data_19424 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of delta exon 3 mouse RyR2 domain A ; _BMRB_accession_number 19424 _BMRB_flat_file_name bmr19424.str _Entry_type original _Submission_date 2013-08-13 _Accession_date 2013-08-13 _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 Amador Fernando . . 2 Stathopulos Peter . . 3 Seabrook Genevieve . . 4 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 145 "13C chemical shifts" 276 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-12 original author . stop_ _Original_release_date 2014-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Type 2 ryanodine receptor domain A contains a unique and dynamic -helix that transitions to a -strand in a mutant linked with a heritable cardiomyopathy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23978697 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amador Fernando J. . 2 Kimlicka Lynn . . 3 Stathopulos Peter B. . 4 Gasmi-Seabrook Genevieve M.C. . 5 Maclennan David H. . 6 'Van Petegem' Filip . . 7 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4034 _Page_last 4046 _Year 2013 _Details . loop_ _Keyword 'beta-trefoil rescue' CPVT 'delta exon 3' 'domain A' 'ryanodine receptor 2' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RyR2A delta exon 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RyR2A delta exon 3' $RyR2A 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_RyR2A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RyR2A _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; GSGSEIQFLRTDDEVVLQCT ATIHKEQQKLCLAAEGFGNR LCFLESTSNSKQVDVEKWKF MMKTAQGGGHRTLLYGHAIL LRHSYSGMYLCCLSTSRSST DKLAFDVGLQEDTTGEACWW TIHPASKQRSEGEKVRVGDD LILVSVSSERYLHLSYGNSS WHVDAAFQQTLWSVAPI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 GLY 2 7 SER 3 8 GLY 4 9 SER 5 10 GLU 6 11 ILE 7 12 GLN 8 13 PHE 9 14 LEU 10 15 ARG 11 16 THR 12 17 ASP 13 18 ASP 14 19 GLU 15 20 VAL 16 21 VAL 17 22 LEU 18 23 GLN 19 24 CYS 20 25 THR 21 26 ALA 22 27 THR 23 28 ILE 24 29 HIS 25 30 LYS 26 31 GLU 27 32 GLN 28 33 GLN 29 34 LYS 30 35 LEU 31 36 CYS 32 37 LEU 33 38 ALA 34 39 ALA 35 40 GLU 36 41 GLY 37 42 PHE 38 43 GLY 39 44 ASN 40 45 ARG 41 46 LEU 42 47 CYS 43 48 PHE 44 49 LEU 45 50 GLU 46 51 SER 47 52 THR 48 53 SER 49 54 ASN 50 55 SER 51 56 LYS 52 57 GLN 53 58 VAL 54 59 ASP 55 60 VAL 56 61 GLU 57 62 LYS 58 98 TRP 59 99 LYS 60 100 PHE 61 101 MET 62 102 MET 63 103 LYS 64 104 THR 65 105 ALA 66 106 GLN 67 107 GLY 68 108 GLY 69 109 GLY 70 110 HIS 71 111 ARG 72 112 THR 73 113 LEU 74 114 LEU 75 115 TYR 76 116 GLY 77 117 HIS 78 118 ALA 79 119 ILE 80 120 LEU 81 121 LEU 82 122 ARG 83 123 HIS 84 124 SER 85 125 TYR 86 126 SER 87 127 GLY 88 128 MET 89 129 TYR 90 130 LEU 91 131 CYS 92 132 CYS 93 133 LEU 94 134 SER 95 135 THR 96 136 SER 97 137 ARG 98 138 SER 99 139 SER 100 140 THR 101 141 ASP 102 142 LYS 103 143 LEU 104 144 ALA 105 145 PHE 106 146 ASP 107 147 VAL 108 148 GLY 109 149 LEU 110 150 GLN 111 151 GLU 112 152 ASP 113 153 THR 114 154 THR 115 155 GLY 116 156 GLU 117 157 ALA 118 158 CYS 119 159 TRP 120 160 TRP 121 161 THR 122 162 ILE 123 163 HIS 124 164 PRO 125 165 ALA 126 166 SER 127 167 LYS 128 168 GLN 129 169 ARG 130 170 SER 131 171 GLU 132 172 GLY 133 173 GLU 134 174 LYS 135 175 VAL 136 176 ARG 137 177 VAL 138 178 GLY 139 179 ASP 140 180 ASP 141 181 LEU 142 182 ILE 143 183 LEU 144 184 VAL 145 185 SER 146 186 VAL 147 187 SER 148 188 SER 149 189 GLU 150 190 ARG 151 191 TYR 152 192 LEU 153 193 HIS 154 194 LEU 155 195 SER 156 196 TYR 157 197 GLY 158 198 ASN 159 199 SER 160 200 SER 161 201 TRP 162 202 HIS 163 203 VAL 164 204 ASP 165 205 ALA 166 206 ALA 167 207 PHE 168 208 GLN 169 209 GLN 170 210 THR 171 211 LEU 172 212 TRP 173 213 SER 174 214 VAL 175 215 ALA 176 216 PRO 177 217 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3QR5 "Structure Of The First Domain Of A Cardiac Ryanodine Receptor Mutant With Exon 3 Deleted" 97.74 185 100.00 100.00 2.02e-124 GB EGW04831 "Ryanodine receptor 2 [Cricetulus griseus]" 64.41 2233 100.00 100.00 9.17e-70 REF XP_002923703 "PREDICTED: ryanodine receptor 2 [Ailuropoda melanoleuca]" 71.19 4932 98.41 98.41 3.02e-77 REF XP_003473556 "PREDICTED: ryanodine receptor 2 [Cavia porcellus]" 71.19 4890 97.62 97.62 2.39e-76 REF XP_003893766 "PREDICTED: ryanodine receptor 2 isoform X3 [Papio anubis]" 71.19 2802 98.41 98.41 7.68e-77 REF XP_004028704 "PREDICTED: LOW QUALITY PROTEIN: ryanodine receptor 2-like [Gorilla gorilla gorilla]" 66.10 4470 98.29 98.29 2.34e-70 REF XP_004416638 "PREDICTED: ryanodine receptor 2-like, partial [Odobenus rosmarus divergens]" 64.97 1481 98.26 98.26 6.77e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RyR2A 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $RyR2A 'recombinant technology' . Escherichia coli . pET-32a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'delta exon 3 RyR2A 10-217' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RyR2A 0.6 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 5 mM 'natural abundance' TCEP 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_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_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.328 . M pH 7.4 . pH pressure 1 . atm temperature 288 . 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 HN(CO)CA' '3D HN(COCA)CB' '3D HNCA' '3D HNCO' 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 'RyR2A delta exon 3' _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 9 4 SER H H 8.221 0.040 1 2 9 4 SER N N 116.284 0.400 1 3 10 5 GLU H H 8.508 0.040 1 4 10 5 GLU CA C 56.046 0.400 1 5 10 5 GLU CB C 29.241 0.400 1 6 10 5 GLU N N 123.329 0.400 1 7 11 6 ILE H H 8.084 0.040 1 8 11 6 ILE CA C 60.798 0.400 1 9 11 6 ILE CB C 37.292 0.400 1 10 11 6 ILE N N 123.28 0.400 1 11 12 7 GLN H H 8.272 0.040 1 12 12 7 GLN CA C 54.442 0.400 1 13 12 7 GLN CB C 29.588 0.400 1 14 12 7 GLN N N 124.771 0.400 1 15 13 8 PHE H H 8.204 0.040 1 16 13 8 PHE CA C 56.3 0.400 1 17 13 8 PHE CB C 40.743 0.400 1 18 13 8 PHE N N 121.789 0.400 1 19 14 9 LEU H H 8.508 0.040 1 20 14 9 LEU CA C 54.179 0.400 1 21 14 9 LEU CB C 42.487 0.400 1 22 14 9 LEU N N 124.487 0.400 1 23 15 10 ARG H H 8.4 0.040 1 24 15 10 ARG CA C 52.858 0.400 1 25 15 10 ARG CB C 33.45 0.400 1 26 15 10 ARG N N 121.672 0.400 1 27 16 11 THR H H 8.773 0.040 1 28 16 11 THR CA C 61.593 0.400 1 29 16 11 THR CB C 69.839 0.400 1 30 16 11 THR N N 110.205 0.400 1 31 17 12 ASP H H 8.876 0.040 1 32 17 12 ASP CA C 57.082 0.400 1 33 17 12 ASP CB C 39.475 0.400 1 34 17 12 ASP N N 113.216 0.400 1 35 18 13 ASP H H 7.734 0.040 1 36 18 13 ASP CA C 53.146 0.400 1 37 18 13 ASP CB C 41.407 0.400 1 38 18 13 ASP N N 120.607 0.400 1 39 19 14 GLU H H 8.921 0.040 1 40 19 14 GLU CA C 56.85 0.400 1 41 19 14 GLU CB C 30.181 0.400 1 42 19 14 GLU N N 123.896 0.400 1 43 20 15 VAL H H 9.665 0.040 1 44 20 15 VAL CA C 58.672 0.400 1 45 20 15 VAL CB C 36.343 0.400 1 46 20 15 VAL N N 118.971 0.400 1 47 21 16 VAL H H 8.306 0.040 1 48 21 16 VAL CA C 59.474 0.400 1 49 21 16 VAL CB C 33.732 0.400 1 50 21 16 VAL N N 115.313 0.400 1 51 22 17 LEU H H 10.174 0.040 1 52 22 17 LEU CA C 54.97 0.400 1 53 22 17 LEU CB C 42.214 0.400 1 54 22 17 LEU N N 127.998 0.400 1 55 23 18 GLN H H 8.984 0.040 1 56 23 18 GLN CA C 52.832 0.400 1 57 23 18 GLN CB C 32.905 0.400 1 58 23 18 GLN N N 120.15 0.400 1 59 24 19 CYS H H 8.966 0.040 1 60 24 19 CYS CA C 54.448 0.400 1 61 24 19 CYS CB C 29.628 0.400 1 62 24 19 CYS N N 118.511 0.400 1 63 25 20 THR H H 8.495 0.040 1 64 25 20 THR CA C 61.347 0.400 1 65 25 20 THR CB C 69.297 0.400 1 66 25 20 THR N N 116.267 0.400 1 67 26 21 ALA H H 8.598 0.040 1 68 26 21 ALA CA C 49.871 0.400 1 69 26 21 ALA CB C 20.573 0.400 1 70 26 21 ALA N N 130.119 0.400 1 71 27 22 THR H H 8.045 0.040 1 72 27 22 THR CA C 61.347 0.400 1 73 27 22 THR CB C 68.996 0.400 1 74 27 22 THR N N 117.088 0.400 1 75 28 23 ILE H H 8.521 0.040 1 76 28 23 ILE CA C 60.056 0.400 1 77 28 23 ILE CB C 38.908 0.400 1 78 28 23 ILE N N 126.822 0.400 1 79 32 27 GLN H H 8.628 0.040 1 80 32 27 GLN CA C 54.967 0.400 1 81 32 27 GLN CB C 29.474 0.400 1 82 32 27 GLN N N 122.92 0.400 1 83 33 28 GLN H H 8.801 0.040 1 84 33 28 GLN CA C 53.92 0.400 1 85 33 28 GLN CB C 31.249 0.400 1 86 33 28 GLN N N 123.314 0.400 1 87 34 29 LYS H H 8.45 0.040 1 88 34 29 LYS CA C 54.73 0.400 1 89 34 29 LYS CB C 32.078 0.400 1 90 34 29 LYS N N 123.434 0.400 1 91 35 30 LEU H H 8.743 0.040 1 92 35 30 LEU CA C 52.342 0.400 1 93 35 30 LEU CB C 44.222 0.400 1 94 35 30 LEU N N 125.302 0.400 1 95 36 31 CYS H H 8.775 0.040 1 96 36 31 CYS CA C 55.494 0.400 1 97 36 31 CYS CB C 29.011 0.400 1 98 36 31 CYS N N 117.571 0.400 1 99 37 32 LEU H H 8.183 0.040 1 100 37 32 LEU CA C 55.593 0.400 1 101 37 32 LEU CB C 41.822 0.400 1 102 37 32 LEU N N 125.068 0.400 1 103 38 33 ALA H H 8.611 0.040 1 104 38 33 ALA CA C 49.91 0.400 1 105 38 33 ALA CB C 23.416 0.400 1 106 38 33 ALA N N 126.477 0.400 1 107 39 34 ALA H H 7.206 0.040 1 108 39 34 ALA CA C 51.099 0.400 1 109 39 34 ALA CB C 20.877 0.400 1 110 39 34 ALA N N 115.701 0.400 1 111 40 35 GLU H H 8.451 0.040 1 112 40 35 GLU CA C 55.106 0.400 1 113 40 35 GLU CB C 31.403 0.400 1 114 40 35 GLU N N 119.551 0.400 1 115 41 36 GLY H H 8.506 0.040 1 116 41 36 GLY CA C 45.014 0.400 1 117 41 36 GLY N N 108.681 0.400 1 118 43 38 GLY H H 8.588 0.040 1 119 43 38 GLY CA C 44.747 0.400 1 120 43 38 GLY N N 109.736 0.400 1 121 44 39 ASN H H 7.949 0.040 1 122 44 39 ASN CA C 53.91 0.400 1 123 44 39 ASN CB C 37.574 0.400 1 124 44 39 ASN N N 116.518 0.400 1 125 45 40 ARG H H 7.699 0.040 1 126 45 40 ARG CA C 55.504 0.400 1 127 45 40 ARG CB C 30.457 0.400 1 128 45 40 ARG N N 118.291 0.400 1 129 46 41 LEU H H 8.635 0.040 1 130 46 41 LEU CA C 54.432 0.400 1 131 46 41 LEU CB C 41.67 0.400 1 132 46 41 LEU N N 125.664 0.400 1 133 48 43 PHE H H 8.704 0.040 1 134 48 43 PHE CA C 56.706 0.400 1 135 48 43 PHE CB C 41.977 0.400 1 136 48 43 PHE N N 115.34 0.400 1 137 49 44 LEU H H 9.042 0.040 1 138 49 44 LEU CA C 52.675 0.400 1 139 49 44 LEU CB C 43.015 0.400 1 140 49 44 LEU N N 122.39 0.400 1 141 50 45 GLU H H 8.883 0.040 1 142 50 45 GLU CA C 56.573 0.400 1 143 50 45 GLU CB C 29.365 0.400 1 144 50 45 GLU N N 122.728 0.400 1 145 51 46 SER H H 8.432 0.040 1 146 51 46 SER CA C 58.559 0.400 1 147 51 46 SER CB C 62.991 0.400 1 148 51 46 SER N N 118.97 0.400 1 149 98 58 TRP H H 9.359 0.040 1 150 98 58 TRP CA C 55.283 0.400 1 151 98 58 TRP CB C 32.91 0.400 1 152 98 58 TRP N N 123.787 0.400 1 153 99 59 LYS H H 7.568 0.040 1 154 99 59 LYS CA C 55.698 0.400 1 155 99 59 LYS CB C 37.192 0.400 1 156 99 59 LYS N N 115.631 0.400 1 157 100 60 PHE H H 9.68 0.040 1 158 100 60 PHE CA C 56.839 0.400 1 159 100 60 PHE CB C 39.722 0.400 1 160 100 60 PHE N N 122.258 0.400 1 161 101 61 MET H H 9.334 0.040 1 162 101 61 MET CA C 53.902 0.400 1 163 101 61 MET CB C 37.014 0.400 1 164 101 61 MET N N 119.561 0.400 1 165 102 62 MET H H 8.743 0.040 1 166 102 62 MET CA C 54.958 0.400 1 167 102 62 MET CB C 35.373 0.400 1 168 102 62 MET N N 118.169 0.400 1 169 103 63 LYS H H 8.578 0.040 1 170 103 63 LYS CA C 55.23 0.400 1 171 103 63 LYS CB C 32.334 0.400 1 172 103 63 LYS N N 120.147 0.400 1 173 104 64 THR H H 8.197 0.040 1 174 104 64 THR CA C 61.611 0.400 1 175 104 64 THR CB C 69.279 0.400 1 176 104 64 THR N N 114.637 0.400 1 177 105 65 ALA H H 8.244 0.040 1 178 105 65 ALA CA C 52.034 0.400 1 179 105 65 ALA CB C 18.685 0.400 1 180 105 65 ALA N N 126.009 0.400 1 181 106 66 GLN H H 8.359 0.040 1 182 106 66 GLN CA C 56.029 0.400 1 183 106 66 GLN CB C 28.534 0.400 1 184 106 66 GLN N N 119.622 0.400 1 185 108 68 GLY H H 8.343 0.040 1 186 108 68 GLY CA C 44.742 0.400 1 187 108 68 GLY N N 109.598 0.400 1 188 109 69 GLY H H 8.274 0.040 1 189 109 69 GLY CA C 44.208 0.400 1 190 109 69 GLY N N 109.295 0.400 1 191 110 70 HIS H H 8.561 0.040 1 192 110 70 HIS CA C 55.475 0.400 1 193 110 70 HIS CB C 27.853 0.400 1 194 110 70 HIS N N 119.39 0.400 1 195 111 71 ARG H H 8.431 0.040 1 196 111 71 ARG CA C 54.485 0.400 1 197 111 71 ARG CB C 31.017 0.400 1 198 111 71 ARG N N 122.002 0.400 1 199 112 72 THR H H 8.598 0.040 1 200 112 72 THR CA C 63.799 0.400 1 201 112 72 THR CB C 68.468 0.400 1 202 112 72 THR N N 120.612 0.400 1 203 113 73 LEU H H 8.534 0.040 1 204 113 73 LEU CA C 54.431 0.400 1 205 113 73 LEU CB C 41.388 0.400 1 206 113 73 LEU N N 128.579 0.400 1 207 114 74 LEU H H 8.05 0.040 1 208 114 74 LEU CA C 51.351 0.400 1 209 114 74 LEU CB C 42.765 0.400 1 210 114 74 LEU N N 120.278 0.400 1 211 115 75 TYR H H 8.672 0.040 1 212 115 75 TYR CA C 54.535 0.400 1 213 115 75 TYR CB C 37.192 0.400 1 214 115 75 TYR N N 119.43 0.400 1 215 116 76 GLY H H 9.734 0.040 1 216 116 76 GLY CA C 44.606 0.400 1 217 116 76 GLY N N 114.762 0.400 1 218 117 77 HIS H H 7.918 0.040 1 219 117 77 HIS CA C 55.77 0.400 1 220 117 77 HIS CB C 32.072 0.400 1 221 117 77 HIS N N 121.556 0.400 1 222 118 78 ALA H H 8.4 0.040 1 223 118 78 ALA CA C 50.71 0.400 1 224 118 78 ALA CB C 18.926 0.400 1 225 118 78 ALA N N 124.487 0.400 1 226 119 79 ILE H H 10.11 0.040 1 227 119 79 ILE CA C 57.987 0.400 1 228 119 79 ILE CB C 43.366 0.400 1 229 119 79 ILE N N 117.447 0.400 1 230 120 80 LEU H H 8.737 0.040 1 231 120 80 LEU CA C 52.654 0.400 1 232 120 80 LEU CB C 44.121 0.400 1 233 120 80 LEU N N 120.146 0.400 1 234 121 81 LEU H H 10.158 0.040 1 235 121 81 LEU CA C 53.845 0.400 1 236 121 81 LEU CB C 43.291 0.400 1 237 121 81 LEU N N 126.026 0.400 1 238 122 82 ARG H H 9.168 0.040 1 239 122 82 ARG CA C 54.162 0.400 1 240 122 82 ARG CB C 31.944 0.400 1 241 122 82 ARG N N 123.605 0.400 1 242 123 83 HIS H H 9.524 0.040 1 243 123 83 HIS CA C 55.498 0.400 1 244 123 83 HIS CB C 31.002 0.400 1 245 123 83 HIS N N 134.794 0.400 1 246 124 84 SER H H 8.102 0.040 1 247 124 84 SER CA C 61.59 0.400 1 248 124 84 SER CB C 62.351 0.400 1 249 124 84 SER N N 128.119 0.400 1 250 125 85 TYR H H 9.329 0.040 1 251 125 85 TYR CA C 60.02 0.400 1 252 125 85 TYR CB C 37.5 0.400 1 253 125 85 TYR N N 122.259 0.400 1 254 126 86 SER H H 6.906 0.040 1 255 126 86 SER CA C 58.445 0.400 1 256 126 86 SER CB C 64.744 0.400 1 257 126 86 SER N N 110.298 0.400 1 258 127 87 GLY H H 8.032 0.040 1 259 127 87 GLY CA C 45.404 0.400 1 260 127 87 GLY N N 113.693 0.400 1 261 128 88 MET H H 7.426 0.040 1 262 128 88 MET CA C 54.969 0.400 1 263 128 88 MET CB C 35.185 0.400 1 264 128 88 MET N N 118.842 0.400 1 265 129 89 TYR H H 8.883 0.040 1 266 129 89 TYR CA C 57.654 0.400 1 267 129 89 TYR CB C 39.198 0.400 1 268 129 89 TYR N N 116.986 0.400 1 269 130 90 LEU H H 8.809 0.040 1 270 130 90 LEU CA C 55.768 0.400 1 271 130 90 LEU CB C 43.319 0.400 1 272 130 90 LEU N N 124.491 0.400 1 273 131 91 CYS H H 9.608 0.040 1 274 131 91 CYS CA C 56.022 0.400 1 275 131 91 CYS CB C 31.789 0.400 1 276 131 91 CYS N N 127.07 0.400 1 277 132 92 CYS H H 8.197 0.040 1 278 132 92 CYS CA C 58.687 0.400 1 279 132 92 CYS CB C 26.773 0.400 1 280 132 92 CYS N N 124.952 0.400 1 281 133 93 LEU H H 9.001 0.040 1 282 133 93 LEU CA C 54.167 0.400 1 283 133 93 LEU CB C 41.106 0.400 1 284 133 93 LEU N N 131.3 0.400 1 285 134 94 SER H H 8.21 0.040 1 286 134 94 SER CA C 57.633 0.400 1 287 134 94 SER CB C 63.017 0.400 1 288 134 94 SER N N 112.059 0.400 1 289 135 95 THR H H 7.294 0.040 1 290 135 95 THR CA C 60.023 0.400 1 291 135 95 THR CB C 70.308 0.400 1 292 135 95 THR N N 111.816 0.400 1 293 136 96 SER H H 8.559 0.040 1 294 136 96 SER CA C 56.957 0.400 1 295 136 96 SER CB C 64.068 0.400 1 296 136 96 SER N N 117.33 0.400 1 297 137 97 ARG H H 9.257 0.040 1 298 137 97 ARG CA C 56.301 0.400 1 299 137 97 ARG CB C 29.904 0.400 1 300 137 97 ARG N N 124.955 0.400 1 301 138 98 SER H H 8.677 0.040 1 302 138 98 SER CA C 58.417 0.400 1 303 138 98 SER CB C 63.277 0.400 1 304 138 98 SER N N 116.328 0.400 1 305 143 103 LEU H H 8.242 0.040 1 306 143 103 LEU N N 119.564 0.400 1 307 144 104 ALA H H 7.607 0.040 1 308 144 104 ALA CA C 50.693 0.400 1 309 144 104 ALA CB C 20.136 0.400 1 310 144 104 ALA N N 123.998 0.400 1 311 145 105 PHE H H 8.654 0.040 1 312 145 105 PHE CA C 55.238 0.400 1 313 145 105 PHE CB C 41.591 0.400 1 314 145 105 PHE N N 120.271 0.400 1 315 146 106 ASP H H 8.666 0.040 1 316 146 106 ASP CA C 53.905 0.400 1 317 146 106 ASP CB C 41.896 0.400 1 318 146 106 ASP N N 119.794 0.400 1 319 147 107 VAL H H 8.363 0.040 1 320 147 107 VAL CA C 59.73 0.400 1 321 147 107 VAL CB C 34.49 0.400 1 322 147 107 VAL N N 117.005 0.400 1 323 148 108 GLY H H 8.668 0.040 1 324 148 108 GLY CA C 44.616 0.400 1 325 148 108 GLY N N 112.306 0.400 1 326 149 109 LEU H H 8.343 0.040 1 327 149 109 LEU CA C 53.106 0.400 1 328 149 109 LEU CB C 43.851 0.400 1 329 149 109 LEU N N 121.08 0.400 1 330 150 110 GLN H H 9.284 0.040 1 331 150 110 GLN CA C 54.169 0.400 1 332 150 110 GLN CB C 32.098 0.400 1 333 150 110 GLN N N 119.216 0.400 1 334 151 111 GLU H H 8.877 0.040 1 335 151 111 GLU CA C 58.157 0.400 1 336 151 111 GLU CB C 30.445 0.400 1 337 151 111 GLU N N 121.319 0.400 1 338 152 112 ASP H H 7.942 0.040 1 339 152 112 ASP CA C 53.619 0.400 1 340 152 112 ASP CB C 41.658 0.400 1 341 152 112 ASP N N 118.129 0.400 1 342 153 113 THR H H 8.069 0.040 1 343 153 113 THR CA C 60.553 0.400 1 344 153 113 THR CB C 68.176 0.400 1 345 153 113 THR N N 112.638 0.400 1 346 154 114 THR H H 8.012 0.040 1 347 154 114 THR CA C 63.426 0.400 1 348 154 114 THR CB C 69.143 0.400 1 349 154 114 THR N N 116.971 0.400 1 350 155 115 GLY H H 8.406 0.040 1 351 155 115 GLY CA C 44.2 0.400 1 352 155 115 GLY N N 111.466 0.400 1 353 156 116 GLU H H 8.406 0.040 1 354 156 116 GLU CA C 57.614 0.400 1 355 156 116 GLU CB C 30.715 0.400 1 356 156 116 GLU N N 118.043 0.400 1 357 157 117 ALA H H 8.172 0.040 1 358 157 117 ALA CA C 54.42 0.400 1 359 157 117 ALA CB C 17.975 0.400 1 360 157 117 ALA N N 121.087 0.400 1 361 158 118 CYS H H 8.114 0.040 1 362 158 118 CYS CA C 56.56 0.400 1 363 158 118 CYS CB C 27.425 0.400 1 364 158 118 CYS N N 114.472 0.400 1 365 159 119 TRP H H 7.529 0.040 1 366 159 119 TRP CA C 56.414 0.400 1 367 159 119 TRP CB C 29.625 0.400 1 368 159 119 TRP N N 121.091 0.400 1 369 160 120 TRP H H 9.741 0.040 1 370 160 120 TRP CA C 55.226 0.400 1 371 160 120 TRP CB C 31.017 0.400 1 372 160 120 TRP N N 126.469 0.400 1 373 161 121 THR H H 10.242 0.040 1 374 161 121 THR CA C 60.799 0.400 1 375 161 121 THR CB C 69.606 0.400 1 376 161 121 THR N N 117.93 0.400 1 377 162 122 ILE H H 7.708 0.040 1 378 162 122 ILE CA C 60.566 0.400 1 379 162 122 ILE CB C 38.372 0.400 1 380 162 122 ILE N N 121.876 0.400 1 381 163 123 HIS H H 9.856 0.040 1 382 163 123 HIS CA C 52.933 0.400 1 383 163 123 HIS CB C 31.635 0.400 1 384 163 123 HIS N N 128.712 0.400 1 385 165 125 ALA H H 8.197 0.040 1 386 165 125 ALA CA C 51.841 0.400 1 387 165 125 ALA CB C 19.75 0.400 1 388 165 125 ALA N N 122.272 0.400 1 389 166 126 SER H H 7.672 0.040 1 390 166 126 SER CA C 56.305 0.400 1 391 166 126 SER CB C 64.666 0.400 1 392 166 126 SER N N 111.473 0.400 1 393 168 128 GLN H H 8.127 0.040 1 394 168 128 GLN CA C 56.554 0.400 1 395 168 128 GLN CB C 28.239 0.400 1 396 168 128 GLN N N 117.931 0.400 1 397 169 129 ARG H H 7.171 0.040 1 398 169 129 ARG CA C 52.302 0.400 1 399 169 129 ARG CB C 31.944 0.400 1 400 169 129 ARG N N 117.114 0.400 1 401 170 130 SER H H 8.26 0.040 1 402 170 130 SER CA C 56.489 0.400 1 403 170 130 SER CB C 65.592 0.400 1 404 170 130 SER N N 114.517 0.400 1 405 171 131 GLU H H 8.531 0.040 1 406 171 131 GLU CA C 58.183 0.400 1 407 171 131 GLU CB C 28.471 0.400 1 408 171 131 GLU N N 121.69 0.400 1 409 172 132 GLY H H 8.781 0.040 1 410 172 132 GLY CA C 44.866 0.400 1 411 172 132 GLY N N 113.469 0.400 1 412 173 133 GLU H H 7.864 0.040 1 413 173 133 GLU CA C 55.134 0.400 1 414 173 133 GLU CB C 30.554 0.400 1 415 173 133 GLU N N 119.698 0.400 1 416 174 134 LYS H H 8.229 0.040 1 417 174 134 LYS CA C 56.805 0.400 1 418 174 134 LYS CB C 33.651 0.400 1 419 174 134 LYS N N 120.626 0.400 1 420 175 135 VAL H H 8.152 0.040 1 421 175 135 VAL CA C 62.245 0.400 1 422 175 135 VAL CB C 30.554 0.400 1 423 175 135 VAL N N 123.082 0.400 1 424 176 136 ARG H H 7.688 0.040 1 425 176 136 ARG CA C 55.455 0.400 1 426 176 136 ARG CB C 30.17 0.400 1 427 176 136 ARG N N 127.873 0.400 1 428 179 139 ASP H H 7.807 0.040 1 429 179 139 ASP CA C 54.01 0.400 1 430 179 139 ASP CB C 39.994 0.400 1 431 179 139 ASP N N 122.393 0.400 1 432 180 140 ASP H H 8.559 0.040 1 433 180 140 ASP CA C 53.888 0.400 1 434 180 140 ASP CB C 41.652 0.400 1 435 180 140 ASP N N 122.283 0.400 1 436 181 141 LEU H H 9.855 0.040 1 437 181 141 LEU CA C 53.822 0.400 1 438 181 141 LEU CB C 44.395 0.400 1 439 181 141 LEU N N 121.084 0.400 1 440 182 142 ILE H H 8.445 0.040 1 441 182 142 ILE CA C 59.869 0.400 1 442 182 142 ILE CB C 39.43 0.400 1 443 182 142 ILE N N 120.503 0.400 1 444 183 143 LEU H H 8.972 0.040 1 445 183 143 LEU CA C 53.382 0.400 1 446 183 143 LEU CB C 44.112 0.400 1 447 183 143 LEU N N 128.115 0.400 1 448 184 144 VAL H H 9.204 0.040 1 449 184 144 VAL CA C 60.206 0.400 1 450 184 144 VAL CB C 33.487 0.400 1 451 184 144 VAL N N 123.31 0.400 1 452 185 145 SER H H 9.274 0.040 1 453 185 145 SER CA C 57.071 0.400 1 454 185 145 SER CB C 62.042 0.400 1 455 185 145 SER N N 124.224 0.400 1 456 186 146 VAL H H 8.342 0.040 1 457 186 146 VAL CA C 65.22 0.400 1 458 186 146 VAL CB C 30.983 0.400 1 459 186 146 VAL N N 132.224 0.400 1 460 187 147 SER H H 7.18 0.040 1 461 187 147 SER CA C 59.748 0.400 1 462 187 147 SER CB C 61.624 0.400 1 463 187 147 SER N N 110.988 0.400 1 464 188 148 SER H H 7.924 0.040 1 465 188 148 SER CA C 58.413 0.400 1 466 188 148 SER CB C 66.21 0.400 1 467 188 148 SER N N 114.759 0.400 1 468 189 149 GLU H H 7.844 0.040 1 469 189 149 GLU CA C 58.145 0.400 1 470 189 149 GLU CB C 26.696 0.400 1 471 189 149 GLU N N 118.4 0.400 1 472 190 150 ARG H H 6.742 0.040 1 473 190 150 ARG CA C 53.688 0.400 1 474 190 150 ARG CB C 31.55 0.400 1 475 190 150 ARG N N 116.733 0.400 1 476 191 151 TYR H H 8.921 0.040 1 477 191 151 TYR CA C 56.83 0.400 1 478 191 151 TYR CB C 38.735 0.400 1 479 191 151 TYR N N 118.846 0.400 1 480 192 152 LEU H H 8.858 0.040 1 481 192 152 LEU CA C 56.563 0.400 1 482 192 152 LEU CB C 40.93 0.400 1 483 192 152 LEU N N 123.297 0.400 1 484 193 153 HIS H H 10.204 0.040 1 485 193 153 HIS CA C 55.771 0.400 1 486 193 153 HIS CB C 31.172 0.400 1 487 193 153 HIS N N 134.217 0.400 1 488 194 154 LEU H H 7.758 0.040 1 489 194 154 LEU CA C 53.832 0.400 1 490 194 154 LEU CB C 43.134 0.400 1 491 194 154 LEU N N 128.589 0.400 1 492 195 155 SER H H 9.08 0.040 1 493 195 155 SER CA C 56.283 0.400 1 494 195 155 SER CB C 65.438 0.400 1 495 195 155 SER N N 122.728 0.400 1 496 196 156 TYR H H 8.533 0.040 1 497 196 156 TYR CA C 56.444 0.400 1 498 196 156 TYR CB C 39.198 0.400 1 499 196 156 TYR N N 124.607 0.400 1 500 197 157 GLY H H 8.01 0.040 1 501 197 157 GLY CA C 44.849 0.400 1 502 197 157 GLY N N 114.307 0.400 1 503 200 160 SER H H 6.914 0.040 1 504 200 160 SER CA C 56.302 0.400 1 505 200 160 SER CB C 64.744 0.400 1 506 200 160 SER N N 113.346 0.400 1 507 201 161 TRP H H 8.159 0.040 1 508 201 161 TRP CA C 56.302 0.400 1 509 201 161 TRP CB C 30.786 0.400 1 510 201 161 TRP N N 121.668 0.400 1 511 202 162 HIS H H 9.303 0.040 1 512 202 162 HIS CA C 54.964 0.400 1 513 202 162 HIS CB C 32.351 0.400 1 514 202 162 HIS N N 121.442 0.400 1 515 203 163 VAL H H 8.496 0.040 1 516 203 163 VAL CA C 57.89 0.400 1 517 203 163 VAL CB C 33.449 0.400 1 518 203 163 VAL N N 119.083 0.400 1 519 204 164 ASP H H 9.785 0.040 1 520 204 164 ASP CA C 52.854 0.400 1 521 204 164 ASP CB C 41.94 0.400 1 522 204 164 ASP N N 128.813 0.400 1 523 205 165 ALA H H 9.296 0.040 1 524 205 165 ALA CA C 49.633 0.400 1 525 205 165 ALA CB C 18.824 0.400 1 526 205 165 ALA N N 120.959 0.400 1 527 206 166 ALA H H 9.085 0.040 1 528 206 166 ALA CA C 49.788 0.400 1 529 206 166 ALA CB C 23.145 0.400 1 530 206 166 ALA N N 127.302 0.400 1 531 207 167 PHE H H 8.915 0.040 1 532 207 167 PHE CA C 59.212 0.400 1 533 207 167 PHE CB C 37.427 0.400 1 534 207 167 PHE N N 118.047 0.400 1 535 208 168 GLN H H 6.616 0.040 1 536 208 168 GLN CA C 54.622 0.400 1 537 208 168 GLN CB C 29.812 0.400 1 538 208 168 GLN N N 117.5 0.400 1 539 209 169 GLN H H 8.14 0.040 1 540 209 169 GLN CA C 55.773 0.400 1 541 209 169 GLN CB C 29.088 0.400 1 542 209 169 GLN N N 117.477 0.400 1 543 210 170 THR H H 6.583 0.040 1 544 210 170 THR CA C 62.396 0.400 1 545 210 170 THR CB C 72.075 0.400 1 546 210 170 THR N N 117.092 0.400 1 547 211 171 LEU H H 8.37 0.040 1 548 211 171 LEU CA C 54.435 0.400 1 549 211 171 LEU CB C 40.742 0.400 1 550 211 171 LEU N N 126.86 0.400 1 551 212 172 TRP H H 9.601 0.040 1 552 212 172 TRP CA C 55.482 0.400 1 553 212 172 TRP CB C 30.169 0.400 1 554 212 172 TRP N N 126.831 0.400 1 555 213 173 SER H H 9.675 0.040 1 556 213 173 SER CA C 56.599 0.400 1 557 213 173 SER CB C 64.358 0.400 1 558 213 173 SER N N 117.978 0.400 1 559 214 174 VAL CA C 60.29 0.400 1 560 214 174 VAL CB C 32.793 0.400 1 561 215 175 ALA H H 8.681 0.040 1 562 215 175 ALA CA C 48.529 0.400 1 563 215 175 ALA CB C 19.441 0.400 1 564 215 175 ALA N N 130.227 0.400 1 565 217 177 ILE H H 7.784 0.040 1 566 217 177 ILE N N 126.199 0.400 1 stop_ save_