLU HB3 H 2.352 0.017 2 294 113 30 GLU HG2 H 2.470 0.004 2 295 113 30 GLU HG3 H 2.339 0.009 2 296 113 30 GLU C C 179.615 . 1 297 113 30 GLU CA C 59.571 . 1 298 113 30 GLU CB C 29.366 0.085 1 299 113 30 GLU CG C 35.857 0.06 1 300 113 30 GLU N N 123.121 0.035 1 301 114 31 ILE H H 8.543 0.005 1 302 114 31 ILE HA H 3.556 0.008 1 303 114 31 ILE HB H 1.967 0.009 1 304 114 31 ILE HG12 H 0.920 0.007 2 305 114 31 ILE HG13 H 1.805 0.008 2 306 114 31 ILE HG2 H 0.903 0.005 1 307 114 31 ILE HD1 H 0.929 0.006 1 308 114 31 ILE C C 176.940 . 1 309 114 31 ILE CA C 65.836 0.076 1 310 114 31 ILE CB C 37.551 0.07 1 311 114 31 ILE CG1 C 31.531 0.063 1 312 114 31 ILE CG2 C 17.529 0.03 1 313 114 31 ILE CD1 C 14.899 0.047 1 314 114 31 ILE N N 119.516 0.039 1 315 115 32 GLN H H 7.470 0.005 1 316 115 32 GLN HA H 4.225 0.01 1 317 115 32 GLN HB2 H 2.200 0.009 2 318 115 32 GLN HB3 H 2.301 0.015 2 319 115 32 GLN HG2 H 2.462 0.005 2 320 115 32 GLN HG3 H 2.624 0.006 2 321 115 32 GLN HE21 H 6.919 0.001 1 322 115 32 GLN HE22 H 7.510 0.001 1 323 115 32 GLN C C 179.468 . 1 324 115 32 GLN CA C 59.127 0.036 1 325 115 32 GLN CB C 28.578 0.115 1 326 115 32 GLN CG C 34.237 0.052 1 327 115 32 GLN N N 117.641 0.041 1 328 115 32 GLN NE2 N 112.081 0.03 1 329 116 33 ALA H H 7.774 0.009 1 330 116 33 ALA HA H 4.248 0.004 1 331 116 33 ALA HB H 1.589 0.01 1 332 116 33 ALA C C 181.355 . 1 333 116 33 ALA CA C 55.182 0.023 1 334 116 33 ALA CB C 18.002 0.058 1 335 116 33 ALA N N 123.045 0.055 1 336 117 34 LEU H H 8.771 0.011 1 337 117 34 LEU HA H 4.162 0.015 1 338 117 34 LEU HB2 H 2.009 0.021 2 339 117 34 LEU HB3 H 1.299 0.014 2 340 117 34 LEU HD1 H 1.015 0.005 2 341 117 34 LEU HD2 H 0.877 0.016 2 342 117 34 LEU C C 179.177 . 1 343 117 34 LEU CA C 58.019 0.087 1 344 117 34 LEU CB C 42.341 0.072 1 345 117 34 LEU CD1 C 28.473 0.051 2 346 117 34 LEU CD2 C 23.456 . 2 347 117 34 LEU N N 122.383 0.055 1 348 118 35 ASP H H 8.904 0.005 1 349 118 35 ASP HA H 4.575 0.006 1 350 118 35 ASP HB2 H 2.517 0.005 2 351 118 35 ASP HB3 H 2.766 0.015 2 352 118 35 ASP C C 179.511 . 1 353 118 35 ASP CA C 57.627 0.053 1 354 118 35 ASP CB C 39.642 0.043 1 355 118 35 ASP N N 119.531 0.028 1 356 119 36 ALA H H 7.798 0.008 1 357 119 36 ALA HA H 4.151 0.008 1 358 119 36 ALA HB H 1.581 0.01 1 359 119 36 ALA C C 180.361 . 1 360 119 36 ALA CA C 55.130 0.022 1 361 119 36 ALA CB C 17.871 0.12 1 362 119 36 ALA N N 122.451 0.047 1 363 120 37 GLU H H 7.828 0.015 1 364 120 37 GLU HA H 4.237 0.016 1 365 120 37 GLU HB2 H 2.177 0.01 2 366 120 37 GLU HB3 H 2.182 0.009 2 367 120 37 GLU HG2 H 2.400 0.004 2 368 120 37 GLU HG3 H 2.284 0.011 2 369 120 37 GLU C C 178.614 . 1 370 120 37 GLU CA C 59.145 . 1 371 120 37 GLU CB C 29.052 0.203 1 372 120 37 GLU CG C 34.736 0.074 1 373 120 37 GLU N N 122.436 0.059 1 374 121 38 ILE H H 8.686 0.005 1 375 121 38 ILE HA H 3.399 0.009 1 376 121 38 ILE HB H 1.961 0.016 1 377 121 38 ILE HG12 H 1.987 0.01 2 378 121 38 ILE HG13 H 0.685 0.007 2 379 121 38 ILE HG2 H 0.830 0.005 1 380 121 38 ILE HD1 H 1.013 0.004 1 381 121 38 ILE C C 177.361 . 1 382 121 38 ILE CA C 66.774 0.044 1 383 121 38 ILE CB C 38.179 0.055 1 384 121 38 ILE CG1 C 32.314 0.054 1 385 121 38 ILE CG2 C 17.329 0.03 1 386 121 38 ILE CD1 C 13.386 0.052 1 387 121 38 ILE N N 120.481 0.045 1 388 122 39 ARG H H 7.988 0.005 1 389 122 39 ARG HA H 4.137 0.005 1 390 122 39 ARG HB2 H 1.950 . 2 391 122 39 ARG HB3 H 1.862 0.009 2 392 122 39 ARG HG3 H 1.666 0.003 1 393 122 39 ARG HD2 H 3.283 . 1 394 122 39 ARG C C 179.174 . 1 395 122 39 ARG CA C 59.344 . 1 396 122 39 ARG CB C 30.264 0.036 1 397 122 39 ARG CG C 27.726 0.083 1 398 122 39 ARG CD C 43.552 . 1 399 122 39 ARG N N 117.411 0.045 1 400 123 40 LYS H H 7.753 0.01 1 401 123 40 LYS HA H 3.988 0.014 1 402 123 40 LYS HB2 H 2.022 0.021 2 403 123 40 LYS HB3 H 2.003 0.02 2 404 123 40 LYS HG2 H 1.623 0.013 2 405 123 40 LYS HG3 H 1.222 0.004 2 406 123 40 LYS HD2 H 1.715 0.011 2 407 123 40 LYS HD3 H 1.718 0.013 2 408 123 40 LYS HE2 H 2.914 0.019 2 409 123 40 LYS HE3 H 2.905 0.011 2 410 123 40 LYS C C 179.319 . 1 411 123 40 LYS CA C 59.680 0.085 1 412 123 40 LYS CB C 32.510 0.083 1 413 123 40 LYS CG C 24.755 0.058 1 414 123 40 LYS CD C 29.630 0.167 1 415 123 40 LYS CE C 41.946 0.039 1 416 123 40 LYS N N 119.908 0.043 1 417 124 41 LEU H H 8.409 0.007 1 418 124 41 LEU HA H 4.027 0.013 1 419 124 41 LEU HB2 H 2.076 0.016 2 420 124 41 LEU HB3 H 1.285 0.02 2 421 124 41 LEU HG H 0.989 0.02 1 422 124 41 LEU HD2 H 0.837 0.005 1 423 124 41 LEU C C 179.135 . 1 424 124 41 LEU CA C 58.080 . 1 425 124 41 LEU CB C 42.800 0.234 1 426 124 41 LEU CG C 28.170 0.187 1 427 124 41 LEU CD2 C 22.809 0.062 1 428 124 41 LEU N N 120.091 0.052 1 429 125 42 GLU H H 9.005 0.006 1 430 125 42 GLU HA H 3.921 0.007 1 431 125 42 GLU HB2 H 2.203 0.004 2 432 125 42 GLU HB3 H 1.924 0.025 2 433 125 42 GLU HG2 H 2.109 0.015 2 434 125 42 GLU HG3 H 2.667 0.004 2 435 125 42 GLU C C 180.136 . 1 436 125 42 GLU CA C 60.304 0.05 1 437 125 42 GLU CB C 29.524 0.066 1 438 125 42 GLU CG C 38.254 0.115 1 439 125 42 GLU N N 118.030 0.045 1 440 126 43 ARG H H 7.948 0.009 1 441 126 43 ARG HA H 4.167 0.006 1 442 126 43 ARG HB2 H 1.988 . 1 443 126 43 ARG HG2 H 1.795 0.004 2 444 126 43 ARG HG3 H 1.707 0.002 2 445 126 43 ARG HD2 H 3.236 . 1 446 126 43 ARG C C 179.741 . 1 447 126 43 ARG CA C 59.012 0.015 1 448 126 43 ARG CB C 29.695 . 1 449 126 43 ARG CG C 27.443 0.007 1 450 126 43 ARG N N 118.906 0.045 1 451 127 44 LEU H H 7.874 0.021 1 452 127 44 LEU HA H 4.107 0.026 1 453 127 44 LEU HB2 H 2.068 0.004 2 454 127 44 LEU HB3 H 1.529 0.011 2 455 127 44 LEU HG H 1.855 0.006 1 456 127 44 LEU HD1 H 0.902 0.007 2 457 127 44 LEU HD2 H 0.913 0.006 2 458 127 44 LEU C C 180.082 . 1 459 127 44 LEU CB C 42.311 0.097 1 460 127 44 LEU CG C 26.872 0.018 1 461 127 44 LEU CD1 C 23.106 0.096 2 462 127 44 LEU CD2 C 25.469 0.099 2 463 127 44 LEU N N 120.964 0.051 1 464 128 45 LEU H H 8.058 0.012 1 465 128 45 LEU HA H 4.063 0.023 1 466 128 45 LEU HB2 H 1.847 0.009 2 467 128 45 LEU HB3 H 1.596 0.016 2 468 128 45 LEU HG H 1.647 0.012 1 469 128 45 LEU HD1 H 0.935 0.011 2 470 128 45 LEU HD2 H 0.819 0.014 2 471 128 45 LEU C C 178.398 . 1 472 128 45 LEU CA C 56.850 0.009 1 473 128 45 LEU CB C 42.390 0.099 1 474 128 45 LEU CG C 27.617 0.044 1 475 128 45 LEU CD1 C 26.253 0.049 2 476 128 45 LEU CD2 C 23.566 0.038 2 477 128 45 LEU N N 119.663 0.045 1 478 129 46 GLU H H 7.845 0.003 1 479 129 46 GLU HA H 4.219 0.005 1 480 129 46 GLU HB2 H 2.117 0.021 2 481 129 46 GLU HB3 H 2.122 0.015 2 482 129 46 GLU HG2 H 2.315 0.013 2 483 129 46 GLU HG3 H 2.409 0.007 2 484 129 46 GLU C C 177.389 . 1 485 129 46 GLU CA C 57.550 0.014 1 486 129 46 GLU CB C 29.924 0.122 1 487 129 46 GLU CG C 36.192 0.008 1 488 129 46 GLU N N 119.174 0.072 1 489 130 47 SER H H 8.043 0.005 1 490 130 47 SER HA H 4.464 0.002 1 491 130 47 SER HB2 H 3.965 0.005 2 492 130 47 SER HB3 H 3.967 0.004 2 493 130 47 SER C C 175.178 . 1 494 130 47 SER CA C 59.246 0.107 1 495 130 47 SER CB C 64.085 0.025 1 496 130 47 SER N N 114.606 0.047 1 497 131 48 GLY H H 8.270 0.003 1 498 131 48 GLY HA2 H 4.015 0.001 2 499 131 48 GLY HA3 H 4.017 0.003 2 500 131 48 GLY C C 173.999 . 1 501 131 48 GLY CA C 45.472 0.021 1 502 131 48 GLY N N 110.339 0.057 1 503 132 49 LEU H H 8.080 0.006 1 504 132 49 LEU HA H 4.442 0.006 1 505 132 49 LEU HB2 H 1.656 0.012 2 506 132 49 LEU HB3 H 1.661 0.011 2 507 132 49 LEU HG H 1.642 0.017 1 508 132 49 LEU HD1 H 0.872 0.026 2 509 132 49 LEU HD2 H 0.916 0.009 2 510 132 49 LEU C C 176.830 . 1 511 132 49 LEU CA C 55.240 0.012 1 512 132 49 LEU CB C 42.509 0.059 1 513 132 49 LEU CG C 26.981 0.07 1 514 132 49 LEU CD1 C 23.291 0.062 2 515 132 49 LEU CD2 C 25.142 0.014 2 516 132 49 LEU N N 121.580 0.069 1 517 133 50 THR H H 7.727 0.003 1 518 133 50 THR HA H 4.157 0.003 1 519 133 50 THR HB H 4.247 0.006 1 520 133 50 THR HG2 H 1.162 0.013 1 521 133 50 THR CA C 63.027 0.007 1 522 133 50 THR CB C 70.683 0.044 1 523 133 50 THR CG2 C 22.069 0.005 1 524 133 50 THR N N 119.178 0.044 1 stop_ save_