data_17864 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for human FAIM-CTD ; _BMRB_accession_number 17864 _BMRB_flat_file_name bmr17864.str _Entry_type original _Submission_date 2011-08-16 _Accession_date 2011-08-16 _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 Ma Shuaipeng . . 2 Li Guoming . . 3 Zheng Xiaofeng . . 4 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 467 "13C chemical shifts" 356 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-31 original author . stop_ _Original_release_date 2011-08-31 save_ ############################# # Citation for this entry # ############################# save_FAIM-CTD_polypeptide _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N Assigned Chemical Shifts for human FAIM CTD' _Citation_status submitted _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 Ma Shuaipeng . . 2 Jin Changwen . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _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 'CTD monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CTD $FAIM-CTD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FAIM-CTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FAIM-CTD_polypeptide _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; EDRSKTTNTWVLHMDGENFR IVLEKDAMDVWCNGKKLETA GEFVDDGTETHFSIGNHDCY IKAVSSGKRKEGIIHTLIVD NREIPEIAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLU 2 2 ASP 3 3 ARG 4 4 SER 5 5 LYS 6 6 THR 7 7 THR 8 8 ASN 9 9 THR 10 10 TRP 11 11 VAL 12 12 LEU 13 13 HIS 14 14 MET 15 15 ASP 16 16 GLY 17 17 GLU 18 18 ASN 19 19 PHE 20 20 ARG 21 21 ILE 22 22 VAL 23 23 LEU 24 24 GLU 25 25 LYS 26 26 ASP 27 27 ALA 28 28 MET 29 29 ASP 30 30 VAL 31 31 TRP 32 32 CYS 33 33 ASN 34 34 GLY 35 35 LYS 36 36 LYS 37 37 LEU 38 38 GLU 39 39 THR 40 40 ALA 41 41 GLY 42 42 GLU 43 43 PHE 44 44 VAL 45 45 ASP 46 46 ASP 47 47 GLY 48 48 THR 49 49 GLU 50 50 THR 51 51 HIS 52 52 PHE 53 53 SER 54 54 ILE 55 55 GLY 56 56 ASN 57 57 HIS 58 58 ASP 59 59 CYS 60 60 TYR 61 61 ILE 62 62 LYS 63 63 ALA 64 64 VAL 65 65 SER 66 66 SER 67 67 GLY 68 68 LYS 69 69 ARG 70 70 LYS 71 71 GLU 72 72 GLY 73 73 ILE 74 74 ILE 75 75 HIS 76 76 THR 77 77 LEU 78 78 ILE 79 79 VAL 80 80 ASP 81 81 ASN 82 82 ARG 83 83 GLU 84 84 ILE 85 85 PRO 86 86 GLU 87 87 ILE 88 88 ALA 89 89 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KW1 "Solution Structure Of Ctd" 100.00 89 100.00 100.00 8.32e-58 DBJ BAA91695 "unnamed protein product [Homo sapiens]" 100.00 179 100.00 100.00 2.18e-57 EMBL CAG33403 "FAIM [Homo sapiens]" 100.00 179 98.88 98.88 8.68e-57 GB AAH12478 "Fas apoptotic inhibitory molecule [Homo sapiens]" 100.00 179 100.00 100.00 2.18e-57 GB ABM82508 "Fas apoptotic inhibitory molecule [synthetic construct]" 100.00 179 100.00 100.00 2.18e-57 GB ABM85702 "Fas apoptotic inhibitory molecule [synthetic construct]" 100.00 179 100.00 100.00 2.18e-57 GB AIC51733 "FAIM, partial [synthetic construct]" 100.00 179 100.00 100.00 2.18e-57 GB EAW79057 "Fas apoptotic inhibitory molecule, isoform CRA_a [Homo sapiens]" 100.00 201 100.00 100.00 3.61e-57 REF NP_001028202 "fas apoptotic inhibitory molecule 1 isoform a [Homo sapiens]" 100.00 213 100.00 100.00 3.27e-57 REF NP_001028203 "fas apoptotic inhibitory molecule 1 isoform b [Homo sapiens]" 100.00 201 100.00 100.00 3.61e-57 REF NP_001028204 "fas apoptotic inhibitory molecule 1 isoform c [Homo sapiens]" 100.00 179 100.00 100.00 2.18e-57 REF NP_060617 "fas apoptotic inhibitory molecule 1 isoform c [Homo sapiens]" 100.00 179 100.00 100.00 2.18e-57 REF XP_001157090 "PREDICTED: fas apoptotic inhibitory molecule 1 isoform X2 [Pan troglodytes]" 100.00 179 98.88 98.88 1.02e-56 SP Q9NVQ4 "RecName: Full=Fas apoptotic inhibitory molecule 1" 100.00 179 100.00 100.00 2.18e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FAIM-CTD humans 9606 Eukaryota Metazoa Homo sapiens 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 $FAIM-CTD 'recombinant technology' . Escherichia coli . pET28a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FAIM-CTD . mM 0.5 1.0 '[U-13C; U-15N]' H20 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . 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_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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.05 . M pH 7.0 . 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 'DSS reference' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CTD _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 1 1 GLU HA H 4.226 0.02 1 2 1 1 GLU HB2 H 1.926 0.02 2 3 1 1 GLU HB3 H 2.026 0.02 2 4 1 1 GLU HG2 H 2.232 0.02 2 5 1 1 GLU HG3 H 2.232 0.02 2 6 1 1 GLU C C 176.141 0.2 1 7 1 1 GLU CA C 56.747 0.2 1 8 1 1 GLU CB C 30.354 0.2 1 9 1 1 GLU CG C 36.341 0.2 1 10 2 2 ASP H H 8.368 0.02 1 11 2 2 ASP HA H 4.605 0.02 1 12 2 2 ASP HB2 H 2.647 0.02 2 13 2 2 ASP HB3 H 2.749 0.02 2 14 2 2 ASP C C 176.652 0.2 1 15 2 2 ASP CA C 54.180 0.2 1 16 2 2 ASP CB C 41.017 0.2 1 17 2 2 ASP N N 121.581 0.2 1 18 3 3 ARG H H 8.403 0.02 1 19 3 3 ARG HA H 4.367 0.02 1 20 3 3 ARG HB2 H 1.759 0.02 2 21 3 3 ARG HB3 H 1.947 0.02 2 22 3 3 ARG HG2 H 1.632 0.02 2 23 3 3 ARG HG3 H 1.684 0.02 2 24 3 3 ARG HD2 H 3.186 0.02 2 25 3 3 ARG HD3 H 3.244 0.02 2 26 3 3 ARG C C 176.786 0.2 1 27 3 3 ARG CA C 56.099 0.2 1 28 3 3 ARG CB C 30.450 0.2 1 29 3 3 ARG CG C 27.180 0.2 1 30 3 3 ARG CD C 43.026 0.2 1 31 3 3 ARG N N 122.519 0.2 1 32 4 4 SER H H 8.435 0.02 1 33 4 4 SER HA H 4.393 0.02 1 34 4 4 SER HB2 H 3.915 0.02 2 35 4 4 SER HB3 H 3.915 0.02 2 36 4 4 SER C C 174.797 0.2 1 37 4 4 SER CA C 59.431 0.2 1 38 4 4 SER CB C 63.805 0.2 1 39 4 4 SER N N 116.746 0.2 1 40 5 5 LYS H H 8.255 0.02 1 41 5 5 LYS HA H 4.507 0.02 1 42 5 5 LYS HB2 H 1.830 0.02 2 43 5 5 LYS HB3 H 1.965 0.02 2 44 5 5 LYS HG2 H 1.452 0.02 2 45 5 5 LYS HG3 H 1.515 0.02 2 46 5 5 LYS HD2 H 1.704 0.02 2 47 5 5 LYS HD3 H 1.704 0.02 2 48 5 5 LYS HE2 H 3.031 0.02 2 49 5 5 LYS HE3 H 3.031 0.02 2 50 5 5 LYS C C 177.055 0.2 1 51 5 5 LYS CA C 56.320 0.2 1 52 5 5 LYS CB C 32.968 0.2 1 53 5 5 LYS CG C 24.825 0.2 1 54 5 5 LYS CD C 29.159 0.2 1 55 5 5 LYS CE C 42.207 0.2 1 56 5 5 LYS N N 122.365 0.2 1 57 6 6 THR H H 8.217 0.02 1 58 6 6 THR HA H 4.425 0.02 1 59 6 6 THR HB H 4.408 0.02 1 60 6 6 THR HG2 H 1.223 0.02 1 61 6 6 THR C C 174.475 0.2 1 62 6 6 THR CA C 62.238 0.2 1 63 6 6 THR CB C 69.350 0.2 1 64 6 6 THR CG2 C 22.099 0.2 1 65 6 6 THR N N 113.181 0.2 1 66 7 7 THR H H 7.806 0.02 1 67 7 7 THR HA H 5.315 0.02 1 68 7 7 THR HB H 3.985 0.02 1 69 7 7 THR HG2 H 1.093 0.02 1 70 7 7 THR C C 174.018 0.2 1 71 7 7 THR CA C 59.872 0.2 1 72 7 7 THR CB C 72.554 0.2 1 73 7 7 THR CG2 C 21.792 0.2 1 74 7 7 THR N N 113.435 0.2 1 75 8 8 ASN H H 8.371 0.02 1 76 8 8 ASN HA H 4.665 0.02 1 77 8 8 ASN HB2 H 1.676 0.02 2 78 8 8 ASN HB3 H 2.087 0.02 2 79 8 8 ASN HD21 H 7.202 0.02 2 80 8 8 ASN HD22 H 6.955 0.02 2 81 8 8 ASN C C 172.781 0.2 1 82 8 8 ASN CA C 53.079 0.2 1 83 8 8 ASN CB C 42.537 0.2 1 84 8 8 ASN N N 119.706 0.2 1 85 8 8 ASN ND2 N 110.348 0.2 1 86 9 9 THR H H 7.995 0.02 1 87 9 9 THR HA H 5.349 0.02 1 88 9 9 THR HB H 3.667 0.02 1 89 9 9 THR HG2 H 1.050 0.02 1 90 9 9 THR C C 171.867 0.2 1 91 9 9 THR CA C 61.564 0.2 1 92 9 9 THR CB C 71.500 0.2 1 93 9 9 THR CG2 C 21.050 0.2 1 94 9 9 THR N N 115.981 0.2 1 95 10 10 TRP H H 9.644 0.02 1 96 10 10 TRP HA H 4.918 0.02 1 97 10 10 TRP HB2 H 2.930 0.02 2 98 10 10 TRP HB3 H 2.950 0.02 2 99 10 10 TRP HE1 H 10.444 0.02 1 100 10 10 TRP C C 174.528 0.2 1 101 10 10 TRP CA C 58.055 0.2 1 102 10 10 TRP CB C 34.516 0.2 1 103 10 10 TRP N N 125.311 0.2 1 104 10 10 TRP NE1 N 130.692 0.2 1 105 11 11 VAL H H 8.744 0.02 1 106 11 11 VAL HA H 5.182 0.02 1 107 11 11 VAL HB H 1.959 0.02 1 108 11 11 VAL HG1 H 0.842 0.02 2 109 11 11 VAL HG2 H 0.937 0.02 2 110 11 11 VAL C C 174.958 0.2 1 111 11 11 VAL CA C 61.069 0.2 1 112 11 11 VAL CB C 34.065 0.2 1 113 11 11 VAL CG1 C 21.219 0.2 1 114 11 11 VAL CG2 C 21.219 0.2 1 115 11 11 VAL N N 120.177 0.2 1 116 12 12 LEU H H 9.111 0.02 1 117 12 12 LEU HA H 4.771 0.02 1 118 12 12 LEU HB2 H 1.679 0.02 2 119 12 12 LEU HB3 H 1.759 0.02 2 120 12 12 LEU HG H 0.837 0.02 1 121 12 12 LEU HD1 H 1.627 0.02 2 122 12 12 LEU HD2 H 0.830 0.02 2 123 12 12 LEU C C 174.501 0.2 1 124 12 12 LEU CA C 53.611 0.2 1 125 12 12 LEU CB C 45.143 0.2 1 126 12 12 LEU CG C 27.716 0.2 1 127 12 12 LEU CD1 C 27.442 0.2 1 128 12 12 LEU CD2 C 25.802 0.2 1 129 12 12 LEU N N 126.266 0.2 1 130 13 13 HIS H H 8.827 0.02 1 131 13 13 HIS HA H 5.546 0.02 1 132 13 13 HIS HB2 H 2.987 0.02 2 133 13 13 HIS HB3 H 3.170 0.02 2 134 13 13 HIS C C 174.931 0.2 1 135 13 13 HIS CA C 54.929 0.2 1 136 13 13 HIS CB C 30.450 0.2 1 137 13 13 HIS N N 124.284 0.2 1 138 14 14 MET H H 8.756 0.02 1 139 14 14 MET HA H 4.660 0.02 1 140 14 14 MET HB2 H 1.775 0.02 2 141 14 14 MET HB3 H 1.832 0.02 2 142 14 14 MET HG2 H 2.104 0.02 2 143 14 14 MET HG3 H 2.175 0.02 2 144 14 14 MET HE H 1.266 0.02 1 145 14 14 MET C C 174.501 0.2 1 146 14 14 MET CA C 55.061 0.2 1 147 14 14 MET CB C 36.191 0.2 1 148 14 14 MET CG C 31.292 0.2 1 149 14 14 MET CE C 17.600 0.2 1 150 14 14 MET N N 123.505 0.2 1 151 15 15 ASP H H 9.246 0.02 1 152 15 15 ASP HA H 4.332 0.02 1 153 15 15 ASP HB2 H 3.001 0.02 2 154 15 15 ASP HB3 H 3.001 0.02 2 155 15 15 ASP C C 175.980 0.2 1 156 15 15 ASP CA C 55.248 0.2 1 157 15 15 ASP CB C 39.305 0.2 1 158 15 15 ASP N N 121.639 0.2 1 159 16 16 GLY H H 8.408 0.02 1 160 16 16 GLY HA2 H 3.670 0.02 2 161 16 16 GLY HA3 H 4.160 0.02 2 162 16 16 GLY C C 173.588 0.2 1 163 16 16 GLY CA C 45.760 0.2 1 164 16 16 GLY N N 103.879 0.2 1 165 17 17 GLU H H 7.802 0.02 1 166 17 17 GLU HA H 4.511 0.02 1 167 17 17 GLU HB2 H 1.583 0.02 2 168 17 17 GLU HB3 H 1.702 0.02 2 169 17 17 GLU HG2 H 1.903 0.02 2 170 17 17 GLU HG3 H 1.995 0.02 2 171 17 17 GLU C C 173.238 0.2 1 172 17 17 GLU CA C 54.265 0.2 1 173 17 17 GLU CB C 33.401 0.2 1 174 17 17 GLU CG C 36.075 0.2 1 175 17 17 GLU N N 120.925 0.2 1 176 18 18 ASN H H 8.218 0.02 1 177 18 18 ASN HA H 5.328 0.02 1 178 18 18 ASN HB2 H 2.504 0.02 2 179 18 18 ASN HB3 H 2.576 0.02 2 180 18 18 ASN HD21 H 7.584 0.02 2 181 18 18 ASN HD22 H 6.890 0.02 2 182 18 18 ASN C C 174.609 0.2 1 183 18 18 ASN CA C 52.322 0.2 1 184 18 18 ASN CB C 40.733 0.2 1 185 18 18 ASN N N 117.855 0.2 1 186 18 18 ASN ND2 N 114.565 0.2 1 187 19 19 PHE H H 9.224 0.02 1 188 19 19 PHE HA H 4.883 0.02 1 189 19 19 PHE HB2 H 2.835 0.02 2 190 19 19 PHE HB3 H 2.921 0.02 2 191 19 19 PHE C C 173.534 0.2 1 192 19 19 PHE CA C 57.429 0.2 1 193 19 19 PHE CB C 40.880 0.2 1 194 19 19 PHE N N 121.246 0.2 1 195 20 20 ARG H H 8.828 0.02 1 196 20 20 ARG HA H 5.126 0.02 1 197 20 20 ARG HB2 H 1.763 0.02 2 198 20 20 ARG HB3 H 2.038 0.02 2 199 20 20 ARG HG2 H 1.395 0.02 2 200 20 20 ARG HG3 H 1.467 0.02 2 201 20 20 ARG HD2 H 3.181 0.02 2 202 20 20 ARG HD3 H 3.181 0.02 2 203 20 20 ARG C C 174.985 0.2 1 204 20 20 ARG CA C 55.387 0.2 1 205 20 20 ARG CB C 30.928 0.2 1 206 20 20 ARG CG C 28.314 0.2 1 207 20 20 ARG CD C 43.198 0.2 1 208 20 20 ARG N N 125.634 0.2 1 209 21 21 ILE H H 9.750 0.02 1 210 21 21 ILE HA H 5.261 0.02 1 211 21 21 ILE HB H 2.173 0.02 1 212 21 21 ILE HG12 H 1.203 0.02 1 213 21 21 ILE HG13 H 1.553 0.02 1 214 21 21 ILE HG2 H 0.861 0.02 1 215 21 21 ILE HD1 H 0.814 0.02 1 216 21 21 ILE C C 174.448 0.2 1 217 21 21 ILE CA C 59.409 0.2 1 218 21 21 ILE CB C 39.463 0.2 1 219 21 21 ILE CG1 C 28.262 0.2 1 220 21 21 ILE CG2 C 17.604 0.2 1 221 21 21 ILE CD1 C 13.772 0.2 1 222 21 21 ILE N N 131.723 0.2 1 223 22 22 VAL H H 9.236 0.02 1 224 22 22 VAL HA H 5.172 0.02 1 225 22 22 VAL HB H 1.968 0.02 1 226 22 22 VAL HG1 H 0.842 0.02 2 227 22 22 VAL HG2 H 0.942 0.02 2 228 22 22 VAL C C 174.716 0.2 1 229 22 22 VAL CA C 60.657 0.2 1 230 22 22 VAL CB C 36.191 0.2 1 231 22 22 VAL CG1 C 21.153 0.2 1 232 22 22 VAL CG2 C 21.427 0.2 1 233 22 22 VAL N N 127.056 0.2 1 234 23 23 LEU H H 9.108 0.02 1 235 23 23 LEU HA H 5.333 0.02 1 236 23 23 LEU HB2 H 1.535 0.02 2 237 23 23 LEU HB3 H 1.992 0.02 2 238 23 23 LEU HD1 H 0.825 0.02 2 239 23 23 LEU HD2 H 0.650 0.02 2 240 23 23 LEU C C 175.791 0.2 1 241 23 23 LEU CA C 52.892 0.2 1 242 23 23 LEU CB C 46.665 0.2 1 243 23 23 LEU CD1 C 22.686 0.2 1 244 23 23 LEU CD2 C 26.669 0.2 1 245 23 23 LEU N N 127.335 0.2 1 246 24 24 GLU H H 9.091 0.02 1 247 24 24 GLU HA H 4.774 0.02 1 248 24 24 GLU HB2 H 2.135 0.02 2 249 24 24 GLU HB3 H 2.404 0.02 2 250 24 24 GLU HG2 H 2.151 0.02 2 251 24 24 GLU HG3 H 2.389 0.02 2 252 24 24 GLU C C 177.082 0.2 1 253 24 24 GLU CA C 55.488 0.2 1 254 24 24 GLU CB C 30.450 0.2 1 255 24 24 GLU CG C 36.660 0.2 1 256 24 24 GLU N N 127.836 0.2 1 257 25 25 LYS H H 8.183 0.02 1 258 25 25 LYS HA H 3.864 0.02 1 259 25 25 LYS HB2 H 1.749 0.02 2 260 25 25 LYS HB3 H 1.749 0.02 2 261 25 25 LYS HG2 H 1.185 0.02 2 262 25 25 LYS HG3 H 1.282 0.02 2 263 25 25 LYS HD2 H 1.633 0.02 2 264 25 25 LYS HD3 H 1.633 0.02 2 265 25 25 LYS HE2 H 2.818 0.02 2 266 25 25 LYS HE3 H 2.872 0.02 2 267 25 25 LYS C C 177.001 0.2 1 268 25 25 LYS CA C 59.978 0.2 1 269 25 25 LYS CB C 32.910 0.2 1 270 25 25 LYS CG C 25.443 0.2 1 271 25 25 LYS CD C 29.482 0.2 1 272 25 25 LYS CE C 42.206 0.2 1 273 25 25 LYS N N 123.497 0.2 1 274 26 26 ASP H H 8.898 0.02 1 275 26 26 ASP HA H 4.407 0.02 1 276 26 26 ASP HB2 H 2.719 0.02 2 277 26 26 ASP HB3 H 2.814 0.02 2 278 26 26 ASP C C 177.404 0.2 1 279 26 26 ASP CA C 57.346 0.2 1 280 26 26 ASP CB C 40.019 0.2 1 281 26 26 ASP N N 119.492 0.2 1 282 27 27 ALA H H 8.038 0.02 1 283 27 27 ALA HA H 4.363 0.02 1 284 27 27 ALA HB H 1.375 0.02 1 285 27 27 ALA C C 176.947 0.2 1 286 27 27 ALA CA C 51.864 0.2 1 287 27 27 ALA CB C 19.824 0.2 1 288 27 27 ALA N N 119.805 0.2 1 289 28 28 MET H H 7.990 0.02 1 290 28 28 MET HA H 4.144 0.02 1 291 28 28 MET HB2 H 2.110 0.02 2 292 28 28 MET HB3 H 2.216 0.02 2 293 28 28 MET HG2 H 2.475 0.02 2 294 28 28 MET HG3 H 2.699 0.02 2 295 28 28 MET HE H 1.884 0.02 1 296 28 28 MET C C 175.308 0.2 1 297 28 28 MET CA C 54.673 0.2 1 298 28 28 MET CB C 26.895 0.2 1 299 28 28 MET CG C 32.364 0.2 1 300 28 28 MET CE C 15.960 0.2 1 301 28 28 MET N N 113.987 0.2 1 302 29 29 ASP H H 7.197 0.02 1 303 29 29 ASP HA H 4.739 0.02 1 304 29 29 ASP HB2 H 2.164 0.02 2 305 29 29 ASP HB3 H 2.588 0.02 2 306 29 29 ASP C C 174.475 0.2 1 307 29 29 ASP CA C 53.422 0.2 1 308 29 29 ASP CB C 43.847 0.2 1 309 29 29 ASP N N 117.424 0.2 1 310 30 30 VAL H H 8.768 0.02 1 311 30 30 VAL HA H 4.675 0.02 1 312 30 30 VAL HB H 1.183 0.02 1 313 30 30 VAL HG1 H -0.021 0.02 2 314 30 30 VAL HG2 H 0.521 0.02 2 315 30 30 VAL C C 173.695 0.2 1 316 30 30 VAL CA C 61.064 0.2 1 317 30 30 VAL CB C 33.457 0.2 1 318 30 30 VAL CG1 C 21.154 0.2 1 319 30 30 VAL CG2 C 21.701 0.2 1 320 30 30 VAL N N 122.049 0.2 1 321 31 31 TRP H H 9.296 0.02 1 322 31 31 TRP HA H 5.057 0.02 1 323 31 31 TRP HB2 H 2.905 0.02 2 324 31 31 TRP HB3 H 3.069 0.02 2 325 31 31 TRP HE1 H 10.410 0.02 1 326 31 31 TRP C C 176.007 0.2 1 327 31 31 TRP CA C 55.133 0.2 1 328 31 31 TRP CB C 31.779 0.2 1 329 31 31 TRP N N 126.870 0.2 1 330 31 31 TRP NE1 N 130.934 0.2 1 331 32 32 CYS H H 9.530 0.02 1 332 32 32 CYS HA H 5.489 0.02 1 333 32 32 CYS HB2 H 2.392 0.02 2 334 32 32 CYS HB3 H 2.937 0.02 2 335 32 32 CYS C C 175.281 0.2 1 336 32 32 CYS CA C 56.361 0.2 1 337 32 32 CYS CB C 28.127 0.2 1 338 32 32 CYS N N 121.009 0.2 1 339 33 33 ASN H H 9.787 0.02 1 340 33 33 ASN HA H 4.728 0.02 1 341 33 33 ASN HB2 H 3.160 0.02 2 342 33 33 ASN HB3 H 3.366 0.02 2 343 33 33 ASN HD21 H 7.997 0.02 2 344 33 33 ASN HD22 H 7.137 0.02 2 345 33 33 ASN C C 175.630 0.2 1 346 33 33 ASN CA C 54.166 0.2 1 347 33 33 ASN CB C 36.423 0.2 1 348 33 33 ASN N N 130.930 0.2 1 349 33 33 ASN ND2 N 112.770 0.2 1 350 34 34 GLY H H 9.109 0.02 1 351 34 34 GLY HA2 H 3.779 0.02 2 352 34 34 GLY HA3 H 4.308 0.02 2 353 34 34 GLY C C 173.641 0.2 1 354 34 34 GLY CA C 45.560 0.2 1 355 34 34 GLY N N 102.344 0.2 1 356 35 35 LYS H H 8.004 0.02 1 357 35 35 LYS HA H 4.822 0.02 1 358 35 35 LYS HB2 H 1.916 0.02 2 359 35 35 LYS HB3 H 1.876 0.02 2 360 35 35 LYS HG2 H 1.459 0.02 2 361 35 35 LYS HG3 H 1.531 0.02 2 362 35 35 LYS HD2 H 1.789 0.02 2 363 35 35 LYS HD3 H 1.789 0.02 2 364 35 35 LYS HE2 H 3.105 0.02 2 365 35 35 LYS HE3 H 3.105 0.02 2 366 35 35 LYS C C 174.770 0.2 1 367 35 35 LYS CA C 54.637 0.2 1 368 35 35 LYS CB C 34.586 0.2 1 369 35 35 LYS CG C 24.753 0.2 1 370 35 35 LYS CD C 29.086 0.2 1 371 35 35 LYS CE C 42.369 0.2 1 372 35 35 LYS N N 121.240 0.2 1 373 36 36 LYS H H 8.545 0.02 1 374 36 36 LYS HA H 3.482 0.02 1 375 36 36 LYS HB2 H 0.325 0.02 2 376 36 36 LYS HB3 H 1.199 0.02 2 377 36 36 LYS HG2 H 0.113 0.02 2 378 36 36 LYS HG3 H 0.736 0.02 2 379 36 36 LYS HD2 H 1.232 0.02 2 380 36 36 LYS HD3 H 1.266 0.02 2 381 36 36 LYS HE2 H 2.582 0.02 2 382 36 36 LYS HE3 H 2.733 0.02 2 383 36 36 LYS C C 176.920 0.2 1 384 36 36 LYS CA C 57.010 0.2 1 385 36 36 LYS CB C 31.666 0.2 1 386 36 36 LYS CG C 24.778 0.2 1 387 36 36 LYS CD C 28.939 0.2 1 388 36 36 LYS CE C 42.203 0.2 1 389 36 36 LYS N N 128.223 0.2 1 390 37 37 LEU H H 8.619 0.02 1 391 37 37 LEU HA H 4.425 0.02 1 392 37 37 LEU HB2 H 1.234 0.02 2 393 37 37 LEU HB3 H 1.234 0.02 2 394 37 37 LEU HG H 1.429 0.02 1 395 37 37 LEU HD1 H 0.831 0.02 2 396 37 37 LEU HD2 H 0.465 0.02 2 397 37 37 LEU C C 177.055 0.2 1 398 37 37 LEU CA C 53.963 0.2 1 399 37 37 LEU CB C 42.753 0.2 1 400 37 37 LEU CG C 26.670 0.2 1 401 37 37 LEU CD1 C 22.178 0.2 1 402 37 37 LEU CD2 C 26.622 0.2 1 403 37 37 LEU N N 127.796 0.2 1 404 38 38 GLU H H 8.519 0.02 1 405 38 38 GLU HA H 4.398 0.02 1 406 38 38 GLU HB2 H 1.976 0.02 2 407 38 38 GLU HB3 H 2.056 0.02 2 408 38 38 GLU HG2 H 2.263 0.02 2 409 38 38 GLU HG3 H 2.345 0.02 2 410 38 38 GLU C C 176.490 0.2 1 411 38 38 GLU CA C 56.370 0.2 1 412 38 38 GLU CB C 29.630 0.2 1 413 38 38 GLU CG C 36.432 0.2 1 414 38 38 GLU N N 122.076 0.2 1 415 39 39 THR H H 8.236 0.02 1 416 39 39 THR HA H 5.294 0.02 1 417 39 39 THR HB H 4.231 0.02 1 418 39 39 THR HG2 H 0.932 0.02 1 419 39 39 THR C C 174.071 0.2 1 420 39 39 THR CA C 59.413 0.2 1 421 39 39 THR CB C 72.281 0.2 1 422 39 39 THR CG2 C 21.528 0.2 1 423 39 39 THR N N 114.136 0.2 1 424 40 40 ALA H H 8.723 0.02 1 425 40 40 ALA HA H 4.770 0.02 1 426 40 40 ALA HB H 1.409 0.02 1 427 40 40 ALA C C 177.001 0.2 1 428 40 40 ALA CA C 51.604 0.2 1 429 40 40 ALA CB C 21.286 0.2 1 430 40 40 ALA N N 123.157 0.2 1 431 41 41 GLY H H 8.806 0.02 1 432 41 41 GLY HA2 H 4.727 0.02 2 433 41 41 GLY HA3 H 4.907 0.02 2 434 41 41 GLY C C 173.614 0.2 1 435 41 41 GLY CA C 45.061 0.2 1 436 41 41 GLY N N 112.065 0.2 1 437 42 42 GLU H H 8.768 0.02 1 438 42 42 GLU HA H 4.590 0.02 1 439 42 42 GLU HB2 H 1.816 0.02 2 440 42 42 GLU HB3 H 2.006 0.02 2 441 42 42 GLU HG2 H 2.097 0.02 2 442 42 42 GLU HG3 H 2.097 0.02 2 443 42 42 GLU C C 175.281 0.2 1 444 42 42 GLU CA C 55.068 0.2 1 445 42 42 GLU CB C 32.768 0.2 1 446 42 42 GLU CG C 35.660 0.2 1 447 42 42 GLU N N 122.075 0.2 1 448 43 43 PHE H H 8.904 0.02 1 449 43 43 PHE HA H 4.821 0.02 1 450 43 43 PHE HB2 H 2.997 0.02 2 451 43 43 PHE HB3 H 3.187 0.02 2 452 43 43 PHE C C 175.523 0.2 1 453 43 43 PHE CA C 58.265 0.2 1 454 43 43 PHE CB C 39.002 0.2 1 455 43 43 PHE N N 123.834 0.2 1 456 44 44 VAL H H 8.103 0.02 1 457 44 44 VAL HA H 4.494 0.02 1 458 44 44 VAL HB H 2.191 0.02 1 459 44 44 VAL HG1 H 0.744 0.02 2 460 44 44 VAL HG2 H 0.836 0.02 2 461 44 44 VAL C C 176.275 0.2 1 462 44 44 VAL CA C 60.499 0.2 1 463 44 44 VAL CB C 34.277 0.2 1 464 44 44 VAL CG1 C 19.665 0.2 1 465 44 44 VAL CG2 C 21.722 0.2 1 466 44 44 VAL N N 120.014 0.2 1 467 45 45 ASP H H 8.586 0.02 1 468 45 45 ASP HA H 4.319 0.02 1 469 45 45 ASP HB2 H 2.684 0.02 2 470 45 45 ASP HB3 H 2.684 0.02 2 471 45 45 ASP C C 176.544 0.2 1 472 45 45 ASP CA C 57.124 0.2 1 473 45 45 ASP CB C 40.287 0.2 1 474 45 45 ASP N N 122.164 0.2 1 475 46 46 ASP H H 8.301 0.02 1 476 46 46 ASP HA H 4.676 0.02 1 477 46 46 ASP HB2 H 2.707 0.02 2 478 46 46 ASP HB3 H 2.915 0.02 2 479 46 46 ASP C C 175.899 0.2 1 480 46 46 ASP CA C 53.647 0.2 1 481 46 46 ASP CB C 40.291 0.2 1 482 46 46 ASP N N 116.301 0.2 1 483 47 47 GLY H H 7.672 0.02 1 484 47 47 GLY HA2 H 4.065 0.02 2 485 47 47 GLY HA3 H 4.671 0.02 2 486 47 47 GLY C C 173.292 0.2 1 487 47 47 GLY CA C 46.034 0.2 1 488 47 47 GLY N N 107.841 0.2 1 489 48 48 THR H H 8.433 0.02 1 490 48 48 THR HA H 4.961 0.02 1 491 48 48 THR HB H 4.160 0.02 1 492 48 48 THR HG2 H 1.111 0.02 1 493 48 48 THR C C 174.206 0.2 1 494 48 48 THR CA C 61.336 0.2 1 495 48 48 THR CB C 71.908 0.2 1 496 48 48 THR CG2 C 21.953 0.2 1 497 48 48 THR N N 115.157 0.2 1 498 49 49 GLU H H 8.885 0.02 1 499 49 49 GLU HA H 5.231 0.02 1 500 49 49 GLU HB2 H 1.494 0.02 2 501 49 49 GLU HB3 H 1.969 0.02 2 502 49 49 GLU HG2 H 2.016 0.02 2 503 49 49 GLU HG3 H 2.285 0.02 2 504 49 49 GLU C C 175.684 0.2 1 505 49 49 GLU CA C 54.688 0.2 1 506 49 49 GLU CB C 33.433 0.2 1 507 49 49 GLU CG C 36.369 0.2 1 508 49 49 GLU N N 121.306 0.2 1 509 50 50 THR H H 9.134 0.02 1 510 50 50 THR HA H 4.775 0.02 1 511 50 50 THR HB H 3.991 0.02 1 512 50 50 THR HG2 H 1.210 0.02 1 513 50 50 THR C C 174.340 0.2 1 514 50 50 THR CA C 62.682 0.2 1 515 50 50 THR CB C 69.925 0.2 1 516 50 50 THR CG2 C 21.118 0.2 1 517 50 50 THR N N 121.943 0.2 1 518 51 51 HIS H H 9.434 0.02 1 519 51 51 HIS HA H 5.069 0.02 1 520 51 51 HIS HB2 H 3.279 0.02 2 521 51 51 HIS HB3 H 3.325 0.02 2 522 51 51 HIS C C 174.797 0.2 1 523 51 51 HIS CA C 55.876 0.2 1 524 51 51 HIS CB C 31.461 0.2 1 525 51 51 HIS N N 126.017 0.2 1 526 52 52 PHE H H 8.464 0.02 1 527 52 52 PHE HA H 4.926 0.02 1 528 52 52 PHE HB2 H 2.999 0.02 2 529 52 52 PHE HB3 H 3.351 0.02 2 530 52 52 PHE C C 172.512 0.2 1 531 52 52 PHE CA C 56.147 0.2 1 532 52 52 PHE CB C 39.386 0.2 1 533 52 52 PHE N N 116.915 0.2 1 534 53 53 SER H H 8.850 0.02 1 535 53 53 SER HA H 5.323 0.02 1 536 53 53 SER HB2 H 3.687 0.02 2 537 53 53 SER HB3 H 3.876 0.02 2 538 53 53 SER C C 173.829 0.2 1 539 53 53 SER CA C 57.482 0.2 1 540 53 53 SER CB C 65.747 0.2 1 541 53 53 SER N N 114.493 0.2 1 542 54 54 ILE H H 7.651 0.02 1 543 54 54 ILE HA H 4.075 0.02 1 544 54 54 ILE HB H 1.173 0.02 1 545 54 54 ILE HG12 H 0.983 0.02 1 546 54 54 ILE HG13 H 1.493 0.02 1 547 54 54 ILE HG2 H 0.146 0.02 1 548 54 54 ILE HD1 H 0.626 0.02 1 549 54 54 ILE C C 176.222 0.2 1 550 54 54 ILE CA C 60.918 0.2 1 551 54 54 ILE CB C 40.132 0.2 1 552 54 54 ILE CG1 C 27.003 0.2 1 553 54 54 ILE CG2 C 16.813 0.2 1 554 54 54 ILE CD1 C 14.308 0.2 1 555 54 54 ILE N N 122.442 0.2 1 556 55 55 GLY H H 8.878 0.02 1 557 55 55 GLY HA2 H 3.676 0.02 2 558 55 55 GLY HA3 H 3.982 0.02 2 559 55 55 GLY C C 175.173 0.2 1 560 55 55 GLY CA C 46.900 0.2 1 561 55 55 GLY N N 116.615 0.2 1 562 56 56 ASN H H 8.923 0.02 1 563 56 56 ASN HA H 4.733 0.02 1 564 56 56 ASN HB2 H 2.507 0.02 2 565 56 56 ASN HB3 H 2.777 0.02 2 566 56 56 ASN HD21 H 7.445 0.02 2 567 56 56 ASN HD22 H 6.772 0.02 2 568 56 56 ASN C C 174.770 0.2 1 569 56 56 ASN CA C 52.863 0.2 1 570 56 56 ASN CB C 37.900 0.2 1 571 56 56 ASN N N 124.141 0.2 1 572 56 56 ASN ND2 N 112.285 0.2 1 573 57 57 HIS H H 8.363 0.02 1 574 57 57 HIS HA H 4.746 0.02 1 575 57 57 HIS HB2 H 2.682 0.02 2 576 57 57 HIS HB3 H 3.215 0.02 2 577 57 57 HIS C C 174.018 0.2 1 578 57 57 HIS CA C 55.444 0.2 1 579 57 57 HIS CB C 28.536 0.2 1 580 57 57 HIS N N 118.668 0.2 1 581 58 58 ASP H H 8.682 0.02 1 582 58 58 ASP HA H 4.784 0.02 1 583 58 58 ASP HB2 H 2.691 0.02 2 584 58 58 ASP HB3 H 2.806 0.02 2 585 58 58 ASP C C 175.523 0.2 1 586 58 58 ASP CA C 54.418 0.2 1 587 58 58 ASP CB C 42.206 0.2 1 588 58 58 ASP N N 125.633 0.2 1 589 59 59 CYS H H 8.198 0.02 1 590 59 59 CYS HA H 5.183 0.02 1 591 59 59 CYS HB2 H 1.258 0.02 2 592 59 59 CYS HB3 H 1.653 0.02 2 593 59 59 CYS C C 173.937 0.2 1 594 59 59 CYS CA C 55.433 0.2 1 595 59 59 CYS CB C 30.996 0.2 1 596 59 59 CYS N N 123.221 0.2 1 597 60 60 TYR H H 8.812 0.02 1 598 60 60 TYR HA H 4.978 0.02 1 599 60 60 TYR HB2 H 1.670 0.02 2 600 60 60 TYR HB3 H 2.050 0.02 2 601 60 60 TYR C C 172.862 0.2 1 602 60 60 TYR CA C 56.725 0.2 1 603 60 60 TYR CB C 38.893 0.2 1 604 60 60 TYR N N 115.569 0.2 1 605 61 61 ILE H H 8.421 0.02 1 606 61 61 ILE HA H 5.039 0.02 1 607 61 61 ILE HB H 1.564 0.02 1 608 61 61 ILE HG12 H 0.737 0.02 1 609 61 61 ILE HG13 H 1.508 0.02 1 610 61 61 ILE HG2 H 0.974 0.02 1 611 61 61 ILE HD1 H 0.731 0.02 1 612 61 61 ILE C C 176.033 0.2 1 613 61 61 ILE CA C 58.337 0.2 1 614 61 61 ILE CB C 40.450 0.2 1 615 61 61 ILE CG1 C 28.912 0.2 1 616 61 61 ILE CG2 C 18.203 0.2 1 617 61 61 ILE CD1 C 14.593 0.2 1 618 61 61 ILE N N 118.246 0.2 1 619 62 62 LYS H H 9.438 0.02 1 620 62 62 LYS HA H 5.118 0.02 1 621 62 62 LYS HB2 H 1.599 0.02 2 622 62 62 LYS HB3 H 1.983 0.02 2 623 62 62 LYS HG2 H 1.375 0.02 2 624 62 62 LYS HG3 H 1.375 0.02 2 625 62 62 LYS HD2 H 1.655 0.02 2 626 62 62 LYS HD3 H 1.655 0.02 2 627 62 62 LYS HE2 H 2.812 0.02 2 628 62 62 LYS HE3 H 2.882 0.02 2 629 62 62 LYS C C 174.071 0.2 1 630 62 62 LYS CA C 54.594 0.2 1 631 62 62 LYS CB C 35.644 0.2 1 632 62 62 LYS CG C 25.255 0.2 1 633 62 62 LYS CD C 29.697 0.2 1 634 62 62 LYS CE C 42.074 0.2 1 635 62 62 LYS N N 131.705 0.2 1 636 63 63 ALA H H 8.819 0.02 1 637 63 63 ALA HA H 5.022 0.02 1 638 63 63 ALA HB H 1.251 0.02 1 639 63 63 ALA C C 176.625 0.2 1 640 63 63 ALA CA C 50.542 0.2 1 641 63 63 ALA CB C 20.369 0.2 1 642 63 63 ALA N N 129.971 0.2 1 643 64 64 VAL H H 8.511 0.02 1 644 64 64 VAL HA H 4.559 0.02 1 645 64 64 VAL HB H 2.070 0.02 1 646 64 64 VAL HG1 H 0.896 0.02 2 647 64 64 VAL HG2 H 0.958 0.02 2 648 64 64 VAL C C 175.308 0.2 1 649 64 64 VAL CA C 60.855 0.2 1 650 64 64 VAL CB C 34.571 0.2 1 651 64 64 VAL CG1 C 20.607 0.2 1 652 64 64 VAL CG2 C 21.344 0.2 1 653 64 64 VAL N N 121.578 0.2 1 654 65 65 SER H H 8.698 0.02 1 655 65 65 SER HA H 4.660 0.02 1 656 65 65 SER HB2 H 3.899 0.02 2 657 65 65 SER HB3 H 3.822 0.02 2 658 65 65 SER C C 174.770 0.2 1 659 65 65 SER CA C 58.038 0.2 1 660 65 65 SER CB C 64.202 0.2 1 661 65 65 SER N N 119.794 0.2 1 662 66 66 SER H H 8.367 0.02 1 663 66 66 SER HA H 4.483 0.02 1 664 66 66 SER HB2 H 3.743 0.02 2 665 66 66 SER HB3 H 3.905 0.02 2 666 66 66 SER C C 175.053 0.2 1 667 66 66 SER CA C 58.195 0.2 1 668 66 66 SER CB C 64.249 0.2 1 669 66 66 SER N N 118.656 0.2 1 670 67 67 GLY H H 8.543 0.02 1 671 67 67 GLY HA2 H 3.727 0.02 2 672 67 67 GLY HA3 H 3.727 0.02 2 673 67 67 GLY C C 174.853 0.2 1 674 67 67 GLY CA C 45.405 0.2 1 675 67 67 GLY N N 111.490 0.2 1 676 68 68 LYS HA H 4.398 0.02 1 677 68 68 LYS HB2 H 1.908 0.02 2 678 68 68 LYS HB3 H 2.268 0.02 2 679 68 68 LYS C C 176.013 0.2 1 680 68 68 LYS CA C 55.669 0.2 1 681 68 68 LYS CB C 32.467 0.2 1 682 68 68 LYS CG C 24.841 0.2 1 683 68 68 LYS CD C 29.105 0.2 1 684 68 68 LYS CE C 42.215 0.2 1 685 69 69 ARG H H 8.449 0.02 1 686 69 69 ARG C C 175.968 0.2 1 687 69 69 ARG CA C 56.458 0.2 1 688 69 69 ARG CB C 30.197 0.2 1 689 69 69 ARG N N 121.909 0.2 1 690 70 70 LYS HA H 4.099 0.02 1 691 70 70 LYS HB2 H 1.878 0.02 2 692 70 70 LYS HB3 H 1.878 0.02 2 693 70 70 LYS HG2 H 1.443 0.02 2 694 70 70 LYS HG3 H 1.443 0.02 2 695 70 70 LYS HD2 H 1.702 0.02 2 696 70 70 LYS HD3 H 1.702 0.02 2 697 70 70 LYS HE2 H 3.028 0.02 2 698 70 70 LYS HE3 H 3.028 0.02 2 699 70 70 LYS C C 176.947 0.2 1 700 70 70 LYS CA C 57.790 0.2 1 701 70 70 LYS CB C 31.756 0.2 1 702 70 70 LYS CG C 24.872 0.2 1 703 70 70 LYS CD C 29.123 0.2 1 704 70 70 LYS CE C 42.157 0.2 1 705 71 71 GLU H H 8.656 0.02 1 706 71 71 GLU HA H 4.297 0.02 1 707 71 71 GLU HB2 H 2.005 0.02 2 708 71 71 GLU HB3 H 2.099 0.02 2 709 71 71 GLU HG2 H 2.303 0.02 2 710 71 71 GLU HG3 H 2.303 0.02 2 711 71 71 GLU C C 176.947 0.2 1 712 71 71 GLU CA C 57.265 0.2 1 713 71 71 GLU CB C 29.665 0.2 1 714 71 71 GLU CG C 36.686 0.2 1 715 71 71 GLU N N 118.767 0.2 1 716 72 72 GLY H H 8.172 0.02 1 717 72 72 GLY HA2 H 3.960 0.02 2 718 72 72 GLY HA3 H 4.062 0.02 2 719 72 72 GLY C C 173.588 0.2 1 720 72 72 GLY CA C 45.171 0.2 1 721 72 72 GLY N N 108.493 0.2 1 722 73 73 ILE H H 7.985 0.02 1 723 73 73 ILE HA H 4.376 0.02 1 724 73 73 ILE HB H 1.666 0.02 1 725 73 73 ILE HG12 H 1.029 0.02 1 726 73 73 ILE HG13 H 1.470 0.02 1 727 73 73 ILE HG2 H 0.485 0.02 1 728 73 73 ILE HD1 H 0.808 0.02 1 729 73 73 ILE C C 175.469 0.2 1 730 73 73 ILE CA C 60.532 0.2 1 731 73 73 ILE CB C 39.745 0.2 1 732 73 73 ILE CG1 C 27.828 0.2 1 733 73 73 ILE CG2 C 17.616 0.2 1 734 73 73 ILE CD1 C 12.732 0.2 1 735 73 73 ILE N N 121.671 0.2 1 736 74 74 ILE H H 8.576 0.02 1 737 74 74 ILE HA H 4.387 0.02 1 738 74 74 ILE HB H 1.781 0.02 1 739 74 74 ILE HG12 H 1.132 0.02 1 740 74 74 ILE HG13 H 1.492 0.02 1 741 74 74 ILE HG2 H 0.900 0.02 1 742 74 74 ILE HD1 H 0.850 0.02 1 743 74 74 ILE C C 175.039 0.2 1 744 74 74 ILE CA C 60.021 0.2 1 745 74 74 ILE CB C 40.292 0.2 1 746 74 74 ILE CG1 C 27.372 0.2 1 747 74 74 ILE CG2 C 17.449 0.2 1 748 74 74 ILE CD1 C 13.097 0.2 1 749 74 74 ILE N N 127.014 0.2 1 750 75 75 HIS H H 8.605 0.02 1 751 75 75 HIS HA H 5.599 0.02 1 752 75 75 HIS HB2 H 2.842 0.02 2 753 75 75 HIS HB3 H 3.046 0.02 2 754 75 75 HIS C C 175.254 0.2 1 755 75 75 HIS CA C 57.206 0.2 1 756 75 75 HIS CB C 32.230 0.2 1 757 75 75 HIS N N 125.448 0.2 1 758 76 76 THR H H 8.977 0.02 1 759 76 76 THR HA H 4.939 0.02 1 760 76 76 THR HB H 3.917 0.02 1 761 76 76 THR HG2 H 1.185 0.02 1 762 76 76 THR C C 172.019 0.2 1 763 76 76 THR CA C 60.153 0.2 1 764 76 76 THR CB C 71.945 0.2 1 765 76 76 THR CG2 C 21.832 0.2 1 766 76 76 THR N N 117.745 0.2 1 767 77 77 LEU H H 8.334 0.02 1 768 77 77 LEU HA H 4.320 0.02 1 769 77 77 LEU HB2 H -0.930 0.02 2 770 77 77 LEU HB3 H 0.568 0.02 2 771 77 77 LEU HG H 0.755 0.02 1 772 77 77 LEU HD1 H 0.243 0.02 2 773 77 77 LEU HD2 H 0.109 0.02 2 774 77 77 LEU C C 172.754 0.2 1 775 77 77 LEU CA C 53.763 0.2 1 776 77 77 LEU CB C 39.976 0.2 1 777 77 77 LEU CG C 27.170 0.2 1 778 77 77 LEU CD1 C 23.308 0.2 1 779 77 77 LEU CD2 C 26.825 0.2 1 780 77 77 LEU N N 126.537 0.2 1 781 78 78 ILE H H 8.623 0.02 1 782 78 78 ILE HA H 4.469 0.02 1 783 78 78 ILE HB H 0.340 0.02 1 784 78 78 ILE HG12 H 0.766 0.02 1 785 78 78 ILE HG13 H 0.875 0.02 1 786 78 78 ILE HG2 H 0.393 0.02 1 787 78 78 ILE HD1 H 0.479 0.02 1 788 78 78 ILE C C 175.256 0.2 1 789 78 78 ILE CA C 58.564 0.2 1 790 78 78 ILE CB C 37.558 0.2 1 791 78 78 ILE CG1 C 28.130 0.2 1 792 78 78 ILE CG2 C 17.838 0.2 1 793 78 78 ILE CD1 C 11.950 0.2 1 794 78 78 ILE N N 128.032 0.2 1 795 79 79 VAL H H 8.494 0.02 1 796 79 79 VAL HA H 4.249 0.02 1 797 79 79 VAL HB H 1.682 0.02 1 798 79 79 VAL HG1 H 0.606 0.02 2 799 79 79 VAL HG2 H 0.701 0.02 2 800 79 79 VAL C C 176.266 0.2 1 801 79 79 VAL CA C 61.032 0.2 1 802 79 79 VAL CB C 34.526 0.2 1 803 79 79 VAL CG1 C 20.607 0.2 1 804 79 79 VAL CG2 C 20.436 0.2 1 805 79 79 VAL N N 124.704 0.2 1 806 80 80 ASP H H 9.247 0.02 1 807 80 80 ASP HA H 4.363 0.02 1 808 80 80 ASP HB2 H 2.819 0.02 2 809 80 80 ASP HB3 H 2.916 0.02 2 810 80 80 ASP C C 175.601 0.2 1 811 80 80 ASP CA C 55.757 0.2 1 812 80 80 ASP CB C 39.199 0.2 1 813 80 80 ASP N N 129.210 0.2 1 814 81 81 ASN H H 8.828 0.02 1 815 81 81 ASN HA H 4.040 0.02 1 816 81 81 ASN HB2 H 2.993 0.02 2 817 81 81 ASN HB3 H 3.063 0.02 2 818 81 81 ASN HD21 H 6.952 0.02 2 819 81 81 ASN HD22 H 7.564 0.02 2 820 81 81 ASN C C 173.794 0.2 1 821 81 81 ASN CA C 55.273 0.2 1 822 81 81 ASN CB C 37.960 0.2 1 823 81 81 ASN N N 108.129 0.2 1 824 81 81 ASN ND2 N 113.496 0.2 1 825 82 82 ARG H H 7.904 0.02 1 826 82 82 ARG HA H 4.618 0.02 1 827 82 82 ARG HB2 H 1.802 0.02 2 828 82 82 ARG HB3 H 1.826 0.02 2 829 82 82 ARG HG2 H 1.640 0.02 2 830 82 82 ARG HG3 H 1.678 0.02 2 831 82 82 ARG HD2 H 3.244 0.02 2 832 82 82 ARG HD3 H 3.244 0.02 2 833 82 82 ARG C C 174.085 0.2 1 834 82 82 ARG CA C 54.761 0.2 1 835 82 82 ARG CB C 32.504 0.2 1 836 82 82 ARG CG C 27.181 0.2 1 837 82 82 ARG CD C 43.421 0.2 1 838 82 82 ARG N N 120.865 0.2 1 839 83 83 GLU H H 8.543 0.02 1 840 83 83 GLU HA H 4.552 0.02 1 841 83 83 GLU HB2 H 1.867 0.02 2 842 83 83 GLU HB3 H 1.845 0.02 2 843 83 83 GLU HG2 H 1.983 0.02 2 844 83 83 GLU HG3 H 2.182 0.02 2 845 83 83 GLU C C 176.269 0.2 1 846 83 83 GLU CA C 56.185 0.2 1 847 83 83 GLU CB C 30.155 0.2 1 848 83 83 GLU CG C 36.631 0.2 1 849 83 83 GLU N N 123.840 0.2 1 850 84 84 ILE H H 8.820 0.02 1 851 84 84 ILE HA H 4.671 0.02 1 852 84 84 ILE HB H 1.931 0.02 1 853 84 84 ILE HG12 H 1.006 0.02 1 854 84 84 ILE HG13 H 1.624 0.02 1 855 84 84 ILE HG2 H 1.130 0.02 1 856 84 84 ILE HD1 H 0.675 0.02 1 857 84 84 ILE C C 174.269 0.2 1 858 84 84 ILE CA C 55.191 0.2 1 859 84 84 ILE CB C 37.439 0.2 1 860 84 84 ILE CG1 C 26.622 0.2 1 861 84 84 ILE CG2 C 16.648 0.2 1 862 84 84 ILE CD1 C 9.146 0.2 1 863 84 84 ILE N N 129.567 0.2 1 864 85 85 PRO HA H 4.742 0.02 1 865 85 85 PRO HB2 H 2.062 0.02 2 866 85 85 PRO HB3 H 2.419 0.02 2 867 85 85 PRO HG2 H 2.123 0.02 2 868 85 85 PRO HG3 H 2.234 0.02 2 869 85 85 PRO HD2 H 3.912 0.02 2 870 85 85 PRO HD3 H 4.022 0.02 2 871 85 85 PRO C C 174.839 0.2 1 872 85 85 PRO CA C 63.011 0.2 1 873 85 85 PRO CB C 32.217 0.2 1 874 85 85 PRO CG C 27.505 0.2 1 875 85 85 PRO CD C 51.079 0.2 1 876 86 86 GLU H H 8.767 0.02 1 877 86 86 GLU HA H 4.223 0.02 1 878 86 86 GLU HB2 H 1.912 0.02 2 879 86 86 GLU HB3 H 1.944 0.02 2 880 86 86 GLU HG2 H 1.895 0.02 2 881 86 86 GLU HG3 H 2.063 0.02 2 882 86 86 GLU C C 177.275 0.2 1 883 86 86 GLU CA C 56.921 0.2 1 884 86 86 GLU CB C 30.697 0.2 1 885 86 86 GLU CG C 36.634 0.2 1 886 86 86 GLU N N 123.157 0.2 1 887 87 87 ILE H H 8.187 0.02 1 888 87 87 ILE HA H 4.290 0.02 1 889 87 87 ILE HB H 1.848 0.02 1 890 87 87 ILE HG12 H 1.187 0.02 1 891 87 87 ILE HG13 H 1.432 0.02 1 892 87 87 ILE HG2 H 0.939 0.02 1 893 87 87 ILE HD1 H 0.860 0.02 1 894 87 87 ILE C C 175.529 0.2 1 895 87 87 ILE CA C 61.064 0.2 1 896 87 87 ILE CB C 38.929 0.2 1 897 87 87 ILE CG1 C 27.185 0.2 1 898 87 87 ILE CG2 C 17.812 0.2 1 899 87 87 ILE CD1 C 13.225 0.2 1 900 87 87 ILE N N 120.697 0.2 1 901 88 88 ALA H H 8.406 0.02 1 902 88 88 ALA HA H 4.413 0.02 1 903 88 88 ALA HB H 1.419 0.02 1 904 88 88 ALA C C 176.932 0.2 1 905 88 88 ALA CA C 52.595 0.2 1 906 88 88 ALA CB C 19.513 0.2 1 907 88 88 ALA N N 128.306 0.2 1 908 89 89 SER H H 7.907 0.02 1 909 89 89 SER HA H 4.234 0.02 1 910 89 89 SER HB2 H 3.829 0.02 2 911 89 89 SER HB3 H 3.829 0.02 2 912 89 89 SER C C 178.723 0.2 1 913 89 89 SER CA C 59.843 0.2 1 914 89 89 SER CB C 64.966 0.2 1 915 89 89 SER N N 121.218 0.2 1 stop_ save_