data_26922 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; First RRM domain of MEC-8 ; _BMRB_accession_number 26922 _BMRB_flat_file_name bmr26922.str _Entry_type original _Submission_date 2016-10-24 _Accession_date 2016-10-24 _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 Soufari Heddy . . 2 Mackereth Cameron . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 180 "13C chemical shifts" 214 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-26 original BMRB . stop_ _Original_release_date 2016-10-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conserved binding of GCAC motifs by MEC-8, couch potato and the RBPMS protein family ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28003515 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Soufari Heddy . . 2 Mackereth Cameron D. . stop_ _Journal_abbreviation RNA _Journal_volume 23 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 308 _Page_last 316 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'First RRM domain of MEC-8' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MEC-8 RRM1, chain 1' $MEC-8_RRM1 'MEC-8 RRM1, chain 2' $MEC-8_RRM1 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_MEC-8_RRM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MEC-8_RRM1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Alternative splicing' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GAMASQVRTLFVSGLPMDAK PRELYLLFRGARGYEGALLK MTSKNGKPTSPVGFVTFLSQ QDAQDARKMLQGVRFDPEAA QVLRLELAKSNTKVARPKQS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 24 GLY 2 25 ALA 3 26 MET 4 27 ALA 5 28 SER 6 29 GLN 7 30 VAL 8 31 ARG 9 32 THR 10 33 LEU 11 34 PHE 12 35 VAL 13 36 SER 14 37 GLY 15 38 LEU 16 39 PRO 17 40 MET 18 41 ASP 19 42 ALA 20 43 LYS 21 44 PRO 22 45 ARG 23 46 GLU 24 47 LEU 25 48 TYR 26 49 LEU 27 50 LEU 28 51 PHE 29 52 ARG 30 53 GLY 31 54 ALA 32 55 ARG 33 56 GLY 34 57 TYR 35 58 GLU 36 59 GLY 37 60 ALA 38 61 LEU 39 62 LEU 40 63 LYS 41 64 MET 42 65 THR 43 66 SER 44 67 LYS 45 68 ASN 46 69 GLY 47 70 LYS 48 71 PRO 49 72 THR 50 73 SER 51 74 PRO 52 75 VAL 53 76 GLY 54 77 PHE 55 78 VAL 56 79 THR 57 80 PHE 58 81 LEU 59 82 SER 60 83 GLN 61 84 GLN 62 85 ASP 63 86 ALA 64 87 GLN 65 88 ASP 66 89 ALA 67 90 ARG 68 91 LYS 69 92 MET 70 93 LEU 71 94 GLN 72 95 GLY 73 96 VAL 74 97 ARG 75 98 PHE 76 99 ASP 77 100 PRO 78 101 GLU 79 102 ALA 80 103 ALA 81 104 GLN 82 105 VAL 83 106 LEU 84 107 ARG 85 108 LEU 86 109 GLU 87 110 LEU 88 111 ALA 89 112 LYS 90 113 SER 91 114 ASN 92 115 THR 93 116 LYS 94 117 VAL 95 118 ALA 96 119 ARG 97 120 PRO 98 121 LYS 99 122 GLN 100 123 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP G5ECJ4 'Mec-8 protein' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MEC-8_RRM1 'Caenorhabditis elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans 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 $MEC-8_RRM1 'recombinant technology' . Escherichia coli . pET-His1a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MEC-8_RRM1 300 uM '[U-99% 13C; U-99% 15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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' 200 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 . . . 0.251449530 water H 1 protons ppm 4.770 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 external 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 HNCO' '3D HNCA' '3D HNHA' '3D H(CCO)NH' '3D C(CO)NH' 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 'MEC-8 RRM1, chain 1' _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 25 2 ALA HA H 4.33 0.02 1 2 25 2 ALA CA C 52.71 0.2 1 3 25 2 ALA CB C 19.394 0.2 1 4 26 3 MET H H 8.487 0.02 1 5 26 3 MET HA H 4.439 0.02 1 6 26 3 MET CA C 55.743 0.2 1 7 26 3 MET N N 120.095 0.2 1 8 27 4 ALA H H 8.389 0.02 1 9 27 4 ALA HA H 4.303 0.02 1 10 27 4 ALA CA C 53.227 0.2 1 11 27 4 ALA CB C 19.174 0.2 1 12 27 4 ALA N N 125.426 0.2 1 13 28 5 SER H H 8.227 0.02 1 14 28 5 SER HA H 4.518 0.02 1 15 28 5 SER CA C 58.167 0.2 1 16 28 5 SER CB C 63.758 0.2 1 17 28 5 SER N N 114.502 0.2 1 18 29 6 GLN H H 8.297 0.02 1 19 29 6 GLN HE21 H 7.526 0.02 1 20 29 6 GLN HE22 H 6.947 0.02 1 21 29 6 GLN CA C 56.092 0.2 1 22 29 6 GLN CB C 29.682 0.2 1 23 29 6 GLN N N 121.854 0.2 1 24 29 6 GLN NE2 N 112.693 0.2 1 25 30 7 VAL H H 8.291 0.02 1 26 30 7 VAL N N 122.304 0.2 1 27 31 8 ARG H H 8.723 0.02 1 28 31 8 ARG HA H 4.528 0.02 1 29 31 8 ARG C C 173.048 0.2 1 30 31 8 ARG CA C 54.331 0.2 1 31 31 8 ARG N N 121.867 0.2 1 32 32 9 THR H H 7.103 0.02 1 33 32 9 THR HA H 5.355 0.02 1 34 32 9 THR C C 173.067 0.2 1 35 32 9 THR CA C 61.338 0.2 1 36 32 9 THR CB C 71.841 0.2 1 37 32 9 THR N N 116.252 0.2 1 38 33 10 LEU H H 9.826 0.02 1 39 33 10 LEU C C 175.042 0.2 1 40 33 10 LEU CA C 52.948 0.2 1 41 33 10 LEU CB C 45.161 0.2 1 42 33 10 LEU N N 124.423 0.2 1 43 34 11 PHE H H 9.625 0.02 1 44 34 11 PHE HA H 4.965 0.02 1 45 34 11 PHE C C 174.535 0.2 1 46 34 11 PHE CA C 55.956 0.2 1 47 34 11 PHE CB C 40.849 0.2 1 48 34 11 PHE N N 124.937 0.2 1 49 35 12 VAL H H 8.851 0.02 1 50 35 12 VAL HA H 4.549 0.02 1 51 35 12 VAL C C 173.387 0.2 1 52 35 12 VAL CA C 60.913 0.2 1 53 35 12 VAL CB C 33.948 0.2 1 54 35 12 VAL N N 128.889 0.2 1 55 36 13 SER H H 8.784 0.02 1 56 36 13 SER HA H 4.826 0.02 1 57 36 13 SER C C 173.166 0.2 1 58 36 13 SER CA C 56.483 0.2 1 59 36 13 SER CB C 65.603 0.2 1 60 36 13 SER N N 119.837 0.2 1 61 37 14 GLY H H 8.455 0.02 1 62 37 14 GLY C C 174.467 0.2 1 63 37 14 GLY CA C 45.398 0.2 1 64 37 14 GLY N N 108.464 0.2 1 65 38 15 LEU H H 7.547 0.02 1 66 38 15 LEU CA C 52.078 0.2 1 67 38 15 LEU N N 119.995 0.2 1 68 39 16 PRO HA H 4.599 0.02 1 69 39 16 PRO C C 176.827 0.2 1 70 39 16 PRO CA C 61.88 0.2 1 71 40 17 MET H H 8.545 0.02 1 72 40 17 MET HA H 4.08 0.02 1 73 40 17 MET C C 176.684 0.2 1 74 40 17 MET CA C 57.051 0.2 1 75 40 17 MET CG C 32.272 0.2 1 76 40 17 MET N N 116.667 0.2 1 77 41 18 ASP H H 7.749 0.02 1 78 41 18 ASP HA H 4.606 0.02 1 79 41 18 ASP C C 176.196 0.2 1 80 41 18 ASP CA C 51.943 0.2 1 81 41 18 ASP CB C 39.86 0.2 1 82 41 18 ASP N N 114.206 0.2 1 83 42 19 ALA H H 7.1 0.02 1 84 42 19 ALA HA H 4.37 0.02 1 85 42 19 ALA C C 176.49 0.2 1 86 42 19 ALA CA C 52.624 0.2 1 87 42 19 ALA CB C 19.252 0.2 1 88 42 19 ALA N N 121.392 0.2 1 89 43 20 LYS H H 9.056 0.02 1 90 43 20 LYS CA C 52.987 0.2 1 91 43 20 LYS N N 120.716 0.2 1 92 44 21 PRO HA H 4.018 0.02 1 93 44 21 PRO C C 180.083 0.2 1 94 44 21 PRO CA C 66.882 0.2 1 95 45 22 ARG H H 8.958 0.02 1 96 45 22 ARG C C 176.54 0.2 1 97 45 22 ARG CA C 59.073 0.2 1 98 45 22 ARG N N 115.476 0.2 1 99 46 23 GLU H H 7.939 0.02 1 100 46 23 GLU C C 178.201 0.2 1 101 46 23 GLU CA C 60.022 0.2 1 102 46 23 GLU N N 118.113 0.2 1 103 47 24 LEU H H 7.189 0.02 1 104 47 24 LEU HA H 4.299 0.02 1 105 47 24 LEU C C 178.201 0.2 1 106 47 24 LEU CA C 57.758 0.2 1 107 47 24 LEU N N 116.241 0.2 1 108 48 25 TYR H H 6.79 0.02 1 109 48 25 TYR C C 175.689 0.2 1 110 48 25 TYR CA C 60.119 0.2 1 111 48 25 TYR N N 119.097 0.2 1 112 49 26 LEU H H 8.293 0.02 1 113 49 26 LEU C C 177.173 0.2 1 114 49 26 LEU CA C 57.818 0.2 1 115 49 26 LEU N N 119.954 0.2 1 116 50 27 LEU H H 7.327 0.02 1 117 50 27 LEU HA H 3.749 0.02 1 118 50 27 LEU C C 178.137 0.2 1 119 50 27 LEU CA C 56.743 0.2 1 120 50 27 LEU N N 114.238 0.2 1 121 51 28 PHE H H 7.369 0.02 1 122 51 28 PHE CA C 60.382 0.2 1 123 51 28 PHE N N 112.486 0.2 1 124 52 29 ARG H H 7.9 0.02 1 125 52 29 ARG C C 176.814 0.2 1 126 52 29 ARG CA C 58.727 0.2 1 127 52 29 ARG N N 117.57 0.2 1 128 53 30 GLY H H 8.121 0.02 1 129 53 30 GLY C C 174.337 0.2 1 130 53 30 GLY CA C 44.379 0.2 1 131 53 30 GLY N N 108.629 0.2 1 132 54 31 ALA H H 8.14 0.02 1 133 54 31 ALA HA H 4.376 0.02 1 134 54 31 ALA C C 177.643 0.2 1 135 54 31 ALA CA C 51.635 0.2 1 136 54 31 ALA CB C 18.787 0.2 1 137 54 31 ALA N N 126.094 0.2 1 138 55 32 ARG H H 8.539 0.02 1 139 55 32 ARG HA H 4.077 0.02 1 140 55 32 ARG C C 177.518 0.2 1 141 55 32 ARG CA C 57.949 0.2 1 142 55 32 ARG N N 126.707 0.2 1 143 56 33 GLY H H 8.936 0.02 1 144 56 33 GLY HA2 H 4.642 0.02 1 145 56 33 GLY C C 174.641 0.2 1 146 56 33 GLY CA C 45.813 0.2 1 147 56 33 GLY N N 111.626 0.2 1 148 57 34 TYR H H 7.717 0.02 1 149 57 34 TYR C C 174.722 0.2 1 150 57 34 TYR CA C 61.127 0.2 1 151 57 34 TYR N N 120.521 0.2 1 152 58 35 GLU H H 8.034 0.02 1 153 58 35 GLU HA H 4.154 0.02 1 154 58 35 GLU C C 175.299 0.2 1 155 58 35 GLU CA C 56.796 0.2 1 156 58 35 GLU CB C 32.447 0.2 1 157 58 35 GLU N N 128.267 0.2 1 158 59 36 GLY H H 6.659 0.02 1 159 59 36 GLY C C 169.828 0.2 1 160 59 36 GLY CA C 45.96 0.2 1 161 59 36 GLY N N 105.314 0.2 1 162 60 37 ALA H H 7.902 0.02 1 163 60 37 ALA HA H 5.252 0.02 1 164 60 37 ALA C C 175.279 0.2 1 165 60 37 ALA CA C 51.333 0.2 1 166 60 37 ALA CB C 24.051 0.2 1 167 60 37 ALA N N 118.975 0.2 1 168 61 38 LEU H H 8.736 0.02 1 169 61 38 LEU HA H 4.668 0.02 1 170 61 38 LEU C C 173.87 0.2 1 171 61 38 LEU CA C 54.259 0.2 1 172 61 38 LEU CB C 46.193 0.2 1 173 61 38 LEU N N 121.947 0.2 1 174 62 39 LEU H H 8.987 0.02 1 175 62 39 LEU HA H 5 0.02 1 176 62 39 LEU C C 175.337 0.2 1 177 62 39 LEU CA C 53.559 0.2 1 178 62 39 LEU N N 126.093 0.2 1 179 63 40 LYS H H 9.385 0.02 1 180 63 40 LYS HA H 4.687 0.02 1 181 63 40 LYS C C 174.79 0.2 1 182 63 40 LYS CA C 54.914 0.2 1 183 63 40 LYS CB C 35.109 0.2 1 184 63 40 LYS N N 127.324 0.2 1 185 64 41 MET H H 8.591 0.02 1 186 64 41 MET HA H 4.707 0.02 1 187 64 41 MET C C 176.76 0.2 1 188 64 41 MET CA C 54.881 0.2 1 189 64 41 MET N N 123.497 0.2 1 190 65 42 THR H H 8.605 0.02 1 191 65 42 THR HA H 4.651 0.02 1 192 65 42 THR C C 173.637 0.2 1 193 65 42 THR CA C 60.567 0.2 1 194 65 42 THR N N 114.226 0.2 1 195 66 43 SER H H 8.321 0.02 1 196 66 43 SER CA C 57.837 0.2 1 197 66 43 SER N N 116.336 0.2 1 198 67 44 LYS H H 8.754 0.02 1 199 67 44 LYS N N 122.093 0.2 1 200 68 45 ASN HA H 4.393 0.02 1 201 68 45 ASN HD21 H 7.643 0.02 1 202 68 45 ASN HD22 H 6.967 0.02 1 203 68 45 ASN C C 175.132 0.2 1 204 68 45 ASN CA C 56.183 0.2 1 205 68 45 ASN CB C 37.709 0.2 1 206 68 45 ASN ND2 N 112.914 0.2 1 207 69 46 GLY H H 8.64 0.02 1 208 69 46 GLY HA2 H 3.649 0.02 1 209 69 46 GLY HA3 H 4.139 0.02 1 210 69 46 GLY C C 173.826 0.2 1 211 69 46 GLY CA C 45.23 0.2 1 212 69 46 GLY N N 104.603 0.2 1 213 70 47 LYS H H 7.715 0.02 1 214 70 47 LYS HA H 4.884 0.02 1 215 70 47 LYS CA C 53.017 0.2 1 216 70 47 LYS N N 121.532 0.2 1 217 71 48 PRO C C 176.66 0.2 1 218 71 48 PRO CA C 63.654 0.2 1 219 72 49 THR H H 8.108 0.02 1 220 72 49 THR HA H 4.536 0.02 1 221 72 49 THR C C 173.558 0.2 1 222 72 49 THR CA C 60.213 0.2 1 223 72 49 THR CB C 70.898 0.2 1 224 72 49 THR N N 115.765 0.2 1 225 73 50 SER H H 8.269 0.02 1 226 73 50 SER CA C 58.352 0.2 1 227 73 50 SER N N 117.448 0.2 1 228 74 51 PRO HA H 4.902 0.02 1 229 74 51 PRO C C 174.666 0.2 1 230 74 51 PRO CA C 63.25 0.2 1 231 74 51 PRO CB C 32.681 0.2 1 232 75 52 VAL H H 8.483 0.02 1 233 75 52 VAL HA H 4.603 0.02 1 234 75 52 VAL C C 174.482 0.2 1 235 75 52 VAL CA C 59.27 0.2 1 236 75 52 VAL N N 112.502 0.2 1 237 76 53 GLY H H 8.743 0.02 1 238 76 53 GLY C C 170.839 0.2 1 239 76 53 GLY CA C 43.784 0.2 1 240 76 53 GLY N N 107.039 0.2 1 241 77 54 PHE H H 8.982 0.02 1 242 77 54 PHE HA H 5.566 0.02 1 243 77 54 PHE C C 176.14 0.2 1 244 77 54 PHE CA C 56.594 0.2 1 245 77 54 PHE CB C 41.643 0.2 1 246 77 54 PHE N N 118.566 0.2 1 247 78 55 VAL H H 9.233 0.02 1 248 78 55 VAL HA H 4.66 0.02 1 249 78 55 VAL C C 174.087 0.2 1 250 78 55 VAL CA C 61.21 0.2 1 251 78 55 VAL N N 126.156 0.2 1 252 79 56 THR H H 8.904 0.02 1 253 79 56 THR HA H 4.726 0.02 1 254 79 56 THR C C 172.267 0.2 1 255 79 56 THR CA C 62.944 0.2 1 256 79 56 THR CB C 70.355 0.2 1 257 79 56 THR CG2 C 22.828 0.2 1 258 79 56 THR N N 125.106 0.2 1 259 80 57 PHE H H 8.678 0.02 1 260 80 57 PHE HA H 5.162 0.02 1 261 80 57 PHE C C 176.353 0.2 1 262 80 57 PHE CA C 56.257 0.2 1 263 80 57 PHE CB C 44.533 0.2 1 264 80 57 PHE N N 123.55 0.2 1 265 81 58 LEU H H 9.439 0.02 1 266 81 58 LEU HA H 4.071 0.02 1 267 81 58 LEU C C 177.116 0.2 1 268 81 58 LEU CA C 57.554 0.2 1 269 81 58 LEU CB C 42.397 0.2 1 270 81 58 LEU N N 119.095 0.2 1 271 82 59 SER H H 7.603 0.02 1 272 82 59 SER CA C 56.435 0.2 1 273 82 59 SER N N 107.432 0.2 1 274 83 60 GLN H H 9.224 0.02 1 275 83 60 GLN HA H 4.079 0.02 1 276 83 60 GLN HE21 H 7.769 0.02 1 277 83 60 GLN HE22 H 6.922 0.02 1 278 83 60 GLN CA C 59.675 0.2 1 279 83 60 GLN N N 123.388 0.2 1 280 83 60 GLN NE2 N 111.65 0.2 1 281 84 61 GLN H H 8.68 0.02 1 282 84 61 GLN HA H 3.888 0.02 1 283 84 61 GLN HE21 H 7.766 0.02 1 284 84 61 GLN HE22 H 6.833 0.02 1 285 84 61 GLN C C 177.74 0.2 1 286 84 61 GLN CA C 58.872 0.2 1 287 84 61 GLN N N 119.56 0.2 1 288 84 61 GLN NE2 N 115.194 0.2 1 289 85 62 ASP H H 7.54 0.02 1 290 85 62 ASP HA H 4.228 0.02 1 291 85 62 ASP C C 178.715 0.2 1 292 85 62 ASP CA C 57.437 0.2 1 293 85 62 ASP CB C 41.266 0.2 1 294 85 62 ASP N N 119.053 0.2 1 295 86 63 ALA H H 7.404 0.02 1 296 86 63 ALA HA H 2.579 0.02 1 297 86 63 ALA C C 178.766 0.2 1 298 86 63 ALA CA C 54.728 0.2 1 299 86 63 ALA N N 123.726 0.2 1 300 87 64 GLN H H 8.461 0.02 1 301 87 64 GLN HE21 H 7.341 0.02 1 302 87 64 GLN HE22 H 6.806 0.02 1 303 87 64 GLN C C 179.457 0.2 1 304 87 64 GLN CA C 58.982 0.2 1 305 87 64 GLN CG C 33.915 0.2 1 306 87 64 GLN N N 116.672 0.2 1 307 87 64 GLN NE2 N 110.982 0.2 1 308 88 65 ASP H H 8.488 0.02 1 309 88 65 ASP HA H 4.432 0.02 1 310 88 65 ASP C C 178.784 0.2 1 311 88 65 ASP CA C 57.415 0.2 1 312 88 65 ASP CB C 39.947 0.2 1 313 88 65 ASP N N 121.824 0.2 1 314 89 66 ALA H H 7.719 0.02 1 315 89 66 ALA HA H 4.072 0.02 1 316 89 66 ALA CA C 55.38 0.2 1 317 89 66 ALA CB C 19.113 0.2 1 318 89 66 ALA N N 123.891 0.2 1 319 90 67 ARG H H 7.897 0.02 1 320 90 67 ARG C C 176.926 0.2 1 321 90 67 ARG N N 117.506 0.2 1 322 91 68 LYS H H 7.641 0.02 1 323 91 68 LYS HA H 4.009 0.02 1 324 91 68 LYS C C 178.925 0.2 1 325 91 68 LYS CA C 59.023 0.2 1 326 91 68 LYS N N 116.633 0.2 1 327 92 69 MET H H 7.74 0.02 1 328 92 69 MET HA H 4.157 0.02 1 329 92 69 MET C C 177.995 0.2 1 330 92 69 MET CA C 57.973 0.2 1 331 92 69 MET CG C 31.528 0.2 1 332 92 69 MET N N 116.492 0.2 1 333 93 70 LEU H H 7.672 0.02 1 334 93 70 LEU HA H 4.429 0.02 1 335 93 70 LEU C C 175.417 0.2 1 336 93 70 LEU CA C 54.224 0.2 1 337 93 70 LEU N N 117.076 0.2 1 338 94 71 GLN H H 7.421 0.02 1 339 94 71 GLN HA H 4.118 0.02 1 340 94 71 GLN HE21 H 7.618 0.02 1 341 94 71 GLN HE22 H 7.136 0.02 1 342 94 71 GLN C C 178.451 0.2 1 343 94 71 GLN CA C 57.481 0.2 1 344 94 71 GLN N N 120.361 0.2 1 345 94 71 GLN NE2 N 110.584 0.2 1 346 95 72 GLY H H 8.423 0.02 1 347 95 72 GLY C C 173.867 0.2 1 348 95 72 GLY CA C 46.358 0.2 1 349 95 72 GLY N N 114.232 0.2 1 350 96 73 VAL H H 7.609 0.02 1 351 96 73 VAL HA H 4.04 0.02 1 352 96 73 VAL C C 176.827 0.2 1 353 96 73 VAL CA C 62.267 0.2 1 354 96 73 VAL N N 119.953 0.2 1 355 97 74 ARG H H 8.473 0.02 1 356 97 74 ARG HA H 4.442 0.02 1 357 97 74 ARG C C 176.684 0.2 1 358 97 74 ARG CA C 56.987 0.2 1 359 97 74 ARG N N 123.766 0.2 1 360 98 75 PHE H H 8.869 0.02 1 361 98 75 PHE HA H 4.165 0.02 1 362 98 75 PHE C C 171.659 0.2 1 363 98 75 PHE CA C 60.627 0.2 1 364 98 75 PHE CB C 40.763 0.2 1 365 98 75 PHE N N 127.579 0.2 1 366 99 76 ASP H H 7.71 0.02 1 367 99 76 ASP HA H 4.962 0.02 1 368 99 76 ASP CA C 48.613 0.2 1 369 99 76 ASP N N 109.677 0.2 1 370 100 77 PRO CA C 62.125 0.2 1 371 101 78 GLU H H 8.108 0.02 1 372 101 78 GLU HA H 4.215 0.02 1 373 101 78 GLU C C 175.337 0.2 1 374 101 78 GLU CA C 55.86 0.2 1 375 101 78 GLU N N 115.63 0.2 1 376 102 79 ALA H H 8.034 0.02 1 377 102 79 ALA HA H 4.72 0.02 1 378 102 79 ALA CA C 50.737 0.2 1 379 102 79 ALA CB C 22.041 0.2 1 380 102 79 ALA N N 124.144 0.2 1 381 103 80 ALA H H 8.312 0.02 1 382 103 80 ALA HA H 4.071 0.02 1 383 103 80 ALA C C 178.187 0.2 1 384 103 80 ALA CA C 53.022 0.2 1 385 103 80 ALA CB C 19.146 0.2 1 386 103 80 ALA N N 121.64 0.2 1 387 104 81 GLN H H 7.463 0.02 1 388 104 81 GLN HA H 4.212 0.02 1 389 104 81 GLN HE21 H 7.689 0.02 1 390 104 81 GLN HE22 H 6.771 0.02 1 391 104 81 GLN C C 176.372 0.2 1 392 104 81 GLN CA C 56.898 0.2 1 393 104 81 GLN N N 117.056 0.2 1 394 104 81 GLN NE2 N 113.15 0.2 1 395 105 82 VAL H H 8.255 0.02 1 396 105 82 VAL HA H 4.699 0.02 1 397 105 82 VAL C C 175.435 0.2 1 398 105 82 VAL CA C 59.877 0.2 1 399 105 82 VAL N N 120.233 0.2 1 400 106 83 LEU H H 8.46 0.02 1 401 106 83 LEU CA C 55.105 0.2 1 402 106 83 LEU N N 121.106 0.2 1 403 107 84 ARG H H 8.289 0.02 1 404 107 84 ARG HA H 4.809 0.02 1 405 107 84 ARG C C 174.682 0.2 1 406 107 84 ARG CA C 54.831 0.2 1 407 107 84 ARG CB C 31.716 0.2 1 408 107 84 ARG N N 122.536 0.2 1 409 108 85 LEU H H 9.441 0.02 1 410 108 85 LEU HA H 5.421 0.02 1 411 108 85 LEU C C 175.957 0.2 1 412 108 85 LEU CA C 53.687 0.2 1 413 108 85 LEU N N 126.617 0.2 1 414 109 86 GLU H H 8.674 0.02 1 415 109 86 GLU HA H 4.778 0.02 1 416 109 86 GLU C C 175.12 0.2 1 417 109 86 GLU CA C 53.825 0.2 1 418 109 86 GLU N N 120.606 0.2 1 419 110 87 LEU H H 9.203 0.02 1 420 110 87 LEU HA H 4.438 0.02 1 421 110 87 LEU C C 177.185 0.2 1 422 110 87 LEU CA C 56.235 0.2 1 423 110 87 LEU CB C 41.58 0.2 1 424 110 87 LEU N N 124.446 0.2 1 425 111 88 ALA H H 8.609 0.02 1 426 111 88 ALA HA H 4.177 0.02 1 427 111 88 ALA C C 175.922 0.2 1 428 111 88 ALA CA C 51.99 0.2 1 429 111 88 ALA CB C 19.6 0.2 1 430 111 88 ALA N N 126.88 0.2 1 431 112 89 LYS H H 8.358 0.02 1 432 112 89 LYS CA C 56.471 0.2 1 433 112 89 LYS N N 119 0.2 1 434 113 90 SER H H 8.07 0.02 1 435 113 90 SER C C 177.615 0.2 1 436 113 90 SER CA C 59.854 0.2 1 437 113 90 SER N N 114.224 0.2 1 438 114 91 ASN H H 8.682 0.02 1 439 114 91 ASN HD21 H 7.619 0.02 1 440 114 91 ASN HD22 H 6.964 0.02 1 441 114 91 ASN CA C 58.87 0.2 1 442 114 91 ASN CB C 38.69 0.2 1 443 114 91 ASN N N 119.854 0.2 1 444 114 91 ASN ND2 N 113.571 0.2 1 445 115 92 THR H H 7.976 0.02 1 446 115 92 THR HA H 4.189 0.02 1 447 115 92 THR C C 174.135 0.2 1 448 115 92 THR CA C 62.251 0.2 1 449 115 92 THR N N 115.558 0.2 1 450 116 93 LYS H H 8.33 0.02 1 451 116 93 LYS HA H 4.267 0.02 1 452 116 93 LYS C C 176.086 0.2 1 453 116 93 LYS CA C 56.284 0.2 1 454 116 93 LYS CB C 32.91 0.2 1 455 116 93 LYS N N 125.012 0.2 1 456 117 94 VAL H H 8.05 0.02 1 457 117 94 VAL HA H 4.018 0.02 1 458 117 94 VAL C C 175.421 0.2 1 459 117 94 VAL CA C 61.802 0.2 1 460 117 94 VAL CB C 32.998 0.2 1 461 117 94 VAL N N 121.833 0.2 1 462 118 95 ALA H H 8.306 0.02 1 463 118 95 ALA HA H 4.296 0.02 1 464 118 95 ALA C C 177.124 0.2 1 465 118 95 ALA CA C 52.208 0.2 1 466 118 95 ALA CB C 19.476 0.2 1 467 118 95 ALA N N 128.398 0.2 1 468 119 96 ARG H H 8.281 0.02 1 469 119 96 ARG HA H 4.591 0.02 1 470 119 96 ARG C C 174.18 0.2 1 471 119 96 ARG CA C 53.788 0.2 1 472 119 96 ARG N N 122.167 0.2 1 473 120 97 PRO HA H 4.369 0.02 1 474 120 97 PRO C C 176.723 0.2 1 475 120 97 PRO CA C 62.972 0.2 1 476 120 97 PRO CB C 32.407 0.2 1 477 121 98 LYS H H 8.442 0.02 1 478 121 98 LYS HA H 4.193 0.02 1 479 121 98 LYS CA C 56.673 0.2 1 480 121 98 LYS N N 122.095 0.2 1 481 122 99 GLN H H 8.447 0.02 1 482 122 99 GLN HA H 4.377 0.02 1 483 122 99 GLN HE21 H 7.589 0.02 1 484 122 99 GLN HE22 H 6.856 0.02 1 485 122 99 GLN C C 175.031 0.2 1 486 122 99 GLN CA C 55.91 0.2 1 487 122 99 GLN CB C 29.894 0.2 1 488 122 99 GLN N N 122.515 0.2 1 489 122 99 GLN NE2 N 112.838 0.2 1 490 123 100 SER H H 8.008 0.02 1 491 123 100 SER HA H 4.193 0.02 1 492 123 100 SER C C 178.632 0.2 1 493 123 100 SER CA C 60.084 0.2 1 494 123 100 SER N N 123.174 0.2 1 stop_ save_