data_26593 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Obscurin Ig59 ; _BMRB_accession_number 26593 _BMRB_flat_file_name bmr26593.str _Entry_type original _Submission_date 2015-06-25 _Accession_date 2015-06-25 _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 Caldwell Tracy A. . 2 Wright Nathan T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 442 "13C chemical shifts" 356 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 original BMRB . stop_ _Original_release_date 2016-07-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of Ig59 ; _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 Caldwell Tracy A. . 2 Wright Nathan T. . 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 'Obscurin Ig59' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Obscurin Ig59' $Obscurin_Ig59 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'cytoskeletal protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Obscurin_Ig59 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Obscurin_Ig59 _Molecular_mass . _Mol_thiol_state unknown loop_ _Biological_function 'cytoskeletal protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; WRLEILELLKNAAVRAGAQA RFTCTLSEAVPVGEASWYIN GAAVQPDDSDWTVTADGSHQ ALLLRSAQPHHAGEVTFACR DAVASARLTVLGLPDGLEHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 TRP 2 2 ARG 3 3 LEU 4 4 GLU 5 5 ILE 6 6 LEU 7 7 GLU 8 8 LEU 9 9 LEU 10 10 LYS 11 11 ASN 12 12 ALA 13 13 ALA 14 14 VAL 15 15 ARG 16 16 ALA 17 17 GLY 18 18 ALA 19 19 GLN 20 20 ALA 21 21 ARG 22 22 PHE 23 23 THR 24 24 CYS 25 25 THR 26 26 LEU 27 27 SER 28 28 GLU 29 29 ALA 30 30 VAL 31 31 PRO 32 32 VAL 33 33 GLY 34 34 GLU 35 35 ALA 36 36 SER 37 37 TRP 38 38 TYR 39 39 ILE 40 40 ASN 41 41 GLY 42 42 ALA 43 43 ALA 44 44 VAL 45 45 GLN 46 46 PRO 47 47 ASP 48 48 ASP 49 49 SER 50 50 ASP 51 51 TRP 52 52 THR 53 53 VAL 54 54 THR 55 55 ALA 56 56 ASP 57 57 GLY 58 58 SER 59 59 HIS 60 60 GLN 61 61 ALA 62 62 LEU 63 63 LEU 64 64 LEU 65 65 ARG 66 66 SER 67 67 ALA 68 68 GLN 69 69 PRO 70 70 HIS 71 71 HIS 72 72 ALA 73 73 GLY 74 74 GLU 75 75 VAL 76 76 THR 77 77 PHE 78 78 ALA 79 79 CYS 80 80 ARG 81 81 ASP 82 82 ALA 83 83 VAL 84 84 ALA 85 85 SER 86 86 ALA 87 87 ARG 88 88 LEU 89 89 THR 90 90 VAL 91 91 LEU 92 92 GLY 93 93 LEU 94 94 PRO 95 95 ASP 96 96 GLY 97 97 LEU 98 98 GLU 99 99 HIS 100 100 HIS 101 101 HIS 102 102 HIS 103 103 HIS 104 104 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 $Obscurin_Ig59 Human 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 $Obscurin_Ig59 'recombinant technology' . Escherichia coli BL21(DE3) pet24A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Ig59 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Obscurin_Ig59 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % '[U-100% 2H]' TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 350 uM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '600 MHz' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details 'TXI probe' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'TXI probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Ig59 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $Ig59 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Ig59 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $Ig59 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Ig59 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Ig59 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Ig59 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Ig59 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $Ig59 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' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect . . . .251449527 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . .101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY $NMRDraw $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H TOCSY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HN(CO)CA' '3D HNCACB' '3D H(CCO)NH' stop_ loop_ _Sample_label $Ig59 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Obscurin Ig59' _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 TRP H H 7.302 0.01 1 2 1 1 TRP HA H 4.614 0.01 1 3 1 1 TRP HB2 H 3.3 0.01 2 4 1 1 TRP HB3 H 2.9 0.01 2 5 1 1 TRP CA C 57.66 0.1 1 6 1 1 TRP CB C 29.23 0.1 1 7 1 1 TRP N N 109.8 0.1 1 8 2 2 ARG HA H 4.4 0.01 1 9 2 2 ARG HB2 H 1.93 0.01 2 10 2 2 ARG C C 176.5 0.1 1 11 2 2 ARG CA C 52.9 0.1 1 12 2 2 ARG CB C 31.8 0.1 1 13 2 2 ARG CG C 27.9 0.1 1 14 2 2 ARG CD C 45.1 0.1 1 15 3 3 LEU H H 8.272 0.01 1 16 3 3 LEU HA H 4.45 0.01 1 17 3 3 LEU HB2 H 1.53 0.01 2 18 3 3 LEU HB3 H 1.53 0.01 2 19 3 3 LEU HG H 1.5 0.01 1 20 3 3 LEU HD1 H 0.85 0.01 2 21 3 3 LEU HD2 H 0.85 0.01 2 22 3 3 LEU C C 177.5 0.1 1 23 3 3 LEU CA C 52.99 0.1 1 24 3 3 LEU CB C 41.63 0.1 1 25 3 3 LEU CG C 26.79 0.1 1 26 3 3 LEU CD1 C 24.9 0.1 2 27 3 3 LEU CD2 C 23.23 0.1 2 28 3 3 LEU N N 119.7 0.1 1 29 4 4 GLU H H 8.438 0.01 1 30 4 4 GLU HA H 3.903 0.01 1 31 4 4 GLU HB2 H 1.94 0.01 2 32 4 4 GLU HB3 H 1.94 0.01 2 33 4 4 GLU HG2 H 2.18 0.01 2 34 4 4 GLU HG3 H 2.18 0.01 2 35 4 4 GLU C C 177.1 0.1 1 36 4 4 GLU CA C 65.23 0.1 1 37 4 4 GLU CB C 29.86 0.1 1 38 4 4 GLU CG C 36.02 0.1 1 39 4 4 GLU N N 122.1 0.1 1 40 5 5 ILE H H 8.798 0.01 1 41 5 5 ILE HA H 4.188 0.01 1 42 5 5 ILE HB H 1.776 0.01 1 43 5 5 ILE HG12 H 1.212 0.01 2 44 5 5 ILE HG13 H 1.212 0.01 2 45 5 5 ILE HG2 H 0.74 0.01 1 46 5 5 ILE HD1 H 0.74 0.01 1 47 5 5 ILE C C 175 0.1 1 48 5 5 ILE CA C 61.76 0.1 1 49 5 5 ILE CB C 37.16 0.1 1 50 5 5 ILE CG1 C 27.12 0.1 1 51 5 5 ILE CG2 C 19.24 0.1 1 52 5 5 ILE CD1 C 13.69 0.1 1 53 5 5 ILE N N 122.1 0.1 1 54 6 6 LEU H H 8.575 0.01 1 55 6 6 LEU HA H 4.289 0.01 1 56 6 6 LEU HB2 H 1.342 0.01 2 57 6 6 LEU HB3 H 1.342 0.01 2 58 6 6 LEU HG H 1.342 0.01 1 59 6 6 LEU HD1 H 0.75 0.01 2 60 6 6 LEU HD2 H 0.75 0.01 2 61 6 6 LEU C C 177.1 0.1 1 62 6 6 LEU CA C 56.13 0.1 1 63 6 6 LEU CB C 42.67 0.1 1 64 6 6 LEU CG C 27.02 0.1 1 65 6 6 LEU CD1 C 25.76 0.1 2 66 6 6 LEU CD2 C 21.97 0.1 2 67 6 6 LEU N N 127.7 0.1 1 68 7 7 GLU H H 7.353 0.01 1 69 7 7 GLU HA H 4.641 0.01 1 70 7 7 GLU HB2 H 1.889 0.01 2 71 7 7 GLU HB3 H 1.889 0.01 2 72 7 7 GLU HG2 H 2.183 0.01 2 73 7 7 GLU HG3 H 2.183 0.01 2 74 7 7 GLU C C 174.3 0.1 1 75 7 7 GLU CA C 55.43 0.1 1 76 7 7 GLU CB C 32.07 0.1 1 77 7 7 GLU CG C 35.64 0.1 1 78 7 7 GLU N N 118.5 0.1 1 79 8 8 LEU H H 8.357 0.01 1 80 8 8 LEU HA H 4.052 0.01 1 81 8 8 LEU HB2 H 1.7 0.01 2 82 8 8 LEU HB3 H 1.7 0.01 2 83 8 8 LEU HD1 H 0.891 0.01 2 84 8 8 LEU HD2 H 0.891 0.01 2 85 8 8 LEU C C 177.2 0.1 1 86 8 8 LEU CA C 55.15 0.1 1 87 8 8 LEU CB C 42.98 0.1 1 88 8 8 LEU CG C 27.62 0.1 1 89 8 8 LEU CD1 C 25.15 0.1 2 90 8 8 LEU CD2 C 23.6 0.1 2 91 8 8 LEU N N 124.4 0.1 1 92 9 9 LEU H H 6.395 0.01 1 93 9 9 LEU HA H 6.42 0.01 1 94 9 9 LEU HB2 H 1.723 0.01 2 95 9 9 LEU HB3 H 1.723 0.01 2 96 9 9 LEU C C 176.7 0.1 1 97 9 9 LEU CA C 55.56 0.1 1 98 9 9 LEU CB C 44.43 0.1 1 99 9 9 LEU CG C 27.63 0.1 1 100 9 9 LEU CD1 C 26.27 0.1 2 101 9 9 LEU CD2 C 24.68 0.1 2 102 9 9 LEU N N 116.9 0.1 1 103 10 10 LYS H H 8.834 0.01 1 104 10 10 LYS HB2 H 1.771 0.01 2 105 10 10 LYS HB3 H 1.771 0.01 2 106 10 10 LYS HG2 H 1.229 0.01 2 107 10 10 LYS HG3 H 1.229 0.01 2 108 10 10 LYS HD2 H 1.65 0.01 2 109 10 10 LYS HD3 H 1.65 0.01 2 110 10 10 LYS HE2 H 3.076 0.01 2 111 10 10 LYS HE3 H 3.076 0.01 2 112 10 10 LYS C C 176.1 0.1 1 113 10 10 LYS CA C 54.69 0.1 1 114 10 10 LYS CB C 34.98 0.1 1 115 10 10 LYS CG C 24.64 0.1 1 116 10 10 LYS CD C 29.05 0.1 1 117 10 10 LYS N N 121.8 0.1 1 118 11 11 ASN H H 8.659 0.01 1 119 11 11 ASN HA H 5.101 0.01 1 120 11 11 ASN HB2 H 2.851 0.01 2 121 11 11 ASN HB3 H 2.851 0.01 2 122 11 11 ASN C C 174.8 0.1 1 123 11 11 ASN CA C 54.09 0.1 1 124 11 11 ASN CB C 38.7 0.1 1 125 11 11 ASN N N 119.4 0.1 1 126 12 12 ALA H H 8.868 0.01 1 127 12 12 ALA HA H 4.872 0.01 1 128 12 12 ALA HB H 1.205 0.01 1 129 12 12 ALA C C 174.8 0.1 1 130 12 12 ALA CA C 51.56 0.1 1 131 12 12 ALA CB C 22.77 0.1 1 132 12 12 ALA N N 122.3 0.1 1 133 13 13 ALA H H 8.48 0.01 1 134 13 13 ALA HA H 5.501 0.01 1 135 13 13 ALA HB H 1.22 0.01 1 136 13 13 ALA C C 176.1 0.1 1 137 13 13 ALA CA C 51.06 0.1 1 138 13 13 ALA CB C 19.75 0.1 1 139 13 13 ALA N N 127.5 0.1 1 140 14 14 VAL H H 8.405 0.01 1 141 14 14 VAL HA H 4.726 0.01 1 142 14 14 VAL HB H 2.104 0.01 1 143 14 14 VAL HG1 H 0.582 0.01 2 144 14 14 VAL HG2 H 0.909 0.01 2 145 14 14 VAL C C 174.1 0.1 1 146 14 14 VAL CA C 58.29 0.1 1 147 14 14 VAL CB C 35.67 0.1 1 148 14 14 VAL CG1 C 20.99 0.1 2 149 14 14 VAL CG2 C 18.79 0.1 2 150 14 14 VAL N N 116.6 0.1 1 151 15 15 ARG H H 8.497 0.01 1 152 15 15 ARG HA H 4.395 0.01 1 153 15 15 ARG HB2 H 1.723 0.01 2 154 15 15 ARG HB3 H 1.723 0.01 2 155 15 15 ARG HG2 H 1.6 0.01 2 156 15 15 ARG HG3 H 1.6 0.01 2 157 15 15 ARG HD2 H 3.16 0.01 2 158 15 15 ARG HD3 H 3.16 0.01 2 159 15 15 ARG C C 175.3 0.1 1 160 15 15 ARG CA C 55.41 0.1 1 161 15 15 ARG CB C 30.48 0.1 1 162 15 15 ARG CG C 27.39 0.1 1 163 15 15 ARG CD C 43.03 0.1 1 164 15 15 ARG N N 122.6 0.1 1 165 16 16 ALA H H 8.001 0.01 1 166 16 16 ALA HA H 3.938 0.01 1 167 16 16 ALA HB H 1.17 0.01 1 168 16 16 ALA C C 178.6 0.1 1 169 16 16 ALA CA C 53.28 0.1 1 170 16 16 ALA CB C 17.31 0.1 1 171 16 16 ALA N N 123 0.1 1 172 17 17 GLY H H 10.25 0.01 1 173 17 17 GLY HA2 H 4.234 0.01 2 174 17 17 GLY HA3 H 4.234 0.01 2 175 17 17 GLY C C 178.7 0.1 1 176 17 17 GLY CA C 44.63 0.1 1 177 17 17 GLY N N 113.1 0.1 1 178 18 18 ALA H H 8.148 0.01 1 179 18 18 ALA HA H 4.599 0.01 1 180 18 18 ALA HB H 1.55 0.01 1 181 18 18 ALA C C 175.7 0.1 1 182 18 18 ALA CA C 51.07 0.1 1 183 18 18 ALA CB C 20.84 0.1 1 184 18 18 ALA N N 124.7 0.1 1 185 19 19 GLN H H 7.864 0.01 1 186 19 19 GLN HA H 4.677 0.01 1 187 19 19 GLN HB2 H 1.92 0.01 2 188 19 19 GLN HB3 H 1.92 0.01 2 189 19 19 GLN HG2 H 2.34 0.01 2 190 19 19 GLN HG3 H 2.34 0.01 2 191 19 19 GLN C C 175.7 0.1 1 192 19 19 GLN CA C 55.1 0.1 1 193 19 19 GLN CB C 30.64 0.1 1 194 19 19 GLN CG C 34.31 0.1 1 195 19 19 GLN N N 116.4 0.1 1 196 20 20 ALA H H 8.229 0.01 1 197 20 20 ALA HA H 4.6 0.01 1 198 20 20 ALA HB H 1.12 0.01 1 199 20 20 ALA C C 174.7 0.1 1 200 20 20 ALA CA C 50.66 0.1 1 201 20 20 ALA CB C 23.25 0.1 1 202 20 20 ALA N N 121.4 0.1 1 203 21 21 ARG H H 8.27 0.01 1 204 21 21 ARG HA H 5.343 0.01 1 205 21 21 ARG HB2 H 2.65 0.01 2 206 21 21 ARG HB3 H 2.65 0.01 2 207 21 21 ARG C C 172.6 0.1 1 208 21 21 ARG CA C 56.8 0.1 1 209 21 21 ARG CB C 29.73 0.1 1 210 21 21 ARG N N 119.5 0.1 1 211 22 22 PHE H H 9.245 0.01 1 212 22 22 PHE HA H 57.11 0.01 1 213 22 22 PHE HB2 H 2.93 0.01 2 214 22 22 PHE HB3 H 3.22 0.01 2 215 22 22 PHE C C 173.7 0.1 1 216 22 22 PHE CA C 57.11 0.1 1 217 22 22 PHE CB C 42.18 0.1 1 218 22 22 PHE N N 127.3 0.1 1 219 23 23 THR H H 8.836 0.01 1 220 23 23 THR HA H 5.54 0.01 1 221 23 23 THR HB H 4.26 0.01 1 222 23 23 THR HG2 H 1.14 0.01 1 223 23 23 THR C C 173.6 0.1 1 224 23 23 THR CA C 59.47 0.1 1 225 23 23 THR CB C 72 0.1 1 226 23 23 THR CG2 C 21.61 0.1 1 227 23 23 THR N N 113.2 0.1 1 228 24 24 CYS H H 8.813 0.01 1 229 24 24 CYS HA H 4.861 0.01 1 230 24 24 CYS HB2 H 2.537 0.01 2 231 24 24 CYS HB3 H 2.308 0.01 2 232 24 24 CYS C C 173.3 0.1 1 233 24 24 CYS CA C 56.63 0.1 1 234 24 24 CYS CB C 30.7 0.1 1 235 24 24 CYS N N 116.7 0.1 1 236 25 25 THR H H 7.85 0.01 1 237 25 25 THR HA H 5.312 0.01 1 238 25 25 THR HB H 3.835 0.01 1 239 25 25 THR HG2 H 1.13 0.01 1 240 25 25 THR C C 173.3 0.1 1 241 25 25 THR CA C 5.312 0.1 1 242 25 25 THR CB C 71.12 0.1 1 243 25 25 THR CG2 C 21.84 0.1 1 244 25 25 THR N N 117.1 0.1 1 245 26 26 LEU H H 9.24 0.01 1 246 26 26 LEU HA H 5.171 0.01 1 247 26 26 LEU HB2 H 2.323 0.01 2 248 26 26 LEU HB3 H 2.323 0.01 2 249 26 26 LEU HG H 1.773 0.01 1 250 26 26 LEU HD1 H 0.95 0.01 2 251 26 26 LEU HD2 H 0.78 0.01 2 252 26 26 LEU C C 176.8 0.1 1 253 26 26 LEU CA C 53.28 0.1 1 254 26 26 LEU CB C 45.49 0.1 1 255 26 26 LEU CG C 23.74 0.1 1 256 26 26 LEU CD1 C 26.74 0.1 2 257 26 26 LEU CD2 C 27.45 0.1 2 258 26 26 LEU N N 126.5 0.1 1 259 27 27 SER H H 8.639 0.01 1 260 27 27 SER HA H 4.3 0.01 1 261 27 27 SER HB2 H 3.75 0.01 2 262 27 27 SER HB3 H 3.75 0.01 2 263 27 27 SER C C 176.8 0.1 1 264 27 27 SER CA C 60.21 0.1 1 265 27 27 SER CB C 62.82 0.1 1 266 27 27 SER N N 112.1 0.1 1 267 28 28 GLU H H 7.145 0.01 1 268 28 28 GLU HA H 4.554 0.01 1 269 28 28 GLU HB2 H 1.779 0.01 2 270 28 28 GLU HB3 H 1.779 0.01 2 271 28 28 GLU HG2 H 2.051 0.01 2 272 28 28 GLU HG3 H 2.051 0.01 2 273 28 28 GLU C C 173.3 0.1 1 274 28 28 GLU CA C 54.43 0.1 1 275 28 28 GLU CB C 33.62 0.1 1 276 28 28 GLU CG C 35.39 0.1 1 277 28 28 GLU N N 117.1 0.1 1 278 29 29 ALA H H 8.439 0.01 1 279 29 29 ALA HA H 4.06 0.01 1 280 29 29 ALA HB H 1.287 0.01 1 281 29 29 ALA C C 176.3 0.1 1 282 29 29 ALA CA C 51.94 0.1 1 283 29 29 ALA CB C 17.89 0.1 1 284 29 29 ALA N N 122.1 0.1 1 285 30 30 VAL H H 7.818 0.01 1 286 30 30 VAL HA H 4.124 0.01 1 287 30 30 VAL HB H 2.033 0.01 1 288 30 30 VAL HG1 H 0.906 0.01 2 289 30 30 VAL HG2 H 0.906 0.01 2 290 30 30 VAL C C 176.3 0.1 1 291 30 30 VAL CA C 58.78 0.1 1 292 30 30 VAL CB C 33.07 0.1 1 293 30 30 VAL CG1 C 33.07 0.1 2 294 30 30 VAL CG2 C 33.07 0.1 2 295 30 30 VAL N N 120.1 0.1 1 296 31 31 PRO HA H 4.35 0.01 1 297 31 31 PRO C C 176.3 0.1 1 298 31 31 PRO CA C 63.1 0.1 1 299 31 31 PRO CB C 34.6 0.1 1 300 31 31 PRO CG C 28.4 0.1 1 301 31 31 PRO CD C 50.5 0.1 1 302 32 32 VAL H H 8.596 0.01 1 303 32 32 VAL HA H 4.627 0.01 1 304 32 32 VAL C C 176.5 0.1 1 305 32 32 VAL CA C 54.74 0.1 1 306 32 32 VAL CB C 41.46 0.1 1 307 32 32 VAL N N 121.3 0.1 1 308 33 33 GLY H H 8.077 0.01 1 309 33 33 GLY HA2 H 5.423 0.01 2 310 33 33 GLY HA3 H 5.423 0.01 2 311 33 33 GLY C C 175.1 0.1 1 312 33 33 GLY CA C 46.59 0.1 1 313 33 33 GLY N N 120.4 0.1 1 314 34 34 GLU H H 7.765 0.01 1 315 34 34 GLU HA H 4.292 0.01 1 316 34 34 GLU HB2 H 1.816 0.01 2 317 34 34 GLU HB3 H 1.816 0.01 2 318 34 34 GLU HG2 H 2.185 0.01 2 319 34 34 GLU HG3 H 2.185 0.01 2 320 34 34 GLU C C 175.8 0.1 1 321 34 34 GLU CA C 57.72 0.1 1 322 34 34 GLU CB C 30.47 0.1 1 323 34 34 GLU N N 118.4 0.1 1 324 35 35 ALA H H 7.904 0.01 1 325 35 35 ALA HA H 4.378 0.01 1 326 35 35 ALA HB H 1.195 0.01 1 327 35 35 ALA C C 181.3 0.1 1 328 35 35 ALA CA C 50.92 0.1 1 329 35 35 ALA CB C 1.195 0.1 1 330 35 35 ALA N N 123.0 0.1 1 331 36 36 SER H H 8.178 0.01 1 332 36 36 SER HA H 4.605 0.01 1 333 36 36 SER HB2 H 3.406 0.01 2 334 36 36 SER HB3 H 3.406 0.01 2 335 36 36 SER C C 176.4 0.1 1 336 36 36 SER CA C 58.08 0.1 1 337 36 36 SER CB C 66.81 0.1 1 338 36 36 SER N N 116.5 0.1 1 339 37 37 TRP H H 8.093 0.01 1 340 37 37 TRP HA H 5.431 0.01 1 341 37 37 TRP HB2 H 2.85 0.01 2 342 37 37 TRP HB3 H 2.55 0.01 2 343 37 37 TRP C C 175.5 0.1 1 344 37 37 TRP CA C 55.08 0.1 1 345 37 37 TRP CB C 32.25 0.1 1 346 37 37 TRP N N 121.0 0.1 1 347 38 38 TYR H H 9.494 0.01 1 348 38 38 TYR HA H 4.999 0.01 1 349 38 38 TYR HB2 H 2.724 0.01 2 350 38 38 TYR HB3 H 2.246 0.01 2 351 38 38 TYR C C 174.1 0.1 1 352 38 38 TYR CA C 56.09 0.1 1 353 38 38 TYR CB C 41.96 0.1 1 354 38 38 TYR N N 118.7 0.1 1 355 39 39 ILE H H 8.72 0.01 1 356 39 39 ILE HA H 5.154 0.01 1 357 39 39 ILE HB H 1.653 0.01 1 358 39 39 ILE HG12 H 0.866 0.01 2 359 39 39 ILE HG13 H 0.866 0.01 2 360 39 39 ILE HG2 H 0.83 0.01 1 361 39 39 ILE HD1 H 0.29 0.01 1 362 39 39 ILE C C 176.7 0.1 1 363 39 39 ILE CA C 56.76 0.1 1 364 39 39 ILE CB C 38.76 0.1 1 365 39 39 ILE CG1 C 37.43 0.1 1 366 39 39 ILE CG2 C 17.14 0.1 1 367 39 39 ILE CD1 C 12.1 0.1 1 368 39 39 ILE N N 119.0 0.1 1 369 40 40 ASN H H 9.821 0.01 1 370 40 40 ASN HA H 4.532 0.01 1 371 40 40 ASN HB2 H 3.035 0.01 2 372 40 40 ASN HB3 H 3.035 0.01 2 373 40 40 ASN C C 175.7 0.1 1 374 40 40 ASN CA C 54.87 0.1 1 375 40 40 ASN CB C 37.8 0.1 1 376 40 40 ASN N N 127.0 0.1 1 377 41 41 GLY H H 8.629 0.01 1 378 41 41 GLY HA2 H 4.52 0.01 2 379 41 41 GLY HA3 H 4.52 0.01 2 380 41 41 GLY C C 172.8 0.1 1 381 41 41 GLY CA C 45.42 0.1 1 382 41 41 GLY N N 128.1 0.1 1 383 42 42 ALA H H 8.004 0.01 1 384 42 42 ALA HA H 5.003 0.01 1 385 42 42 ALA HB H 1.529 0.01 1 386 42 42 ALA C C 176.7 0.1 1 387 42 42 ALA CA C 50.79 0.1 1 388 42 42 ALA CB C 20.31 0.1 1 389 42 42 ALA N N 125.0 0.1 1 390 43 43 ALA H H 8.741 0.01 1 391 43 43 ALA HA H 4.09 0.01 1 392 43 43 ALA HB H 1.15 0.01 1 393 43 43 ALA C C 178.4 0.1 1 394 43 43 ALA CA C 52.47 0.1 1 395 43 43 ALA CB C 18.13 0.1 1 396 43 43 ALA N N 111.6 0.1 1 397 44 44 VAL H H 8.291 0.01 1 398 44 44 VAL HA H 3.774 0.01 1 399 44 44 VAL HB H 1.657 0.01 1 400 44 44 VAL HG1 H 0.582 0.01 2 401 44 44 VAL HG2 H 0.276 0.01 2 402 44 44 VAL C C 176.3 0.1 1 403 44 44 VAL CA C 63.46 0.1 1 404 44 44 VAL CB C 31.68 0.1 1 405 44 44 VAL CG1 C 21.27 0.1 2 406 44 44 VAL CG2 C 21.27 0.1 2 407 44 44 VAL N N 124.6 0.1 1 408 45 45 GLN H H 9.233 0.01 1 409 45 45 GLN HA H 4.65 0.01 1 410 45 45 GLN HB2 H 2.017 0.01 2 411 45 45 GLN HB3 H 2.017 0.01 2 412 45 45 GLN HG2 H 2.519 0.01 2 413 45 45 GLN HG3 H 2.519 0.01 2 414 45 45 GLN C C 175.7 0.1 1 415 45 45 GLN CA C 53.49 0.1 1 416 45 45 GLN CB C 28.71 0.1 1 417 45 45 GLN N N 129.7 0.1 1 418 46 46 PRO HA H 4.44 0.01 1 419 46 46 PRO HB2 H 2.41 0.01 2 420 46 46 PRO HB3 H 2.41 0.01 2 421 46 46 PRO HG2 H 2 0.01 2 422 46 46 PRO HG3 H 2 0.01 2 423 46 46 PRO HD2 H 3.82 0.01 2 424 46 46 PRO HD3 H 3.82 0.01 2 425 46 46 PRO C C 176.3 0.1 1 426 46 46 PRO CA C 64.5 0.1 1 427 46 46 PRO CB C 31.8 0.1 1 428 46 46 PRO CG C 28.2 0.1 1 429 46 46 PRO CD C 51.3 0.1 1 430 47 47 ASP H H 8.152 0.01 1 431 47 47 ASP HA H 4.66 0.01 1 432 47 47 ASP HB2 H 2.865 0.01 2 433 47 47 ASP HB3 H 2.865 0.01 2 434 47 47 ASP C C 175.6 0.1 1 435 47 47 ASP CA C 53.11 0.1 1 436 47 47 ASP CB C 39.66 0.1 1 437 47 47 ASP N N 114.6 0.1 1 438 48 48 ASP H H 7.62 0.01 1 439 48 48 ASP HA H 4.629 0.01 1 440 48 48 ASP HB2 H 3.311 0.01 2 441 48 48 ASP HB3 H 2.902 0.01 2 442 48 48 ASP C C 176.8 0.1 1 443 48 48 ASP CA C 55.07 0.1 1 444 48 48 ASP CB C 42.47 0.1 1 445 48 48 ASP N N 121.7 0.1 1 446 49 49 SER H H 8.584 0.01 1 447 49 49 SER HA H 4.331 0.01 1 448 49 49 SER HB2 H 3.891 0.01 2 449 49 49 SER HB3 H 3.981 0.01 2 450 49 49 SER C C 176.8 0.1 1 451 49 49 SER CA C 4.331 0.1 1 452 49 49 SER CB C 63.94 0.1 1 453 49 49 SER N N 119.9 0.1 1 454 50 50 ASP H H 9.076 0.01 1 455 50 50 ASP HA H 4.564 0.01 1 456 50 50 ASP HB2 H 2.6 0.01 2 457 50 50 ASP HB3 H 2 0.01 2 458 50 50 ASP C C 174.9 0.1 1 459 50 50 ASP CA C 56.36 0.1 1 460 50 50 ASP CB C 42.1 0.1 1 461 50 50 ASP N N 122.0 0.1 1 462 51 51 TRP H H 8.068 0.01 1 463 51 51 TRP HA H 5.423 0.01 1 464 51 51 TRP HB2 H 2.82 0.01 2 465 51 51 TRP HB3 H 2.82 0.01 2 466 51 51 TRP HD1 H 7.3 0.01 1 467 51 51 TRP C C 175.1 0.1 1 468 51 51 TRP CA C 55.19 0.1 1 469 51 51 TRP CB C 32.93 0.1 1 470 51 51 TRP N N 120.3 0.1 1 471 52 52 THR H H 9.383 0.01 1 472 52 52 THR HA H 4.61 0.01 1 473 52 52 THR HB H 3.93 0.01 1 474 52 52 THR HG2 H 1.18 0.01 1 475 52 52 THR C C 176.3 0.1 1 476 52 52 THR CA C 62.18 0.1 1 477 52 52 THR CB C 71.71 0.1 1 478 52 52 THR CG2 C 21.62 0.1 1 479 52 52 THR N N 117.7 0.1 1 480 53 53 VAL H H 8.908 0.01 1 481 53 53 VAL HA H 4.565 0.01 1 482 53 53 VAL HB H 2.03 0.01 1 483 53 53 VAL HG1 H 1.11 0.01 2 484 53 53 VAL HG2 H 0.82 0.01 2 485 53 53 VAL C C 173.3 0.1 1 486 53 53 VAL CA C 61.93 0.1 1 487 53 53 VAL CB C 33.65 0.1 1 488 53 53 VAL CG1 C 21.44 0.1 2 489 53 53 VAL CG2 C 22.04 0.1 2 490 53 53 VAL N N 129.6 0.1 1 491 54 54 THR H H 9.256 0.01 1 492 54 54 THR HA H 4.087 0.01 1 493 54 54 THR HB H 4.78 0.01 1 494 54 54 THR HG2 H 1.08 0.01 1 495 54 54 THR C C 173.7 0.1 1 496 54 54 THR CA C 60.69 0.1 1 497 54 54 THR CB C 72.18 0.1 1 498 54 54 THR CG2 C 21.39 0.1 1 499 54 54 THR N N 120.0 0.1 1 500 55 55 ALA H H 8.623 0.01 1 501 55 55 ALA HA H 4.69 0.01 1 502 55 55 ALA HB H 1.21 0.01 1 503 55 55 ALA C C 175.2 0.1 1 504 55 55 ALA CA C 52.43 0.1 1 505 55 55 ALA CB C 21.44 0.1 1 506 55 55 ALA N N 127.0 0.1 1 507 56 56 ASP H H 8.661 0.01 1 508 56 56 ASP HA H 4.45 0.01 1 509 56 56 ASP HB2 H 2.71 0.01 2 510 56 56 ASP HB3 H 2.55 0.01 2 511 56 56 ASP C C 176.2 0.1 1 512 56 56 ASP CA C 52.63 0.1 1 513 56 56 ASP CB C 41.93 0.1 1 514 56 56 ASP N N 123.0 0.1 1 515 57 57 GLY H H 8.852 0.01 1 516 57 57 GLY HA2 H 3.69 0.01 2 517 57 57 GLY HA3 H 3.69 0.01 2 518 57 57 GLY C C 176.4 0.1 1 519 57 57 GLY CA C 47.35 0.1 1 520 57 57 GLY N N 114.1 0.1 1 521 58 58 SER H H 8.231 0.01 1 522 58 58 SER HA H 4.33 0.01 1 523 58 58 SER HB2 H 3.77 0.01 2 524 58 58 SER HB3 H 3.77 0.01 2 525 58 58 SER C C 174.1 0.1 1 526 58 58 SER CA C 59.01 0.1 1 527 58 58 SER CB C 63.95 0.1 1 528 58 58 SER N N 115.9 0.1 1 529 59 59 HIS H H 8.14 0.01 1 530 59 59 HIS HA H 5.12 0.01 1 531 59 59 HIS HB2 H 3.28 0.01 2 532 59 59 HIS HB3 H 3.28 0.01 2 533 59 59 HIS C C 173.4 0.1 1 534 59 59 HIS CA C 56.48 0.1 1 535 59 59 HIS CB C 30.38 0.1 1 536 59 59 HIS N N 122.6 0.1 1 537 60 60 GLN H H 8.759 0.01 1 538 60 60 GLN HA H 4.92 0.01 1 539 60 60 GLN HB2 H 2.81 0.01 2 540 60 60 GLN HB3 H 3.39 0.01 2 541 60 60 GLN C C 174.1 0.1 1 542 60 60 GLN CA C 56.62 0.1 1 543 60 60 GLN CB C 36.06 0.1 1 544 60 60 GLN N N 126.0 0.1 1 545 61 61 ALA H H 8.916 0.01 1 546 61 61 ALA HA H 5.52 0.01 1 547 61 61 ALA HB H 1.23 0.01 1 548 61 61 ALA C C 172.9 0.1 1 549 61 61 ALA CA C 51.54 0.1 1 550 61 61 ALA CB C 23.31 0.1 1 551 61 61 ALA N N 124.6 0.1 1 552 62 62 LEU H H 8.516 0.01 1 553 62 62 LEU HA H 4.422 0.01 1 554 62 62 LEU HB2 H 1.42 0.01 2 555 62 62 LEU HB3 H 1.69 0.01 2 556 62 62 LEU HG H 1.8 0.01 1 557 62 62 LEU HD1 H 0.77 0.01 2 558 62 62 LEU HD2 H 0.77 0.01 2 559 62 62 LEU C C 174.2 0.1 1 560 62 62 LEU CA C 53.24 0.1 1 561 62 62 LEU CB C 42.92 0.1 1 562 62 62 LEU CG C 26.88 0.1 1 563 62 62 LEU N N 122.9 0.1 1 564 63 63 LEU H H 9.006 0.01 1 565 63 63 LEU HA H 5.073 0.01 1 566 63 63 LEU HB2 H 1.45 0.01 2 567 63 63 LEU HB3 H 1.7 0.01 2 568 63 63 LEU HD1 H 0.74 0.01 2 569 63 63 LEU HD2 H 0.28 0.01 2 570 63 63 LEU C C 174.4 0.1 1 571 63 63 LEU CA C 53.74 0.1 1 572 63 63 LEU CB C 45.16 0.1 1 573 63 63 LEU CG C 27.66 0.1 1 574 63 63 LEU CD1 C 25.18 0.1 2 575 63 63 LEU CD2 C 24.77 0.1 2 576 63 63 LEU N N 128.0 0.1 1 577 64 64 LEU H H 9.006 0.01 1 578 64 64 LEU HA H 4.256 0.01 1 579 64 64 LEU HB2 H 1.429 0.01 2 580 64 64 LEU HB3 H 1.429 0.01 2 581 64 64 LEU HG H 0.72 0.01 1 582 64 64 LEU HD1 H 0.5 0.01 2 583 64 64 LEU HD2 H 0.19 0.01 2 584 64 64 LEU C C 175.6 0.1 1 585 64 64 LEU CA C 52.55 0.1 1 586 64 64 LEU CB C 43.06 0.1 1 587 64 64 LEU N N 128.8 0.1 1 588 65 65 ARG H H 7.908 0.01 1 589 65 65 ARG HA H 3.789 0.01 1 590 65 65 ARG HB2 H 1.7 0.01 2 591 65 65 ARG HB3 H 1.7 0.01 2 592 65 65 ARG HG2 H 2.47 0.01 2 593 65 65 ARG HG3 H 2.47 0.01 2 594 65 65 ARG HD2 H 3.14 0.01 2 595 65 65 ARG HD3 H 3.14 0.01 2 596 65 65 ARG C C 176 0.1 1 597 65 65 ARG CA C 59.74 0.1 1 598 65 65 ARG CB C 29.86 0.1 1 599 65 65 ARG CG C 27.49 0.1 1 600 65 65 ARG CD C 42.9 0.1 1 601 65 65 ARG N N 125.0 0.1 1 602 66 66 SER H H 7.117 0.01 1 603 66 66 SER HA H 3.882 0.01 1 604 66 66 SER HB2 H 3.541 0.01 2 605 66 66 SER HB3 H 3.541 0.01 2 606 66 66 SER C C 173.5 0.1 1 607 66 66 SER CA C 56.45 0.1 1 608 66 66 SER CB C 62.22 0.1 1 609 66 66 SER N N 110.4 0.1 1 610 67 67 ALA H H 8.918 0.01 1 611 67 67 ALA HA H 4.15 0.01 1 612 67 67 ALA HB H 1.128 0.01 1 613 67 67 ALA C C 176.8 0.1 1 614 67 67 ALA CA C 53.2 0.1 1 615 67 67 ALA CB C 19.88 0.1 1 616 67 67 ALA N N 129.9 0.1 1 617 68 68 GLN H H 11.48 0.01 1 618 68 68 GLN HA H 4.52 0.01 1 619 68 68 GLN HB2 H 2.04 0.01 2 620 68 68 GLN HB3 H 2.04 0.01 2 621 68 68 GLN CA C 52.66 0.1 1 622 68 68 GLN CB C 29.16 0.1 1 623 68 68 GLN CG C 19.88 0.1 1 624 68 68 GLN N N 125.9 0.1 1 625 69 69 PRO HA H 4.6 0.01 1 626 69 69 PRO HB2 H 2.61 0.01 2 627 70 70 HIS H H 7.981 0.01 1 628 70 70 HIS HA H 4.693 0.01 1 629 70 70 HIS HB2 H 3.3 0.01 2 630 70 70 HIS HB3 H 3.3 0.01 2 631 70 70 HIS C C 176.2 0.1 1 632 70 70 HIS CA C 57.37 0.1 1 633 70 70 HIS CB C 29.16 0.1 1 634 70 70 HIS N N 121.6 0.1 1 635 71 71 HIS H H 7.942 0.01 1 636 71 71 HIS HA H 4.542 0.01 1 637 71 71 HIS HB2 H 2.938 0.01 2 638 71 71 HIS HB3 H 2.938 0.01 2 639 71 71 HIS C C 173.1 0.1 1 640 71 71 HIS CA C 58.51 0.1 1 641 71 71 HIS CB C 32.79 0.1 1 642 71 71 HIS N N 122.2 0.1 1 643 72 72 ALA H H 6.784 0.01 1 644 72 72 ALA HA H 3.879 0.01 1 645 72 72 ALA HB H 1.608 0.01 1 646 72 72 ALA C C 177.5 0.1 1 647 72 72 ALA CA C 52.77 0.1 1 648 72 72 ALA CB C 20.28 0.1 1 649 72 72 ALA N N 114.2 0.1 1 650 73 73 GLY H H 5.141 0.01 1 651 73 73 GLY HA2 H 5.141 0.01 2 652 73 73 GLY HA3 H 5.141 0.01 2 653 73 73 GLY C C 177.5 0.1 1 654 73 73 GLY CA C 45.18 0.1 1 655 73 73 GLY N N 107.9 0.1 1 656 74 74 GLU H H 8.268 0.01 1 657 74 74 GLU HA H 4.52 0.01 1 658 74 74 GLU HB2 H 1.87 0.01 2 659 74 74 GLU HB3 H 1.87 0.01 2 660 74 74 GLU HG2 H 2.02 0.01 2 661 74 74 GLU HG3 H 2.02 0.01 2 662 74 74 GLU C C 174.9 0.1 1 663 74 74 GLU CA C 55.93 0.1 1 664 74 74 GLU CB C 32.4 0.1 1 665 74 74 GLU CG C 40.7 0.1 1 666 74 74 GLU N N 122.6 0.1 1 667 75 75 VAL H H 9.261 0.01 1 668 75 75 VAL HA H 4.699 0.01 1 669 75 75 VAL HB H 1.23 0.01 1 670 75 75 VAL HG1 H 1.23 0.01 2 671 75 75 VAL HG2 H 0.42 0.01 2 672 75 75 VAL C C 174.8 0.1 1 673 75 75 VAL CA C 61.08 0.1 1 674 75 75 VAL CB C 33.52 0.1 1 675 75 75 VAL CG1 C 20.32 0.1 2 676 75 75 VAL CG2 C 20.32 0.1 2 677 75 75 VAL N N 131.8 0.1 1 678 76 76 THR H H 9.121 0.01 1 679 76 76 THR HA H 5.18 0.01 1 680 76 76 THR HB H 3.78 0.01 1 681 76 76 THR HG2 H 0.96 0.01 1 682 76 76 THR C C 183.7 0.1 1 683 76 76 THR CA C 5.18 0.1 1 684 76 76 THR CB C 72.23 0.1 1 685 76 76 THR CG2 C 22.04 0.1 1 686 76 76 THR N N 121.4 0.1 1 687 77 77 PHE H H 9.086 0.01 1 688 77 77 PHE HA H 4.54 0.01 1 689 77 77 PHE HB2 H 2.161 0.01 2 690 77 77 PHE HB3 H 2.161 0.01 2 691 77 77 PHE C C 184.3 0.1 1 692 77 77 PHE CA C 56.09 0.1 1 693 77 77 PHE CB C 2.161 0.1 1 694 77 77 PHE N N 127.6 0.1 1 695 78 78 ALA H H 8.035 0.01 1 696 78 78 ALA HA H 4.776 0.01 1 697 78 78 ALA HB H 1.09 0.01 1 698 78 78 ALA C C 175.6 0.1 1 699 78 78 ALA CA C 50.14 0.1 1 700 78 78 ALA CB C 1.09 0.1 1 701 78 78 ALA N N 127.7 0.1 1 702 79 79 CYS H H 9.287 0.01 1 703 79 79 CYS HA H 3.748 0.01 1 704 79 79 CYS HB2 H 2.94 0.01 2 705 79 79 CYS HB3 H 3.21 0.01 2 706 79 79 CYS C C 175.7 0.1 1 707 79 79 CYS CA C 51.8 0.1 1 708 79 79 CYS CB C 31.41 0.1 1 709 79 79 CYS N N 125.9 0.1 1 710 80 80 ARG HA H 4.35 0.01 1 711 80 80 ARG HB2 H 1.51 0.01 2 712 80 80 ARG HB3 H 1.51 0.01 2 713 80 80 ARG HG2 H 1.76 0.01 2 714 80 80 ARG HG3 H 1.76 0.01 2 715 80 80 ARG HD2 H 3.05 0.01 2 716 80 80 ARG HD3 H 3.05 0.01 2 717 80 80 ARG CA C 56.3 0.1 1 718 80 80 ARG CB C 31 0.1 1 719 80 80 ARG CG C 27.4 0.1 1 720 80 80 ARG CD C 44 0.1 1 721 81 81 ASP H H 8.832 0.01 1 722 81 81 ASP HA H 4.12 0.01 1 723 81 81 ASP HB2 H 2.74 0.01 2 724 81 81 ASP HB3 H 2.35 0.01 2 725 81 81 ASP CA C 55.17 0.1 1 726 81 81 ASP CB C 43.25 0.1 1 727 81 81 ASP N N 127.7 0.1 1 728 82 82 ALA H H 8.638 0.01 1 729 82 82 ALA HA H 4.32 0.01 1 730 82 82 ALA HB H 1.35 0.01 1 731 82 82 ALA C C 177.3 0.1 1 732 82 82 ALA CA C 52.42 0.1 1 733 82 82 ALA CB C 19.17 0.1 1 734 82 82 ALA N N 130.1 0.1 1 735 83 83 VAL H H 8.026 0.01 1 736 83 83 VAL HA H 4.332 0.01 1 737 83 83 VAL HB H 1.573 0.01 1 738 83 83 VAL HG1 H 0.899 0.01 2 739 83 83 VAL HG2 H 0.899 0.01 2 740 83 83 VAL C C 174.4 0.1 1 741 83 83 VAL CB C 32.59 0.1 1 742 83 83 VAL CG1 C 22.22 0.1 2 743 83 83 VAL CG2 C 22.22 0.1 2 744 83 83 VAL N N 121.1 0.1 1 745 84 84 ALA H H 9.102 0.01 1 746 84 84 ALA HA H 4.54 0.01 1 747 84 84 ALA HB H 1.507 0.01 1 748 84 84 ALA C C 174.6 0.1 1 749 84 84 ALA CA C 51.47 0.1 1 750 84 84 ALA CB C 1.507 0.1 1 751 84 84 ALA N N 127.7 0.1 1 752 85 85 SER H H 8.437 0.01 1 753 85 85 SER HA H 5.83 0.01 1 754 85 85 SER HB2 H 3.726 0.01 2 755 85 85 SER HB3 H 3.726 0.01 2 756 85 85 SER C C 173 0.1 1 757 85 85 SER CA C 57.2 0.1 1 758 85 85 SER CB C 67.35 0.1 1 759 85 85 SER N N 113.5 0.1 1 760 86 86 ALA H H 9.42 0.01 1 761 86 86 ALA HA H 4.656 0.01 1 762 86 86 ALA HB H 1.417 0.01 1 763 86 86 ALA C C 174.3 0.1 1 764 86 86 ALA CA C 51.72 0.1 1 765 86 86 ALA CB C 23.18 0.1 1 766 86 86 ALA N N 124.9 0.1 1 767 87 87 ARG H H 8.742 0.01 1 768 87 87 ARG HA H 5.159 0.01 1 769 87 87 ARG HB2 H 1.685 0.01 2 770 87 87 ARG HB3 H 1.685 0.01 2 771 87 87 ARG HD2 H 3.168 0.01 2 772 87 87 ARG HD3 H 3.168 0.01 2 773 87 87 ARG C C 175 0.1 1 774 87 87 ARG CA C 54.9 0.1 1 775 87 87 ARG CB C 32.74 0.1 1 776 87 87 ARG CG C 27.2 0.1 1 777 87 87 ARG CD C 42.67 0.1 1 778 87 87 ARG N N 118.4 0.1 1 779 88 88 LEU H H 9.28 0.01 1 780 88 88 LEU HA H 5.564 0.01 1 781 88 88 LEU HB2 H 2.124 0.01 2 782 88 88 LEU HB3 H 2.124 0.01 2 783 88 88 LEU HG H 0.9 0.01 1 784 88 88 LEU HD1 H 0.698 0.01 2 785 88 88 LEU HD2 H 0.27 0.01 2 786 88 88 LEU C C 176 0.1 1 787 88 88 LEU CA C 53.88 0.1 1 788 88 88 LEU CB C 43.86 0.1 1 789 88 88 LEU CG C 21.93 0.1 1 790 88 88 LEU CD1 C 27.18 0.1 2 791 88 88 LEU CD2 C 23.29 0.1 2 792 88 88 LEU N N 125.7 0.1 1 793 89 89 THR H H 9.254 0.01 1 794 89 89 THR HA H 4.564 0.01 1 795 89 89 THR HB H 3.986 0.01 1 796 89 89 THR HG2 H 1.209 0.01 1 797 89 89 THR C C 172.3 0.1 1 798 89 89 THR CA C 62.18 0.1 1 799 89 89 THR CB C 70.77 0.1 1 800 89 89 THR CG2 C 21.45 0.1 1 801 89 89 THR N N 125.7 0.1 1 802 90 90 VAL H H 8.445 0.01 1 803 90 90 VAL HA H 4.609 0.01 1 804 90 90 VAL HB H 1.822 0.01 1 805 90 90 VAL HG1 H 0.601 0.01 2 806 90 90 VAL HG2 H 0.601 0.01 2 807 90 90 VAL C C 175.2 0.1 1 808 90 90 VAL CA C 61.18 0.1 1 809 90 90 VAL CB C 33.15 0.1 1 810 90 90 VAL CG1 C 19.92 0.1 2 811 90 90 VAL CG2 C 19.92 0.1 2 812 90 90 VAL N N 125.8 0.1 1 813 91 91 LEU H H 9.092 0.01 1 814 91 91 LEU HA H 4.452 0.01 1 815 91 91 LEU HB2 H 1.465 0.01 2 816 91 91 LEU HB3 H 1.465 0.01 2 817 91 91 LEU C C 176.7 0.1 1 818 91 91 LEU CA C 54.24 0.1 1 819 91 91 LEU CB C 43.15 0.1 1 820 91 91 LEU CG C 26.75 0.1 1 821 91 91 LEU CD1 C 24.75 0.1 2 822 91 91 LEU CD2 C 22.82 0.1 2 823 91 91 LEU N N 129.7 0.1 1 824 92 92 GLY H H 8.543 0.01 1 825 92 92 GLY HA2 H 3.952 0.01 2 826 92 92 GLY HA3 H 3.952 0.01 2 827 92 92 GLY C C 173.1 0.1 1 828 92 92 GLY CA C 44.74 0.1 1 829 92 92 GLY N N 110.1 0.1 1 830 93 93 LEU H H 8.266 0.01 1 831 93 93 LEU HA H 4.614 0.01 1 832 93 93 LEU HB2 H 1.6 0.01 2 833 93 93 LEU HB3 H 1.6 0.01 2 834 93 93 LEU HG H 0.941 0.01 1 835 93 93 LEU C C 176.5 0.1 1 836 93 93 LEU CA C 53.02 0.1 1 837 93 93 LEU CB C 41.67 0.1 1 838 93 93 LEU CG C 27.29 0.1 1 839 93 93 LEU CD1 C 50.34 0.1 2 840 93 93 LEU CD2 C 50.34 0.1 2 841 93 93 LEU N N 121.5 0.1 1 842 94 94 PRO HA H 4.36 0.01 1 843 94 94 PRO HB2 H 2.24 0.01 2 844 94 94 PRO HB3 H 2.24 0.01 2 845 94 94 PRO HG2 H 1.92 0.01 2 846 94 94 PRO HG3 H 1.92 0.01 2 847 94 94 PRO HD2 H 3.72 0.01 2 848 94 94 PRO HD3 H 3.72 0.01 2 849 94 94 PRO CA C 63.3 0.1 1 850 94 94 PRO CB C 31.9 0.1 1 851 94 94 PRO CG C 27.9 0.1 1 852 94 94 PRO CD C 51 0.1 1 853 95 95 ASP H H 8.363 0.01 1 854 95 95 ASP HA H 4.559 0.01 1 855 95 95 ASP HB2 H 2.685 0.01 2 856 95 95 ASP HB3 H 2.865 0.01 2 857 95 95 ASP C C 176.6 0.1 1 858 95 95 ASP CA C 54.58 0.1 1 859 95 95 ASP CB C 41.27 0.1 1 860 95 95 ASP N N 8.363 0.1 1 861 96 96 GLY H H 8.361 0.01 1 862 96 96 GLY HA2 H 3.961 0.01 2 863 96 96 GLY HA3 H 3.961 0.01 2 864 96 96 GLY C C 174.2 0.1 1 865 96 96 GLY CA C 45.55 0.1 1 866 96 96 GLY N N 109.3 0.1 1 867 97 97 LEU H H 8.061 0.01 1 868 97 97 LEU HA H 4.321 0.01 1 869 97 97 LEU HB2 H 1.573 0.01 2 870 97 97 LEU HB3 H 1.573 0.01 2 871 97 97 LEU HG H 0.895 0.01 1 872 97 97 LEU CA C 55.22 0.1 1 873 97 97 LEU CB C 42.9 0.1 1 874 97 97 LEU N N 121.3 0.1 1 875 98 98 GLU H H 8.428 0.01 1 876 98 98 GLU HA H 4.661 0.01 1 877 98 98 GLU HB2 H 1.722 0.01 2 878 98 98 GLU HB3 H 1.722 0.01 2 879 98 98 GLU HG2 H 2.13 0.01 2 880 98 98 GLU HG3 H 2.13 0.01 2 881 98 98 GLU C C 175.5 0.1 1 882 98 98 GLU N N 123.8 0.01 1 883 100 100 HIS H H 8.101 0.01 1 884 100 100 HIS N N 123.1 0.1 1 885 104 104 HIS H H 7.889 0.01 1 886 104 104 HIS HA H 4.164 0.01 1 887 104 104 HIS HB2 H 2.189 0.01 2 888 104 104 HIS HB3 H 2.189 0.01 2 889 104 104 HIS C C 180.9 0.1 1 890 104 104 HIS CA C 57.62 0.1 1 891 104 104 HIS CB C 30.72 0.1 1 892 104 104 HIS N N 125.9 0.1 1 stop_ save_