data_50187 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RBM5 RRM1-Zf1 ; _BMRB_accession_number 50187 _BMRB_flat_file_name bmr50187.str _Entry_type original _Submission_date 2020-02-02 _Accession_date 2020-02-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'RBM5 RRM1-Zf1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Soni Komal . . 2 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 109 "13C chemical shifts" 321 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-13 update BMRB 'update entry citation' 2020-06-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50191 'RBM5 RRM1-Zf1, C191G mutant' stop_ _Original_release_date 2020-02-04 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Dynamics From Ambiguous Zinc Coordination in the RanBP2-Type Zinc Finger of RBM5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32450081 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Soni Komal . . 2 Martinez-Lumbreras Santiago . . 3 Sattler Michael . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 432 _Journal_issue 14 _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4127 _Page_last 4138 _Year 2020 _Details . loop_ _Keyword RBM5 stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'monomer RRM1-Zf1 wt' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RRM1-Zf1 $entity_1 Zn $entity_ZN 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'free disulfide and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count . _Mol_residue_sequence ; MGERESKTIMLRGLPTTITE SDIREMMESFEGPQPADVRL MKRKTGVSRGFAFVEFYHLQ DATSWMEANQKKLVIQGKHI AMHYSNPRPKFEDWLCNKCC LNNFRKRLKCFRCGADKFD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 92 MET 2 93 GLY 3 94 GLU 4 95 ARG 5 96 GLU 6 97 SER 7 98 LYS 8 99 THR 9 100 ILE 10 101 MET 11 102 LEU 12 103 ARG 13 104 GLY 14 105 LEU 15 106 PRO 16 107 THR 17 108 THR 18 109 ILE 19 110 THR 20 111 GLU 21 112 SER 22 113 ASP 23 114 ILE 24 115 ARG 25 116 GLU 26 117 MET 27 118 MET 28 119 GLU 29 120 SER 30 121 PHE 31 122 GLU 32 123 GLY 33 124 PRO 34 125 GLN 35 126 PRO 36 127 ALA 37 128 ASP 38 129 VAL 39 130 ARG 40 131 LEU 41 132 MET 42 133 LYS 43 134 ARG 44 135 LYS 45 136 THR 46 137 GLY 47 138 VAL 48 139 SER 49 140 ARG 50 141 GLY 51 142 PHE 52 143 ALA 53 144 PHE 54 145 VAL 55 146 GLU 56 147 PHE 57 148 TYR 58 149 HIS 59 150 LEU 60 151 GLN 61 152 ASP 62 153 ALA 63 154 THR 64 155 SER 65 156 TRP 66 157 MET 67 158 GLU 68 159 ALA 69 160 ASN 70 161 GLN 71 162 LYS 72 163 LYS 73 164 LEU 74 165 VAL 75 166 ILE 76 167 GLN 77 168 GLY 78 169 LYS 79 170 HIS 80 171 ILE 81 172 ALA 82 173 MET 83 174 HIS 84 175 TYR 85 176 SER 86 177 ASN 87 178 PRO 88 179 ARG 89 180 PRO 90 181 LYS 91 182 PHE 92 183 GLU 93 184 ASP 94 185 TRP 95 186 LEU 96 187 CYS 97 188 ASN 98 189 LYS 99 190 CYS 100 191 CYS 101 192 LEU 102 193 ASN 103 194 ASN 104 195 PHE 105 196 ARG 106 197 LYS 107 198 ARG 108 199 LEU 109 200 LYS 110 201 CYS 111 202 PHE 112 203 ARG 113 204 CYS 114 205 GLY 115 206 ALA 116 207 ASP 117 208 LYS 118 209 PHE 119 210 ASP 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 NCBI NP_005769.1 RBM5 . . . . . stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' plasmid pET28a 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 $entity_1 . mM '[U-13C; U-15]' MES 20 mM 'natural abundance' 'sodium chloride' 400 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2_600 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.4 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 water C 13 protons ppm 4.7 internal direct . . . 1 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name RRM1-Zf1 _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 93 2 GLY C C 170.110 0.000 . 2 93 2 GLY CA C 43.470 0.000 . 3 94 3 GLU H H 8.743 0.002 . 4 94 3 GLU C C 176.014 0.000 . 5 94 3 GLU CA C 56.479 0.000 . 6 94 3 GLU CB C 31.133 0.000 . 7 94 3 GLU N N 120.789 0.022 . 8 95 4 ARG H H 8.511 0.001 . 9 95 4 ARG C C 174.970 0.000 . 10 95 4 ARG CA C 55.867 0.000 . 11 95 4 ARG CB C 30.572 0.000 . 12 95 4 ARG N N 123.134 0.029 . 13 96 5 GLU H H 8.252 0.002 . 14 96 5 GLU C C 175.173 0.000 . 15 96 5 GLU CA C 56.780 0.000 . 16 96 5 GLU CB C 29.681 0.000 . 17 96 5 GLU N N 121.673 0.021 . 18 97 6 SER H H 6.510 0.004 . 19 97 6 SER C C 171.712 0.000 . 20 97 6 SER CA C 55.730 0.000 . 21 97 6 SER CB C 65.880 0.000 . 22 97 6 SER N N 116.237 0.030 . 23 98 7 LYS H H 8.029 0.000 . 24 98 7 LYS C C 174.813 0.000 . 25 98 7 LYS CA C 57.872 0.000 . 26 98 7 LYS CB C 32.658 0.000 . 27 98 7 LYS N N 116.405 0.013 . 28 99 8 THR H H 8.497 0.003 . 29 99 8 THR C C 174.616 0.000 . 30 99 8 THR CA C 62.512 0.000 . 31 99 8 THR CB C 69.916 0.000 . 32 99 8 THR N N 115.801 0.012 . 33 100 9 ILE H H 9.392 0.004 . 34 100 9 ILE C C 174.196 0.000 . 35 100 9 ILE CA C 59.539 0.000 . 36 100 9 ILE CB C 41.814 0.000 . 37 100 9 ILE N N 125.764 0.013 . 38 101 10 MET H H 9.388 0.003 . 39 101 10 MET C C 174.723 0.000 . 40 101 10 MET CA C 53.857 0.000 . 41 101 10 MET CB C 36.185 0.000 . 42 101 10 MET N N 126.252 0.026 . 43 102 11 LEU H H 9.051 0.002 . 44 102 11 LEU C C 175.952 0.000 . 45 102 11 LEU CA C 53.246 0.000 . 46 102 11 LEU CB C 43.345 0.000 . 47 102 11 LEU N N 125.713 0.007 . 48 103 12 ARG H H 8.761 0.001 . 49 103 12 ARG C C 175.311 0.000 . 50 103 12 ARG CA C 55.027 0.000 . 51 103 12 ARG CB C 34.245 0.000 . 52 103 12 ARG N N 120.022 0.019 . 53 104 13 GLY H H 8.290 0.003 . 54 104 13 GLY C C 175.540 0.000 . 55 104 13 GLY CA C 45.752 0.000 . 56 104 13 GLY N N 109.310 0.036 . 57 105 14 LEU H H 8.153 0.000 . 58 105 14 LEU N N 119.308 0.019 . 59 106 15 PRO C C 178.727 0.000 . 60 106 15 PRO CA C 62.533 0.000 . 61 106 15 PRO CB C 32.233 0.000 . 62 107 16 THR H H 8.960 0.002 . 63 107 16 THR C C 174.355 0.000 . 64 107 16 THR CA C 64.901 0.000 . 65 107 16 THR CB C 68.658 0.000 . 66 107 16 THR N N 116.171 0.012 . 67 108 17 THR H H 7.167 0.000 . 68 108 17 THR C C 175.020 0.000 . 69 108 17 THR CA C 61.571 0.000 . 70 108 17 THR CB C 68.827 0.000 . 71 108 17 THR N N 106.869 0.019 . 72 109 18 ILE H H 7.014 0.000 . 73 109 18 ILE C C 175.871 0.000 . 74 109 18 ILE CA C 59.583 0.000 . 75 109 18 ILE CB C 37.469 0.000 . 76 109 18 ILE N N 121.351 0.013 . 77 110 19 THR H H 9.135 0.003 . 78 110 19 THR C C 175.446 0.000 . 79 110 19 THR CA C 60.134 0.000 . 80 110 19 THR CB C 72.307 0.000 . 81 110 19 THR N N 118.782 0.004 . 82 111 20 GLU H H 9.331 0.001 . 83 111 20 GLU C C 178.512 0.000 . 84 111 20 GLU CA C 60.785 0.000 . 85 111 20 GLU CB C 30.087 0.000 . 86 111 20 GLU N N 121.168 0.011 . 87 112 21 SER H H 8.352 0.001 . 88 112 21 SER C C 176.626 0.000 . 89 112 21 SER CA C 61.878 0.000 . 90 112 21 SER CB C 62.299 0.000 . 91 112 21 SER N N 113.794 0.022 . 92 113 22 ASP H H 7.700 0.001 . 93 113 22 ASP C C 179.221 0.000 . 94 113 22 ASP CA C 57.616 0.000 . 95 113 22 ASP CB C 41.186 0.000 . 96 113 22 ASP N N 122.023 0.013 . 97 114 23 ILE H H 7.740 0.001 . 98 114 23 ILE C C 177.391 0.000 . 99 114 23 ILE CA C 64.428 0.000 . 100 114 23 ILE CB C 37.420 0.000 . 101 114 23 ILE N N 119.419 0.019 . 102 115 24 ARG H H 8.246 0.001 . 103 115 24 ARG C C 178.926 0.000 . 104 115 24 ARG CA C 60.621 0.000 . 105 115 24 ARG CB C 29.762 0.000 . 106 115 24 ARG N N 120.157 0.023 . 107 116 25 GLU H H 8.233 0.001 . 108 116 25 GLU C C 179.580 0.000 . 109 116 25 GLU CA C 59.476 0.000 . 110 116 25 GLU CB C 29.412 0.000 . 111 116 25 GLU N N 118.756 0.024 . 112 117 26 MET H H 7.923 0.001 . 113 117 26 MET C C 178.757 0.000 . 114 117 26 MET CA C 58.606 0.000 . 115 117 26 MET CB C 32.306 0.000 . 116 117 26 MET N N 119.380 0.022 . 117 118 27 MET H H 8.063 0.001 . 118 118 27 MET C C 178.598 0.000 . 119 118 27 MET CA C 57.549 0.000 . 120 118 27 MET CB C 31.707 0.000 . 121 118 27 MET N N 117.251 0.024 . 122 119 28 GLU H H 7.840 0.001 . 123 119 28 GLU C C 177.654 0.000 . 124 119 28 GLU CA C 58.544 0.000 . 125 119 28 GLU CB C 29.572 0.000 . 126 119 28 GLU N N 118.914 0.010 . 127 120 29 SER H H 7.719 0.001 . 128 120 29 SER C C 174.517 0.000 . 129 120 29 SER CA C 59.463 0.000 . 130 120 29 SER CB C 63.890 0.000 . 131 120 29 SER N N 112.979 0.025 . 132 121 30 PHE H H 7.574 0.001 . 133 121 30 PHE C C 175.979 0.000 . 134 121 30 PHE CA C 56.347 0.000 . 135 121 30 PHE CB C 38.879 0.000 . 136 121 30 PHE N N 122.345 0.019 . 137 122 31 GLU H H 8.524 0.003 . 138 122 31 GLU C C 176.095 0.000 . 139 122 31 GLU CA C 56.409 0.000 . 140 122 31 GLU CB C 30.062 0.000 . 141 122 31 GLU N N 121.638 0.014 . 142 123 32 GLY H H 8.102 0.001 . 143 123 32 GLY N N 108.779 0.024 . 144 124 33 PRO C C 175.949 0.000 . 145 124 33 PRO CA C 63.016 0.000 . 146 124 33 PRO CB C 32.706 0.000 . 147 125 34 GLN H H 8.488 0.001 . 148 125 34 GLN N N 120.248 0.018 . 149 126 35 PRO C C 175.377 0.000 . 150 126 35 PRO CA C 62.201 0.000 . 151 126 35 PRO CB C 31.681 0.000 . 152 127 36 ALA H H 8.585 0.001 . 153 127 36 ALA C C 177.896 0.000 . 154 127 36 ALA CA C 53.863 0.000 . 155 127 36 ALA CB C 18.032 0.000 . 156 127 36 ALA N N 123.691 0.020 . 157 128 37 ASP H H 7.477 0.002 . 158 128 37 ASP C C 173.700 0.000 . 159 128 37 ASP CA C 53.639 0.000 . 160 128 37 ASP CB C 44.315 0.000 . 161 128 37 ASP N N 113.206 0.018 . 162 129 38 VAL H H 7.891 0.002 . 163 129 38 VAL C C 173.611 0.000 . 164 129 38 VAL CA C 61.405 0.000 . 165 129 38 VAL CB C 35.001 0.000 . 166 129 38 VAL N N 121.852 0.016 . 167 130 39 ARG H H 8.964 0.000 . 168 130 39 ARG C C 174.827 0.000 . 169 130 39 ARG CA C 54.051 0.000 . 170 130 39 ARG CB C 33.410 0.000 . 171 130 39 ARG N N 125.180 0.015 . 172 131 40 LEU H H 9.497 0.002 . 173 131 40 LEU C C 175.993 0.000 . 174 131 40 LEU CA C 54.285 0.000 . 175 131 40 LEU CB C 44.577 0.000 . 176 131 40 LEU N N 127.555 0.011 . 177 132 41 MET H H 8.198 0.002 . 178 132 41 MET C C 175.038 0.000 . 179 132 41 MET CA C 54.263 0.000 . 180 132 41 MET CB C 31.984 0.000 . 181 132 41 MET N N 125.240 0.015 . 182 133 42 LYS H H 8.509 0.001 . 183 133 42 LYS C C 177.164 0.000 . 184 133 42 LYS CA C 55.163 0.000 . 185 133 42 LYS CB C 36.154 0.000 . 186 133 42 LYS N N 121.691 0.034 . 187 134 43 ARG H H 8.825 0.002 . 188 134 43 ARG N N 120.467 0.011 . 189 135 44 LYS C C 176.911 0.000 . 190 135 44 LYS CA C 58.756 0.000 . 191 135 44 LYS CB C 32.479 0.000 . 192 136 45 THR H H 7.276 0.002 . 193 136 45 THR C C 175.383 0.000 . 194 136 45 THR CA C 61.555 0.000 . 195 136 45 THR CB C 70.302 0.000 . 196 136 45 THR N N 106.760 0.016 . 197 137 46 GLY H H 8.252 0.000 . 198 137 46 GLY C C 173.593 0.000 . 199 137 46 GLY CA C 44.923 0.000 . 200 137 46 GLY N N 109.546 0.025 . 201 138 47 VAL H H 7.243 0.000 . 202 138 47 VAL C C 175.807 0.000 . 203 138 47 VAL CA C 62.291 0.000 . 204 138 47 VAL CB C 32.882 0.000 . 205 138 47 VAL N N 118.934 0.014 . 206 139 48 SER H H 8.711 0.001 . 207 139 48 SER C C 175.371 0.000 . 208 139 48 SER CA C 58.370 0.000 . 209 139 48 SER CB C 64.248 0.000 . 210 139 48 SER N N 119.569 0.017 . 211 140 49 ARG H H 8.749 0.002 . 212 140 49 ARG C C 176.982 0.000 . 213 140 49 ARG CA C 56.439 0.000 . 214 140 49 ARG CB C 31.716 0.000 . 215 140 49 ARG N N 122.241 0.011 . 216 141 50 GLY H H 8.980 0.002 . 217 141 50 GLY C C 172.204 0.000 . 218 141 50 GLY CA C 45.538 0.000 . 219 141 50 GLY N N 106.880 0.026 . 220 142 51 PHE H H 7.299 0.003 . 221 142 51 PHE C C 172.695 0.000 . 222 142 51 PHE CA C 54.833 0.000 . 223 142 51 PHE CB C 41.994 0.000 . 224 142 51 PHE N N 114.294 0.022 . 225 143 52 ALA H H 8.633 0.002 . 226 143 52 ALA C C 174.576 0.000 . 227 143 52 ALA CA C 49.785 0.000 . 228 143 52 ALA CB C 24.076 0.000 . 229 143 52 ALA N N 120.387 0.017 . 230 144 53 PHE H H 9.078 0.001 . 231 144 53 PHE C C 174.561 0.000 . 232 144 53 PHE CA C 57.187 0.000 . 233 144 53 PHE CB C 42.393 0.000 . 234 144 53 PHE N N 118.265 0.006 . 235 145 54 VAL H H 9.562 0.002 . 236 145 54 VAL C C 173.343 0.000 . 237 145 54 VAL CA C 61.179 0.000 . 238 145 54 VAL CB C 33.117 0.000 . 239 145 54 VAL N N 124.288 0.002 . 240 146 55 GLU H H 8.345 0.001 . 241 146 55 GLU C C 175.568 0.000 . 242 146 55 GLU CA C 54.184 0.000 . 243 146 55 GLU CB C 32.807 0.000 . 244 146 55 GLU N N 126.005 0.011 . 245 147 56 PHE H H 9.051 0.001 . 246 147 56 PHE C C 175.765 0.000 . 247 147 56 PHE CA C 58.271 0.000 . 248 147 56 PHE CB C 41.577 0.000 . 249 147 56 PHE N N 122.985 0.022 . 250 148 57 TYR H H 9.791 0.003 . 251 148 57 TYR C C 176.321 0.000 . 252 148 57 TYR CA C 61.706 0.000 . 253 148 57 TYR CB C 38.791 0.000 . 254 148 57 TYR N N 118.757 0.011 . 255 149 58 HIS H H 7.455 0.002 . 256 149 58 HIS N N 110.878 0.016 . 257 150 59 LEU C C 177.824 0.000 . 258 150 59 LEU CA C 59.209 0.000 . 259 150 59 LEU CB C 42.055 0.000 . 260 151 60 GLN H H 9.255 0.001 . 261 151 60 GLN C C 177.982 0.000 . 262 151 60 GLN CA C 58.322 0.000 . 263 151 60 GLN CB C 27.809 0.000 . 264 151 60 GLN N N 115.723 0.016 . 265 152 61 ASP H H 7.240 0.001 . 266 152 61 ASP C C 176.418 0.000 . 267 152 61 ASP CA C 56.622 0.000 . 268 152 61 ASP CB C 41.105 0.000 . 269 152 61 ASP N N 119.428 0.004 . 270 153 62 ALA H H 6.958 0.001 . 271 153 62 ALA C C 179.532 0.000 . 272 153 62 ALA CA C 54.801 0.000 . 273 153 62 ALA CB C 20.420 0.000 . 274 153 62 ALA N N 122.258 0.017 . 275 154 63 THR H H 8.598 0.001 . 276 154 63 THR C C 178.681 0.000 . 277 154 63 THR CA C 64.758 0.000 . 278 154 63 THR CB C 68.479 0.000 . 279 154 63 THR N N 109.542 0.024 . 280 155 64 SER H H 7.921 0.001 . 281 155 64 SER C C 177.007 0.000 . 282 155 64 SER CA C 62.068 0.000 . 283 155 64 SER CB C 62.996 0.000 . 284 155 64 SER N N 118.985 0.023 . 285 156 65 TRP H H 8.223 0.004 . 286 156 65 TRP C C 179.109 0.000 . 287 156 65 TRP CA C 62.803 0.000 . 288 156 65 TRP CB C 29.971 0.000 . 289 156 65 TRP N N 125.146 0.018 . 290 157 66 MET H H 8.828 0.001 . 291 157 66 MET C C 178.421 0.000 . 292 157 66 MET CA C 58.713 0.000 . 293 157 66 MET CB C 33.633 0.000 . 294 157 66 MET N N 119.787 0.009 . 295 158 67 GLU H H 8.232 0.001 . 296 158 67 GLU C C 179.158 0.000 . 297 158 67 GLU CA C 59.047 0.000 . 298 158 67 GLU CB C 29.324 0.000 . 299 158 67 GLU N N 117.726 0.011 . 300 159 68 ALA H H 7.663 0.001 . 301 159 68 ALA C C 179.538 0.000 . 302 159 68 ALA CA C 54.292 0.000 . 303 159 68 ALA CB C 19.142 0.000 . 304 159 68 ALA N N 118.513 0.025 . 305 160 69 ASN H H 7.488 0.002 . 306 160 69 ASN C C 175.421 0.000 . 307 160 69 ASN CA C 54.277 0.000 . 308 160 69 ASN CB C 40.435 0.000 . 309 160 69 ASN N N 111.747 0.023 . 310 161 70 GLN H H 8.191 0.001 . 311 161 70 GLN C C 176.966 0.000 . 312 161 70 GLN CA C 58.930 0.000 . 313 161 70 GLN CB C 27.683 0.000 . 314 161 70 GLN N N 120.581 0.005 . 315 162 71 LYS H H 8.646 0.004 . 316 162 71 LYS C C 176.608 0.000 . 317 162 71 LYS CA C 57.440 0.000 . 318 162 71 LYS CB C 31.386 0.000 . 319 162 71 LYS N N 115.339 0.021 . 320 163 72 LYS H H 7.686 0.002 . 321 163 72 LYS C C 175.729 0.000 . 322 163 72 LYS CA C 56.379 0.000 . 323 163 72 LYS CB C 34.856 0.000 . 324 163 72 LYS N N 117.977 0.023 . 325 164 73 LEU H H 8.026 0.001 . 326 164 73 LEU C C 174.792 0.000 . 327 164 73 LEU CA C 55.510 0.000 . 328 164 73 LEU CB C 42.845 0.000 . 329 164 73 LEU N N 121.908 0.020 . 330 165 74 VAL H H 8.194 0.002 . 331 165 74 VAL C C 175.398 0.000 . 332 165 74 VAL CA C 60.581 0.000 . 333 165 74 VAL CB C 33.907 0.000 . 334 165 74 VAL N N 127.979 0.030 . 335 166 75 ILE H H 8.544 0.001 . 336 166 75 ILE C C 175.156 0.000 . 337 166 75 ILE CA C 60.200 0.000 . 338 166 75 ILE CB C 41.080 0.000 . 339 166 75 ILE N N 124.883 0.019 . 340 167 76 GLN H H 9.524 0.001 . 341 167 76 GLN C C 176.100 0.000 . 342 167 76 GLN CA C 56.624 0.000 . 343 167 76 GLN CB C 26.642 0.000 . 344 167 76 GLN N N 127.047 0.014 . 345 168 77 GLY H H 8.321 0.001 . 346 168 77 GLY C C 173.655 0.000 . 347 168 77 GLY CA C 45.411 0.000 . 348 168 77 GLY N N 102.804 0.022 . 349 169 78 LYS H H 7.947 0.001 . 350 169 78 LYS C C 175.492 0.000 . 351 169 78 LYS CA C 54.247 0.000 . 352 169 78 LYS CB C 33.402 0.000 . 353 169 78 LYS N N 121.503 0.013 . 354 170 79 HIS H H 8.978 0.001 . 355 170 79 HIS C C 174.690 0.000 . 356 170 79 HIS CA C 56.888 0.000 . 357 170 79 HIS CB C 28.762 0.000 . 358 170 79 HIS N N 122.791 0.008 . 359 171 80 ILE H H 8.270 0.001 . 360 171 80 ILE C C 174.833 0.000 . 361 171 80 ILE CA C 58.141 0.000 . 362 171 80 ILE CB C 37.136 0.000 . 363 171 80 ILE N N 126.979 0.006 . 364 172 81 ALA H H 8.262 0.001 . 365 172 81 ALA C C 176.173 0.000 . 366 172 81 ALA CA C 51.691 0.000 . 367 172 81 ALA CB C 20.661 0.000 . 368 172 81 ALA N N 130.351 0.010 . 369 173 82 MET H H 8.212 0.002 . 370 173 82 MET C C 174.656 0.000 . 371 173 82 MET CA C 54.359 0.000 . 372 173 82 MET CB C 36.790 0.000 . 373 173 82 MET N N 117.917 0.015 . 374 174 83 HIS H H 8.424 0.002 . 375 174 83 HIS C C 174.381 0.000 . 376 174 83 HIS CA C 54.305 0.000 . 377 174 83 HIS CB C 32.974 0.000 . 378 174 83 HIS N N 116.859 0.024 . 379 175 84 TYR H H 8.902 0.001 . 380 175 84 TYR C C 176.249 0.000 . 381 175 84 TYR CA C 60.039 0.000 . 382 175 84 TYR CB C 39.671 0.000 . 383 175 84 TYR N N 122.735 0.016 . 384 176 85 SER H H 8.709 0.001 . 385 176 85 SER C C 172.994 0.000 . 386 176 85 SER CA C 56.582 0.000 . 387 176 85 SER CB C 65.921 0.000 . 388 176 85 SER N N 114.295 0.024 . 389 177 86 ASN H H 9.388 0.004 . 390 177 86 ASN N N 125.775 0.044 . 391 178 87 PRO C C 177.500 0.000 . 392 178 87 PRO CA C 63.836 0.000 . 393 178 87 PRO CB C 32.706 0.000 . 394 179 88 ARG H H 9.084 0.002 . 395 179 88 ARG N N 125.004 0.017 . 396 180 89 PRO C C 177.590 0.000 . 397 180 89 PRO CA C 62.496 0.000 . 398 180 89 PRO CB C 31.777 0.000 . 399 181 90 LYS H H 8.513 0.001 . 400 181 90 LYS C C 176.944 0.000 . 401 181 90 LYS CA C 57.986 0.000 . 402 181 90 LYS CB C 32.618 0.000 . 403 181 90 LYS N N 122.921 0.019 . 404 182 91 PHE H H 8.613 0.002 . 405 182 91 PHE C C 174.607 0.000 . 406 182 91 PHE CA C 57.528 0.000 . 407 182 91 PHE CB C 37.863 0.000 . 408 182 91 PHE N N 117.482 0.019 . 409 183 92 GLU H H 7.121 0.004 . 410 183 92 GLU C C 175.992 0.000 . 411 183 92 GLU CA C 55.004 0.000 . 412 183 92 GLU CB C 33.570 0.000 . 413 183 92 GLU N N 116.555 0.020 . 414 184 93 ASP H H 8.523 0.001 . 415 184 93 ASP C C 174.542 0.000 . 416 184 93 ASP CA C 55.710 0.000 . 417 184 93 ASP CB C 41.124 0.000 . 418 184 93 ASP N N 123.390 0.014 . 419 185 94 TRP H H 8.285 0.001 . 420 185 94 TRP C C 174.078 0.000 . 421 185 94 TRP CA C 53.307 0.000 . 422 185 94 TRP CB C 31.104 0.000 . 423 185 94 TRP N N 115.871 0.012 . 424 185 94 TRP NE1 N 129.076 0.000 . 425 186 95 LEU H H 9.561 0.004 . 426 186 95 LEU C C 178.315 0.000 . 427 186 95 LEU CA C 53.401 0.000 . 428 186 95 LEU CB C 43.151 0.000 . 429 186 95 LEU N N 122.135 0.014 . 430 187 96 CYS H H 8.845 0.002 . 431 187 96 CYS C C 177.397 0.000 . 432 187 96 CYS CA C 60.505 0.000 . 433 187 96 CYS CB C 31.612 0.000 . 434 187 96 CYS N N 130.391 0.020 . 435 188 97 ASN H H 9.149 0.001 . 436 188 97 ASN C C 175.720 0.000 . 437 188 97 ASN CA C 55.282 0.000 . 438 188 97 ASN CB C 38.520 0.000 . 439 188 97 ASN N N 126.947 0.012 . 440 189 98 LYS H H 9.627 0.002 . 441 189 98 LYS C C 177.993 0.000 . 442 189 98 LYS CA C 57.114 0.000 . 443 189 98 LYS CB C 32.807 0.000 . 444 189 98 LYS N N 122.719 0.030 . 445 190 99 CYS H H 9.104 0.002 . 446 190 99 CYS C C 176.853 0.000 . 447 190 99 CYS CA C 58.863 0.000 . 448 190 99 CYS CB C 32.240 0.000 . 449 190 99 CYS N N 120.272 0.013 . 450 191 100 CYS H H 7.666 0.002 . 451 191 100 CYS C C 173.072 0.000 . 452 191 100 CYS CA C 58.982 0.000 . 453 191 100 CYS CB C 38.056 0.000 . 454 191 100 CYS N N 116.432 0.017 . 455 192 101 LEU H H 8.197 0.001 . 456 192 101 LEU C C 177.069 0.000 . 457 192 101 LEU CA C 56.300 0.000 . 458 192 101 LEU CB C 43.090 0.000 . 459 192 101 LEU N N 122.424 0.020 . 460 193 102 ASN H H 8.618 0.001 . 461 193 102 ASN C C 173.742 0.000 . 462 193 102 ASN CA C 54.419 0.000 . 463 193 102 ASN CB C 39.214 0.000 . 464 193 102 ASN N N 124.914 0.016 . 465 194 103 ASN H H 9.077 0.001 . 466 194 103 ASN C C 172.625 0.000 . 467 194 103 ASN CA C 52.380 0.000 . 468 194 103 ASN CB C 43.006 0.000 . 469 194 103 ASN N N 126.371 0.007 . 470 195 104 PHE H H 7.870 0.001 . 471 195 104 PHE C C 177.272 0.000 . 472 195 104 PHE CA C 56.968 0.000 . 473 195 104 PHE CB C 40.002 0.000 . 474 195 104 PHE N N 119.226 0.015 . 475 196 105 ARG H H 8.108 0.001 . 476 196 105 ARG N N 123.168 0.017 . 477 197 106 LYS C C 177.166 0.000 . 478 197 106 LYS CA C 57.211 0.000 . 479 197 106 LYS CB C 32.818 0.000 . 480 198 107 ARG H H 8.549 0.002 . 481 198 107 ARG C C 177.407 0.000 . 482 198 107 ARG CA C 57.808 0.000 . 483 198 107 ARG CB C 31.247 0.000 . 484 198 107 ARG N N 118.961 0.012 . 485 199 108 LEU H H 9.127 0.001 . 486 199 108 LEU C C 175.930 0.000 . 487 199 108 LEU CA C 55.379 0.000 . 488 199 108 LEU CB C 43.497 0.000 . 489 199 108 LEU N N 123.368 0.015 . 490 200 109 LYS H H 7.755 0.001 . 491 200 109 LYS C C 176.172 0.000 . 492 200 109 LYS CA C 52.976 0.000 . 493 200 109 LYS CB C 35.908 0.000 . 494 200 109 LYS N N 117.170 0.012 . 495 201 110 CYS H H 9.888 0.001 . 496 201 110 CYS C C 178.521 0.000 . 497 201 110 CYS CA C 59.129 0.000 . 498 201 110 CYS CB C 31.187 0.000 . 499 201 110 CYS N N 126.386 0.007 . 500 202 111 PHE H H 9.328 0.001 . 501 202 111 PHE C C 174.650 0.000 . 502 202 111 PHE CA C 60.437 0.000 . 503 202 111 PHE CB C 40.499 0.000 . 504 202 111 PHE N N 131.871 0.009 . 505 203 112 ARG H H 8.950 0.001 . 506 203 112 ARG C C 176.785 0.000 . 507 203 112 ARG CA C 58.119 0.000 . 508 203 112 ARG CB C 32.932 0.000 . 509 203 112 ARG N N 120.985 0.025 . 510 204 113 CYS H H 8.517 0.001 . 511 204 113 CYS C C 177.264 0.000 . 512 204 113 CYS CA C 58.979 0.000 . 513 204 113 CYS CB C 32.683 0.000 . 514 204 113 CYS N N 118.589 0.021 . 515 205 114 GLY H H 7.699 0.002 . 516 205 114 GLY C C 173.249 0.000 . 517 205 114 GLY CA C 46.235 0.000 . 518 205 114 GLY N N 112.277 0.022 . 519 206 115 ALA H H 8.990 0.001 . 520 206 115 ALA C C 177.209 0.000 . 521 206 115 ALA CA C 53.346 0.000 . 522 206 115 ALA CB C 20.644 0.000 . 523 206 115 ALA N N 125.891 0.005 . 524 207 116 ASP H H 8.755 0.001 . 525 207 116 ASP C C 176.506 0.000 . 526 207 116 ASP CA C 55.216 0.000 . 527 207 116 ASP CB C 44.060 0.000 . 528 207 116 ASP N N 121.600 0.011 . 529 208 117 LYS H H 7.581 0.001 . 530 208 117 LYS C C 175.741 0.000 . 531 208 117 LYS CA C 58.712 0.000 . 532 208 117 LYS CB C 32.970 0.000 . 533 208 117 LYS N N 124.804 0.005 . 534 209 118 PHE H H 8.598 0.001 . 535 209 118 PHE C C 175.086 0.000 . 536 209 118 PHE CA C 56.723 0.000 . 537 209 118 PHE CB C 38.255 0.000 . 538 209 118 PHE N N 115.931 0.030 . 539 210 119 ASP H H 7.378 0.001 . 540 210 119 ASP N N 125.427 0.009 . stop_ save_