data_25878 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Holo N-terminal TnC F2 backbone assignment ; _BMRB_accession_number 25878 _BMRB_flat_file_name bmr25878.str _Entry_type original _Submission_date 2015-11-04 _Accession_date 2015-11-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'N-terminus region of Troponin C from Lethocerus' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanfelice Domenico . . 2 Pastore Annalisa . . 3 Bullard Belinda . . 4 Adrover Miguel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 429 "13C chemical shifts" 259 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-19 update BMRB 'update entry citation' 2016-07-22 update BMRB 'update entry citation' 2016-01-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25875 'Backbone assignment of Calcium loaded C-terminus of Troponin C isoform 2' 25879 'Backbone assignment of Apo C-terminal F2-TnC' 25880 'Backbone assignment of N-terminal fragment of F2-TnC from Lethocerus' 25896 'Backbone Assignment of Apo Troponin C from Lethocerus Indicus' 25897 'Holo F2 TnC' stop_ _Original_release_date 2016-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Towards Understanding the Molecular Bases of Stretch Activation: A Structural comparison of the Two Troponin C Isoforms of Lethocerus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27226601 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanfelice Domenico . . 2 Pastore Annalisa . . 3 Bullard Belinda . . 4 Adrover Miguel . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16090 _Page_last 16099 _Year 2016 _Details . loop_ _Keyword 'Calcium binding' 'solution NMR' 'stretch activation' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminus F2 TnC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminus F2 TnC' $Holo_N-term_F2_TnC 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_Holo_N-term_F2_TnC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Holo_N-term_F2_TnC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; MVAMDDLDKDQIALLKRAFE AFAQEKSYIEANMVGTILQM LGHEVSDKQLTEIIVEVDAD GSGQLEFEEFVTLAARFLTE DNEEDSAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 VAL 3 3 ALA 4 4 MET 5 5 ASP 6 6 ASP 7 7 LEU 8 8 ASP 9 9 LYS 10 10 ASP 11 11 GLN 12 12 ILE 13 13 ALA 14 14 LEU 15 15 LEU 16 16 LYS 17 17 ARG 18 18 ALA 19 19 PHE 20 20 GLU 21 21 ALA 22 22 PHE 23 23 ALA 24 24 GLN 25 25 GLU 26 26 LYS 27 27 SER 28 28 TYR 29 29 ILE 30 30 GLU 31 31 ALA 32 32 ASN 33 33 MET 34 34 VAL 35 35 GLY 36 36 THR 37 37 ILE 38 38 LEU 39 39 GLN 40 40 MET 41 41 LEU 42 42 GLY 43 43 HIS 44 44 GLU 45 45 VAL 46 46 SER 47 47 ASP 48 48 LYS 49 49 GLN 50 50 LEU 51 51 THR 52 52 GLU 53 53 ILE 54 54 ILE 55 55 VAL 56 56 GLU 57 57 VAL 58 58 ASP 59 59 ALA 60 60 ASP 61 61 GLY 62 62 SER 63 63 GLY 64 64 GLN 65 65 LEU 66 66 GLU 67 67 PHE 68 68 GLU 69 69 GLU 70 70 PHE 71 71 VAL 72 72 THR 73 73 LEU 74 74 ALA 75 75 ALA 76 76 ARG 77 77 PHE 78 78 LEU 79 79 THR 80 80 GLU 81 81 ASP 82 82 ASN 83 83 GLU 84 84 GLU 85 85 ASP 86 86 SER 87 87 ALA 88 88 ALA 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 $Holo_N-term_F2_TnC 'Lethocerus Indicus' 212017 Eukaryota Metazoa Lethocerus Indicus 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 $Holo_N-term_F2_TnC 'recombinant technology' . Escherichia coli . pet11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM TRIS, 100mM KCl, 2mM DTT pH 6.8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Holo_N-term_F2_TnC . mM 0.5 1.0 '[U-98% 13C; U-98% 15N]' TRIS 20 mM . . 'natural abundance' KCl 100 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' D2O 10 % . . [U-2H] H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.8 . pH pressure 1 . atm temperature 298.2 . 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 acetate C 13 'methyl carbon' ppm 54 internal direct . . . 1 water H 1 protons ppm 4.7 internal direct . . . 1 '[15N] ammonium sulfate' N 15 nitrogen ppm 118 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' 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 'N-terminus F2 TnC' _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 MET C C 176.038 0.000 . 2 1 1 MET CA C 55.735 0.000 . 3 1 1 MET CB C 38.174 0.000 . 4 2 2 VAL H H 8.244 0.000 . 5 2 2 VAL HA H 4.12 0.000 . 6 2 2 VAL HB H 2.024 0.000 . 7 2 2 VAL HG1 H 0.882 0.000 . 8 2 2 VAL HG2 H 0.882 0.000 . 9 2 2 VAL C C 175.334 0.000 . 10 2 2 VAL CA C 62.145 0.000 . 11 2 2 VAL CB C 33.02 0.000 . 12 2 2 VAL N N 122.234 0.000 . 13 3 3 ALA H H 8.576 0.000 . 14 3 3 ALA HA H 4.308 0.000 . 15 3 3 ALA HB H 1.367 0.000 . 16 3 3 ALA C C 177.915 0.000 . 17 3 3 ALA CA C 52.553 0.000 . 18 3 3 ALA CB C 19.658 0.000 . 19 3 3 ALA N N 128.321 0.000 . 20 4 4 MET H H 8.369 0.000 . 21 4 4 MET HA H 4.12 0.000 . 22 4 4 MET HB2 H 1.992 0.000 . 23 4 4 MET HB3 H 1.992 0.000 . 24 4 4 MET HG2 H 2.54 0.000 . 25 4 4 MET HG3 H 2.54 0.000 . 26 4 4 MET C C 176.608 0.000 . 27 4 4 MET CA C 57.052 0.000 . 28 4 4 MET CB C 32.574 0.000 . 29 4 4 MET N N 118.812 0.000 . 30 5 5 ASP H H 8.082 0.000 . 31 5 5 ASP HA H 4.511 0.000 . 32 5 5 ASP HB2 H 2.618 0.000 . 33 5 5 ASP HB3 H 2.561 0.000 . 34 5 5 ASP C C 176.138 0.000 . 35 5 5 ASP CA C 55.158 0.000 . 36 5 5 ASP CB C 40.719 0.000 . 37 5 5 ASP N N 117.281 0.000 . 38 6 6 ASP H H 7.942 0.000 . 39 6 6 ASP HA H 4.62 0.000 . 40 6 6 ASP HB2 H 2.743 0.000 . 41 6 6 ASP HB3 H 2.571 0.000 . 42 6 6 ASP C C 176.138 0.000 . 43 6 6 ASP CA C 54.844 0.000 . 44 6 6 ASP CB C 41.546 0.000 . 45 6 6 ASP N N 118.313 0.000 . 46 7 7 LEU H H 7.59 0.000 . 47 7 7 LEU HA H 4.448 0.000 . 48 7 7 LEU HB2 H 1.711 0.000 . 49 7 7 LEU HB3 H 1.617 0.000 . 50 7 7 LEU HD1 H 0.848 0.000 . 51 7 7 LEU HD2 H 0.686 0.000 . 52 7 7 LEU HG H 1.398 0.000 . 53 7 7 LEU C C 176.351 0.000 . 54 7 7 LEU CA C 54.208 0.000 . 55 7 7 LEU CB C 43.2 0.000 . 56 7 7 LEU N N 120.411 0.000 . 57 8 8 ASP H H 8.663 0.000 . 58 8 8 ASP HA H 4.699 0.000 . 59 8 8 ASP HB2 H 3.009 0.000 . 60 8 8 ASP HB3 H 2.713 0.000 . 61 8 8 ASP C C 177.032 0.000 . 62 8 8 ASP CA C 53.19 0.000 . 63 8 8 ASP CB C 42.182 0.000 . 64 8 8 ASP N N 121.064 0.000 . 65 9 9 LYS H H 8.568 0.000 . 66 9 9 LYS HA H 4.026 0.000 . 67 9 9 LYS HB2 H 1.899 0.000 . 68 9 9 LYS HB3 H 1.899 0.000 . 69 9 9 LYS HD2 H 1.702 0.000 . 70 9 9 LYS HD3 H 1.702 0.000 . 71 9 9 LYS HG2 H 1.527 0.000 . 72 9 9 LYS HG3 H 1.527 0.000 . 73 9 9 LYS C C 179.155 0.000 . 74 9 9 LYS CA C 59.716 0.000 . 75 9 9 LYS CB C 32.129 0.000 . 76 9 9 LYS N N 119.362 0.000 . 77 10 10 ASP H H 8.509 0.000 . 78 10 10 ASP HA H 4.558 0.000 . 79 10 10 ASP HB2 H 2.79 0.000 . 80 10 10 ASP HB3 H 2.689 0.000 . 81 10 10 ASP C C 179.077 0.000 . 82 10 10 ASP CA C 57.198 0.000 . 83 10 10 ASP CB C 40.146 0.000 . 84 10 10 ASP N N 121.099 0.000 . 85 11 11 GLN H H 8.32 0.000 . 86 11 11 GLN HA H 4.135 0.000 . 87 11 11 GLN HB2 H 2.656 0.000 . 88 11 11 GLN HB3 H 2.43 0.000 . 89 11 11 GLN C C 178.63 0.000 . 90 11 11 GLN CA C 58.98 0.000 . 91 11 11 GLN CB C 29.52 0.000 . 92 11 11 GLN N N 122.44 0.000 . 93 12 12 ILE H H 8.238 0.001 . 94 12 12 ILE HA H 3.713 0.000 . 95 12 12 ILE HB H 1.935 0.000 . 96 12 12 ILE HD1 H 0.692 0.000 . 97 12 12 ILE HG12 H 1.393 0.000 . 98 12 12 ILE HG13 H 1.133 0.000 . 99 12 12 ILE HG2 H 0.853 0.000 . 100 12 12 ILE C C 177.502 0.000 . 101 12 12 ILE CA C 64.833 0.000 . 102 12 12 ILE CB C 37.219 0.000 . 103 12 12 ILE N N 119.035 0.000 . 104 13 13 ALA H H 7.877 0.000 . 105 13 13 ALA HA H 4.198 0.000 . 106 13 13 ALA HB H 1.57 0.000 . 107 13 13 ALA C C 180.652 0.000 . 108 13 13 ALA CA C 55.416 0.000 . 109 13 13 ALA CB C 18.195 0.000 . 110 13 13 ALA N N 121.285 0.006 . 111 14 14 LEU H H 7.752 0.000 . 112 14 14 LEU HA H 4.151 0.000 . 113 14 14 LEU HB2 H 1.914 0.000 . 114 14 14 LEU HB3 H 1.914 0.000 . 115 14 14 LEU HD1 H 0.985 0.000 . 116 14 14 LEU HD2 H 0.985 0.000 . 117 14 14 LEU HG H 1.75 0.000 . 118 14 14 LEU C C 179.49 0.000 . 119 14 14 LEU CA C 58.534 0.000 . 120 14 14 LEU CB C 41.991 0.000 . 121 14 14 LEU N N 120.325 0.000 . 122 15 15 LEU H H 8.27 0.000 . 123 15 15 LEU HA H 4.292 0.000 . 124 15 15 LEU HB2 H 2.321 0.000 . 125 15 15 LEU HB3 H 2.321 0.000 . 126 15 15 LEU HD1 H 0.726 0.000 . 127 15 15 LEU HD2 H 0.726 0.000 . 128 15 15 LEU HG H 2.032 0.000 . 129 15 15 LEU C C 179.144 0.000 . 130 15 15 LEU CA C 58.152 0.000 . 131 15 15 LEU CB C 41.546 0.000 . 132 15 15 LEU N N 119.723 0.000 . 133 16 16 LYS H H 9.075 0.000 . 134 16 16 LYS HA H 3.995 0.000 . 135 16 16 LYS HB2 H 1.93 0.000 . 136 16 16 LYS HB3 H 1.93 0.000 . 137 16 16 LYS HD2 H 1.75 0.000 . 138 16 16 LYS HD3 H 1.75 0.000 . 139 16 16 LYS HG2 H 1.557 0.000 . 140 16 16 LYS HG3 H 1.557 0.000 . 141 16 16 LYS C C 178.172 0.000 . 142 16 16 LYS CA C 60.061 0.000 . 143 16 16 LYS CB C 32.32 0.000 . 144 16 16 LYS N N 121.322 0.000 . 145 17 17 ARG H H 7.975 0.002 . 146 17 17 ARG HA H 4.151 0.000 . 147 17 17 ARG HB2 H 2.055 0.000 . 148 17 17 ARG HB3 H 2.055 0.000 . 149 17 17 ARG HD2 H 3.25 0.000 . 150 17 17 ARG HD3 H 3.25 0.000 . 151 17 17 ARG HG2 H 1.706 0.000 . 152 17 17 ARG HG3 H 1.706 0.000 . 153 17 17 ARG C C 179.624 0.000 . 154 17 17 ARG CA C 59.425 0.000 . 155 17 17 ARG CB C 30.411 0.000 . 156 17 17 ARG N N 118.468 0.000 . 157 18 18 ALA H H 8.222 0.000 . 158 18 18 ALA HA H 4.23 0.000 . 159 18 18 ALA HB H 1.678 0.000 . 160 18 18 ALA C C 178.116 0.000 . 161 18 18 ALA CA C 55.226 0.000 . 162 18 18 ALA CB C 18.386 0.000 . 163 18 18 ALA N N 121.924 0.000 . 164 19 19 PHE H H 8.837 0.000 . 165 19 19 PHE HA H 3.604 0.000 . 166 19 19 PHE HB2 H 3.365 0.000 . 167 19 19 PHE HB3 H 3.19 0.000 . 168 19 19 PHE HD1 H 6.754 0.000 . 169 19 19 PHE HD2 H 6.754 0.000 . 170 19 19 PHE HE1 H 7.393 0.000 . 171 19 19 PHE HE2 H 7.393 0.000 . 172 19 19 PHE HZ H 7.125 0.000 . 173 19 19 PHE C C 177.356 0.000 . 174 19 19 PHE CA C 62.161 0.000 . 175 19 19 PHE CB C 40.146 0.000 . 176 19 19 PHE N N 117.505 0.000 . 177 20 20 GLU H H 8.786 0.000 . 178 20 20 GLU HA H 3.885 0.000 . 179 20 20 GLU HB2 H 2.136 0.000 . 180 20 20 GLU HB3 H 2.003 0.000 . 181 20 20 GLU HG2 H 2.314 0.000 . 182 20 20 GLU HG3 H 2.314 0.000 . 183 20 20 GLU C C 179.334 0.000 . 184 20 20 GLU CA C 59.361 0.000 . 185 20 20 GLU CB C 29.393 0.000 . 186 20 20 GLU N N 116.783 0.000 . 187 21 21 ALA H H 7.784 0.000 . 188 21 21 ALA HA H 3.995 0.000 . 189 21 21 ALA HB H 1.32 0.000 . 190 21 21 ALA C C 178.831 0.000 . 191 21 21 ALA CA C 54.78 0.000 . 192 21 21 ALA CB C 17.877 0.000 . 193 21 21 ALA N N 121.271 0.000 . 194 22 22 PHE H H 7.344 0.000 . 195 22 22 PHE HA H 4.354 0.000 . 196 22 22 PHE HB2 H 3.197 0.000 . 197 22 22 PHE HB3 H 2.556 0.000 . 198 22 22 PHE C C 176.731 0.000 . 199 22 22 PHE CA C 59.616 0.000 . 200 22 22 PHE CB C 40.528 0.000 . 201 22 22 PHE N N 114.326 0.000 . 202 23 23 ALA H H 8.628 0.000 . 203 23 23 ALA HA H 3.713 0.000 . 204 23 23 ALA HB H 0.585 0.000 . 205 23 23 ALA C C 179.055 0.000 . 206 23 23 ALA CA C 54.208 0.000 . 207 23 23 ALA CB C 18.704 0.000 . 208 23 23 ALA N N 123.317 0.000 . 209 24 24 GLN H H 7.963 0.000 . 210 24 24 GLN HA H 3.744 0.000 . 211 24 24 GLN HB2 H 2.17 0.000 . 212 24 24 GLN HB3 H 2.042 0.000 . 213 24 24 GLN C C 176.585 0.000 . 214 24 24 GLN CA C 57.325 0.000 . 215 24 24 GLN CB C 26.53 0.000 . 216 24 24 GLN N N 113.302 0.000 . 217 25 25 GLU H H 9.068 0.000 . 218 25 25 GLU HA H 4.182 0.000 . 219 25 25 GLU HB2 H 2.133 0.000 . 220 25 25 GLU HB3 H 2.133 0.000 . 221 25 25 GLU C C 175.513 0.000 . 222 25 25 GLU CA C 57.58 0.000 . 223 25 25 GLU CB C 28.248 0.000 . 224 25 25 GLU N N 119.758 0.000 . 225 26 26 LYS H H 7.899 0.000 . 226 26 26 LYS HA H 4.354 0.000 . 227 26 26 LYS HB2 H 1.789 0.000 . 228 26 26 LYS HB3 H 1.789 0.000 . 229 26 26 LYS HG2 H 1.324 0.000 . 230 26 26 LYS HG3 H 1.324 0.000 . 231 26 26 LYS C C 175.758 0.000 . 232 26 26 LYS CA C 55.735 0.000 . 233 26 26 LYS CB C 33.338 0.000 . 234 26 26 LYS N N 119.551 0.000 . 235 27 27 SER H H 8.293 0.000 . 236 27 27 SER HA H 4.605 0.000 . 237 27 27 SER HB2 H 4.026 0.000 . 238 27 27 SER HB3 H 4.026 0.000 . 239 27 27 SER C C 172.887 0.000 . 240 27 27 SER CA C 58.343 0.000 . 241 27 27 SER CB C 63.879 0.000 . 242 27 27 SER N N 110.856 0.000 . 243 28 28 TYR H H 6.835 0.000 . 244 28 28 TYR HA H 5.566 0.000 . 245 28 28 TYR HB2 H 2.923 0.000 . 246 28 28 TYR HB3 H 2.656 0.000 . 247 28 28 TYR C C 172.753 0.000 . 248 28 28 TYR CA C 55.388 0.000 . 249 28 28 TYR CB C 41.164 0.000 . 250 28 28 TYR N N 115.313 0.000 . 251 29 29 ILE H H 8.312 0.000 . 252 29 29 ILE HA H 4.495 0.000 . 253 29 29 ILE HB H 1.661 0.000 . 254 29 29 ILE HD1 H 0.34 0.000 . 255 29 29 ILE HG2 H 0.919 0.000 . 256 29 29 ILE CA C 58.789 0.000 . 257 29 29 ILE CB C 41.419 0.000 . 258 29 29 ILE N N 111.832 0.000 . 259 30 30 GLU H H 8.361 0.000 . 260 30 30 GLU HA H 4.616 0.000 . 261 30 30 GLU HB2 H 1.914 0.000 . 262 30 30 GLU HB3 H 1.602 0.000 . 263 30 30 GLU HG2 H 2.493 0.000 . 264 30 30 GLU HG3 H 2.389 0.000 . 265 30 30 GLU C C 178.161 0.000 . 266 30 30 GLU CA C 56.116 0.000 . 267 30 30 GLU CB C 30.92 0.000 . 268 30 30 GLU N N 124.039 0.000 . 269 31 31 ALA H H 9.01 0.000 . 270 31 31 ALA HA H 3.859 0.000 . 271 31 31 ALA HB H 1.453 0.000 . 272 31 31 ALA C C 179.222 0.000 . 273 31 31 ALA CA C 55.989 0.000 . 274 31 31 ALA CB C 18.322 0.000 . 275 31 31 ALA N N 124.847 0.000 . 276 32 32 ASN H H 8.565 0.001 . 277 32 32 ASN HA H 4.464 0.000 . 278 32 32 ASN HB2 H 2.97 0.000 . 279 32 32 ASN HB3 H 2.8 0.000 . 280 32 32 ASN C C 176.954 0.000 . 281 32 32 ASN CA C 55.162 0.000 . 282 32 32 ASN CB C 37.219 0.000 . 283 32 32 ASN N N 112.375 0.000 . 284 33 33 MET H H 7.739 0.000 . 285 33 33 MET HA H 4.386 0.000 . 286 33 33 MET HB2 H 2.118 0.000 . 287 33 33 MET HB3 H 1.789 0.000 . 288 33 33 MET HG2 H 2.729 0.000 . 289 33 33 MET HG3 H 2.562 0.000 . 290 33 33 MET C C 177.144 0.000 . 291 33 33 MET CA C 55.989 0.000 . 292 33 33 MET CB C 32.32 0.000 . 293 33 33 MET N N 118.657 0.000 . 294 34 34 VAL H H 7.532 0.000 . 295 34 34 VAL HA H 3.291 0.000 . 296 34 34 VAL HB H 2.255 0.000 . 297 34 34 VAL HG1 H 1.067 0.000 . 298 34 34 VAL HG2 H 0.815 0.000 . 299 34 34 VAL C C 177.289 0.000 . 300 34 34 VAL CA C 67.251 0.000 . 301 34 34 VAL CB C 31.238 0.000 . 302 34 34 VAL N N 119.139 0.000 . 303 35 35 GLY H H 8.72 0.000 . 304 35 35 GLY HA2 H 3.979 0.000 . 305 35 35 GLY HA3 H 3.541 0.000 . 306 35 35 GLY C C 176.295 0.000 . 307 35 35 GLY CA C 47.845 0.000 . 308 35 35 GLY N N 106.851 0.000 . 309 36 36 THR H H 7.668 0.000 . 310 36 36 THR HA H 4.104 0.000 . 311 36 36 THR HB H 3.917 0.000 . 312 36 36 THR HG2 H 1.21 0.000 . 313 36 36 THR C C 176.116 0.000 . 314 36 36 THR CA C 66.551 0.000 . 315 36 36 THR CB C 68.587 0.000 . 316 36 36 THR N N 119.654 0.000 . 317 37 37 ILE H H 7.739 0.000 . 318 37 37 ILE HA H 3.432 0.000 . 319 37 37 ILE HB H 1.664 0.000 . 320 37 37 ILE HD1 H 0.147 0.000 . 321 37 37 ILE HG12 H 1.201 0.000 . 322 37 37 ILE HG13 H 0.874 0.000 . 323 37 37 ILE HG2 H 0.34 0.000 . 324 37 37 ILE C C 177.691 0.000 . 325 37 37 ILE CA C 65.915 0.000 . 326 37 37 ILE CB C 37.919 0.000 . 327 37 37 ILE N N 122.302 0.000 . 328 38 38 LEU H H 8.33 0.000 . 329 38 38 LEU HA H 3.917 0.000 . 330 38 38 LEU HB2 H 1.852 0.000 . 331 38 38 LEU HB3 H 1.684 0.000 . 332 38 38 LEU HD1 H 0.518 0.000 . 333 38 38 LEU HD2 H 0.518 0.000 . 334 38 38 LEU HG H 1.443 0.000 . 335 38 38 LEU C C 179.289 0.000 . 336 38 38 LEU CA C 58.598 0.000 . 337 38 38 LEU CB C 40.019 0.000 . 338 38 38 LEU N N 117.969 0.000 . 339 39 39 GLN H H 8.074 0.000 . 340 39 39 GLN HA H 3.938 0.000 . 341 39 39 GLN HB2 H 2.493 0.000 . 342 39 39 GLN HB3 H 2.258 0.000 . 343 39 39 GLN C C 180.686 0.000 . 344 39 39 GLN CA C 59.761 0.000 . 345 39 39 GLN CB C 28.184 0.000 . 346 39 39 GLN N N 119.225 0.000 . 347 40 40 MET H H 8.162 0.000 . 348 40 40 MET HA H 4.151 0.000 . 349 40 40 MET HB2 H 2.374 0.000 . 350 40 40 MET HB3 H 2.228 0.000 . 351 40 40 MET HG2 H 2.611 0.000 . 352 40 40 MET HG3 H 2.611 0.000 . 353 40 40 MET C C 177.524 0.000 . 354 40 40 MET CA C 59.107 0.000 . 355 40 40 MET CB C 32.384 0.000 . 356 40 40 MET N N 122.182 0.000 . 357 41 41 LEU H H 7.679 0.000 . 358 41 41 LEU HA H 4.401 0.000 . 359 41 41 LEU HB2 H 1.97 0.000 . 360 41 41 LEU HB3 H 1.97 0.000 . 361 41 41 LEU HD1 H 0.955 0.000 . 362 41 41 LEU HD2 H 0.844 0.000 . 363 41 41 LEU HG H 1.852 0.000 . 364 41 41 LEU C C 176.407 0.000 . 365 41 41 LEU CA C 54.907 0.000 . 366 41 41 LEU CB C 42.246 0.000 . 367 41 41 LEU N N 117.178 0.000 . 368 42 42 GLY H H 7.787 0.000 . 369 42 42 GLY HA2 H 4.089 0.000 . 370 42 42 GLY HA3 H 3.682 0.000 . 371 42 42 GLY C C 173.982 0.000 . 372 42 42 GLY CA C 45.427 0.000 . 373 42 42 GLY N N 106.427 0.000 . 374 43 43 HIS H H 8.328 0.000 . 375 43 43 HIS HA H 4.683 0.000 . 376 43 43 HIS HB2 H 2.712 0.000 . 377 43 43 HIS HB3 H 2.462 0.000 . 378 43 43 HIS HD2 H 6.62 0.000 . 379 43 43 HIS C C 172.529 0.000 . 380 43 43 HIS CA C 54.653 0.000 . 381 43 43 HIS CB C 30.856 0.000 . 382 43 43 HIS N N 120.342 0.000 . 383 44 44 GLU H H 8.471 0.000 . 384 44 44 GLU HA H 4.225 0.000 . 385 44 44 GLU HB2 H 2.075 0.000 . 386 44 44 GLU HB3 H 1.899 0.000 . 387 44 44 GLU C C 175.457 0.000 . 388 44 44 GLU CA C 56.18 0.000 . 389 44 44 GLU CB C 29.966 0.000 . 390 44 44 GLU N N 123.523 0.000 . 391 45 45 VAL H H 8.272 0.000 . 392 45 45 VAL HA H 4.417 0.000 . 393 45 45 VAL HB H 1.82 0.000 . 394 45 45 VAL HG1 H 0.772 0.000 . 395 45 45 VAL HG2 H 0.6 0.000 . 396 45 45 VAL C C 174.932 0.000 . 397 45 45 VAL CA C 60.316 0.000 . 398 45 45 VAL CB C 34.61 0.000 . 399 45 45 VAL N N 123.764 0.000 . 400 46 46 SER H H 8.665 0.000 . 401 46 46 SER HA H 4.495 0.000 . 402 46 46 SER HB2 H 3.025 0.000 . 403 46 46 SER HB3 H 2.743 0.000 . 404 46 46 SER C C 174.641 0.000 . 405 46 46 SER CA C 57.707 0.000 . 406 46 46 SER CB C 64.642 0.000 . 407 46 46 SER N N 121.34 0.000 . 408 47 47 ASP H H 8.824 0.000 . 409 47 47 ASP HA H 4.33 0.000 . 410 47 47 ASP HB2 H 2.672 0.000 . 411 47 47 ASP HB3 H 2.672 0.000 . 412 47 47 ASP C C 178.652 0.000 . 413 47 47 ASP CA C 57.771 0.000 . 414 47 47 ASP CB C 40.337 0.000 . 415 47 47 ASP N N 122.698 0.000 . 416 48 48 LYS H H 8.33 0.000 . 417 48 48 LYS HA H 4.089 0.000 . 418 48 48 LYS HB2 H 1.862 0.000 . 419 48 48 LYS HB3 H 1.727 0.000 . 420 48 48 LYS HG2 H 1.479 0.000 . 421 48 48 LYS HG3 H 1.479 0.000 . 422 48 48 LYS C C 178.708 0.000 . 423 48 48 LYS CA C 59.234 0.000 . 424 48 48 LYS CB C 32.638 0.000 . 425 48 48 LYS N N 119.826 0.000 . 426 49 49 GLN H H 7.636 0.000 . 427 49 49 GLN HA H 4.167 0.000 . 428 49 49 GLN HB2 H 2.165 0.000 . 429 49 49 GLN HB3 H 2.041 0.000 . 430 49 49 GLN HG2 H 2.43 0.000 . 431 49 49 GLN HG3 H 2.43 0.000 . 432 49 49 GLN C C 178.519 0.000 . 433 49 49 GLN CA C 58.343 0.000 . 434 49 49 GLN CB C 29.011 0.000 . 435 49 49 GLN N N 118.623 0.000 . 436 50 50 LEU H H 8.427 0.000 . 437 50 50 LEU HA H 4.026 0.000 . 438 50 50 LEU HB2 H 1.727 0.000 . 439 50 50 LEU HB3 H 1.727 0.000 . 440 50 50 LEU HD1 H 0.801 0.000 . 441 50 50 LEU HD2 H 0.801 0.000 . 442 50 50 LEU HG H 1.651 0.000 . 443 50 50 LEU C C 178.15 0.000 . 444 50 50 LEU CA C 57.962 0.000 . 445 50 50 LEU CB C 41.737 0.000 . 446 50 50 LEU N N 119.672 0.000 . 447 51 51 THR H H 8.077 0.000 . 448 51 51 THR HA H 4.245 0.000 . 449 51 51 THR HB H 3.823 0.000 . 450 51 51 THR HG2 H 1.273 0.000 . 451 51 51 THR C C 176.116 0.000 . 452 51 51 THR CA C 66.869 0.000 . 453 51 51 THR CB C 68.905 0.000 . 454 51 51 THR N N 113.262 0.000 . 455 52 52 GLU H H 7.422 0.000 . 456 52 52 GLU HA H 4.073 0.000 . 457 52 52 GLU HB2 H 2.446 0.000 . 458 52 52 GLU HB3 H 2.196 0.000 . 459 52 52 GLU C C 179.024 0.000 . 460 52 52 GLU CA C 59.298 0.000 . 461 52 52 GLU CB C 29.584 0.000 . 462 52 52 GLU N N 118.691 0.000 . 463 53 53 ILE H H 8.015 0.000 . 464 53 53 ILE HA H 3.948 0.000 . 465 53 53 ILE HB H 1.946 0.000 . 466 53 53 ILE HD1 H 0.857 0.000 . 467 53 53 ILE HG12 H 1.219 0.000 . 468 53 53 ILE HG13 H 1.219 0.000 . 469 53 53 ILE HG2 H 0.976 0.000 . 470 53 53 ILE C C 177.669 0.000 . 471 53 53 ILE CA C 64.453 0.000 . 472 53 53 ILE CB C 38.174 0.000 . 473 53 53 ILE N N 119.345 0.000 . 474 54 54 ILE H H 8.364 0.001 . 475 54 54 ILE HA H 3.572 0.000 . 476 54 54 ILE HB H 1.914 0.000 . 477 54 54 ILE HG12 H 1.691 0.000 . 478 54 54 ILE HG13 H 1.231 0.000 . 479 54 54 ILE HG2 H 0.859 0.000 . 480 54 54 ILE C C 177.055 0.000 . 481 54 54 ILE CA C 66.169 0.000 . 482 54 54 ILE CB C 37.601 0.000 . 483 54 54 ILE N N 120.892 0.000 . 484 55 55 VAL H H 7.321 0.000 . 485 55 55 VAL HA H 3.791 0.000 . 486 55 55 VAL HB H 2.149 0.000 . 487 55 55 VAL HG1 H 1.093 0.000 . 488 55 55 VAL HG2 H 0.956 0.000 . 489 55 55 VAL C C 178.608 0.000 . 490 55 55 VAL CA C 65.699 0.000 . 491 55 55 VAL CB C 31.747 0.000 . 492 55 55 VAL N N 116.129 0.000 . 493 56 56 GLU H H 7.469 0.001 . 494 56 56 GLU HA H 4.01 0.000 . 495 56 56 GLU HB2 H 2.235 0.000 . 496 56 56 GLU HB3 H 2.12 0.000 . 497 56 56 GLU HG2 H 2.424 0.000 . 498 56 56 GLU HG3 H 2.424 0.000 . 499 56 56 GLU C C 178.731 0.000 . 500 56 56 GLU CA C 59.079 0.000 . 501 56 56 GLU CB C 30.093 0.000 . 502 56 56 GLU N N 118.502 0.000 . 503 57 57 VAL H H 7.853 0.000 . 504 57 57 VAL HA H 4.354 0.000 . 505 57 57 VAL HB H 2.433 0.000 . 506 57 57 VAL HG1 H 1.023 0.000 . 507 57 57 VAL HG2 H 0.889 0.000 . 508 57 57 VAL C C 176.798 0.000 . 509 57 57 VAL CA C 62.288 0.000 . 510 57 57 VAL CB C 31.811 0.000 . 511 57 57 VAL N N 109.781 0.000 . 512 58 58 ASP H H 7.791 0.000 . 513 58 58 ASP HA H 4.996 0.000 . 514 58 58 ASP HB2 H 2.931 0.000 . 515 58 58 ASP HB3 H 2.43 0.000 . 516 58 58 ASP C C 177.669 0.000 . 517 58 58 ASP CA C 52.935 0.000 . 518 58 58 ASP CB C 38.873 0.000 . 519 58 58 ASP N N 122.062 0.000 . 520 59 59 ALA H H 8.279 0.000 . 521 59 59 ALA HA H 4.12 0.000 . 522 59 59 ALA HB H 1.539 0.000 . 523 59 59 ALA C C 178.585 0.000 . 524 59 59 ALA CA C 54.907 0.000 . 525 59 59 ALA CB C 19.086 0.000 . 526 59 59 ALA N N 129.869 0.000 . 527 60 60 ASP H H 8.181 0.000 . 528 60 60 ASP HA H 4.652 0.000 . 529 60 60 ASP HB2 H 3.072 0.000 . 530 60 60 ASP HB3 H 2.728 0.000 . 531 60 60 ASP C C 177.781 0.000 . 532 60 60 ASP CA C 52.68 0.000 . 533 60 60 ASP CB C 40.146 0.000 . 534 60 60 ASP N N 113.45 0.000 . 535 61 61 GLY H H 7.951 0.000 . 536 61 61 GLY HA2 H 3.854 0.000 . 537 61 61 GLY HA3 H 3.854 0.000 . 538 61 61 GLY C C 175.177 0.000 . 539 61 61 GLY CA C 46.89 0.000 . 540 61 61 GLY N N 109.228 0.000 . 541 62 62 SER H H 8.384 0.000 . 542 62 62 SER HA H 4.198 0.000 . 543 62 62 SER HB2 H 3.986 0.000 . 544 62 62 SER HB3 H 3.986 0.000 . 545 62 62 SER C C 175.881 0.000 . 546 62 62 SER CA C 59.361 0.000 . 547 62 62 SER CB C 64.579 0.000 . 548 62 62 SER N N 116.404 0.000 . 549 63 63 GLY H H 10.497 0.000 . 550 63 63 GLY HA2 H 4.135 0.000 . 551 63 63 GLY HA3 H 3.469 0.000 . 552 63 63 GLY C C 172.775 0.000 . 553 63 63 GLY CA C 45.363 0.000 . 554 63 63 GLY N N 115.649 0.000 . 555 64 64 GLN H H 7.886 0.000 . 556 64 64 GLN HA H 4.605 0.000 . 557 64 64 GLN HB2 H 1.773 0.000 . 558 64 64 GLN HB3 H 1.601 0.000 . 559 64 64 GLN C C 174.027 0.000 . 560 64 64 GLN CA C 53.253 0.000 . 561 64 64 GLN CB C 30.475 0.000 . 562 64 64 GLN N N 116.783 0.000 . 563 65 65 LEU H H 9.116 0.000 . 564 65 65 LEU HA H 5.444 0.000 . 565 65 65 LEU HB2 H 1.79 0.000 . 566 65 65 LEU HB3 H 1.79 0.000 . 567 65 65 LEU HD1 H 0.902 0.000 . 568 65 65 LEU HD2 H 0.902 0.000 . 569 65 65 LEU HG H 1.684 0.000 . 570 65 65 LEU C C 176.105 0.000 . 571 65 65 LEU CA C 53.891 0.000 . 572 65 65 LEU CB C 42.118 0.000 . 573 65 65 LEU N N 125.518 0.000 . 574 66 66 GLU H H 7.912 0.000 . 575 66 66 GLU HA H 5.152 0.000 . 576 66 66 GLU HB2 H 2.227 0.000 . 577 66 66 GLU HB3 H 2.104 0.000 . 578 66 66 GLU HG2 H 2.489 0.000 . 579 66 66 GLU HG3 H 2.685 0.000 . 580 66 66 GLU C C 177.502 0.000 . 581 66 66 GLU CA C 57.389 0.000 . 582 66 66 GLU CB C 29.838 0.000 . 583 66 66 GLU N N 124.59 0.000 . 584 67 67 PHE H H 9.262 0.000 . 585 67 67 PHE HA H 3.354 0.000 . 586 67 67 PHE HB2 H 2.522 0.000 . 587 67 67 PHE HB3 H 2.329 0.000 . 588 67 67 PHE HD1 H 6.65 0.000 . 589 67 67 PHE HD2 H 6.65 0.000 . 590 67 67 PHE HE1 H 7.2 0.000 . 591 67 67 PHE HE2 H 7.2 0.000 . 592 67 67 PHE HZ H 7.373 0.000 . 593 67 67 PHE C C 176.563 0.000 . 594 67 67 PHE CA C 62.844 0.000 . 595 67 67 PHE CB C 38.428 0.000 . 596 67 67 PHE N N 122.612 0.000 . 597 68 68 GLU H H 9.376 0.000 . 598 68 68 GLU HA H 3.525 0.000 . 599 68 68 GLU HB2 H 2.039 0.000 . 600 68 68 GLU HB3 H 2.039 0.000 . 601 68 68 GLU C C 179.177 0.000 . 602 68 68 GLU CA C 60.57 0.000 . 603 68 68 GLU CB C 28.439 0.000 . 604 68 68 GLU N N 115.582 0.000 . 605 69 69 GLU H H 6.945 0.000 . 606 69 69 GLU HA H 4.182 0.000 . 607 69 69 GLU HB2 H 2.556 0.000 . 608 69 69 GLU HB3 H 2.556 0.000 . 609 69 69 GLU C C 178.24 0.000 . 610 69 69 GLU CA C 58.314 0.000 . 611 69 69 GLU CB C 30.093 0.000 . 612 69 69 GLU N N 118.158 0.000 . 613 70 70 PHE H H 8.372 0.003 . 614 70 70 PHE HA H 4.208 0.000 . 615 70 70 PHE HB2 H 3.369 0.000 . 616 70 70 PHE HB3 H 3.116 0.000 . 617 70 70 PHE C C 176.753 0.000 . 618 70 70 PHE CA C 60.952 0.000 . 619 70 70 PHE CB C 38.873 0.000 . 620 70 70 PHE N N 119.518 0.003 . 621 71 71 VAL H H 8.373 0.000 . 622 71 71 VAL HA H 2.915 0.000 . 623 71 71 VAL HB H 1.617 0.000 . 624 71 71 VAL HG1 H 0.889 0.000 . 625 71 71 VAL HG2 H 0.592 0.000 . 626 71 71 VAL C C 176.138 0.000 . 627 71 71 VAL CA C 67.251 0.000 . 628 71 71 VAL CB C 30.92 0.000 . 629 71 71 VAL N N 119.517 0.000 . 630 72 72 THR H H 7.321 0.000 . 631 72 72 THR HA H 4.354 0.000 . 632 72 72 THR HB H 3.666 0.000 . 633 72 72 THR HG2 H 1.226 0.000 . 634 72 72 THR C C 176.138 0.000 . 635 72 72 THR CA C 66.869 0.000 . 636 72 72 THR CB C 68.396 0.000 . 637 72 72 THR N N 115.335 0.000 . 638 73 73 LEU H H 7.8 0.000 . 639 73 73 LEU HA H 3.807 0.000 . 640 73 73 LEU HB2 H 1.961 0.000 . 641 73 73 LEU HB3 H 1.961 0.000 . 642 73 73 LEU HD1 H 0.874 0.000 . 643 73 73 LEU HD2 H 0.874 0.000 . 644 73 73 LEU HG H 1.727 0.000 . 645 73 73 LEU C C 177.557 0.000 . 646 73 73 LEU CA C 59.043 0.000 . 647 73 73 LEU CB C 42.118 0.000 . 648 73 73 LEU N N 122.457 0.000 . 649 74 74 ALA H H 8.628 0.000 . 650 74 74 ALA HA H 3.713 0.000 . 651 74 74 ALA HB H 0.866 0.000 . 652 74 74 ALA C C 179.557 0.000 . 653 74 74 ALA CA C 54.971 0.000 . 654 74 74 ALA CB C 18.386 0.000 . 655 74 74 ALA N N 119.844 0.000 . 656 75 75 ALA H H 8.542 0.000 . 657 75 75 ALA HA H 3.807 0.000 . 658 75 75 ALA HB H 1.351 0.000 . 659 75 75 ALA C C 179.032 0.000 . 660 75 75 ALA CA C 55.289 0.000 . 661 75 75 ALA CB C 18.195 0.000 . 662 75 75 ALA N N 118.829 0.000 . 663 76 76 ARG H H 7.269 0.000 . 664 76 76 ARG HA H 3.917 0.000 . 665 76 76 ARG HB2 H 1.601 0.000 . 666 76 76 ARG HB3 H 1.428 0.000 . 667 76 76 ARG HD2 H 2.869 0.000 . 668 76 76 ARG HD3 H 2.869 0.000 . 669 76 76 ARG HG2 H 1.296 0.000 . 670 76 76 ARG HG3 H 1.138 0.000 . 671 76 76 ARG C C 176.887 0.000 . 672 76 76 ARG CA C 57.771 0.000 . 673 76 76 ARG CB C 29.075 0.000 . 674 76 76 ARG N N 114.862 0.000 . 675 77 77 PHE H H 7.398 0.000 . 676 77 77 PHE HA H 4.339 0.000 . 677 77 77 PHE HB2 H 2.571 0.000 . 678 77 77 PHE HB3 H 2.415 0.000 . 679 77 77 PHE C C 176.049 0.000 . 680 77 77 PHE CA C 58.916 0.000 . 681 77 77 PHE CB C 39.51 0.000 . 682 77 77 PHE N N 115.571 0.000 . 683 78 78 LEU H H 7.655 0.000 . 684 78 78 LEU HA H 4.245 0.000 . 685 78 78 LEU HB2 H 1.742 0.000 . 686 78 78 LEU HB3 H 1.742 0.000 . 687 78 78 LEU HD1 H 0.815 0.000 . 688 78 78 LEU HD2 H 0.815 0.000 . 689 78 78 LEU HG H 1.57 0.000 . 690 78 78 LEU C C 177.446 0.000 . 691 78 78 LEU CA C 55.862 0.000 . 692 78 78 LEU CB C 42.118 0.000 . 693 78 78 LEU N N 118.176 0.000 . 694 79 79 THR H H 7.585 0.000 . 695 79 79 THR HA H 4.401 0.000 . 696 79 79 THR HB H 4.245 0.000 . 697 79 79 THR HG2 H 1.163 0.000 . 698 79 79 THR C C 174.429 0.000 . 699 79 79 THR CA C 61.779 0.000 . 700 79 79 THR CB C 69.86 0.000 . 701 79 79 THR N N 110.987 0.000 . 702 80 80 GLU H H 8.123 0.000 . 703 80 80 GLU HA H 4.339 0.000 . 704 80 80 GLU HB2 H 2.274 0.000 . 705 80 80 GLU HB3 H 2.008 0.000 . 706 80 80 GLU C C 176.094 0.000 . 707 80 80 GLU CA C 56.562 0.000 . 708 80 80 GLU CB C 30.284 0.000 . 709 80 80 GLU N N 122.836 0.000 . 710 81 81 ASP H H 8.408 0.001 . 711 81 81 ASP HA H 4.66 0.000 . 712 81 81 ASP HB2 H 2.748 0.000 . 713 81 81 ASP HB3 H 2.641 0.000 . 714 81 81 ASP C C 175.926 0.000 . 715 81 81 ASP CA C 54.335 0.000 . 716 81 81 ASP CB C 41.125 0.000 . 717 81 81 ASP N N 121.984 0.096 . 718 82 82 ASN H H 8.455 0.000 . 719 82 82 ASN HA H 4.777 0.000 . 720 82 82 ASN HB2 H 2.806 0.000 . 721 82 82 ASN HB3 H 2.806 0.000 . 722 82 82 ASN C C 175.367 0.000 . 723 82 82 ASN CA C 53.253 0.000 . 724 82 82 ASN CB C 39.064 0.000 . 725 82 82 ASN N N 119.93 0.000 . 726 83 83 GLU H H 8.479 0.000 . 727 83 83 GLU HA H 4.294 0.000 . 728 83 83 GLU HB2 H 2.076 0.000 . 729 83 83 GLU HB3 H 1.957 0.000 . 730 83 83 GLU HG2 H 2.263 0.000 . 731 83 83 GLU HG3 H 2.263 0.000 . 732 83 83 GLU C C 176.664 0.000 . 733 83 83 GLU CA C 56.816 0.000 . 734 83 83 GLU CB C 30.093 0.000 . 735 83 83 GLU N N 121.769 0.000 . 736 84 84 GLU H H 8.488 0.000 . 737 84 84 GLU HA H 4.276 0.000 . 738 84 84 GLU HB2 H 1.992 0.000 . 739 84 84 GLU HB3 H 1.992 0.000 . 740 84 84 GLU HG2 H 2.305 0.000 . 741 84 84 GLU HG3 H 2.305 0.000 . 742 84 84 GLU C C 176.429 0.000 . 743 84 84 GLU CA C 56.78 0.000 . 744 84 84 GLU CB C 30.208 0.000 . 745 84 84 GLU N N 122.062 0.000 . 746 85 85 ASP H H 8.405 0.001 . 747 85 85 ASP HA H 4.652 0.000 . 748 85 85 ASP HB2 H 2.749 0.000 . 749 85 85 ASP HB3 H 2.644 0.000 . 750 85 85 ASP C C 176.429 0.000 . 751 85 85 ASP CA C 54.481 0.000 . 752 85 85 ASP CB C 41.137 0.000 . 753 85 85 ASP N N 121.787 0.000 . 754 86 86 SER H H 8.257 0.000 . 755 86 86 SER HA H 4.417 0.000 . 756 86 86 SER HB2 H 3.917 0.000 . 757 86 86 SER HB3 H 3.917 0.000 . 758 86 86 SER C C 174.217 0.000 . 759 86 86 SER CA C 58.519 0.000 . 760 86 86 SER CB C 63.906 0.000 . 761 86 86 SER N N 116.576 0.000 . 762 87 87 ALA H H 8.3 0.000 . 763 87 87 ALA HA H 4.37 0.000 . 764 87 87 ALA HB H 1.414 0.000 . 765 87 87 ALA C C 176.485 0.000 . 766 87 87 ALA CA C 52.553 0.000 . 767 87 87 ALA CB C 19.404 0.000 . 768 87 87 ALA N N 126.619 0.000 . 769 88 88 ALA H H 7.869 0.000 . 770 88 88 ALA HA H 4.104 0.000 . 771 88 88 ALA HB H 1.335 0.000 . 772 88 88 ALA C C 172.697 0.000 . 773 88 88 ALA CA C 53.889 0.000 . 774 88 88 ALA CB C 20.167 0.000 . 775 88 88 ALA N N 129.112 0.000 . stop_ save_