data_25305 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; titin M10 domain ; _BMRB_accession_number 25305 _BMRB_flat_file_name bmr25305.str _Entry_type original _Submission_date 2014-10-29 _Accession_date 2014-10-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'human titin M10 domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wright Nathan T. . 2 Rudloss Michael W. . 3 Woosley Alec N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 83 "13C chemical shifts" 238 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25301 OBSC-Ig1 25303 'titin M10-obscurin-Ig1' 25304 'obscurin Ig1 bound to titin M10' 25308 'obscurin Ig58' 25406 'H56P mutant' stop_ _Original_release_date 2015-08-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biophysical characterization of naturally occurring titin M10 mutations ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25739468 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rudloff Michael W. . 2 Woosley Alec N. . 3 Wright Nathan T. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 24 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 946 _Page_last 955 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'titin M10' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'titin M10' $titin_M10 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_titin_M10 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common titin_M10 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSRGIPPKIEALPSDISIDE GKVLTVACAFTGEPTPEVTW SCGGRKIHSQEQGRFHIENT DDLTTLIIMDVQKQDGGLYT LSLGNEFGSDSATVNIHIRS I ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 ARG 4 4 GLY 5 5 ILE 6 6 PRO 7 7 PRO 8 8 LYS 9 9 ILE 10 10 GLU 11 11 ALA 12 12 LEU 13 13 PRO 14 14 SER 15 15 ASP 16 16 ILE 17 17 SER 18 18 ILE 19 19 ASP 20 20 GLU 21 21 GLY 22 22 LYS 23 23 VAL 24 24 LEU 25 25 THR 26 26 VAL 27 27 ALA 28 28 CYS 29 29 ALA 30 30 PHE 31 31 THR 32 32 GLY 33 33 GLU 34 34 PRO 35 35 THR 36 36 PRO 37 37 GLU 38 38 VAL 39 39 THR 40 40 TRP 41 41 SER 42 42 CYS 43 43 GLY 44 44 GLY 45 45 ARG 46 46 LYS 47 47 ILE 48 48 HIS 49 49 SER 50 50 GLN 51 51 GLU 52 52 GLN 53 53 GLY 54 54 ARG 55 55 PHE 56 56 HIS 57 57 ILE 58 58 GLU 59 59 ASN 60 60 THR 61 61 ASP 62 62 ASP 63 63 LEU 64 64 THR 65 65 THR 66 66 LEU 67 67 ILE 68 68 ILE 69 69 MET 70 70 ASP 71 71 VAL 72 72 GLN 73 73 LYS 74 74 GLN 75 75 ASP 76 76 GLY 77 77 GLY 78 78 LEU 79 79 TYR 80 80 THR 81 81 LEU 82 82 SER 83 83 LEU 84 84 GLY 85 85 ASN 86 86 GLU 87 87 PHE 88 88 GLY 89 89 SER 90 90 ASP 91 91 SER 92 92 ALA 93 93 THR 94 94 VAL 95 95 ASN 96 96 ILE 97 97 HIS 98 98 ILE 99 99 ARG 100 100 SER 101 101 ILE 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 $titin_M10 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 $titin_M10 'recombinant technology' . Escherichia coli . pET24a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'All NMR samples were collected at 25oC in 20 mM Tris pH 7.5, 20 mM NaCl, 0.35 mM NaN3, and 0.5-2.5 mM protein with 10% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $titin_M10 . mM 0.5 2.5 '[U-99% 13C; U-99% 15N]' Tris 20 mM . . 'natural abundance' NaCl 20 mM . . 'natural abundance' NaN3 0.35 mM . . 'natural abundance' H20 90 % . . 'natural abundance' D20 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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' .02 . M 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' 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 'titin M10' _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 4 4 GLY H H 7.406 0.002 1 2 4 4 GLY C C 172.7 0.1 1 3 4 4 GLY CA C 46.9 0.1 1 4 4 4 GLY N N 109.9 0.01 1 5 5 5 ILE H H 9.1 0.002 1 6 5 5 ILE C C 174.0 0.1 1 7 5 5 ILE CA C 58.1 0.1 1 8 5 5 ILE CB C 41.5 0.1 1 9 5 5 ILE N N 121.7 0.01 1 10 9 9 ILE H H 9.519 0.002 1 11 9 9 ILE C C 176.1 0.1 1 12 9 9 ILE CA C 62.6 0.1 1 13 9 9 ILE CB C 39.1 0.1 1 14 9 9 ILE N N 130.0 0.01 1 15 10 10 GLU H H 8.748 0.002 1 16 10 10 GLU C C 176.1 0.1 1 17 10 10 GLU CA C 58.2 0.1 1 18 10 10 GLU CB C 29.8 0.1 1 19 10 10 GLU N N 129.8 0.01 1 20 11 11 ALA H H 7.46 0.002 1 21 11 11 ALA C C 175.5 0.1 1 22 11 11 ALA CA C 53.1 0.1 1 23 11 11 ALA CB C 20.3 0.1 1 24 11 11 ALA N N 119.1 0.01 1 25 12 12 LEU H H 8.295 0.002 1 26 12 12 LEU C C 174.3 0.1 1 27 12 12 LEU CB C 44.2 0.1 1 28 12 12 LEU N N 125.6 0.01 1 29 14 14 SER H H 8.418 0.002 1 30 14 14 SER C C 176.2 0.1 1 31 14 14 SER CA C 60.6 0.1 1 32 14 14 SER CB C 64.0 0.1 1 33 14 14 SER N N 112.8 0.01 1 34 15 15 ASP H H 7.691 0.002 1 35 15 15 ASP C C 174.2 0.1 1 36 15 15 ASP CA C 54.0 0.1 1 37 15 15 ASP CB C 45.8 0.1 1 38 15 15 ASP N N 120.6 0.01 1 39 16 16 ILE H H 8.888 0.002 1 40 16 16 ILE C C 174.0 0.1 1 41 16 16 ILE CA C 61.1 0.1 1 42 16 16 ILE CB C 42.9 0.1 1 43 16 16 ILE N N 122.2 0.01 1 44 17 17 SER H H 8.504 0.002 1 45 17 17 SER C C 172.9 0.1 1 46 17 17 SER CA C 56.9 0.1 1 47 17 17 SER CB C 65.1 0.1 1 48 17 17 SER N N 121.6 0.01 1 49 18 18 ILE H H 8.770 0.002 1 50 18 18 ILE C C 172.0 0.1 1 51 18 18 ILE CA C 58.3 0.1 1 52 18 18 ILE CB C 42.3 0.1 1 53 18 18 ILE N N 124.1 0.01 1 54 19 19 ASP H H 7.858 0.002 1 55 19 19 ASP C C 174.7 0.1 1 56 19 19 ASP CA C 54.8 0.1 1 57 19 19 ASP CB C 41.6 0.1 1 58 19 19 ASP N N 126.7 0.01 1 59 20 20 GLU H H 8.107 0.002 1 60 20 20 GLU C C 176.6 0.1 1 61 20 20 GLU CA C 57.7 0.1 1 62 20 20 GLU CB C 30.4 0.1 1 63 20 20 GLU N N 119.3 0.01 1 64 21 21 GLY H H 9.677 0.002 1 65 21 21 GLY C C 174.9 0.1 1 66 21 21 GLY CA C 44.9 0.1 1 67 21 21 GLY N N 113.2 0.01 1 68 22 22 LYS H H 7.321 0.002 1 69 22 22 LYS C C 173.6 0.1 1 70 22 22 LYS CA C 55.0 0.1 1 71 22 22 LYS CB C 32.8 0.1 1 72 22 22 LYS N N 120.4 0.01 1 73 23 23 VAL H H 7.73 0.002 1 74 23 23 VAL C C 176.2 0.1 1 75 23 23 VAL CA C 61.9 0.1 1 76 23 23 VAL N N 116.8 0.01 1 77 24 24 LEU H H 8.955 0.002 1 78 24 24 LEU C C 174.2 0.1 1 79 24 24 LEU CA C 53.6 0.1 1 80 24 24 LEU CB C 44.0 0.1 1 81 24 24 LEU N N 132.1 0.01 1 82 25 25 THR H H 8.06 0.002 1 83 25 25 THR C C 174.2 0.1 1 84 25 25 THR CA C 61.4 0.1 1 85 25 25 THR CB C 70.5 0.1 1 86 25 25 THR N N 120.6 0.01 1 87 26 26 VAL H H 9.362 0.002 1 88 26 26 VAL C C 173.9 0.1 1 89 26 26 VAL CA C 61.5 0.1 1 90 26 26 VAL CB C 33.1 0.1 1 91 26 26 VAL N N 128.2 0.01 1 92 27 27 ALA H H 8.473 0.002 1 93 27 27 ALA C C 177.3 0.1 1 94 27 27 ALA CA C 50.6 0.1 1 95 27 27 ALA CB C 21.7 0.1 1 96 27 27 ALA N N 129.6 0.01 1 97 28 28 CYS H H 9.528 0.002 1 98 28 28 CYS C C 177.3 0.1 1 99 28 28 CYS CA C 57.9 0.1 1 100 28 28 CYS CB C 30.0 0.1 1 101 28 28 CYS N N 123.1 0.01 1 102 29 29 ALA H H 8.844 0.002 1 103 29 29 ALA C C 176.6 0.1 1 104 29 29 ALA CA C 51.1 0.1 1 105 29 29 ALA CB C 20.5 0.1 1 106 29 29 ALA N N 131.7 0.01 1 107 30 30 PHE H H 7.522 0.002 1 108 30 30 PHE C C 173.8 0.1 1 109 30 30 PHE CA C 56.3 0.1 1 110 30 30 PHE CB C 43.3 0.1 1 111 30 30 PHE N N 115.1 0.01 1 112 31 31 THR H H 8.444 0.002 1 113 31 31 THR C C 174.4 0.1 1 114 31 31 THR CA C 59.8 0.1 1 115 31 31 THR CB C 72.5 0.1 1 116 31 31 THR N N 110.1 0.01 1 117 32 32 GLY H H 8.359 0.002 1 118 32 32 GLY C C 171.1 0.1 1 119 32 32 GLY CA C 45.5 0.1 1 120 32 32 GLY N N 107.5 0.01 1 121 35 35 THR H H 8.553 0.002 1 122 35 35 THR C C 173.1 0.1 1 123 35 35 THR CA C 62.3 0.1 1 124 35 35 THR CB C 70.3 0.1 1 125 35 35 THR N N 118.8 0.01 1 126 37 37 GLU H H 8.751 0.002 1 127 37 37 GLU C C 176.6 0.1 1 128 37 37 GLU CA C 56.4 0.1 1 129 37 37 GLU CB C 30.2 0.1 1 130 37 37 GLU N N 120.0 0.01 1 131 38 38 VAL H H 8.579 0.002 1 132 38 38 VAL C C 176.6 0.1 1 133 38 38 VAL CA C 62.2 0.1 1 134 38 38 VAL CB C 33.8 0.1 1 135 38 38 VAL N N 129.6 0.01 1 136 40 40 TRP H H 9.651 0.002 1 137 40 40 TRP C C 175.9 0.1 1 138 40 40 TRP CA C 56.5 0.1 1 139 40 40 TRP CB C 31.7 0.1 1 140 40 40 TRP N N 130.5 0.01 1 141 41 41 SER H H 9.456 0.002 1 142 41 41 SER C C 172.5 0.1 1 143 41 41 SER CA C 57.0 0.1 1 144 41 41 SER CB C 66.8 0.1 1 145 41 41 SER N N 115.1 0.01 1 146 42 42 CYS H H 8.56 0.002 1 147 42 42 CYS C C 176.5 0.1 1 148 42 42 CYS CA C 58.3 0.1 1 149 42 42 CYS CB C 28.3 0.1 1 150 42 42 CYS N N 120.5 0.01 1 151 45 45 ARG H H 7.623 0.002 1 152 45 45 ARG C C 174.8 0.1 1 153 45 45 ARG CA C 54.6 0.1 1 154 45 45 ARG CB C 31.7 0.1 1 155 45 45 ARG N N 121.2 0.01 1 156 46 46 LYS H H 8.489 0.002 1 157 46 46 LYS C C 175.9 0.1 1 158 46 46 LYS CA C 57.2 0.1 1 159 46 46 LYS CB C 33.3 0.1 1 160 46 46 LYS N N 126.1 0.01 1 161 47 47 ILE H H 8.774 0.002 1 162 47 47 ILE C C 174.3 0.1 1 163 47 47 ILE CA C 60.3 0.1 1 164 47 47 ILE CB C 37.7 0.1 1 165 47 47 ILE N N 126.6 0.01 1 166 48 48 HIS H H 8.182 0.002 1 167 48 48 HIS C C 175.0 0.1 1 168 48 48 HIS CA C 54.7 0.1 1 169 48 48 HIS CB C 32.1 0.1 1 170 48 48 HIS N N 125.3 0.01 1 171 52 52 GLN H H 7.993 0.002 1 172 52 52 GLN C C 175.9 0.1 1 173 52 52 GLN CA C 55.0 0.1 1 174 52 52 GLN CB C 35.7 0.1 1 175 52 52 GLN N N 119.8 0.01 1 176 53 53 GLY H H 7.975 0.002 1 177 53 53 GLY C C 174.3 0.1 1 178 53 53 GLY CA C 45.1 0.1 1 179 53 53 GLY N N 108.5 0.01 1 180 55 55 PHE H H 7.751 0.002 1 181 55 55 PHE C C 175.3 0.1 1 182 55 55 PHE CA C 57.0 0.1 1 183 55 55 PHE CB C 40.8 0.1 1 184 55 55 PHE N N 117.6 0.01 1 185 56 56 HIS H H 9.409 0.002 1 186 56 56 HIS C C 172.6 0.1 1 187 56 56 HIS CA C 54.8 0.1 1 188 56 56 HIS CB C 33.0 0.1 1 189 56 56 HIS N N 121.6 0.01 1 190 57 57 ILE H H 8.15 0.002 1 191 57 57 ILE C C 175.7 0.1 1 192 57 57 ILE CA C 60.2 0.1 1 193 57 57 ILE CB C 41.8 0.1 1 194 57 57 ILE N N 122.7 0.01 1 195 58 58 GLU H H 8.99 0.002 1 196 58 58 GLU C C 175.1 0.1 1 197 58 58 GLU CA C 54.8 0.1 1 198 58 58 GLU CB C 32.0 0.1 1 199 58 58 GLU N N 128.5 0.01 1 200 59 59 ASN H H 9.203 0.002 1 201 59 59 ASN C C 175.3 0.1 1 202 59 59 ASN CA C 57.2 0.1 1 203 59 59 ASN CB C 41.1 0.1 1 204 59 59 ASN N N 126.9 0.01 1 205 60 60 THR H H 9.263 0.002 1 206 60 60 THR C C 174.1 0.1 1 207 60 60 THR CA C 60.0 0.1 1 208 60 60 THR CB C 70.0 0.1 1 209 60 60 THR N N 117.3 0.01 1 210 61 61 ASP H H 8.297 0.002 1 211 61 61 ASP C C 175.4 0.1 1 212 61 61 ASP CA C 56.5 0.1 1 213 61 61 ASP CB C 40.6 0.1 1 214 61 61 ASP N N 117.7 0.01 1 215 62 62 ASP H H 7.944 0.002 1 216 62 62 ASP C C 173.6 0.1 1 217 62 62 ASP CA C 53.2 0.1 1 218 62 62 ASP N N 115.9 0.01 1 219 63 63 LEU H H 7.062 0.002 1 220 63 63 LEU C C 175.4 0.1 1 221 63 63 LEU CA C 54.8 0.1 1 222 63 63 LEU CB C 46.8 0.1 1 223 63 63 LEU N N 122.8 0.01 1 224 64 64 THR H H 8.879 0.002 1 225 64 64 THR C C 172.4 0.1 1 226 64 64 THR CA C 59.5 0.1 1 227 64 64 THR CB C 69.9 0.1 1 228 64 64 THR N N 121.1 0.01 1 229 65 65 THR H H 8.559 0.002 1 230 65 65 THR C C 172.4 0.1 1 231 65 65 THR CA C 61.5 0.1 1 232 65 65 THR CB C 71.0 0.1 1 233 65 65 THR N N 125.0 0.01 1 234 66 66 LEU H H 8.719 0.002 1 235 66 66 LEU C C 173.7 0.1 1 236 66 66 LEU CA C 53.7 0.1 1 237 66 66 LEU CB C 42.3 0.1 1 238 66 66 LEU N N 130.0 0.01 1 239 67 67 ILE H H 8.977 0.002 1 240 67 67 ILE C C 175.2 0.1 1 241 67 67 ILE CA C 59.6 0.1 1 242 67 67 ILE CB C 41.6 0.1 1 243 67 67 ILE N N 127.7 0.01 1 244 68 68 ILE H H 8.727 0.002 1 245 68 68 ILE C C 175.6 0.1 1 246 68 68 ILE CA C 60.0 0.1 1 247 68 68 ILE CB C 39.5 0.1 1 248 68 68 ILE N N 124.2 0.01 1 249 70 70 ASP H H 7.283 0.002 1 250 70 70 ASP C C 175.1 0.1 1 251 70 70 ASP CA C 55.0 0.1 1 252 70 70 ASP CB C 39.6 0.1 1 253 70 70 ASP N N 119.2 0.01 1 254 71 71 VAL H H 8.088 0.002 1 255 71 71 VAL C C 176.0 0.1 1 256 71 71 VAL CA C 64.2 0.1 1 257 71 71 VAL CB C 32.4 0.1 1 258 71 71 VAL N N 115.3 0.01 1 259 72 72 GLN H H 9.273 0.002 1 260 72 72 GLN C C 177.6 0.1 1 261 72 72 GLN CA C 53.2 0.1 1 262 72 72 GLN CB C 32.5 0.1 1 263 72 72 GLN N N 125.2 0.01 1 264 73 73 LYS H H 9.248 0.002 1 265 73 73 LYS C C 179.4 0.1 1 266 73 73 LYS CA C 60.7 0.1 1 267 73 73 LYS CB C 32.0 0.1 1 268 73 73 LYS N N 122.1 0.01 1 269 74 74 GLN H H 8.784 0.002 1 270 74 74 GLN C C 175.6 0.1 1 271 74 74 GLN CA C 57.7 0.1 1 272 74 74 GLN CB C 27.5 0.1 1 273 74 74 GLN N N 115.1 0.01 1 274 75 75 ASP H H 8.177 0.002 1 275 75 75 ASP C C 177.2 0.1 1 276 75 75 ASP CA C 55.1 0.1 1 277 75 75 ASP CB C 41.2 0.1 1 278 75 75 ASP N N 119.7 0.01 1 279 76 76 GLY H H 7.648 0.002 1 280 76 76 GLY C C 172.8 0.1 1 281 76 76 GLY CA C 45.7 0.1 1 282 76 76 GLY N N 105.7 0.01 1 283 77 77 GLY H H 8.818 0.002 1 284 77 77 GLY C C 171.1 0.1 1 285 77 77 GLY CA C 44.3 0.1 1 286 77 77 GLY N N 109.2 0.01 1 287 78 78 LEU H H 8.267 0.002 1 288 78 78 LEU C C 171.1 0.1 1 289 78 78 LEU CA C 55.0 0.1 1 290 78 78 LEU CB C 42.4 0.1 1 291 78 78 LEU N N 120.7 0.01 1 292 79 79 TYR H H 9.838 0.002 1 293 79 79 TYR C C 175.1 0.1 1 294 79 79 TYR CA C 57.5 0.1 1 295 79 79 TYR CB C 40.0 0.1 1 296 79 79 TYR N N 131.3 0.01 1 297 80 80 THR H H 9.305 0.002 1 298 80 80 THR C C 172.3 0.1 1 299 80 80 THR CA C 70.0 0.1 1 300 80 80 THR CB C 71.3 0.1 1 301 80 80 THR N N 118.0 0.01 1 302 81 81 LEU H H 8.835 0.002 1 303 81 81 LEU C C 174.4 0.1 1 304 81 81 LEU CA C 52.7 0.1 1 305 81 81 LEU CB C 42.5 0.1 1 306 81 81 LEU N N 130.7 0.01 1 307 82 82 SER H H 8.839 0.002 1 308 82 82 SER C C 172.1 0.1 1 309 82 82 SER CA C 56.5 0.1 1 310 82 82 SER CB C 65.3 0.1 1 311 82 82 SER N N 119.8 0.01 1 312 83 83 LEU H H 8.727 0.002 1 313 83 83 LEU C C 177.2 0.1 1 314 83 83 LEU CA C 52.2 0.1 1 315 83 83 LEU CB C 47.1 0.1 1 316 83 83 LEU N N 122.6 0.01 1 317 84 84 GLY H H 7.933 0.002 1 318 84 84 GLY C C 172.5 0.1 1 319 84 84 GLY CA C 45.4 0.1 1 320 84 84 GLY N N 106.5 0.01 1 321 85 85 ASN H H 8.976 0.002 1 322 85 85 ASN C C 175.7 0.1 1 323 85 85 ASN CA C 52.1 0.1 1 324 85 85 ASN CB C 40.1 0.1 1 325 85 85 ASN N N 121.5 0.01 1 326 86 86 GLU H H 9.208 0.002 1 327 86 86 GLU C C 175.9 0.1 1 328 86 86 GLU CA C 58.6 0.1 1 329 86 86 GLU CB C 29.2 0.1 1 330 86 86 GLU N N 116.4 0.01 1 331 87 87 PHE H H 7.927 0.002 1 332 87 87 PHE C C 175.2 0.1 1 333 87 87 PHE CA C 58.4 0.1 1 334 87 87 PHE CB C 39.7 0.1 1 335 87 87 PHE N N 115.9 0.01 1 336 88 88 GLY H H 7.757 0.002 1 337 88 88 GLY C C 170.2 0.1 1 338 88 88 GLY CA C 45.7 0.1 1 339 88 88 GLY N N 107.36 0.01 1 340 89 89 SER H H 8.450 0.002 1 341 89 89 SER C C 172.8 0.1 1 342 89 89 SER CA C 56.8 0.1 1 343 89 89 SER CB C 66.7 0.1 1 344 89 89 SER N N 112.5 0.01 1 345 90 90 ASP H H 8.639 0.002 1 346 90 90 ASP C C 174.5 0.1 1 347 90 90 ASP CA C 53.9 0.1 1 348 90 90 ASP CB C 45.2 0.1 1 349 90 90 ASP N N 119.4 0.01 1 350 91 91 SER H H 8.210 0.002 1 351 91 91 SER C C 172.6 0.1 1 352 91 91 SER CA C 57.3 0.1 1 353 91 91 SER CB C 66.2 0.1 1 354 91 91 SER N N 115.8 0.01 1 355 92 92 ALA H H 8.827 0.002 1 356 92 92 ALA C C 174.6 0.1 1 357 92 92 ALA CA C 52.0 0.1 1 358 92 92 ALA CB C 23.3 0.1 1 359 92 92 ALA N N 124.6 0.01 1 360 93 93 THR H H 8.297 0.002 1 361 93 93 THR C C 173.3 0.1 1 362 93 93 THR CA C 60.4 0.1 1 363 93 93 THR CB C 72.5 0.1 1 364 93 93 THR N N 111.6 0.01 1 365 94 94 VAL H H 9.470 0.002 1 366 94 94 VAL C C 172.5 0.1 1 367 94 94 VAL CA C 59.3 0.1 1 368 94 94 VAL CB C 34.5 0.1 1 369 94 94 VAL N N 122.9 0.01 1 370 95 95 ASN H H 8.530 0.002 1 371 95 95 ASN C C 174.0 0.1 1 372 95 95 ASN CA C 52.5 0.1 1 373 95 95 ASN CB C 39.4 0.1 1 374 95 95 ASN N N 127.8 0.01 1 375 96 96 ILE H H 9.105 0.002 1 376 96 96 ILE C C 175.2 0.1 1 377 96 96 ILE CA C 60.7 0.1 1 378 96 96 ILE CB C 37.0 0.1 1 379 96 96 ILE N N 127.0 0.01 1 380 97 97 HIS H H 9.310 0.002 1 381 97 97 HIS C C 173.4 0.1 1 382 97 97 HIS CA C 54.6 0.1 1 383 97 97 HIS CB C 31.4 0.1 1 384 97 97 HIS N N 129.6 0.01 1 385 98 98 ILE H H 8.635 0.002 1 386 98 98 ILE C C 176.3 0.1 1 387 98 98 ILE CA C 58.1 0.1 1 388 98 98 ILE CB C 36.3 0.1 1 389 98 98 ILE N N 124.7 0.01 1 390 99 99 ARG H H 8.934 0.002 1 391 99 99 ARG C C 175.6 0.1 1 392 99 99 ARG CA C 55.8 0.1 1 393 99 99 ARG CB C 31.0 0.1 1 394 99 99 ARG N N 129.5 0.01 1 395 100 100 SER H H 8.493 0.002 1 396 100 100 SER C C 175.5 0.1 1 397 100 100 SER CA C 58.4 0.1 1 398 100 100 SER CB C 64.8 0.1 1 399 100 100 SER N N 120.9 0.01 1 400 101 101 ILE H H 8.186 0.002 1 401 101 101 ILE C C 181.4 0.1 1 402 101 101 ILE CA C 63.1 0.1 1 403 101 101 ILE CB C 39.3 0.1 1 404 101 101 ILE N N 127.2 0.01 1 stop_ save_