data_27945 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Free Cellular Retinoic Acid Binding Protein 2 ; _BMRB_accession_number 27945 _BMRB_flat_file_name bmr27945.str _Entry_type original _Submission_date 2019-06-17 _Accession_date 2019-06-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Free Cellular Retinoic Acid Binding Protein 2 (Homo sapiens)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lixa Carolina L.V. . 2 Iqbal Anwar . . 3 Almeida Fabio C.L. . 4 Pinheiro Anderson S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 119 "13C chemical shifts" 332 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-08 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27946 'RA-bound CRABP2 monomer' stop_ _Original_release_date 2019-06-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Retinoic Acid Binding Leads to CRABP2 Rigidification and Dimerization ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31566355 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lixa Carolina . . 2 Clarkson Michael W. . 3 Iqbal Anwar . . 4 Moon Thomas M. . 5 Almeida Fabio . . 6 Peti Wolfgang . . 7 Pinheiro Anderson S. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 58 _Journal_issue 41 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4183 _Page_last 4194 _Year 2019 _Details . loop_ _Keyword CRABP2 NMR dynamics iLBP 'retinoic acid' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CRABP2 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CRABP2 monomer' $CRABP2 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_CRABP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CRABP2 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Retinoic acid transportation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; GHMPNFSGNWKIIRSENFEE LLKVLGVNVMLRKIAVAAAS KPAVEIKQEGDTFYIKTSTT VRTTEINFKVGEEFEEQTVD GRPCKSLVKWESENKMVCEQ KLLKGEGPKTSWTRELTNDG ELILTMTADDVVCTRVYVRE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 HIS 3 0 MET 4 1 PRO 5 2 ASN 6 3 PHE 7 4 SER 8 5 GLY 9 6 ASN 10 7 TRP 11 8 LYS 12 9 ILE 13 10 ILE 14 11 ARG 15 12 SER 16 13 GLU 17 14 ASN 18 15 PHE 19 16 GLU 20 17 GLU 21 18 LEU 22 19 LEU 23 20 LYS 24 21 VAL 25 22 LEU 26 23 GLY 27 24 VAL 28 25 ASN 29 26 VAL 30 27 MET 31 28 LEU 32 29 ARG 33 30 LYS 34 31 ILE 35 32 ALA 36 33 VAL 37 34 ALA 38 35 ALA 39 36 ALA 40 37 SER 41 38 LYS 42 39 PRO 43 40 ALA 44 41 VAL 45 42 GLU 46 43 ILE 47 44 LYS 48 45 GLN 49 46 GLU 50 47 GLY 51 48 ASP 52 49 THR 53 50 PHE 54 51 TYR 55 52 ILE 56 53 LYS 57 54 THR 58 55 SER 59 56 THR 60 57 THR 61 58 VAL 62 59 ARG 63 60 THR 64 61 THR 65 62 GLU 66 63 ILE 67 64 ASN 68 65 PHE 69 66 LYS 70 67 VAL 71 68 GLY 72 69 GLU 73 70 GLU 74 71 PHE 75 72 GLU 76 73 GLU 77 74 GLN 78 75 THR 79 76 VAL 80 77 ASP 81 78 GLY 82 79 ARG 83 80 PRO 84 81 CYS 85 82 LYS 86 83 SER 87 84 LEU 88 85 VAL 89 86 LYS 90 87 TRP 91 88 GLU 92 89 SER 93 90 GLU 94 91 ASN 95 92 LYS 96 93 MET 97 94 VAL 98 95 CYS 99 96 GLU 100 97 GLN 101 98 LYS 102 99 LEU 103 100 LEU 104 101 LYS 105 102 GLY 106 103 GLU 107 104 GLY 108 105 PRO 109 106 LYS 110 107 THR 111 108 SER 112 109 TRP 113 110 THR 114 111 ARG 115 112 GLU 116 113 LEU 117 114 THR 118 115 ASN 119 116 ASP 120 117 GLY 121 118 GLU 122 119 LEU 123 120 ILE 124 121 LEU 125 122 THR 126 123 MET 127 124 THR 128 125 ALA 129 126 ASP 130 127 ASP 131 128 VAL 132 129 VAL 133 130 CYS 134 131 THR 135 132 ARG 136 133 VAL 137 134 TYR 138 135 VAL 139 136 ARG 140 137 GLU 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 $CRABP2 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 $CRABP2 'recombinant technology' . Escherichia coli . RP1B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Buffer: 20mM NaP (pH 7.4); 150mM NaCl; 5mM DTT.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CRABP2 1 mM '[U-13C; U-15N]' NaP 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Buffer: 20mM NaP (pH 7.4); 150mM NaCl; 5mM DTT.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.170 . M pH 7.4 . 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 _Correction_value DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 2.73 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 -0.07 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 0.07 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' 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 'CRABP2 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 4 PRO C C 175.381 . 1 2 1 4 PRO CA C 63.084 . 1 3 1 4 PRO CB C 31.88 . 1 4 2 5 ASN H H 8.275 . 1 5 2 5 ASN C C 174.915 . 1 6 2 5 ASN CA C 52.138 . 1 7 2 5 ASN CB C 39.218 . 1 8 2 5 ASN N N 120.21 . 1 9 3 6 PHE H H 9.675 . 1 10 3 6 PHE C C 175.352 . 1 11 3 6 PHE CA C 60.291 . 1 12 3 6 PHE CB C 40.621 . 1 13 3 6 PHE N N 121.688 . 1 14 4 7 SER H H 8.384 . 1 15 4 7 SER C C 174.547 . 1 16 4 7 SER CA C 60.553 . 1 17 4 7 SER CB C 64.37 . 1 18 4 7 SER N N 113.015 . 1 19 5 8 GLY H H 9.09 . 1 20 5 8 GLY C C 170.67 . 1 21 5 8 GLY CA C 44.576 . 1 22 5 8 GLY N N 110.857 . 1 23 6 9 ASN H H 8.088 . 1 24 6 9 ASN C C 174.108 . 1 25 6 9 ASN CA C 52.901 . 1 26 6 9 ASN CB C 39.903 . 1 27 6 9 ASN N N 118.965 . 1 28 7 10 TRP H H 9.267 . 1 29 7 10 TRP C C 175.619 . 1 30 7 10 TRP CA C 56.596 . 1 31 7 10 TRP CB C 31.842 . 1 32 7 10 TRP N N 123.624 . 1 33 8 11 LYS H H 10.017 . 1 34 8 11 LYS C C 175.354 . 1 35 8 11 LYS CA C 53.853 . 1 36 8 11 LYS N N 124.242 . 1 37 9 12 ILE H H 8.817 . 1 38 9 12 ILE C C 175.177 . 1 39 9 12 ILE CA C 61.697 . 1 40 9 12 ILE CB C 39.583 . 1 41 9 12 ILE N N 126.01 . 1 42 10 13 ILE H H 9.176 . 1 43 10 13 ILE CA C 61.033 . 1 44 10 13 ILE CB C 41.375 . 1 45 10 13 ILE N N 118.644 . 1 46 11 14 ARG H H 7.357 . 1 47 11 14 ARG C C 173.588 . 1 48 11 14 ARG CA C 56.548 . 1 49 11 14 ARG CB C 33.952 . 1 50 11 14 ARG N N 120.986 . 1 51 12 15 SER H H 8.246 . 1 52 12 15 SER C C 173.143 . 1 53 12 15 SER CA C 56.974 . 1 54 12 15 SER CB C 64.602 . 1 55 12 15 SER N N 116.009 . 1 56 14 17 ASN H H 8.327 . 1 57 14 17 ASN C C 175.003 . 1 58 14 17 ASN CA C 52.326 . 1 59 14 17 ASN CB C 39.372 . 1 60 14 17 ASN N N 119.549 . 1 61 15 18 PHE H H 9.508 . 1 62 15 18 PHE CA C 60.77 . 1 63 15 18 PHE N N 120.797 . 1 64 17 20 GLU H H 8.219 . 1 65 17 20 GLU C C 178.573 . 1 66 17 20 GLU CA C 60.023 . 1 67 17 20 GLU CB C 28.399 . 1 68 17 20 GLU N N 118.714 . 1 69 18 21 LEU H H 7.508 . 1 70 18 21 LEU C C 177.55 . 1 71 18 21 LEU CA C 58.338 . 1 72 18 21 LEU CB C 42.11 . 1 73 18 21 LEU N N 121.837 . 1 74 19 22 LEU H H 7.312 . 1 75 19 22 LEU CA C 57.547 . 1 76 19 22 LEU CB C 40.823 . 1 77 19 22 LEU N N 115.148 . 1 78 20 23 LYS H H 8.096 . 1 79 20 23 LYS C C 180.996 . 1 80 20 23 LYS CA C 60.393 . 1 81 20 23 LYS CB C 32.296 . 1 82 20 23 LYS N N 119.026 . 1 83 21 24 VAL H H 7.766 . 1 84 21 24 VAL C C 177.511 . 1 85 21 24 VAL CA C 65.775 . 1 86 21 24 VAL CB C 31.395 . 1 87 21 24 VAL N N 121.531 . 1 88 22 25 LEU H H 7.147 . 1 89 22 25 LEU C C 176.307 . 1 90 22 25 LEU CA C 55.31 . 1 91 22 25 LEU CB C 41.273 . 1 92 22 25 LEU N N 118.244 . 1 93 23 26 GLY H H 7.595 . 1 94 23 26 GLY C C 174.728 . 1 95 23 26 GLY CA C 45.637 . 1 96 23 26 GLY N N 106.925 . 1 97 24 27 VAL H H 7.528 . 1 98 24 27 VAL C C 176.33 . 1 99 24 27 VAL CA C 63.008 . 1 100 24 27 VAL CB C 31.279 . 1 101 24 27 VAL N N 121.869 . 1 102 25 28 ASN H H 8.545 . 1 103 25 28 ASN C C 175.353 . 1 104 25 28 ASN CA C 53.923 . 1 105 25 28 ASN CB C 38.881 . 1 106 25 28 ASN N N 128.085 . 1 107 26 29 VAL H H 8.311 . 1 108 26 29 VAL C C 176.155 . 1 109 26 29 VAL CA C 66.485 . 1 110 26 29 VAL CB C 31.827 . 1 111 26 29 VAL N N 120.441 . 1 112 27 30 MET H H 7.853 . 1 113 27 30 MET C C 178.897 . 1 114 27 30 MET CA C 58.508 . 1 115 27 30 MET CB C 31.594 . 1 116 27 30 MET N N 119.916 . 1 117 28 31 LEU H H 7.731 . 1 118 28 31 LEU C C 180.031 . 1 119 28 31 LEU CA C 56.756 . 1 120 28 31 LEU CB C 41.519 . 1 121 28 31 LEU N N 119.203 . 1 122 30 33 LYS H H 7.617 . 1 123 30 33 LYS CA C 59.608 . 1 124 30 33 LYS N N 117.664 . 1 125 31 34 ILE H H 7.091 . 1 126 31 34 ILE CA C 64.191 . 1 127 31 34 ILE N N 119.318 . 1 128 32 35 ALA H H 7.997 . 1 129 32 35 ALA CA C 55.104 . 1 130 32 35 ALA CB C 23.361 . 1 131 32 35 ALA N N 123.43 . 1 132 33 36 VAL H H 8.454 . 1 133 33 36 VAL CA C 66.119 . 1 134 33 36 VAL CB C 32.541 . 1 135 33 36 VAL N N 117.425 . 1 136 37 40 SER H H 7.324 . 1 137 37 40 SER CA C 60.553 . 1 138 37 40 SER CB C 63.826 . 1 139 37 40 SER N N 113.648 . 1 140 39 42 PRO C C 176.438 . 1 141 39 42 PRO CA C 62.927 . 1 142 40 43 ALA H H 8.599 . 1 143 40 43 ALA C C 176.984 . 1 144 40 43 ALA CA C 51.856 . 1 145 40 43 ALA N N 125.184 . 1 146 42 45 GLU H H 9.22 . 1 147 42 45 GLU C C 174.904 . 1 148 42 45 GLU CA C 54.703 . 1 149 42 45 GLU CB C 33.237 . 1 150 42 45 GLU N N 130.118 . 1 151 43 46 ILE H H 9.218 . 1 152 43 46 ILE C C 176.611 . 1 153 43 46 ILE CA C 59.874 . 1 154 43 46 ILE CB C 40.509 . 1 155 43 46 ILE N N 123.551 . 1 156 44 47 LYS H H 9.433 . 1 157 44 47 LYS C C 173.578 . 1 158 44 47 LYS CA C 56.291 . 1 159 44 47 LYS CB C 34.833 . 1 160 44 47 LYS N N 129.204 . 1 161 45 48 GLN H H 8.488 . 1 162 45 48 GLN C C 174.911 . 1 163 45 48 GLN CA C 53.771 . 1 164 45 48 GLN CB C 30.234 . 1 165 45 48 GLN N N 128.572 . 1 166 46 49 GLU H H 8.443 . 1 167 46 49 GLU C C 176.066 . 1 168 46 49 GLU CA C 55.016 . 1 169 46 49 GLU CB C 30.466 . 1 170 46 49 GLU N N 129.05 . 1 171 47 50 GLY H H 9.014 . 1 172 47 50 GLY C C 173.144 . 1 173 47 50 GLY CA C 47.768 . 1 174 47 50 GLY N N 118.164 . 1 175 48 51 ASP H H 8.387 . 1 176 48 51 ASP C C 175.27 . 1 177 48 51 ASP CA C 54.415 . 1 178 48 51 ASP CB C 41.743 . 1 179 48 51 ASP N N 126.308 . 1 180 49 52 THR H H 7.964 . 1 181 49 52 THR C C 172.875 . 1 182 49 52 THR CA C 62.773 . 1 183 49 52 THR CB C 69.437 . 1 184 49 52 THR N N 116.881 . 1 185 50 53 PHE H H 8.968 . 1 186 50 53 PHE C C 174.129 . 1 187 50 53 PHE CA C 57.576 . 1 188 50 53 PHE CB C 44.188 . 1 189 50 53 PHE N N 124.509 . 1 190 51 54 TYR H H 8.234 . 1 191 51 54 TYR C C 174.827 . 1 192 51 54 TYR CA C 56.125 . 1 193 51 54 TYR CB C 40.783 . 1 194 51 54 TYR N N 122.82 . 1 195 52 55 ILE H H 8.35 . 1 196 52 55 ILE C C 174.208 . 1 197 52 55 ILE CA C 60.808 . 1 198 52 55 ILE CB C 39.925 . 1 199 52 55 ILE N N 123.857 . 1 200 53 56 LYS H H 9.221 . 1 201 53 56 LYS CA C 54.379 . 1 202 53 56 LYS CB C 34.609 . 1 203 53 56 LYS N N 132.925 . 1 204 54 57 THR H H 8.846 . 1 205 54 57 THR C C 174.29 . 1 206 54 57 THR CA C 62.023 . 1 207 54 57 THR CB C 69.921 . 1 208 54 57 THR N N 124.693 . 1 209 55 58 SER H H 9.34 . 1 210 55 58 SER C C 173.752 . 1 211 55 58 SER CA C 57.804 . 1 212 55 58 SER CB C 65.311 . 1 213 55 58 SER N N 123.178 . 1 214 59 62 ARG H H 7.297 . 1 215 59 62 ARG CA C 56.099 . 1 216 59 62 ARG CB C 33.126 . 1 217 59 62 ARG N N 118.877 . 1 218 61 64 THR H H 8.888 . 1 219 61 64 THR CA C 60.33 . 1 220 61 64 THR CB C 71.64 . 1 221 61 64 THR N N 120.616 . 1 222 62 65 GLU H H 8.711 . 1 223 62 65 GLU C C 175.072 . 1 224 62 65 GLU CA C 55.081 . 1 225 62 65 GLU CB C 33.473 . 1 226 62 65 GLU N N 124.149 . 1 227 63 66 ILE H H 8.356 . 1 228 63 66 ILE C C 173.214 . 1 229 63 66 ILE CA C 59.389 . 1 230 63 66 ILE CB C 42.194 . 1 231 63 66 ILE N N 118.127 . 1 232 64 67 ASN H H 8.01 . 1 233 64 67 ASN C C 173.138 . 1 234 64 67 ASN CA C 52.131 . 1 235 64 67 ASN CB C 42.465 . 1 236 64 67 ASN N N 120.774 . 1 237 65 68 PHE H H 8.236 . 1 238 65 68 PHE C C 171.819 . 1 239 65 68 PHE CA C 55.861 . 1 240 65 68 PHE CB C 40.354 . 1 241 65 68 PHE N N 117.33 . 1 242 66 69 LYS H H 9.228 . 1 243 66 69 LYS C C 177.829 . 1 244 66 69 LYS CA C 53.783 . 1 245 66 69 LYS CB C 35.078 . 1 246 66 69 LYS N N 121.191 . 1 247 67 70 VAL H H 8.934 . 1 248 67 70 VAL C C 176.839 . 1 249 67 70 VAL CA C 66.994 . 1 250 67 70 VAL CB C 31.384 . 1 251 67 70 VAL N N 127.845 . 1 252 68 71 GLY H H 8.731 . 1 253 68 71 GLY C C 173.407 . 1 254 68 71 GLY CA C 45.526 . 1 255 68 71 GLY N N 115.105 . 1 256 69 72 GLU H H 7.83 . 1 257 69 72 GLU C C 176.497 . 1 258 69 72 GLU CA C 54.705 . 1 259 69 72 GLU CB C 32.093 . 1 260 69 72 GLU N N 120.494 . 1 261 70 73 GLU H H 9.12 . 1 262 70 73 GLU C C 175.342 . 1 263 70 73 GLU CA C 57.557 . 1 264 70 73 GLU CB C 31.165 . 1 265 70 73 GLU N N 130.577 . 1 266 71 74 PHE H H 8.923 . 1 267 71 74 PHE C C 172.255 . 1 268 71 74 PHE CA C 55.628 . 1 269 71 74 PHE CB C 41.06 . 1 270 71 74 PHE N N 121.732 . 1 271 72 75 GLU H H 8.571 . 1 272 72 75 GLU C C 175.792 . 1 273 72 75 GLU CA C 55.303 . 1 274 72 75 GLU CB C 31.6 . 1 275 72 75 GLU N N 119.869 . 1 276 73 76 GLU H H 8.325 . 1 277 73 76 GLU C C 174.295 . 1 278 73 76 GLU CA C 55.173 . 1 279 73 76 GLU CB C 29.533 . 1 280 73 76 GLU N N 122.319 . 1 281 74 77 GLN H H 7.478 . 1 282 74 77 GLN C C 177.018 . 1 283 74 77 GLN CA C 54.073 . 1 284 74 77 GLN CB C 32.563 . 1 285 74 77 GLN N N 117.899 . 1 286 75 78 THR H H 9.175 . 1 287 75 78 THR C C 178.02 . 1 288 75 78 THR CA C 62.091 . 1 289 75 78 THR CB C 70.942 . 1 290 75 78 THR N N 112.416 . 1 291 76 79 VAL H H 9.021 . 1 292 76 79 VAL C C 177.514 . 1 293 76 79 VAL CA C 65.149 . 1 294 76 79 VAL N N 122.134 . 1 295 77 80 ASP H H 8.71 . 1 296 77 80 ASP N N 113.87 . 1 297 78 81 GLY H H 7.864 . 1 298 78 81 GLY CA C 45.764 . 1 299 78 81 GLY N N 108.595 . 1 300 79 82 ARG H H 7.745 . 1 301 79 82 ARG C C 174.646 . 1 302 79 82 ARG CA C 53.755 . 1 303 79 82 ARG CB C 29.986 . 1 304 79 82 ARG N N 121.248 . 1 305 80 83 PRO C C 176.347 . 1 306 80 83 PRO CA C 63.616 . 1 307 80 83 PRO CB C 32.563 . 1 308 81 84 CYS H H 8.775 . 1 309 81 84 CYS C C 171.206 . 1 310 81 84 CYS CA C 55.686 . 1 311 81 84 CYS CB C 31.378 . 1 312 81 84 CYS N N 118.999 . 1 313 82 85 LYS H H 8.78 . 1 314 82 85 LYS C C 175.706 . 1 315 82 85 LYS CA C 54.332 . 1 316 82 85 LYS CB C 33.926 . 1 317 82 85 LYS N N 120.105 . 1 318 83 86 SER H H 8.956 . 1 319 83 86 SER C C 171.555 . 1 320 83 86 SER CA C 57.599 . 1 321 83 86 SER CB C 67.849 . 1 322 83 86 SER N N 125.103 . 1 323 84 87 LEU H H 7.26 . 1 324 84 87 LEU C C 174.214 . 1 325 84 87 LEU CA C 55.044 . 1 326 84 87 LEU CB C 44.889 . 1 327 84 87 LEU N N 120.987 . 1 328 85 88 VAL H H 9.13 . 1 329 85 88 VAL C C 174.289 . 1 330 85 88 VAL CA C 60.443 . 1 331 85 88 VAL CB C 32.317 . 1 332 85 88 VAL N N 130.328 . 1 333 86 89 LYS H H 8.4 . 1 334 86 89 LYS C C 175.973 . 1 335 86 89 LYS CA C 53.985 . 1 336 86 89 LYS CB C 36.577 . 1 337 86 89 LYS N N 124.101 . 1 338 87 90 TRP H H 8.557 . 1 339 87 90 TRP C C 177.556 . 1 340 87 90 TRP CA C 56.839 . 1 341 87 90 TRP CB C 29.096 . 1 342 87 90 TRP N N 120.564 . 1 343 88 91 GLU H H 9.128 . 1 344 88 91 GLU C C 176.06 . 1 345 88 91 GLU CA C 57.924 . 1 346 88 91 GLU CB C 32.088 . 1 347 88 91 GLU N N 127.989 . 1 348 89 92 SER H H 8.495 . 1 349 89 92 SER C C 173.945 . 1 350 89 92 SER CA C 56.839 . 1 351 89 92 SER CB C 64.799 . 1 352 89 92 SER N N 112.848 . 1 353 90 93 GLU H H 8.718 . 1 354 90 93 GLU C C 175.616 . 1 355 90 93 GLU CA C 59.079 . 1 356 90 93 GLU CB C 29.084 . 1 357 90 93 GLU N N 117.043 . 1 358 91 94 ASN H H 7.987 . 1 359 91 94 ASN C C 174.114 . 1 360 91 94 ASN CA C 52.595 . 1 361 91 94 ASN CB C 39.903 . 1 362 91 94 ASN N N 111.842 . 1 363 92 95 LYS H H 7.757 . 1 364 92 95 LYS C C 173.758 . 1 365 92 95 LYS CA C 56.762 . 1 366 92 95 LYS CB C 36.707 . 1 367 92 95 LYS N N 120.2 . 1 368 93 96 MET H H 9.243 . 1 369 93 96 MET C C 173.719 . 1 370 93 96 MET CA C 53.327 . 1 371 93 96 MET CB C 34.832 . 1 372 93 96 MET N N 127.194 . 1 373 94 97 VAL H H 8.759 . 1 374 94 97 VAL C C 172.787 . 1 375 94 97 VAL CA C 60.129 . 1 376 94 97 VAL CB C 34.565 . 1 377 94 97 VAL N N 119.517 . 1 378 95 98 CYS H H 8.741 . 1 379 95 98 CYS C C 173.982 . 1 380 95 98 CYS CA C 55.413 . 1 381 95 98 CYS CB C 27.467 . 1 382 95 98 CYS N N 127.502 . 1 383 96 99 GLU H H 7.599 . 1 384 96 99 GLU C C 175.354 . 1 385 96 99 GLU CA C 55.068 . 1 386 96 99 GLU CB C 31.271 . 1 387 96 99 GLU N N 127.899 . 1 388 97 100 GLN H H 7.331 . 1 389 97 100 GLN C C 175.88 . 1 390 97 100 GLN CA C 54.441 . 1 391 97 100 GLN CB C 30.483 . 1 392 97 100 GLN N N 121.215 . 1 393 98 101 LYS H H 8.85 . 1 394 98 101 LYS C C 175.61 . 1 395 98 101 LYS CA C 54.548 . 1 396 98 101 LYS CB C 34.736 . 1 397 98 101 LYS N N 123.26 . 1 398 99 102 LEU H H 8.713 . 1 399 99 102 LEU C C 178.133 . 1 400 99 102 LEU CA C 55.811 . 1 401 99 102 LEU CB C 41.754 . 1 402 99 102 LEU N N 126.303 . 1 403 100 103 LEU H H 7.649 . 1 404 100 103 LEU C C 177.394 . 1 405 100 103 LEU CA C 56.897 . 1 406 100 103 LEU CB C 42.051 . 1 407 100 103 LEU N N 121.905 . 1 408 101 104 LYS H H 7.922 . 1 409 101 104 LYS C C 175.355 . 1 410 101 104 LYS CA C 55.388 . 1 411 101 104 LYS CB C 34.799 . 1 412 101 104 LYS N N 117.797 . 1 413 102 105 GLY H H 8.134 . 1 414 102 105 GLY C C 172.508 . 1 415 102 105 GLY CA C 44.793 . 1 416 102 105 GLY N N 109.126 . 1 417 103 106 GLU H H 8.04 . 1 418 103 106 GLU C C 175.786 . 1 419 103 106 GLU CA C 54.755 . 1 420 103 106 GLU CB C 32.562 . 1 421 103 106 GLU N N 117.281 . 1 422 104 107 GLY H H 8.052 . 1 423 104 107 GLY CA C 45.419 . 1 424 104 107 GLY N N 109.292 . 1 425 105 108 PRO C C 175.465 . 1 426 105 108 PRO CA C 62.566 . 1 427 105 108 PRO CB C 32.099 . 1 428 106 109 LYS H H 8.462 . 1 429 106 109 LYS C C 177.815 . 1 430 106 109 LYS CA C 56.517 . 1 431 106 109 LYS CB C 32.304 . 1 432 106 109 LYS N N 123.776 . 1 433 107 110 THR H H 8.698 . 1 434 107 110 THR C C 173.583 . 1 435 107 110 THR CA C 60.002 . 1 436 107 110 THR CB C 72.204 . 1 437 107 110 THR N N 118.987 . 1 438 108 111 SER H H 7.71 . 1 439 108 111 SER C C 173.941 . 1 440 108 111 SER CA C 57.077 . 1 441 108 111 SER CB C 66.704 . 1 442 108 111 SER N N 112.698 . 1 443 109 112 TRP H H 8.101 . 1 444 109 112 TRP C C 174.558 . 1 445 109 112 TRP CA C 55.971 . 1 446 109 112 TRP CB C 33.003 . 1 447 109 112 TRP N N 116.481 . 1 448 110 113 THR H H 9.47 . 1 449 110 113 THR C C 174.466 . 1 450 110 113 THR CA C 60.78 . 1 451 110 113 THR CB C 71.978 . 1 452 110 113 THR N N 111.417 . 1 453 111 114 ARG H H 8.689 . 1 454 111 114 ARG C C 173.673 . 1 455 111 114 ARG CA C 55.863 . 1 456 111 114 ARG CB C 35.292 . 1 457 111 114 ARG N N 120.56 . 1 458 112 115 GLU H H 8.787 . 1 459 112 115 GLU C C 173.069 . 1 460 112 115 GLU CA C 53.812 . 1 461 112 115 GLU CB C 34.604 . 1 462 112 115 GLU N N 123.479 . 1 463 113 116 LEU H H 8.139 . 1 464 113 116 LEU C C 177.829 . 1 465 113 116 LEU CA C 52.625 . 1 466 113 116 LEU CB C 43.61 . 1 467 113 116 LEU N N 126.646 . 1 468 114 117 THR H H 9.271 . 1 469 114 117 THR C C 176.949 . 1 470 114 117 THR CA C 60.386 . 1 471 114 117 THR CB C 71.554 . 1 472 114 117 THR N N 117.226 . 1 473 116 119 ASP H H 7.63 . 1 474 116 119 ASP C C 176.054 . 1 475 116 119 ASP CA C 54.175 . 1 476 116 119 ASP CB C 41.07 . 1 477 116 119 ASP N N 115.95 . 1 478 117 120 GLY H H 7.878 . 1 479 117 120 GLY C C 174.373 . 1 480 117 120 GLY CA C 46.012 . 1 481 117 120 GLY N N 108.047 . 1 482 118 121 GLU H H 7.333 . 1 483 118 121 GLU C C 174.289 . 1 484 118 121 GLU CA C 55.377 . 1 485 118 121 GLU CB C 30.701 . 1 486 118 121 GLU N N 117.731 . 1 487 119 122 LEU H H 8.939 . 1 488 119 122 LEU C C 175.395 . 1 489 119 122 LEU CA C 53.747 . 1 490 119 122 LEU CB C 42.922 . 1 491 119 122 LEU N N 126.01 . 1 492 120 123 ILE H H 9.333 . 1 493 120 123 ILE C C 176.495 . 1 494 120 123 ILE CA C 60.561 . 1 495 120 123 ILE CB C 39.351 . 1 496 120 123 ILE N N 125.477 . 1 497 121 124 LEU H H 9.741 . 1 498 121 124 LEU N N 134.952 . 1 499 122 125 THR H H 9.031 . 1 500 122 125 THR C C 174.109 . 1 501 122 125 THR CA C 60.296 . 1 502 122 125 THR CB C 70.687 . 1 503 122 125 THR N N 120.301 . 1 504 123 126 MET H H 9.219 . 1 505 123 126 MET C C 174.205 . 1 506 123 126 MET CA C 54.963 . 1 507 123 126 MET CB C 37.843 . 1 508 123 126 MET N N 122.093 . 1 509 124 127 THR H H 8.151 . 1 510 124 127 THR C C 174.909 . 1 511 124 127 THR CA C 60.505 . 1 512 124 127 THR CB C 71.063 . 1 513 124 127 THR N N 115.746 . 1 514 125 128 ALA H H 8.31 . 1 515 125 128 ALA C C 175.395 . 1 516 125 128 ALA CA C 51.434 . 1 517 125 128 ALA CB C 21.004 . 1 518 125 128 ALA N N 125.8 . 1 519 126 129 ASP H H 9.145 . 1 520 126 129 ASP C C 175.352 . 1 521 126 129 ASP CA C 57.146 . 1 522 126 129 ASP CB C 39.233 . 1 523 126 129 ASP N N 122.598 . 1 524 127 130 ASP H H 8.385 . 1 525 127 130 ASP C C 175.522 . 1 526 127 130 ASP CA C 54.65 . 1 527 127 130 ASP CB C 40.639 . 1 528 127 130 ASP N N 121.286 . 1 529 128 131 VAL H H 8.317 . 1 530 128 131 VAL C C 173.939 . 1 531 128 131 VAL CA C 63.449 . 1 532 128 131 VAL CB C 32.563 . 1 533 128 131 VAL N N 123.748 . 1 534 129 132 VAL H H 8.296 . 1 535 129 132 VAL C C 175.71 . 1 536 129 132 VAL CA C 61.23 . 1 537 129 132 VAL CB C 34.154 . 1 538 129 132 VAL N N 125.833 . 1 539 130 133 CYS H H 9.455 . 1 540 130 133 CYS C C 173.588 . 1 541 130 133 CYS CA C 55.979 . 1 542 130 133 CYS CB C 29.986 . 1 543 130 133 CYS N N 129.559 . 1 544 131 134 THR H H 7.999 . 1 545 131 134 THR C C 173.676 . 1 546 131 134 THR CA C 62.087 . 1 547 131 134 THR CB C 70.828 . 1 548 131 134 THR N N 124.618 . 1 549 132 135 ARG H H 9.544 . 1 550 132 135 ARG CA C 55.076 . 1 551 132 135 ARG N N 126.878 . 1 552 134 137 TYR H H 9.62 . 1 553 134 137 TYR CA C 55.965 . 1 554 134 137 TYR CB C 42.847 . 1 555 134 137 TYR N N 126.446 . 1 556 135 138 VAL H H 9.211 . 1 557 135 138 VAL C C 175.528 . 1 558 135 138 VAL CA C 59.548 . 1 559 135 138 VAL CB C 35.753 . 1 560 135 138 VAL N N 112.456 . 1 561 136 139 ARG H H 8.484 . 1 562 136 139 ARG C C 177.207 . 1 563 136 139 ARG CA C 57.203 . 1 564 136 139 ARG CB C 29.986 . 1 565 136 139 ARG N N 123.673 . 1 566 137 140 GLU H H 8.018 . 1 567 137 140 GLU C C 181.354 . 1 568 137 140 GLU CA C 58.496 . 1 569 137 140 GLU CB C 31.37 . 1 570 137 140 GLU N N 127.16 . 1 stop_ save_