data_19776 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of tandem RRM domains of cytoplasmic polyadenylation element binding protein 4 (CPEB4) in complex with RNA ; _BMRB_accession_number 19776 _BMRB_flat_file_name bmr19776.str _Entry_type original _Submission_date 2014-02-07 _Accession_date 2014-02-07 _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 Afroz Tariq . . 2 Skrisovska Lenka . . 3 Belloc Eulalia . . 4 Boixet Jordina G. . 5 Mendez Raul . . 6 Allain Frederic H.-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 955 "13C chemical shifts" 521 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-21 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19771 CPEB1ZZ 19775 CPEB1RRM12 19777 'CPEB4RRM12 in free state' 19778 'CPEB1RRM12 in complex with RNA' stop_ _Original_release_date 2014-07-21 save_ ############################# # Citation for this entry # ############################# save_CPEB4RRM12Complex_Citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A fly trap mechanism provides sequence-specific RNA recognition by CPEB proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24990967 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Afroz Tariq . . 2 Skrisovska Lenka . . 3 Belloc Eulalia G. . 4 Boixet Jordina G. . 5 Mendez Raul . . 6 Allain Frederic H.-T. . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_volume 28 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1498 _Page_last 1514 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CPEB4RRM12 in complex with RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CPEB4RRM12 $CPEB4RRM12 'RNA (5'-R(*CP*UP*UP*UP*A)-3')' $RNA_(5'-CUUUA)-3') 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_CPEB4RRM12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CPEB4RRM12 _Molecular_mass 22826.154 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 203 _Mol_residue_sequence ; SHQNGERVERYSRKVFVGGL PPDIDEDEITASFRRFGPLI VDWPHKAESKSYFPPKGYAF LLFQDESSVQALIDACIEED GKLYLCVSSPTIKDKPVQIR PWNLSDSDFVMDGSQPLDPR KTIFVGGVPRPLRAVELAMI MDRLYGGVCYAGIDTDPELK YPKGAGRVAFSNQQSYIAAI SARFVQLQHGEIDKRVEVKP YVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 53 SER 2 54 HIS 3 55 GLN 4 56 ASN 5 57 GLY 6 58 GLU 7 59 ARG 8 60 VAL 9 61 GLU 10 62 ARG 11 63 TYR 12 64 SER 13 65 ARG 14 66 LYS 15 67 VAL 16 68 PHE 17 69 VAL 18 70 GLY 19 71 GLY 20 72 LEU 21 73 PRO 22 74 PRO 23 75 ASP 24 76 ILE 25 77 ASP 26 78 GLU 27 79 ASP 28 80 GLU 29 81 ILE 30 82 THR 31 83 ALA 32 84 SER 33 85 PHE 34 86 ARG 35 87 ARG 36 88 PHE 37 89 GLY 38 90 PRO 39 91 LEU 40 92 ILE 41 93 VAL 42 94 ASP 43 95 TRP 44 96 PRO 45 97 HIS 46 98 LYS 47 99 ALA 48 100 GLU 49 101 SER 50 102 LYS 51 103 SER 52 104 TYR 53 105 PHE 54 106 PRO 55 107 PRO 56 108 LYS 57 109 GLY 58 110 TYR 59 111 ALA 60 112 PHE 61 113 LEU 62 114 LEU 63 115 PHE 64 116 GLN 65 117 ASP 66 118 GLU 67 119 SER 68 120 SER 69 121 VAL 70 122 GLN 71 123 ALA 72 124 LEU 73 125 ILE 74 126 ASP 75 127 ALA 76 128 CYS 77 129 ILE 78 130 GLU 79 131 GLU 80 132 ASP 81 133 GLY 82 134 LYS 83 135 LEU 84 136 TYR 85 137 LEU 86 138 CYS 87 139 VAL 88 140 SER 89 141 SER 90 142 PRO 91 143 THR 92 144 ILE 93 145 LYS 94 146 ASP 95 147 LYS 96 148 PRO 97 149 VAL 98 150 GLN 99 151 ILE 100 152 ARG 101 153 PRO 102 154 TRP 103 155 ASN 104 156 LEU 105 157 SER 106 158 ASP 107 159 SER 108 160 ASP 109 161 PHE 110 162 VAL 111 163 MET 112 164 ASP 113 165 GLY 114 166 SER 115 167 GLN 116 168 PRO 117 169 LEU 118 170 ASP 119 171 PRO 120 172 ARG 121 173 LYS 122 174 THR 123 175 ILE 124 176 PHE 125 177 VAL 126 178 GLY 127 179 GLY 128 180 VAL 129 181 PRO 130 182 ARG 131 183 PRO 132 184 LEU 133 185 ARG 134 186 ALA 135 187 VAL 136 188 GLU 137 189 LEU 138 190 ALA 139 191 MET 140 192 ILE 141 193 MET 142 194 ASP 143 195 ARG 144 196 LEU 145 197 TYR 146 198 GLY 147 199 GLY 148 200 VAL 149 201 CYS 150 202 TYR 151 203 ALA 152 204 GLY 153 205 ILE 154 206 ASP 155 207 THR 156 208 ASP 157 209 PRO 158 210 GLU 159 211 LEU 160 212 LYS 161 213 TYR 162 214 PRO 163 215 LYS 164 216 GLY 165 217 ALA 166 218 GLY 167 219 ARG 168 220 VAL 169 221 ALA 170 222 PHE 171 223 SER 172 224 ASN 173 225 GLN 174 226 GLN 175 227 SER 176 228 TYR 177 229 ILE 178 230 ALA 179 231 ALA 180 232 ILE 181 233 SER 182 234 ALA 183 235 ARG 184 236 PHE 185 237 VAL 186 238 GLN 187 239 LEU 188 240 GLN 189 241 HIS 190 242 GLY 191 243 GLU 192 244 ILE 193 245 ASP 194 246 LYS 195 247 ARG 196 248 VAL 197 249 GLU 198 250 VAL 199 251 LYS 200 252 PRO 201 253 TYR 202 254 VAL 203 255 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 BMRB 19777 CPEB4RRM12 100.00 203 100.00 100.00 1.13e-145 PDB 2MKI "Solution Structure Of Tandem Rrm Domains Of Cytoplasmic Polyadenylation Element Binding Protein 4 (cpeb4) In Complex With Rna" 100.00 203 100.00 100.00 1.13e-145 PDB 2MKJ "Solution Structure Of Tandem Rrm Domains Of Cytoplasmic Polyadenylation Element Binding Protein 4 (cpeb4) In Free State" 99.51 202 100.00 100.00 5.40e-145 DBJ BAA76784 "KIAA0940 protein [Homo sapiens]" 99.01 684 97.51 99.50 6.14e-137 DBJ BAB21764 "KIAA1673 protein [Homo sapiens]" 100.00 712 100.00 100.00 2.65e-140 DBJ BAB29821 "unnamed protein product [Mus musculus]" 100.00 295 99.51 100.00 1.01e-142 DBJ BAB29832 "unnamed protein product [Mus musculus]" 100.00 295 99.01 99.51 1.28e-141 DBJ BAC41458 "mKIAA0940 protein [Mus musculus]" 99.01 722 97.51 99.50 3.07e-136 EMBL CAD98072 "hypothetical protein [Homo sapiens]" 100.00 729 100.00 100.00 4.53e-140 EMBL CAF91663 "unnamed protein product, partial [Tetraodon nigroviridis]" 69.46 245 97.16 99.29 8.87e-92 EMBL CAG10148 "unnamed protein product [Tetraodon nigroviridis]" 99.51 761 97.52 99.01 1.43e-134 EMBL CAH91098 "hypothetical protein [Pongo abelii]" 100.00 482 97.04 100.00 1.32e-139 EMBL CAH91116 "hypothetical protein [Pongo abelii]" 100.00 443 99.51 100.00 3.56e-141 GB AAH36444 "Cytoplasmic polyadenylation element binding protein 3 [Homo sapiens]" 99.01 697 97.01 99.00 5.07e-134 GB AAH36899 "CPEB4 protein [Homo sapiens]" 100.00 322 100.00 100.00 4.71e-143 GB AAH55522 "Cytoplasmic polyadenylation element binding protein 4 [Danio rerio]" 99.51 635 97.52 99.01 8.49e-138 GB AAI03940 "CPEB2 protein [Homo sapiens]" 100.00 548 97.04 100.00 2.11e-138 GB AAI03941 "Cytoplasmic polyadenylation element binding protein 2 [Homo sapiens]" 100.00 589 97.04 100.00 5.33e-138 REF NP_001015925 "cytoplasmic polyadenylation element-binding protein 3 [Xenopus (Silurana) tropicalis]" 99.01 632 97.01 99.50 1.28e-136 REF NP_001100462 "cytoplasmic polyadenylation element-binding protein 4 [Rattus norvegicus]" 100.00 721 99.51 100.00 5.97e-140 REF NP_001170850 "cytoplasmic polyadenylation element-binding protein 2 isoform 2 [Mus musculus]" 100.00 992 97.04 100.00 3.40e-136 REF NP_001170852 "cytoplasmic polyadenylation element-binding protein 2 isoform C [Homo sapiens]" 100.00 1007 97.04 100.00 1.61e-135 REF NP_001170853 "cytoplasmic polyadenylation element-binding protein 2 isoform D [Homo sapiens]" 100.00 1034 97.04 100.00 2.65e-135 SP Q17RY0 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 4; Short=CPE-BP4; Short=CPE-binding protein 4; Short=hCPEB-4" 100.00 729 100.00 100.00 3.73e-140 SP Q28CH2 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 3; Short=CPE-BP3; Short=CPE-binding protein 3; Short=CPEB-3" 99.01 632 97.01 99.50 1.28e-136 SP Q7SXN4 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 4; Short=CPE-BP4; Short=CPE-binding protein 4; Short=CPEB-4" 99.51 635 97.52 99.01 8.49e-138 SP Q7TN98 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 4; Short=CPE-BP4; Short=CPE-binding protein 4; Short=mCPEB-4" 100.00 729 99.51 100.00 1.26e-139 SP Q7TN99 "RecName: Full=Cytoplasmic polyadenylation element-binding protein 3; Short=CPE-BP3; Short=CPE-binding protein 3; Short=mCPEB-3" 99.01 716 97.51 99.50 3.38e-136 TPG DAA14951 "TPA: cytoplasmic polyadenylation element binding protein 3 [Bos taurus]" 99.01 698 97.51 99.50 1.18e-136 TPG DAA18039 "TPA: cytoplasmic polyadenylation element binding protein 4 [Bos taurus]" 100.00 322 99.51 100.00 1.02e-142 TPG DAA28393 "TPA: cytoplasmic polyadenylation element binding protein 2 isoform 1 [Bos taurus]" 100.00 485 97.04 100.00 3.82e-139 TPG DAA28394 "TPA: cytoplasmic polyadenylation element binding protein 2 isoform 2 [Bos taurus]" 100.00 477 97.04 100.00 2.43e-139 TPG DAA28395 "TPA: cytoplasmic polyadenylation element binding protein 2 isoform 3 [Bos taurus]" 100.00 447 97.04 100.00 2.51e-139 stop_ save_ save_RNA_(5'-CUUUA)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-CUUUA)-3') _Molecular_mass 1507.939 _Mol_thiol_state 'not present' _Details . _Residue_count 5 _Mol_residue_sequence CUUUA loop_ _Residue_seq_code _Residue_label 1 C 2 U 3 U 4 U 5 A 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 $CPEB4RRM12 human 9606 Eukaryota Metazoa Homo sapiens $RNA_(5'-CUUUA)-3') 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 $CPEB4RRM12 'recombinant technology' . . . . pET28A(+) $RNA_(5'-CUUUA)-3') 'chemical synthesis' . . . . . 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 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' $CPEB4RRM12 0.6 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-CUUUA)-3') 0.6 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB4RRM12 . mM 0.4 0.6 '[U-100% 13C; U-100% 15N]' $RNA_(5'-CUUUA)-3') . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB4RRM12 . mM 0.4 0.6 '[U-100% 13C; U-100% 15N; U-80% 2H]' $RNA_(5'-CUUUA)-3') . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'sodium phosphate' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB4RRM12 . mM 0.4 0.6 '[U-100% 15N]' $RNA_(5'-CUUUA)-3') . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'potassium phosphate' 50 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CPEB4RRM12 . mM 0.4 0.6 '[U-100% 15N]' $RNA_(5'-CUUUA)-3') . mM 0.4 0.6 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' 'potassium phosphate' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_5 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_5 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_3D_trHNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCA' _Sample_label $sample_3 save_ save_3D_trHN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHN(CO)CA' _Sample_label $sample_3 save_ save_3D_trCBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trCBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_trHNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCACB' _Sample_label $sample_3 save_ save_3D_trHNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCO' _Sample_label $sample_3 save_ save_3D_trHCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHCACO' _Sample_label $sample_3 save_ save_3D_HCcH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCcH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_hCCH_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCCH TOCSY' _Sample_label $sample_3 save_ save_2D_1H-15N_TROSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_5 save_ save_2D_13C_F1-filtered_F2-filtered_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C F1-filtered F2-filtered NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_F1-13C-filtered_F2-13C-edited_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H F1-13C-filtered F2-13C-edited NOESY' _Sample_label $sample_1 save_ save_3D_13C_F1-edited,_F3-filtered_NOESY_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C F1-edited, F3-filtered NOESY HSQC' _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' 0.15 . M pH 7.0 . pH pressure 1 . atm temperature 303 . 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 water H 1 protons ppm 4.702 internal direct . . . 1.000000000 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_CPEB4RRM12Complex_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D trHNCA' '3D trHN(CO)CA' '3D trCBCA(CO)NH' '3D trHNCACB' '3D trHNCO' '3D trHCACO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D hCCH TOCSY' '2D 1H-15N TROSY' '2D 13C F1-filtered F2-filtered NOESY' stop_ loop_ _Sample_label $sample_5 $sample_2 $sample_4 $sample_3 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*CP*UP*UP*UP*A)-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 1 1 C H1' H 5.861 0.000 . 2 1 1 C H2' H 4.387 0.000 . 3 1 1 C H3' H 4.537 0.000 . 4 1 1 C H4' H 4.259 0.000 . 5 1 1 C H5 H 5.968 0.000 . 6 1 1 C H5' H 3.907 0.000 . 7 1 1 C H5'' H 3.818 0.000 . 8 1 1 C H6 H 7.802 0.006 . 9 1 1 C C1' C 90.12 0.000 . 10 1 1 C C3' C 73.24 0.000 . 11 1 1 C C4' C 83.25 0.000 . 12 1 1 C C5 C 96.21 0.000 . 13 2 2 U H1' H 6.021 0.000 . 14 2 2 U H2' H 4.380 0.000 . 15 2 2 U H3' H 4.740 0.000 . 16 2 2 U H4' H 4.370 0.000 . 17 2 2 U H5 H 5.845 0.000 . 18 2 2 U H5' H 3.921 0.000 . 19 2 2 U H5'' H 4.240 0.000 . 20 2 2 U H6 H 7.850 0.000 . 21 3 3 U H1' H 6.001 0.000 . 22 3 3 U H2' H 4.340 0.000 . 23 3 3 U H3' H 4.680 0.000 . 24 3 3 U H4' H 4.370 0.000 . 25 3 3 U H5 H 5.754 0.000 . 26 3 3 U H5' H 4.090 0.000 . 27 3 3 U H5'' H 4.260 0.000 . 28 3 3 U H6 H 7.610 0.000 . 29 4 4 U H1' H 5.955 0.000 . 30 4 4 U H2' H 4.330 0.000 . 31 4 4 U H3' H 4.670 0.000 . 32 4 4 U H4' H 4.380 0.000 . 33 4 4 U H5 H 5.830 0.000 . 34 4 4 U H5' H 4.090 0.000 . 35 4 4 U H5'' H 4.050 0.000 . 36 4 4 U H6 H 7.756 0.004 . 37 5 5 A H1' H 6.085 0.000 . 38 5 5 A H2 H 8.180 0.001 . 39 5 5 A H2' H 4.711 0.000 . 40 5 5 A H3' H 4.506 0.000 . 41 5 5 A H4' H 4.355 0.000 . 42 5 5 A H5' H 4.219 0.000 . 43 5 5 A H5'' H 4.184 0.000 . 44 5 5 A H8 H 8.390 0.004 . 45 5 5 A C1' C 87.39 0.000 . 46 5 5 A C4' C 87.38 0.000 . 47 5 5 A C5' C 65.11 0.000 . stop_ save_ save_CPEB4RRM12Complex_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D trHNCA' '3D trHN(CO)CA' '3D trCBCA(CO)NH' '3D trHNCACB' '3D trHNCO' '3D trHCACO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D hCCH TOCSY' '2D 1H-15N TROSY' '2D 13C F1-filtered F2-filtered NOESY' stop_ loop_ _Sample_label $sample_5 $sample_2 $sample_4 $sample_3 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CPEB4RRM12 _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 56 4 ASN HB2 H 3.106 0.001 . 2 56 4 ASN HB3 H 2.635 0.001 . 3 56 4 ASN CB C 35.468 0.032 . 4 58 6 GLU H H 8.395 0.003 . 5 58 6 GLU N N 120.363 0.000 . 6 59 7 ARG H H 8.325 0.000 . 7 59 7 ARG N N 122.663 0.000 . 8 60 8 VAL H H 8.178 0.000 . 9 60 8 VAL HA H 4.104 0.002 . 10 60 8 VAL HB H 1.974 0.003 . 11 60 8 VAL HG1 H 0.873 0.004 . 12 60 8 VAL CA C 58.633 0.000 . 13 60 8 VAL CB C 29.469 0.000 . 14 60 8 VAL CG1 C 17.426 0.000 . 15 60 8 VAL N N 123.499 0.000 . 16 61 9 GLU H H 8.409 0.002 . 17 61 9 GLU HA H 4.227 0.006 . 18 61 9 GLU HB2 H 1.916 0.001 . 19 61 9 GLU HB3 H 1.805 0.004 . 20 61 9 GLU HG2 H 2.275 0.010 . 21 61 9 GLU HG3 H 2.228 0.006 . 22 61 9 GLU CA C 53.560 0.000 . 23 61 9 GLU CB C 27.328 0.016 . 24 61 9 GLU CG C 32.986 0.000 . 25 61 9 GLU N N 125.053 0.000 . 26 62 10 ARG HB2 H 1.407 0.007 . 27 62 10 ARG HB3 H 1.407 0.007 . 28 62 10 ARG HG2 H 1.446 0.005 . 29 62 10 ARG HG3 H 1.159 0.001 . 30 62 10 ARG HD2 H 3.021 0.006 . 31 62 10 ARG HD3 H 3.021 0.006 . 32 62 10 ARG CB C 30.083 0.000 . 33 62 10 ARG CG C 23.679 0.000 . 34 62 10 ARG CD C 39.919 0.000 . 35 63 11 TYR H H 8.834 0.009 . 36 63 11 TYR HA H 5.614 0.003 . 37 63 11 TYR HB2 H 3.450 0.006 . 38 63 11 TYR HB3 H 2.415 0.006 . 39 63 11 TYR HD1 H 6.915 0.000 . 40 63 11 TYR HD2 H 6.915 0.000 . 41 63 11 TYR HE1 H 6.659 0.006 . 42 63 11 TYR HE2 H 6.659 0.006 . 43 63 11 TYR CA C 53.400 0.000 . 44 63 11 TYR CB C 39.590 0.023 . 45 63 11 TYR CD1 C 133.100 0.000 . 46 63 11 TYR CE1 C 117.694 0.000 . 47 63 11 TYR N N 119.617 0.000 . 48 64 12 SER H H 8.671 0.002 . 49 64 12 SER N N 111.147 0.000 . 50 65 13 ARG H H 8.962 0.007 . 51 65 13 ARG HA H 4.164 0.005 . 52 65 13 ARG HB2 H 2.540 0.002 . 53 65 13 ARG HB3 H 2.540 0.002 . 54 65 13 ARG HD2 H 3.338 0.000 . 55 65 13 ARG HD3 H 3.338 0.000 . 56 65 13 ARG CA C 56.006 0.000 . 57 65 13 ARG CB C 27.010 0.000 . 58 65 13 ARG CD C 40.500 0.000 . 59 65 13 ARG N N 126.377 0.000 . 60 66 14 LYS H H 8.277 0.004 . 61 66 14 LYS HA H 5.252 0.002 . 62 66 14 LYS CA C 51.494 0.000 . 63 66 14 LYS N N 120.363 0.000 . 64 67 15 VAL H H 9.393 0.005 . 65 67 15 VAL HA H 4.381 0.001 . 66 67 15 VAL HB H 1.933 0.001 . 67 67 15 VAL HG1 H 1.156 0.000 . 68 67 15 VAL HG2 H 0.807 0.000 . 69 67 15 VAL CA C 57.844 0.000 . 70 67 15 VAL CB C 32.834 0.000 . 71 67 15 VAL CG1 C 19.700 0.000 . 72 67 15 VAL CG2 C 18.856 0.000 . 73 67 15 VAL N N 127.169 0.000 . 74 68 16 PHE H H 7.479 0.006 . 75 68 16 PHE HB2 H 3.181 0.001 . 76 68 16 PHE HB3 H 3.181 0.001 . 77 68 16 PHE HD1 H 6.627 0.004 . 78 68 16 PHE HD2 H 6.627 0.004 . 79 68 16 PHE HE1 H 6.821 0.002 . 80 68 16 PHE HE2 H 6.821 0.002 . 81 68 16 PHE HZ H 6.812 0.002 . 82 68 16 PHE CB C 37.094 0.000 . 83 68 16 PHE CD2 C 131.031 0.000 . 84 68 16 PHE CE2 C 131.354 0.021 . 85 68 16 PHE CZ C 129.509 0.025 . 86 68 16 PHE N N 127.439 0.000 . 87 69 17 VAL H H 7.950 0.002 . 88 69 17 VAL HA H 5.053 0.007 . 89 69 17 VAL HB H 1.521 0.001 . 90 69 17 VAL HG1 H 0.518 0.003 . 91 69 17 VAL HG2 H 0.595 0.002 . 92 69 17 VAL CA C 56.056 0.000 . 93 69 17 VAL CB C 30.388 0.000 . 94 69 17 VAL CG1 C 17.861 0.000 . 95 69 17 VAL CG2 C 18.327 0.000 . 96 69 17 VAL N N 126.365 0.000 . 97 70 18 GLY H H 8.748 0.004 . 98 70 18 GLY N N 109.507 0.000 . 99 71 19 GLY H H 7.877 0.005 . 100 71 19 GLY HA2 H 4.297 0.000 . 101 71 19 GLY HA3 H 4.297 0.000 . 102 71 19 GLY CA C 42.756 0.000 . 103 71 19 GLY N N 110.130 0.000 . 104 72 20 LEU HA H 3.982 0.002 . 105 72 20 LEU HD1 H 0.419 0.002 . 106 72 20 LEU CA C 50.088 0.000 . 107 72 20 LEU CD1 C 23.514 0.000 . 108 73 21 PRO HD2 H 3.548 0.000 . 109 73 21 PRO HD3 H 3.237 0.002 . 110 73 21 PRO CD C 46.470 0.000 . 111 74 22 PRO HA H 4.334 0.005 . 112 74 22 PRO HD2 H 3.493 0.009 . 113 74 22 PRO HD3 H 3.493 0.009 . 114 74 22 PRO CA C 60.614 0.000 . 115 74 22 PRO CD C 47.181 0.000 . 116 75 23 ASP H H 8.300 0.001 . 117 75 23 ASP HA H 3.994 0.000 . 118 75 23 ASP HB2 H 2.792 0.002 . 119 75 23 ASP HB3 H 2.139 0.004 . 120 75 23 ASP CA C 48.860 0.000 . 121 75 23 ASP CB C 35.751 0.006 . 122 75 23 ASP N N 114.536 0.000 . 123 76 24 ILE H H 6.946 0.000 . 124 76 24 ILE HB H 1.321 0.002 . 125 76 24 ILE HG12 H 0.899 0.000 . 126 76 24 ILE HG13 H 0.899 0.000 . 127 76 24 ILE HD1 H 0.655 0.001 . 128 76 24 ILE CB C 38.025 0.000 . 129 76 24 ILE CG1 C 13.215 0.000 . 130 76 24 ILE CD1 C 10.930 0.000 . 131 76 24 ILE N N 118.839 0.000 . 132 77 25 ASP H H 8.119 0.000 . 133 77 25 ASP HA H 4.970 0.016 . 134 77 25 ASP HB2 H 2.780 0.010 . 135 77 25 ASP HB3 H 2.326 0.006 . 136 77 25 ASP CA C 48.440 0.000 . 137 77 25 ASP CB C 39.635 0.021 . 138 77 25 ASP N N 124.806 0.000 . 139 78 26 GLU H H 8.607 0.013 . 140 78 26 GLU HA H 3.865 0.003 . 141 78 26 GLU HB2 H 2.273 0.016 . 142 78 26 GLU HB3 H 2.140 0.035 . 143 78 26 GLU CA C 57.450 0.000 . 144 78 26 GLU CB C 29.787 2.669 . 145 78 26 GLU N N 117.942 0.000 . 146 79 27 ASP H H 8.580 0.005 . 147 79 27 ASP HA H 4.441 0.004 . 148 79 27 ASP HB2 H 2.850 0.007 . 149 79 27 ASP HB3 H 2.638 0.001 . 150 79 27 ASP CA C 54.640 0.000 . 151 79 27 ASP CB C 36.730 0.000 . 152 79 27 ASP N N 122.190 0.000 . 153 80 28 GLU H H 8.601 0.009 . 154 80 28 GLU HA H 4.251 0.004 . 155 80 28 GLU HB2 H 2.293 0.001 . 156 80 28 GLU HB3 H 2.124 0.003 . 157 80 28 GLU HG3 H 2.406 0.019 . 158 80 28 GLU CA C 55.610 0.000 . 159 80 28 GLU CB C 26.515 0.015 . 160 80 28 GLU CG C 33.189 0.000 . 161 80 28 GLU N N 123.463 0.000 . 162 81 29 ILE H H 8.857 0.002 . 163 81 29 ILE HA H 3.592 0.002 . 164 81 29 ILE HB H 1.938 0.006 . 165 81 29 ILE HG12 H 2.291 0.005 . 166 81 29 ILE HG13 H 2.053 0.010 . 167 81 29 ILE HD1 H 0.635 0.003 . 168 81 29 ILE CA C 63.689 0.000 . 169 81 29 ILE CB C 35.100 0.000 . 170 81 29 ILE CG1 C 26.492 0.000 . 171 81 29 ILE CD1 C 11.156 0.000 . 172 81 29 ILE N N 122.290 0.000 . 173 82 30 THR H H 8.528 0.007 . 174 82 30 THR HA H 3.669 0.000 . 175 82 30 THR HB H 4.423 0.001 . 176 82 30 THR HG2 H 1.258 0.002 . 177 82 30 THR CA C 65.000 0.000 . 178 82 30 THR CB C 65.353 0.000 . 179 82 30 THR CG2 C 18.272 0.000 . 180 82 30 THR N N 116.051 0.000 . 181 83 31 ALA H H 8.349 0.000 . 182 83 31 ALA HA H 4.019 0.000 . 183 83 31 ALA HB H 1.505 0.001 . 184 83 31 ALA CA C 51.995 0.000 . 185 83 31 ALA CB C 15.133 0.000 . 186 83 31 ALA N N 121.471 0.000 . 187 84 32 SER H H 7.833 0.002 . 188 84 32 SER HA H 4.223 0.000 . 189 84 32 SER HB2 H 3.995 0.004 . 190 84 32 SER HB3 H 3.387 0.002 . 191 84 32 SER CA C 58.724 0.000 . 192 84 32 SER CB C 60.389 0.001 . 193 84 32 SER N N 113.400 0.000 . 194 85 33 PHE H H 7.496 0.004 . 195 85 33 PHE HA H 4.963 0.001 . 196 85 33 PHE HB2 H 3.582 0.000 . 197 85 33 PHE HB3 H 2.893 0.006 . 198 85 33 PHE HD1 H 7.592 0.004 . 199 85 33 PHE HD2 H 7.592 0.004 . 200 85 33 PHE HE1 H 7.039 0.001 . 201 85 33 PHE HE2 H 7.039 0.001 . 202 85 33 PHE HZ H 6.863 0.001 . 203 85 33 PHE CA C 55.880 0.000 . 204 85 33 PHE CB C 38.832 0.012 . 205 85 33 PHE CD1 C 132.885 0.000 . 206 85 33 PHE CE1 C 130.605 0.000 . 207 85 33 PHE CZ C 128.539 0.000 . 208 85 33 PHE N N 114.599 0.000 . 209 86 34 ARG H H 8.271 0.000 . 210 86 34 ARG HB2 H 1.996 0.000 . 211 86 34 ARG HB3 H 1.996 0.000 . 212 86 34 ARG HG2 H 1.966 0.000 . 213 86 34 ARG HG3 H 1.935 0.002 . 214 86 34 ARG HD2 H 3.371 0.004 . 215 86 34 ARG HD3 H 3.371 0.004 . 216 86 34 ARG CB C 25.880 0.000 . 217 86 34 ARG CG C 23.964 0.000 . 218 86 34 ARG CD C 39.956 0.000 . 219 86 34 ARG N N 121.909 0.000 . 220 87 35 ARG H H 7.910 0.000 . 221 87 35 ARG HA H 4.050 0.001 . 222 87 35 ARG HB2 H 1.529 0.002 . 223 87 35 ARG HB3 H 1.529 0.002 . 224 87 35 ARG HG2 H 0.738 0.005 . 225 87 35 ARG HG3 H 0.006 0.002 . 226 87 35 ARG HD2 H 2.792 0.002 . 227 87 35 ARG HD3 H 2.792 0.002 . 228 87 35 ARG CA C 54.220 0.000 . 229 87 35 ARG CB C 25.306 0.000 . 230 87 35 ARG CG C 21.362 0.015 . 231 87 35 ARG CD C 40.438 0.000 . 232 87 35 ARG N N 117.880 0.000 . 233 88 36 PHE H H 7.683 0.001 . 234 88 36 PHE HA H 4.562 0.018 . 235 88 36 PHE HB2 H 3.534 0.007 . 236 88 36 PHE HB3 H 3.086 0.007 . 237 88 36 PHE HE1 H 7.523 0.002 . 238 88 36 PHE HE2 H 7.523 0.002 . 239 88 36 PHE HZ H 7.116 0.001 . 240 88 36 PHE CA C 55.800 0.000 . 241 88 36 PHE CB C 35.200 0.030 . 242 88 36 PHE CE2 C 131.355 0.000 . 243 88 36 PHE CZ C 129.100 0.000 . 244 88 36 PHE N N 118.900 0.000 . 245 89 37 GLY H H 7.753 0.002 . 246 89 37 GLY HA2 H 3.978 0.001 . 247 89 37 GLY HA3 H 3.978 0.001 . 248 89 37 GLY CA C 41.556 0.000 . 249 89 37 GLY N N 110.827 0.000 . 250 90 38 PRO HA H 4.343 0.005 . 251 90 38 PRO HB2 H 2.319 0.001 . 252 90 38 PRO HB3 H 1.837 0.002 . 253 90 38 PRO HG2 H 2.086 0.006 . 254 90 38 PRO HG3 H 2.001 0.001 . 255 90 38 PRO HD2 H 3.775 0.003 . 256 90 38 PRO HD3 H 3.616 0.003 . 257 90 38 PRO CA C 60.550 0.000 . 258 90 38 PRO CB C 29.152 0.000 . 259 90 38 PRO CG C 25.000 0.000 . 260 90 38 PRO CD C 46.312 0.000 . 261 91 39 LEU H H 8.126 0.004 . 262 91 39 LEU HA H 5.067 0.004 . 263 91 39 LEU HB2 H 1.425 0.000 . 264 91 39 LEU HB3 H 1.425 0.000 . 265 91 39 LEU HD1 H 1.072 0.000 . 266 91 39 LEU CA C 52.156 0.000 . 267 91 39 LEU CB C 40.629 0.000 . 268 91 39 LEU CD1 C 22.260 0.000 . 269 91 39 LEU N N 121.283 0.000 . 270 92 40 ILE H H 7.710 0.001 . 271 92 40 ILE HA H 4.364 0.002 . 272 92 40 ILE HB H 1.736 0.001 . 273 92 40 ILE HG12 H 1.321 0.004 . 274 92 40 ILE HG13 H 1.060 0.003 . 275 92 40 ILE HG2 H 0.845 0.001 . 276 92 40 ILE HD1 H 0.772 0.001 . 277 92 40 ILE CA C 56.826 0.000 . 278 92 40 ILE CB C 38.677 0.000 . 279 92 40 ILE CG1 C 24.239 0.038 . 280 92 40 ILE CG2 C 14.749 0.000 . 281 92 40 ILE CD1 C 10.316 0.000 . 282 92 40 ILE N N 116.247 0.000 . 283 93 41 VAL H H 8.546 0.000 . 284 93 41 VAL HB H 1.889 0.007 . 285 93 41 VAL HG1 H 0.839 0.006 . 286 93 41 VAL HG2 H 0.965 0.001 . 287 93 41 VAL CB C 30.370 0.000 . 288 93 41 VAL CG1 C 19.400 0.000 . 289 93 41 VAL CG2 C 18.931 0.000 . 290 93 41 VAL N N 123.750 0.000 . 291 94 42 ASP H H 9.225 0.001 . 292 94 42 ASP HB2 H 2.343 0.004 . 293 94 42 ASP HB3 H 2.244 0.003 . 294 94 42 ASP CB C 43.406 0.000 . 295 94 42 ASP N N 125.735 0.000 . 296 95 43 TRP H H 7.707 0.002 . 297 95 43 TRP HD1 H 7.146 0.005 . 298 95 43 TRP HE1 H 10.304 0.002 . 299 95 43 TRP HE3 H 7.140 0.018 . 300 95 43 TRP HZ2 H 7.156 0.003 . 301 95 43 TRP HZ3 H 6.527 0.003 . 302 95 43 TRP HH2 H 6.869 0.009 . 303 95 43 TRP CD1 C 128.200 0.000 . 304 95 43 TRP CE3 C 119.754 0.000 . 305 95 43 TRP CZ2 C 115.409 0.000 . 306 95 43 TRP CZ3 C 120.400 0.000 . 307 95 43 TRP CH2 C 123.300 0.000 . 308 95 43 TRP N N 117.467 0.000 . 309 95 43 TRP NE1 N 131.239 0.000 . 310 97 45 HIS HD2 H 6.839 0.002 . 311 97 45 HIS HE1 H 7.884 0.000 . 312 97 45 HIS CD2 C 120.500 0.000 . 313 97 45 HIS CE1 C 138.177 0.000 . 314 98 46 LYS H H 7.822 0.002 . 315 98 46 LYS HA H 3.705 0.003 . 316 98 46 LYS HD2 H 1.011 0.002 . 317 98 46 LYS HD3 H 1.011 0.002 . 318 98 46 LYS HE2 H 2.270 0.003 . 319 98 46 LYS HE3 H 2.116 0.003 . 320 98 46 LYS CA C 57.056 0.000 . 321 98 46 LYS CD C 26.440 0.000 . 322 98 46 LYS CE C 38.716 0.002 . 323 98 46 LYS N N 123.557 0.000 . 324 99 47 ALA HA H 4.117 0.005 . 325 99 47 ALA HB H 1.364 0.001 . 326 99 47 ALA CA C 50.970 0.000 . 327 99 47 ALA CB C 15.188 0.000 . 328 100 48 GLU H H 8.119 0.004 . 329 100 48 GLU HA H 4.198 0.001 . 330 100 48 GLU CA C 54.314 0.000 . 331 100 48 GLU N N 116.700 0.000 . 332 104 52 TYR H H 8.486 0.004 . 333 104 52 TYR HD1 H 7.078 0.000 . 334 104 52 TYR HD2 H 7.078 0.000 . 335 104 52 TYR HE1 H 6.822 0.001 . 336 104 52 TYR HE2 H 6.822 0.001 . 337 104 52 TYR CD2 C 132.952 0.000 . 338 104 52 TYR CE2 C 118.534 0.000 . 339 104 52 TYR N N 122.500 0.000 . 340 105 53 PHE H H 7.588 0.001 . 341 105 53 PHE HA H 5.030 0.000 . 342 105 53 PHE HB2 H 2.943 0.003 . 343 105 53 PHE HB3 H 2.546 0.004 . 344 105 53 PHE HD1 H 7.077 0.009 . 345 105 53 PHE HD2 H 7.077 0.009 . 346 105 53 PHE HE1 H 7.286 0.002 . 347 105 53 PHE HE2 H 7.286 0.002 . 348 105 53 PHE HZ H 7.325 0.006 . 349 105 53 PHE CA C 50.300 0.000 . 350 105 53 PHE CB C 37.016 0.000 . 351 105 53 PHE CD1 C 132.531 0.000 . 352 105 53 PHE CE1 C 131.066 0.000 . 353 105 53 PHE CZ C 129.566 0.000 . 354 105 53 PHE N N 118.022 0.000 . 355 106 54 PRO HD2 H 3.515 0.003 . 356 106 54 PRO HD3 H 3.048 0.007 . 357 106 54 PRO CD C 46.596 0.000 . 358 108 56 LYS H H 8.111 0.001 . 359 108 56 LYS N N 117.363 0.000 . 360 110 58 TYR H H 7.051 0.001 . 361 110 58 TYR HA H 5.311 0.004 . 362 110 58 TYR HD1 H 6.554 0.002 . 363 110 58 TYR HD2 H 6.554 0.002 . 364 110 58 TYR HE1 H 6.691 0.000 . 365 110 58 TYR HE2 H 6.691 0.000 . 366 110 58 TYR CA C 51.644 0.000 . 367 110 58 TYR CD1 C 134.400 0.000 . 368 110 58 TYR CE1 C 118.500 0.000 . 369 110 58 TYR N N 115.171 0.000 . 370 111 59 ALA H H 8.436 0.001 . 371 111 59 ALA HA H 4.326 0.003 . 372 111 59 ALA HB H 1.149 0.007 . 373 111 59 ALA CA C 47.220 0.000 . 374 111 59 ALA CB C 19.236 0.000 . 375 111 59 ALA N N 118.700 0.000 . 376 112 60 PHE H H 9.209 0.007 . 377 112 60 PHE HA H 5.427 0.004 . 378 112 60 PHE HB2 H 2.564 0.005 . 379 112 60 PHE HB3 H 2.564 0.005 . 380 112 60 PHE HD1 H 6.915 0.000 . 381 112 60 PHE HD2 H 6.915 0.000 . 382 112 60 PHE HE1 H 7.434 0.004 . 383 112 60 PHE HE2 H 7.434 0.004 . 384 112 60 PHE HZ H 7.448 0.005 . 385 112 60 PHE CA C 52.500 0.000 . 386 112 60 PHE CB C 38.500 0.000 . 387 112 60 PHE CD1 C 131.969 0.000 . 388 112 60 PHE CE1 C 131.438 0.304 . 389 112 60 PHE CZ C 130.800 0.000 . 390 112 60 PHE N N 114.117 0.000 . 391 113 61 LEU H H 9.245 0.001 . 392 113 61 LEU HA H 4.370 0.001 . 393 113 61 LEU HB2 H 1.517 0.001 . 394 113 61 LEU HB3 H 1.517 0.001 . 395 113 61 LEU HG H 0.444 0.002 . 396 113 61 LEU HD1 H -0.279 0.002 . 397 113 61 LEU HD2 H 0.083 0.001 . 398 113 61 LEU CA C 49.200 0.000 . 399 113 61 LEU CB C 38.310 0.000 . 400 113 61 LEU CG C 26.422 0.000 . 401 113 61 LEU CD1 C 21.589 0.000 . 402 113 61 LEU CD2 C 18.202 0.000 . 403 113 61 LEU N N 120.873 0.000 . 404 114 62 LEU H H 8.883 0.005 . 405 114 62 LEU HB2 H 1.607 0.001 . 406 114 62 LEU HB3 H 1.194 0.001 . 407 114 62 LEU HG H 1.319 0.003 . 408 114 62 LEU HD1 H 0.688 0.006 . 409 114 62 LEU CB C 37.230 0.000 . 410 114 62 LEU CG C 24.656 0.000 . 411 114 62 LEU CD1 C 22.106 0.000 . 412 114 62 LEU N N 124.400 0.000 . 413 115 63 PHE H H 8.607 0.001 . 414 115 63 PHE HA H 5.162 0.000 . 415 115 63 PHE HB2 H 3.445 0.005 . 416 115 63 PHE HB3 H 3.445 0.005 . 417 115 63 PHE HD1 H 7.256 0.002 . 418 115 63 PHE HD2 H 7.256 0.002 . 419 115 63 PHE CA C 56.500 0.000 . 420 115 63 PHE CB C 36.456 0.000 . 421 115 63 PHE CD1 C 132.700 0.000 . 422 115 63 PHE N N 124.600 0.000 . 423 116 64 GLN H H 8.183 0.001 . 424 116 64 GLN HA H 3.997 0.002 . 425 116 64 GLN HB2 H 2.078 0.001 . 426 116 64 GLN HB3 H 2.021 0.000 . 427 116 64 GLN HG2 H 2.336 0.000 . 428 116 64 GLN HG3 H 2.336 0.000 . 429 116 64 GLN CA C 55.601 0.000 . 430 116 64 GLN CB C 26.912 0.000 . 431 116 64 GLN CG C 31.176 0.000 . 432 116 64 GLN N N 121.736 0.000 . 433 117 65 ASP H H 8.982 0.002 . 434 117 65 ASP HA H 5.042 0.002 . 435 117 65 ASP HB2 H 2.885 0.001 . 436 117 65 ASP HB3 H 2.631 0.003 . 437 117 65 ASP CA C 49.600 0.000 . 438 117 65 ASP CB C 41.779 0.011 . 439 117 65 ASP N N 117.409 0.000 . 440 118 66 GLU H H 9.323 0.001 . 441 118 66 GLU HA H 3.825 0.003 . 442 118 66 GLU HG2 H 2.827 0.004 . 443 118 66 GLU HG3 H 2.537 0.004 . 444 118 66 GLU CA C 57.140 0.000 . 445 118 66 GLU CG C 33.233 0.054 . 446 118 66 GLU N N 125.844 0.000 . 447 119 67 SER H H 8.950 0.004 . 448 119 67 SER HB2 H 3.408 0.014 . 449 119 67 SER HB3 H 2.927 0.000 . 450 119 67 SER CB C 60.690 0.000 . 451 119 67 SER N N 115.927 0.000 . 452 120 68 SER H H 7.714 0.002 . 453 120 68 SER HA H 4.149 0.000 . 454 120 68 SER HB2 H 2.931 0.003 . 455 120 68 SER HB3 H 2.893 0.003 . 456 120 68 SER CA C 58.700 0.000 . 457 120 68 SER CB C 60.644 0.000 . 458 120 68 SER N N 119.663 0.000 . 459 121 69 VAL H H 7.434 0.000 . 460 121 69 VAL HA H 4.155 0.003 . 461 121 69 VAL HB H 2.128 0.001 . 462 121 69 VAL HG1 H 1.071 0.004 . 463 121 69 VAL HG2 H 0.522 0.009 . 464 121 69 VAL CA C 58.606 0.000 . 465 121 69 VAL CB C 27.800 0.000 . 466 121 69 VAL CG1 C 19.450 0.000 . 467 121 69 VAL CG2 C 18.056 0.000 . 468 121 69 VAL N N 120.000 0.000 . 469 122 70 GLN H H 7.202 0.006 . 470 122 70 GLN HA H 3.693 0.000 . 471 122 70 GLN HB2 H 2.241 0.001 . 472 122 70 GLN HB3 H 2.154 0.002 . 473 122 70 GLN HG2 H 2.450 0.001 . 474 122 70 GLN HG3 H 2.370 0.011 . 475 122 70 GLN HE21 H 8.262 0.001 . 476 122 70 GLN HE22 H 7.019 0.002 . 477 122 70 GLN CA C 55.360 0.000 . 478 122 70 GLN CB C 25.100 0.000 . 479 122 70 GLN CG C 30.700 0.000 . 480 122 70 GLN N N 117.037 0.000 . 481 122 70 GLN NE2 N 117.150 0.035 . 482 123 71 ALA H H 7.235 0.004 . 483 123 71 ALA HA H 4.127 0.002 . 484 123 71 ALA HB H 1.685 0.002 . 485 123 71 ALA CA C 51.920 0.000 . 486 123 71 ALA CB C 15.072 0.000 . 487 123 71 ALA N N 120.136 0.000 . 488 124 72 LEU H H 7.532 0.002 . 489 124 72 LEU HA H 2.672 0.005 . 490 124 72 LEU HB2 H 1.785 0.004 . 491 124 72 LEU HB3 H 0.664 0.002 . 492 124 72 LEU HG H 1.184 0.002 . 493 124 72 LEU HD1 H 0.780 0.004 . 494 124 72 LEU HD2 H 0.667 0.001 . 495 124 72 LEU CA C 54.105 0.000 . 496 124 72 LEU CB C 37.712 0.000 . 497 124 72 LEU CG C 22.885 0.000 . 498 124 72 LEU CD1 C 24.279 0.000 . 499 124 72 LEU CD2 C 21.416 0.000 . 500 124 72 LEU N N 120.600 0.000 . 501 125 73 ILE H H 8.089 0.010 . 502 125 73 ILE HA H 3.446 0.006 . 503 125 73 ILE HB H 1.696 0.005 . 504 125 73 ILE HG12 H 1.297 0.001 . 505 125 73 ILE HG13 H 1.297 0.001 . 506 125 73 ILE HG2 H 0.784 0.002 . 507 125 73 ILE HD1 H 0.099 0.002 . 508 125 73 ILE CA C 62.644 0.000 . 509 125 73 ILE CB C 34.600 0.000 . 510 125 73 ILE CG1 C 25.431 0.000 . 511 125 73 ILE CG2 C 13.620 0.000 . 512 125 73 ILE CD1 C 10.551 0.000 . 513 125 73 ILE N N 120.369 0.000 . 514 126 74 ASP H H 8.172 0.001 . 515 126 74 ASP HA H 4.359 0.001 . 516 126 74 ASP HB2 H 2.785 0.005 . 517 126 74 ASP HB3 H 2.696 0.003 . 518 126 74 ASP CA C 53.444 0.000 . 519 126 74 ASP CB C 37.500 0.000 . 520 126 74 ASP N N 118.733 0.000 . 521 127 75 ALA H H 7.514 0.000 . 522 127 75 ALA HA H 4.473 0.004 . 523 127 75 ALA HB H 1.740 0.002 . 524 127 75 ALA CA C 49.200 0.000 . 525 127 75 ALA CB C 17.602 0.000 . 526 127 75 ALA N N 120.815 0.000 . 527 128 76 CYS H H 7.384 0.004 . 528 128 76 CYS HA H 4.559 0.000 . 529 128 76 CYS HB2 H 3.186 0.001 . 530 128 76 CYS HB3 H 2.689 0.009 . 531 128 76 CYS CA C 58.550 0.000 . 532 128 76 CYS CB C 26.751 0.000 . 533 128 76 CYS N N 116.900 0.000 . 534 129 77 ILE H H 9.127 0.008 . 535 129 77 ILE HA H 4.309 0.000 . 536 129 77 ILE HB H 1.861 0.001 . 537 129 77 ILE HG12 H 1.684 0.001 . 538 129 77 ILE HG13 H 1.265 0.003 . 539 129 77 ILE HG2 H 0.967 0.001 . 540 129 77 ILE HD1 H 0.889 0.000 . 541 129 77 ILE CA C 57.200 0.000 . 542 129 77 ILE CB C 36.637 0.000 . 543 129 77 ILE CG1 C 24.720 0.000 . 544 129 77 ILE CG2 C 14.919 0.000 . 545 129 77 ILE CD1 C 10.370 0.000 . 546 129 77 ILE N N 121.600 0.000 . 547 130 78 GLU H H 8.508 0.001 . 548 130 78 GLU HA H 5.464 0.003 . 549 130 78 GLU HB2 H 2.034 0.003 . 550 130 78 GLU HB3 H 1.767 0.014 . 551 130 78 GLU CA C 51.462 0.000 . 552 130 78 GLU CB C 28.314 0.000 . 553 130 78 GLU N N 127.148 0.000 . 554 131 79 GLU H H 9.245 0.002 . 555 131 79 GLU HA H 4.571 0.001 . 556 131 79 GLU HB2 H 2.015 0.002 . 557 131 79 GLU HB3 H 1.923 0.002 . 558 131 79 GLU HG2 H 2.114 0.004 . 559 131 79 GLU HG3 H 1.952 0.002 . 560 131 79 GLU CA C 52.800 0.000 . 561 131 79 GLU CB C 29.552 0.004 . 562 131 79 GLU CG C 33.244 0.000 . 563 131 79 GLU N N 127.311 0.000 . 564 132 80 ASP HA H 4.324 0.000 . 565 132 80 ASP HB2 H 3.022 0.002 . 566 132 80 ASP HB3 H 2.578 0.002 . 567 132 80 ASP CA C 52.216 0.000 . 568 132 80 ASP CB C 36.975 0.030 . 569 133 81 GLY H H 8.909 0.001 . 570 133 81 GLY HA2 H 4.104 0.003 . 571 133 81 GLY HA3 H 3.681 0.001 . 572 133 81 GLY CA C 42.443 0.008 . 573 133 81 GLY N N 104.248 0.000 . 574 134 82 LYS H H 7.931 0.000 . 575 134 82 LYS HA H 4.450 0.006 . 576 134 82 LYS HD2 H 1.704 0.001 . 577 134 82 LYS HD3 H 1.704 0.001 . 578 134 82 LYS HE2 H 3.080 0.003 . 579 134 82 LYS HE3 H 3.080 0.003 . 580 134 82 LYS CA C 51.844 0.000 . 581 134 82 LYS CD C 26.094 0.000 . 582 134 82 LYS CE C 39.138 0.000 . 583 134 82 LYS N N 122.392 0.000 . 584 135 83 LEU H H 8.178 0.004 . 585 135 83 LEU HA H 5.127 0.002 . 586 135 83 LEU HB2 H 2.373 0.014 . 587 135 83 LEU HB3 H 1.236 0.002 . 588 135 83 LEU HD1 H 0.814 0.000 . 589 135 83 LEU CA C 50.294 0.000 . 590 135 83 LEU CB C 40.538 0.001 . 591 135 83 LEU CD1 C 23.035 0.000 . 592 135 83 LEU N N 121.990 0.000 . 593 136 84 TYR H H 9.047 0.005 . 594 136 84 TYR HA H 5.830 0.004 . 595 136 84 TYR HB2 H 2.628 0.002 . 596 136 84 TYR HB3 H 2.628 0.002 . 597 136 84 TYR HD1 H 6.809 0.003 . 598 136 84 TYR HD2 H 6.809 0.003 . 599 136 84 TYR HE1 H 6.800 0.001 . 600 136 84 TYR HE2 H 6.800 0.001 . 601 136 84 TYR CA C 53.600 0.000 . 602 136 84 TYR CB C 40.320 0.000 . 603 136 84 TYR CD1 C 133.361 0.000 . 604 136 84 TYR CE1 C 117.966 0.000 . 605 136 84 TYR N N 117.324 0.000 . 606 137 85 LEU H H 8.794 0.002 . 607 137 85 LEU HB2 H 1.725 0.002 . 608 137 85 LEU HB3 H 1.637 0.000 . 609 137 85 LEU HD2 H 0.921 0.105 . 610 137 85 LEU CB C 43.737 0.000 . 611 137 85 LEU CD2 C 22.750 0.850 . 612 137 85 LEU N N 122.045 0.000 . 613 138 86 CYS H H 8.407 0.002 . 614 138 86 CYS HA H 5.147 0.001 . 615 138 86 CYS HB2 H 2.723 0.004 . 616 138 86 CYS HB3 H 2.325 0.001 . 617 138 86 CYS CA C 56.522 0.000 . 618 138 86 CYS CB C 25.346 0.024 . 619 138 86 CYS N N 121.348 0.000 . 620 139 87 VAL H H 8.569 0.001 . 621 139 87 VAL HA H 4.510 0.001 . 622 139 87 VAL HG1 H 0.724 0.002 . 623 139 87 VAL CA C 56.660 0.000 . 624 139 87 VAL CG1 C 16.860 0.000 . 625 139 87 VAL N N 117.725 0.000 . 626 140 88 SER H H 8.381 0.001 . 627 140 88 SER HA H 5.462 0.001 . 628 140 88 SER HB2 H 3.964 0.009 . 629 140 88 SER HB3 H 3.661 0.004 . 630 140 88 SER CA C 54.160 0.000 . 631 140 88 SER CB C 63.074 0.000 . 632 140 88 SER N N 115.876 0.000 . 633 141 89 SER H H 9.421 0.001 . 634 141 89 SER N N 122.830 0.000 . 635 142 90 PRO HA H 4.274 0.002 . 636 142 90 PRO HD2 H 3.936 0.004 . 637 142 90 PRO HD3 H 3.936 0.004 . 638 142 90 PRO CA C 62.400 0.000 . 639 142 90 PRO CD C 48.000 0.000 . 640 143 91 THR H H 7.621 0.012 . 641 143 91 THR HA H 4.402 0.000 . 642 143 91 THR HB H 4.095 0.003 . 643 143 91 THR HG2 H 1.118 0.002 . 644 143 91 THR CA C 58.600 0.000 . 645 143 91 THR CB C 67.656 0.000 . 646 143 91 THR CG2 C 18.530 0.000 . 647 143 91 THR N N 103.085 0.000 . 648 144 92 ILE H H 7.588 0.004 . 649 144 92 ILE HA H 4.304 0.004 . 650 144 92 ILE HB H 1.839 0.001 . 651 144 92 ILE HG2 H 0.875 0.001 . 652 144 92 ILE HD1 H 0.778 0.001 . 653 144 92 ILE CA C 57.040 0.000 . 654 144 92 ILE CB C 36.000 0.000 . 655 144 92 ILE CG2 C 15.600 0.000 . 656 144 92 ILE CD1 C 9.800 0.000 . 657 144 92 ILE N N 125.180 0.000 . 658 145 93 LYS H H 8.381 0.000 . 659 145 93 LYS HA H 4.526 0.000 . 660 145 93 LYS HB2 H 1.691 0.001 . 661 145 93 LYS HB3 H 1.691 0.001 . 662 145 93 LYS HG2 H 1.371 0.003 . 663 145 93 LYS HG3 H 1.289 0.010 . 664 145 93 LYS HD2 H 1.585 0.001 . 665 145 93 LYS HD3 H 1.585 0.001 . 666 145 93 LYS CA C 51.000 0.000 . 667 145 93 LYS CB C 29.939 0.000 . 668 145 93 LYS CG C 21.400 0.000 . 669 145 93 LYS CD C 25.437 0.000 . 670 145 93 LYS N N 125.600 0.000 . 671 146 94 ASP H H 8.848 0.001 . 672 146 94 ASP HA H 3.844 0.001 . 673 146 94 ASP HB2 H 2.633 0.003 . 674 146 94 ASP HB3 H 2.633 0.003 . 675 146 94 ASP CA C 52.156 0.000 . 676 146 94 ASP CB C 36.184 0.000 . 677 146 94 ASP N N 123.190 0.000 . 678 147 95 LYS H H 8.767 0.001 . 679 147 95 LYS N N 122.837 0.000 . 680 148 96 PRO HB2 H 1.938 0.003 . 681 148 96 PRO HB3 H 1.762 0.005 . 682 148 96 PRO CB C 28.212 0.000 . 683 149 97 VAL H H 9.184 0.000 . 684 149 97 VAL HA H 5.130 0.001 . 685 149 97 VAL HB H 2.193 0.006 . 686 149 97 VAL HG2 H 0.981 0.001 . 687 149 97 VAL CA C 56.522 0.000 . 688 149 97 VAL CB C 29.926 0.000 . 689 149 97 VAL CG2 C 17.172 0.000 . 690 149 97 VAL N N 124.051 0.000 . 691 150 98 GLN H H 8.712 0.004 . 692 150 98 GLN HB2 H 1.703 0.002 . 693 150 98 GLN HB3 H 1.703 0.002 . 694 150 98 GLN HG2 H 2.008 0.003 . 695 150 98 GLN HG3 H 1.366 0.003 . 696 150 98 GLN HE21 H 7.615 0.000 . 697 150 98 GLN HE22 H 7.089 0.001 . 698 150 98 GLN CB C 26.000 0.000 . 699 150 98 GLN CG C 32.316 0.000 . 700 150 98 GLN N N 124.542 0.000 . 701 150 98 GLN NE2 N 110.076 0.024 . 702 151 99 ILE H H 8.605 0.005 . 703 151 99 ILE HB H 1.938 0.005 . 704 151 99 ILE HG12 H 1.842 0.002 . 705 151 99 ILE HG13 H 1.639 0.004 . 706 151 99 ILE HG2 H 0.609 0.014 . 707 151 99 ILE HD1 H 0.800 0.000 . 708 151 99 ILE CB C 34.800 0.000 . 709 151 99 ILE CG1 C 25.688 0.000 . 710 151 99 ILE CG2 C 14.474 0.000 . 711 151 99 ILE CD1 C 8.600 0.000 . 712 151 99 ILE N N 128.463 0.000 . 713 152 100 ARG H H 9.426 0.002 . 714 152 100 ARG HA H 5.306 0.002 . 715 152 100 ARG HD2 H 3.266 0.000 . 716 152 100 ARG HD3 H 3.266 0.000 . 717 152 100 ARG CA C 49.760 0.000 . 718 152 100 ARG CD C 40.969 0.000 . 719 152 100 ARG N N 125.470 0.000 . 720 153 101 PRO HA H 5.169 0.001 . 721 153 101 PRO HB2 H 1.820 0.008 . 722 153 101 PRO HB3 H 1.820 0.008 . 723 153 101 PRO HG2 H 1.868 0.011 . 724 153 101 PRO HG3 H 1.449 0.005 . 725 153 101 PRO HD2 H 3.952 0.001 . 726 153 101 PRO HD3 H 3.585 0.002 . 727 153 101 PRO CA C 58.800 0.000 . 728 153 101 PRO CB C 30.312 0.000 . 729 153 101 PRO CG C 22.847 0.013 . 730 153 101 PRO CD C 47.894 0.000 . 731 154 102 TRP H H 10.817 0.005 . 732 154 102 TRP HA H 5.136 0.003 . 733 154 102 TRP HD1 H 7.125 0.002 . 734 154 102 TRP HE1 H 10.024 0.003 . 735 154 102 TRP HZ2 H 6.702 0.001 . 736 154 102 TRP HZ3 H 6.724 0.004 . 737 154 102 TRP HH2 H 7.629 0.003 . 738 154 102 TRP CA C 53.100 0.000 . 739 154 102 TRP CD1 C 127.034 0.000 . 740 154 102 TRP CZ2 C 113.498 0.000 . 741 154 102 TRP CZ3 C 122.200 0.000 . 742 154 102 TRP CH2 C 120.684 0.000 . 743 154 102 TRP N N 124.495 0.000 . 744 154 102 TRP NE1 N 129.770 0.000 . 745 155 103 ASN H H 8.287 0.007 . 746 155 103 ASN HA H 4.526 0.000 . 747 155 103 ASN HB2 H 2.660 0.004 . 748 155 103 ASN HB3 H 2.375 0.005 . 749 155 103 ASN HD21 H 7.142 0.001 . 750 155 103 ASN HD22 H 6.835 0.003 . 751 155 103 ASN CA C 49.280 0.000 . 752 155 103 ASN CB C 35.330 0.000 . 753 155 103 ASN N N 128.500 0.000 . 754 155 103 ASN ND2 N 112.373 0.002 . 755 156 104 LEU H H 8.416 0.001 . 756 156 104 LEU HA H 4.241 0.003 . 757 156 104 LEU HB2 H 1.556 0.005 . 758 156 104 LEU HB3 H 1.556 0.005 . 759 156 104 LEU HD1 H 1.104 0.002 . 760 156 104 LEU HD2 H 0.783 0.002 . 761 156 104 LEU CA C 53.940 0.000 . 762 156 104 LEU CB C 38.056 0.000 . 763 156 104 LEU CD1 C 20.516 0.000 . 764 156 104 LEU CD2 C 22.500 0.000 . 765 156 104 LEU N N 124.100 0.000 . 766 157 105 SER H H 8.655 0.001 . 767 157 105 SER HA H 4.323 0.005 . 768 157 105 SER HB2 H 3.915 0.001 . 769 157 105 SER HB3 H 3.846 0.002 . 770 157 105 SER CA C 57.180 0.000 . 771 157 105 SER CB C 59.800 0.000 . 772 157 105 SER N N 112.800 0.000 . 773 158 106 ASP H H 7.825 0.005 . 774 158 106 ASP HA H 4.976 0.000 . 775 158 106 ASP HB2 H 2.284 0.001 . 776 158 106 ASP HB3 H 1.882 0.001 . 777 158 106 ASP CA C 52.200 0.000 . 778 158 106 ASP CB C 37.330 0.000 . 779 158 106 ASP N N 119.308 0.000 . 780 159 107 SER H H 7.715 0.000 . 781 159 107 SER HA H 4.532 0.013 . 782 159 107 SER HB2 H 4.351 0.012 . 783 159 107 SER HB3 H 4.271 0.005 . 784 159 107 SER CA C 57.400 0.000 . 785 159 107 SER CB C 61.000 0.000 . 786 159 107 SER N N 111.663 0.000 . 787 160 108 ASP H H 7.428 0.000 . 788 160 108 ASP HA H 5.342 0.006 . 789 160 108 ASP HB2 H 2.672 0.005 . 790 160 108 ASP HB3 H 2.566 0.005 . 791 160 108 ASP CA C 51.400 0.000 . 792 160 108 ASP CB C 43.560 0.000 . 793 160 108 ASP N N 118.997 0.000 . 794 161 109 PHE H H 8.805 0.001 . 795 161 109 PHE HB2 H 2.351 0.008 . 796 161 109 PHE HB3 H 2.351 0.008 . 797 161 109 PHE HD1 H 6.954 0.008 . 798 161 109 PHE HD2 H 6.954 0.008 . 799 161 109 PHE CB C 38.388 0.000 . 800 161 109 PHE CD1 C 131.091 0.000 . 801 161 109 PHE N N 120.784 0.000 . 802 162 110 VAL H H 8.126 0.001 . 803 162 110 VAL HA H 3.926 0.001 . 804 162 110 VAL HB H 1.805 0.001 . 805 162 110 VAL HG1 H 0.964 0.003 . 806 162 110 VAL HG2 H 0.745 0.003 . 807 162 110 VAL CA C 58.800 0.000 . 808 162 110 VAL CB C 28.600 0.000 . 809 162 110 VAL CG1 C 17.950 0.000 . 810 162 110 VAL CG2 C 17.550 0.000 . 811 162 110 VAL N N 128.592 0.000 . 812 163 111 MET H H 7.323 0.004 . 813 163 111 MET HA H 3.923 0.003 . 814 163 111 MET HB2 H 1.712 0.000 . 815 163 111 MET HB3 H 1.518 0.002 . 816 163 111 MET HG2 H 2.518 0.000 . 817 163 111 MET HG3 H 2.484 0.001 . 818 163 111 MET HE H 2.030 0.001 . 819 163 111 MET CA C 53.600 0.000 . 820 163 111 MET CB C 31.680 0.000 . 821 163 111 MET CG C 29.614 0.000 . 822 163 111 MET CE C 15.284 0.046 . 823 163 111 MET N N 127.730 0.000 . 824 164 112 ASP H H 7.829 0.004 . 825 164 112 ASP HB2 H 2.697 0.003 . 826 164 112 ASP HB3 H 2.697 0.003 . 827 164 112 ASP CB C 38.550 0.000 . 828 164 112 ASP N N 116.137 0.000 . 829 166 114 SER H H 8.412 0.000 . 830 166 114 SER HA H 4.296 0.001 . 831 166 114 SER CA C 56.444 0.000 . 832 166 114 SER N N 115.763 0.000 . 833 167 115 GLN H H 7.057 0.001 . 834 167 115 GLN HB2 H 2.069 0.010 . 835 167 115 GLN HB3 H 2.069 0.010 . 836 167 115 GLN HG2 H 2.287 0.004 . 837 167 115 GLN HG3 H 2.287 0.004 . 838 167 115 GLN HE21 H 7.476 0.000 . 839 167 115 GLN HE22 H 6.795 0.002 . 840 167 115 GLN CB C 26.384 0.000 . 841 167 115 GLN CG C 29.210 0.000 . 842 167 115 GLN N N 120.474 0.000 . 843 167 115 GLN NE2 N 112.526 0.035 . 844 168 116 PRO HA H 4.298 0.002 . 845 168 116 PRO HB2 H 2.173 0.001 . 846 168 116 PRO HB3 H 1.703 0.002 . 847 168 116 PRO CA C 58.851 0.000 . 848 168 116 PRO CB C 29.022 0.000 . 849 169 117 LEU H H 8.276 0.001 . 850 169 117 LEU HA H 3.880 0.004 . 851 169 117 LEU HB2 H 1.361 0.001 . 852 169 117 LEU HB3 H 1.094 0.001 . 853 169 117 LEU HG H 1.285 0.002 . 854 169 117 LEU HD1 H 0.289 0.002 . 855 169 117 LEU HD2 H 0.354 0.001 . 856 169 117 LEU CA C 51.825 0.000 . 857 169 117 LEU CB C 37.644 0.004 . 858 169 117 LEU CG C 23.836 0.000 . 859 169 117 LEU CD1 C 21.890 0.000 . 860 169 117 LEU CD2 C 20.958 0.000 . 861 169 117 LEU N N 122.858 0.000 . 862 170 118 ASP H H 8.526 0.001 . 863 170 118 ASP HA H 5.034 0.008 . 864 170 118 ASP HB2 H 2.830 0.004 . 865 170 118 ASP HB3 H 2.526 0.000 . 866 170 118 ASP CA C 46.658 0.000 . 867 170 118 ASP CB C 39.500 0.000 . 868 170 118 ASP N N 125.147 0.000 . 869 171 119 PRO HA H 4.185 0.008 . 870 171 119 PRO HG2 H 2.068 0.003 . 871 171 119 PRO HG3 H 2.068 0.003 . 872 171 119 PRO HD2 H 4.135 0.003 . 873 171 119 PRO HD3 H 3.928 0.000 . 874 171 119 PRO CA C 61.991 0.000 . 875 171 119 PRO CG C 24.130 0.000 . 876 171 119 PRO CD C 48.470 0.000 . 877 172 120 ARG H H 8.021 0.001 . 878 172 120 ARG HA H 4.151 0.000 . 879 172 120 ARG HB2 H 1.865 0.001 . 880 172 120 ARG HB3 H 1.865 0.001 . 881 172 120 ARG HG2 H 1.714 0.003 . 882 172 120 ARG HG3 H 1.583 0.001 . 883 172 120 ARG HD2 H 3.204 0.001 . 884 172 120 ARG HD3 H 3.204 0.001 . 885 172 120 ARG CA C 54.264 0.000 . 886 172 120 ARG CB C 26.100 0.000 . 887 172 120 ARG CG C 25.000 0.000 . 888 172 120 ARG CD C 39.850 0.000 . 889 172 120 ARG N N 114.400 0.000 . 890 173 121 LYS H H 7.503 0.002 . 891 173 121 LYS HA H 3.399 0.002 . 892 173 121 LYS HB2 H 1.645 0.005 . 893 173 121 LYS HB3 H 1.645 0.005 . 894 173 121 LYS HG2 H 1.278 0.003 . 895 173 121 LYS HG3 H 1.278 0.003 . 896 173 121 LYS HE2 H 3.065 0.003 . 897 173 121 LYS HE3 H 3.065 0.003 . 898 173 121 LYS CA C 52.241 0.000 . 899 173 121 LYS CB C 30.412 0.000 . 900 173 121 LYS CG C 26.656 0.000 . 901 173 121 LYS CE C 37.570 0.000 . 902 173 121 LYS N N 116.709 0.000 . 903 174 122 THR H H 7.021 0.004 . 904 174 122 THR HA H 5.575 0.004 . 905 174 122 THR HB H 4.166 0.004 . 906 174 122 THR HG2 H 0.804 0.002 . 907 174 122 THR CA C 58.370 0.000 . 908 174 122 THR CB C 66.440 0.000 . 909 174 122 THR CG2 C 16.614 0.000 . 910 174 122 THR N N 116.000 0.000 . 911 175 123 ILE H H 9.553 0.000 . 912 175 123 ILE HA H 5.235 0.000 . 913 175 123 ILE HB H 2.074 0.007 . 914 175 123 ILE HG2 H 0.935 0.001 . 915 175 123 ILE HD1 H 0.886 0.001 . 916 175 123 ILE CA C 56.456 0.000 . 917 175 123 ILE CB C 36.360 0.000 . 918 175 123 ILE CG2 C 16.640 0.000 . 919 175 123 ILE CD1 C 10.756 0.000 . 920 175 123 ILE N N 118.745 0.000 . 921 176 124 PHE H H 9.532 0.005 . 922 176 124 PHE HA H 5.018 0.000 . 923 176 124 PHE HB2 H 2.994 0.001 . 924 176 124 PHE HB3 H 2.897 0.001 . 925 176 124 PHE HD1 H 7.121 0.001 . 926 176 124 PHE HD2 H 7.121 0.001 . 927 176 124 PHE HE1 H 7.292 0.002 . 928 176 124 PHE HE2 H 7.292 0.002 . 929 176 124 PHE CA C 53.856 0.000 . 930 176 124 PHE CB C 38.872 0.028 . 931 176 124 PHE CD2 C 131.700 0.000 . 932 176 124 PHE CE2 C 131.203 0.000 . 933 176 124 PHE N N 123.502 0.000 . 934 177 125 VAL H H 8.203 0.000 . 935 177 125 VAL HB H 1.425 0.004 . 936 177 125 VAL HG1 H 0.575 0.001 . 937 177 125 VAL HG2 H 0.703 0.005 . 938 177 125 VAL CB C 29.400 0.000 . 939 177 125 VAL CG1 C 19.486 0.000 . 940 177 125 VAL CG2 C 17.791 0.000 . 941 177 125 VAL N N 126.300 0.000 . 942 178 126 GLY H H 9.187 0.001 . 943 178 126 GLY HA2 H 4.381 0.001 . 944 178 126 GLY HA3 H 3.763 0.004 . 945 178 126 GLY CA C 41.712 0.000 . 946 178 126 GLY N N 113.435 0.000 . 947 179 127 GLY H H 8.183 0.014 . 948 179 127 GLY HA2 H 4.182 0.003 . 949 179 127 GLY HA3 H 3.809 0.000 . 950 179 127 GLY CA C 42.900 0.000 . 951 179 127 GLY N N 110.967 0.000 . 952 180 128 VAL H H 6.851 0.002 . 953 180 128 VAL HA H 3.369 0.003 . 954 180 128 VAL HB H 1.420 0.009 . 955 180 128 VAL HG1 H 0.528 0.001 . 956 180 128 VAL HG2 H 0.714 0.003 . 957 180 128 VAL CA C 57.674 0.000 . 958 180 128 VAL CB C 29.469 0.000 . 959 180 128 VAL CG1 C 19.486 0.000 . 960 180 128 VAL CG2 C 19.110 0.000 . 961 180 128 VAL N N 119.877 0.000 . 962 181 129 PRO HD2 H 3.859 0.000 . 963 181 129 PRO HD3 H 3.184 0.001 . 964 181 129 PRO CD C 47.220 0.000 . 965 184 132 LEU H H 7.551 0.001 . 966 184 132 LEU HA H 3.971 0.001 . 967 184 132 LEU HB2 H 1.731 0.001 . 968 184 132 LEU HB3 H 1.014 0.002 . 969 184 132 LEU HD1 H 0.687 0.003 . 970 184 132 LEU CA C 53.100 0.000 . 971 184 132 LEU CB C 39.912 0.000 . 972 184 132 LEU CD1 C 22.300 0.000 . 973 184 132 LEU N N 120.827 0.000 . 974 185 133 ARG H H 8.489 0.003 . 975 185 133 ARG HA H 4.535 0.002 . 976 185 133 ARG HD2 H 3.113 0.003 . 977 185 133 ARG HD3 H 3.113 0.003 . 978 185 133 ARG CA C 52.600 0.000 . 979 185 133 ARG CD C 40.707 0.000 . 980 185 133 ARG N N 123.737 0.000 . 981 186 134 ALA H H 8.729 0.008 . 982 186 134 ALA HA H 3.637 0.003 . 983 186 134 ALA HB H 1.198 0.003 . 984 186 134 ALA CA C 53.700 0.000 . 985 186 134 ALA CB C 14.628 0.000 . 986 186 134 ALA N N 125.300 0.000 . 987 187 135 VAL H H 8.821 0.000 . 988 187 135 VAL HA H 3.045 0.005 . 989 187 135 VAL HB H 1.338 0.004 . 990 187 135 VAL HG1 H -0.120 0.003 . 991 187 135 VAL HG2 H 0.579 0.004 . 992 187 135 VAL CA C 60.352 0.000 . 993 187 135 VAL CB C 27.370 0.000 . 994 187 135 VAL CG1 C 17.769 0.000 . 995 187 135 VAL CG2 C 16.307 0.000 . 996 187 135 VAL N N 115.513 0.000 . 997 188 136 GLU H H 6.242 0.002 . 998 188 136 GLU HA H 3.681 0.001 . 999 188 136 GLU HG2 H 1.914 0.003 . 1000 188 136 GLU HG3 H 1.914 0.003 . 1001 188 136 GLU CA C 55.270 0.000 . 1002 188 136 GLU CG C 34.438 0.000 . 1003 188 136 GLU N N 120.347 0.000 . 1004 189 137 LEU H H 7.636 0.001 . 1005 189 137 LEU HA H 3.778 0.000 . 1006 189 137 LEU HB2 H 1.804 0.013 . 1007 189 137 LEU HB3 H 1.804 0.013 . 1008 189 137 LEU HD1 H 0.612 0.010 . 1009 189 137 LEU HD2 H 0.610 0.015 . 1010 189 137 LEU CA C 54.688 0.000 . 1011 189 137 LEU CB C 37.744 0.000 . 1012 189 137 LEU CD1 C 24.981 0.000 . 1013 189 137 LEU CD2 C 22.986 0.000 . 1014 189 137 LEU N N 119.337 0.000 . 1015 190 138 ALA H H 8.230 0.010 . 1016 190 138 ALA HA H 3.663 0.003 . 1017 190 138 ALA HB H 1.453 0.008 . 1018 190 138 ALA CA C 52.445 0.000 . 1019 190 138 ALA CB C 15.400 0.000 . 1020 190 138 ALA N N 118.085 0.070 . 1021 191 139 MET H H 7.938 0.001 . 1022 191 139 MET HA H 3.965 0.003 . 1023 191 139 MET HB3 H 2.009 0.033 . 1024 191 139 MET HG2 H 2.653 0.001 . 1025 191 139 MET HG3 H 2.465 0.000 . 1026 191 139 MET HE H 1.930 0.002 . 1027 191 139 MET CA C 55.656 0.000 . 1028 191 139 MET CB C 28.888 0.000 . 1029 191 139 MET CG C 28.985 0.002 . 1030 191 139 MET CE C 13.691 0.000 . 1031 191 139 MET N N 115.808 0.000 . 1032 192 140 ILE H H 8.304 0.002 . 1033 192 140 ILE HA H 3.637 0.001 . 1034 192 140 ILE HB H 1.704 0.004 . 1035 192 140 ILE HG12 H 1.019 0.004 . 1036 192 140 ILE HG13 H 1.019 0.004 . 1037 192 140 ILE HG2 H 0.914 0.001 . 1038 192 140 ILE HD1 H 0.632 0.000 . 1039 192 140 ILE CA C 62.175 0.000 . 1040 192 140 ILE CB C 35.991 0.000 . 1041 192 140 ILE CG1 C 25.883 0.000 . 1042 192 140 ILE CG2 C 14.392 0.000 . 1043 192 140 ILE CD1 C 11.756 0.000 . 1044 192 140 ILE N N 120.537 0.000 . 1045 193 141 MET H H 7.742 0.000 . 1046 193 141 MET HA H 4.426 0.006 . 1047 193 141 MET HB2 H 2.274 0.002 . 1048 193 141 MET HB3 H 2.274 0.002 . 1049 193 141 MET HG2 H 2.738 0.009 . 1050 193 141 MET HG3 H 2.728 0.001 . 1051 193 141 MET HE H 1.941 0.004 . 1052 193 141 MET CA C 54.156 0.000 . 1053 193 141 MET CB C 28.556 0.000 . 1054 193 141 MET CG C 31.274 0.001 . 1055 193 141 MET CE C 14.706 0.000 . 1056 193 141 MET N N 115.619 0.000 . 1057 194 142 ASP H H 8.895 0.000 . 1058 194 142 ASP HA H 4.329 0.000 . 1059 194 142 ASP HB2 H 2.615 0.001 . 1060 194 142 ASP HB3 H 2.505 0.001 . 1061 194 142 ASP CA C 55.200 0.000 . 1062 194 142 ASP CB C 39.850 0.000 . 1063 194 142 ASP N N 122.357 0.000 . 1064 195 143 ARG H H 7.901 0.000 . 1065 195 143 ARG HA H 4.030 0.001 . 1066 195 143 ARG HB2 H 1.934 0.005 . 1067 195 143 ARG HB3 H 1.934 0.005 . 1068 195 143 ARG HG3 H 1.704 0.053 . 1069 195 143 ARG HD2 H 3.194 0.001 . 1070 195 143 ARG HD3 H 3.194 0.001 . 1071 195 143 ARG CA C 55.629 0.000 . 1072 195 143 ARG CB C 26.909 0.000 . 1073 195 143 ARG CG C 24.179 0.024 . 1074 195 143 ARG CD C 40.544 0.000 . 1075 195 143 ARG N N 118.759 0.000 . 1076 196 144 LEU H H 7.296 0.003 . 1077 196 144 LEU HA H 3.876 0.008 . 1078 196 144 LEU HB2 H 1.269 0.001 . 1079 196 144 LEU HB3 H 0.091 0.001 . 1080 196 144 LEU HG H 1.553 0.003 . 1081 196 144 LEU HD1 H 0.690 0.001 . 1082 196 144 LEU HD2 H 0.752 0.001 . 1083 196 144 LEU CA C 54.184 0.000 . 1084 196 144 LEU CB C 39.517 0.017 . 1085 196 144 LEU CG C 23.400 0.000 . 1086 196 144 LEU CD1 C 19.317 0.000 . 1087 196 144 LEU CD2 C 22.470 0.000 . 1088 196 144 LEU N N 117.379 0.000 . 1089 197 145 TYR H H 8.043 0.001 . 1090 197 145 TYR HA H 4.883 0.000 . 1091 197 145 TYR HB2 H 3.391 0.003 . 1092 197 145 TYR HB3 H 3.391 0.003 . 1093 197 145 TYR HD1 H 7.091 0.006 . 1094 197 145 TYR HD2 H 7.091 0.006 . 1095 197 145 TYR HE1 H 6.656 0.012 . 1096 197 145 TYR HE2 H 6.656 0.012 . 1097 197 145 TYR CA C 54.949 0.000 . 1098 197 145 TYR CB C 39.000 0.000 . 1099 197 145 TYR CD1 C 133.166 0.000 . 1100 197 145 TYR CE1 C 119.334 0.000 . 1101 197 145 TYR N N 114.500 0.000 . 1102 198 146 GLY H H 8.175 0.005 . 1103 198 146 GLY HA2 H 4.276 0.000 . 1104 198 146 GLY HA3 H 4.195 0.004 . 1105 198 146 GLY CA C 41.400 0.000 . 1106 198 146 GLY N N 110.963 0.000 . 1107 199 147 GLY H H 7.858 0.001 . 1108 199 147 GLY HA2 H 3.958 0.000 . 1109 199 147 GLY HA3 H 3.902 0.003 . 1110 199 147 GLY CA C 44.301 0.000 . 1111 199 147 GLY N N 99.575 0.000 . 1112 200 148 VAL H H 8.190 0.005 . 1113 200 148 VAL HA H 3.786 0.003 . 1114 200 148 VAL HG1 H 0.788 0.001 . 1115 200 148 VAL HG2 H 0.735 0.002 . 1116 200 148 VAL CA C 61.540 0.000 . 1117 200 148 VAL CG1 C 19.730 0.000 . 1118 200 148 VAL CG2 C 18.744 0.000 . 1119 200 148 VAL N N 121.490 0.000 . 1120 201 149 CYS H H 9.276 0.003 . 1121 201 149 CYS HA H 5.031 0.003 . 1122 201 149 CYS HB2 H 3.360 0.003 . 1123 201 149 CYS HB3 H 2.832 0.000 . 1124 201 149 CYS CA C 53.600 0.000 . 1125 201 149 CYS CB C 26.706 0.011 . 1126 201 149 CYS N N 120.400 0.000 . 1127 202 150 TYR H H 7.854 0.002 . 1128 202 150 TYR HA H 5.293 0.001 . 1129 202 150 TYR HB2 H 3.430 0.004 . 1130 202 150 TYR HB3 H 3.430 0.004 . 1131 202 150 TYR HD1 H 6.631 0.003 . 1132 202 150 TYR HD2 H 6.631 0.003 . 1133 202 150 TYR HE1 H 6.516 0.005 . 1134 202 150 TYR HE2 H 6.516 0.005 . 1135 202 150 TYR CA C 54.200 0.000 . 1136 202 150 TYR CB C 39.700 0.000 . 1137 202 150 TYR CD1 C 132.766 0.000 . 1138 202 150 TYR CE1 C 117.695 0.000 . 1139 202 150 TYR N N 127.221 0.000 . 1140 203 151 ALA H H 8.249 0.000 . 1141 203 151 ALA HB H 1.212 0.002 . 1142 203 151 ALA CB C 20.893 0.000 . 1143 203 151 ALA N N 128.063 0.000 . 1144 204 152 GLY H H 8.896 0.001 . 1145 204 152 GLY HA2 H 3.774 0.004 . 1146 204 152 GLY HA3 H 3.774 0.004 . 1147 204 152 GLY CA C 41.300 0.000 . 1148 204 152 GLY N N 106.826 0.000 . 1149 205 153 ILE H H 8.983 0.005 . 1150 205 153 ILE HA H 3.636 0.003 . 1151 205 153 ILE HB H 2.030 0.021 . 1152 205 153 ILE HG2 H 0.905 0.004 . 1153 205 153 ILE HD1 H 0.537 0.005 . 1154 205 153 ILE CA C 53.824 0.000 . 1155 205 153 ILE CB C 36.219 0.000 . 1156 205 153 ILE CG2 C 14.000 0.000 . 1157 205 153 ILE CD1 C 6.250 0.000 . 1158 205 153 ILE N N 121.973 0.000 . 1159 206 154 ASP H H 8.867 0.003 . 1160 206 154 ASP HB2 H 2.482 0.002 . 1161 206 154 ASP HB3 H 2.482 0.002 . 1162 206 154 ASP CB C 37.356 0.000 . 1163 206 154 ASP N N 129.096 0.000 . 1164 207 155 THR H H 8.198 0.005 . 1165 207 155 THR HB H 3.564 0.009 . 1166 207 155 THR HG2 H 0.863 0.001 . 1167 207 155 THR CB C 69.138 0.000 . 1168 207 155 THR CG2 C 17.344 0.000 . 1169 207 155 THR N N 112.733 0.000 . 1170 208 156 ASP H H 8.705 0.004 . 1171 208 156 ASP HB2 H 2.944 0.005 . 1172 208 156 ASP HB3 H 2.506 0.004 . 1173 208 156 ASP CB C 38.600 0.000 . 1174 208 156 ASP N N 122.752 0.005 . 1175 209 157 PRO HA H 4.385 0.001 . 1176 209 157 PRO HG2 H 2.114 0.000 . 1177 209 157 PRO HG3 H 2.114 0.000 . 1178 209 157 PRO HD2 H 3.901 0.001 . 1179 209 157 PRO HD3 H 3.901 0.001 . 1180 209 157 PRO CA C 61.536 0.000 . 1181 209 157 PRO CG C 24.277 0.000 . 1182 209 157 PRO CD C 47.269 0.000 . 1183 210 158 GLU H H 7.912 0.003 . 1184 210 158 GLU HA H 4.312 0.004 . 1185 210 158 GLU HB2 H 2.029 0.005 . 1186 210 158 GLU HB3 H 2.029 0.005 . 1187 210 158 GLU HG2 H 2.235 0.005 . 1188 210 158 GLU HG3 H 2.193 0.006 . 1189 210 158 GLU CA C 55.400 0.000 . 1190 210 158 GLU CB C 27.400 0.000 . 1191 210 158 GLU CG C 33.140 0.000 . 1192 210 158 GLU N N 117.877 0.011 . 1193 211 159 LEU H H 9.869 0.002 . 1194 211 159 LEU HA H 4.475 0.002 . 1195 211 159 LEU HG H 1.578 0.010 . 1196 211 159 LEU HD1 H 0.826 0.002 . 1197 211 159 LEU HD2 H 0.827 0.002 . 1198 211 159 LEU CA C 51.300 0.000 . 1199 211 159 LEU CG C 24.220 0.000 . 1200 211 159 LEU CD1 C 23.160 0.000 . 1201 211 159 LEU CD2 C 20.230 0.000 . 1202 211 159 LEU N N 118.725 0.017 . 1203 212 160 LYS H H 8.177 0.008 . 1204 212 160 LYS HA H 4.166 0.002 . 1205 212 160 LYS HG2 H 1.317 0.006 . 1206 212 160 LYS HG3 H 1.317 0.006 . 1207 212 160 LYS HD2 H 1.732 0.002 . 1208 212 160 LYS HD3 H 1.664 0.001 . 1209 212 160 LYS HE2 H 3.003 0.000 . 1210 212 160 LYS HE3 H 3.003 0.000 . 1211 212 160 LYS CA C 53.370 0.000 . 1212 212 160 LYS CG C 21.980 0.000 . 1213 212 160 LYS CD C 26.125 0.031 . 1214 212 160 LYS CE C 39.120 0.000 . 1215 212 160 LYS N N 120.489 0.012 . 1216 213 161 TYR H H 7.624 0.008 . 1217 213 161 TYR N N 119.084 0.016 . 1218 214 162 PRO HA H 4.526 0.025 . 1219 214 162 PRO HG2 H 0.247 0.002 . 1220 214 162 PRO HG3 H -0.237 0.002 . 1221 214 162 PRO CA C 60.514 0.000 . 1222 214 162 PRO CG C 22.860 0.000 . 1223 215 163 LYS H H 8.486 0.002 . 1224 215 163 LYS HA H 4.380 0.002 . 1225 215 163 LYS HB2 H 1.869 0.005 . 1226 215 163 LYS HB3 H 1.480 0.010 . 1227 215 163 LYS HG2 H 1.546 0.000 . 1228 215 163 LYS HG3 H 1.466 0.003 . 1229 215 163 LYS HD2 H 1.538 0.000 . 1230 215 163 LYS HD3 H 1.443 0.005 . 1231 215 163 LYS HE2 H 2.933 0.003 . 1232 215 163 LYS HE3 H 2.933 0.003 . 1233 215 163 LYS CA C 52.600 0.000 . 1234 215 163 LYS CB C 30.856 0.000 . 1235 215 163 LYS CG C 24.350 0.000 . 1236 215 163 LYS CD C 26.312 0.000 . 1237 215 163 LYS CE C 38.188 0.000 . 1238 215 163 LYS N N 119.227 0.000 . 1239 216 164 GLY H H 8.239 0.005 . 1240 216 164 GLY HA2 H 4.124 0.002 . 1241 216 164 GLY HA3 H 4.124 0.002 . 1242 216 164 GLY CA C 42.800 0.000 . 1243 216 164 GLY N N 108.763 0.000 . 1244 217 165 ALA H H 7.579 0.013 . 1245 217 165 ALA HA H 4.959 0.002 . 1246 217 165 ALA HB H 1.489 0.002 . 1247 217 165 ALA CA C 47.923 0.000 . 1248 217 165 ALA CB C 20.406 0.000 . 1249 217 165 ALA N N 121.000 0.000 . 1250 218 166 GLY H H 8.564 0.000 . 1251 218 166 GLY HA2 H 4.512 0.001 . 1252 218 166 GLY HA3 H 3.886 0.006 . 1253 218 166 GLY CA C 42.433 0.007 . 1254 218 166 GLY N N 106.354 0.000 . 1255 219 167 ARG H H 9.130 0.002 . 1256 219 167 ARG HA H 5.571 0.008 . 1257 219 167 ARG HB2 H 1.683 0.002 . 1258 219 167 ARG HB3 H 1.387 0.001 . 1259 219 167 ARG HG2 H 1.437 0.000 . 1260 219 167 ARG HG3 H 1.437 0.000 . 1261 219 167 ARG CA C 51.556 0.000 . 1262 219 167 ARG CB C 32.156 0.000 . 1263 219 167 ARG CG C 29.331 0.000 . 1264 219 167 ARG N N 118.822 0.000 . 1265 220 168 VAL H H 8.255 0.003 . 1266 220 168 VAL HB H 1.684 0.003 . 1267 220 168 VAL HG1 H 0.413 0.002 . 1268 220 168 VAL HG2 H 0.754 0.002 . 1269 220 168 VAL CB C 31.980 0.000 . 1270 220 168 VAL CG1 C 19.224 0.000 . 1271 220 168 VAL CG2 C 18.920 0.000 . 1272 220 168 VAL N N 118.600 0.000 . 1273 221 169 ALA H H 9.174 0.004 . 1274 221 169 ALA HA H 5.255 0.002 . 1275 221 169 ALA HB H 1.451 0.001 . 1276 221 169 ALA CA C 47.541 0.000 . 1277 221 169 ALA CB C 19.670 0.000 . 1278 221 169 ALA N N 129.942 0.000 . 1279 222 170 PHE H H 8.593 0.004 . 1280 222 170 PHE HA H 5.576 0.003 . 1281 222 170 PHE HB2 H 3.162 0.001 . 1282 222 170 PHE HB3 H 3.162 0.001 . 1283 222 170 PHE HD1 H 7.640 0.032 . 1284 222 170 PHE HD2 H 7.640 0.032 . 1285 222 170 PHE HE1 H 7.255 0.008 . 1286 222 170 PHE HE2 H 7.255 0.008 . 1287 222 170 PHE HZ H 6.891 0.006 . 1288 222 170 PHE CA C 53.756 0.000 . 1289 222 170 PHE CB C 40.012 0.000 . 1290 222 170 PHE CD1 C 132.900 0.000 . 1291 222 170 PHE CE1 C 132.834 0.000 . 1292 222 170 PHE CZ C 128.400 0.000 . 1293 222 170 PHE N N 120.412 0.000 . 1294 223 171 SER H H 10.174 0.003 . 1295 223 171 SER HA H 4.571 0.001 . 1296 223 171 SER HB2 H 4.107 0.001 . 1297 223 171 SER HB3 H 4.107 0.001 . 1298 223 171 SER CA C 54.656 0.000 . 1299 223 171 SER CB C 61.500 0.000 . 1300 223 171 SER N N 113.626 0.000 . 1301 224 172 ASN H H 7.408 0.002 . 1302 224 172 ASN HA H 5.065 0.005 . 1303 224 172 ASN HB2 H 2.906 0.003 . 1304 224 172 ASN HB3 H 2.906 0.003 . 1305 224 172 ASN HD21 H 7.838 0.003 . 1306 224 172 ASN HD22 H 7.072 0.001 . 1307 224 172 ASN CA C 49.080 0.000 . 1308 224 172 ASN CB C 39.400 0.000 . 1309 224 172 ASN N N 116.627 0.000 . 1310 224 172 ASN ND2 N 113.581 0.024 . 1311 226 174 GLN H H 8.333 0.000 . 1312 226 174 GLN HA H 3.963 0.005 . 1313 226 174 GLN HB2 H 2.256 0.002 . 1314 226 174 GLN HB3 H 2.118 0.001 . 1315 226 174 GLN HG2 H 2.460 0.001 . 1316 226 174 GLN HG3 H 2.446 0.008 . 1317 226 174 GLN HE21 H 7.276 0.001 . 1318 226 174 GLN HE22 H 6.780 0.001 . 1319 226 174 GLN CA C 56.956 0.000 . 1320 226 174 GLN CB C 24.619 0.019 . 1321 226 174 GLN CG C 31.528 0.028 . 1322 226 174 GLN N N 119.285 0.000 . 1323 226 174 GLN NE2 N 110.065 0.007 . 1324 227 175 SER H H 8.552 0.000 . 1325 227 175 SER HA H 3.980 0.017 . 1326 227 175 SER CA C 59.900 0.000 . 1327 227 175 SER N N 119.603 0.000 . 1328 228 176 TYR H H 6.406 0.003 . 1329 228 176 TYR HA H 3.092 0.004 . 1330 228 176 TYR HB2 H 2.909 0.000 . 1331 228 176 TYR HB3 H 2.795 0.001 . 1332 228 176 TYR HD1 H 6.857 0.000 . 1333 228 176 TYR HD2 H 6.857 0.000 . 1334 228 176 TYR HE1 H 6.714 0.000 . 1335 228 176 TYR HE2 H 6.714 0.000 . 1336 228 176 TYR CA C 57.647 0.000 . 1337 228 176 TYR CB C 35.000 0.000 . 1338 228 176 TYR CD1 C 132.297 0.000 . 1339 228 176 TYR CE1 C 119.000 0.000 . 1340 228 176 TYR N N 119.238 0.000 . 1341 229 177 ILE H H 8.335 0.000 . 1342 229 177 ILE HA H 3.305 0.001 . 1343 229 177 ILE HB H 1.865 0.005 . 1344 229 177 ILE HG12 H 1.688 0.009 . 1345 229 177 ILE HG13 H 1.445 0.001 . 1346 229 177 ILE HG2 H 0.794 0.003 . 1347 229 177 ILE HD1 H 0.819 0.000 . 1348 229 177 ILE CA C 59.555 0.000 . 1349 229 177 ILE CB C 33.770 0.000 . 1350 229 177 ILE CG1 C 25.644 0.000 . 1351 229 177 ILE CG2 C 14.000 0.000 . 1352 229 177 ILE CD1 C 8.629 0.000 . 1353 229 177 ILE N N 117.976 0.000 . 1354 230 178 ALA H H 7.846 0.000 . 1355 230 178 ALA HA H 3.843 0.004 . 1356 230 178 ALA HB H 1.457 0.007 . 1357 230 178 ALA CA C 51.974 0.000 . 1358 230 178 ALA CB C 14.870 0.000 . 1359 230 178 ALA N N 125.103 0.000 . 1360 231 179 ALA H H 7.089 0.001 . 1361 231 179 ALA HA H 2.892 0.001 . 1362 231 179 ALA HB H 0.708 0.000 . 1363 231 179 ALA CA C 51.377 0.000 . 1364 231 179 ALA CB C 15.256 0.000 . 1365 231 179 ALA N N 121.300 0.000 . 1366 232 180 ILE H H 7.622 0.001 . 1367 232 180 ILE HA H 3.606 0.001 . 1368 232 180 ILE HB H 1.685 0.005 . 1369 232 180 ILE HG12 H 2.196 0.003 . 1370 232 180 ILE HG13 H 1.986 0.001 . 1371 232 180 ILE HG2 H 0.448 0.005 . 1372 232 180 ILE HD1 H 0.502 0.001 . 1373 232 180 ILE CA C 59.771 0.000 . 1374 232 180 ILE CB C 34.000 0.000 . 1375 232 180 ILE CG1 C 24.931 0.000 . 1376 232 180 ILE CG2 C 15.286 0.000 . 1377 232 180 ILE CD1 C 9.826 0.000 . 1378 232 180 ILE N N 110.635 0.000 . 1379 233 181 SER H H 7.870 0.002 . 1380 233 181 SER HA H 4.114 0.003 . 1381 233 181 SER HB2 H 4.005 0.000 . 1382 233 181 SER HB3 H 3.861 0.003 . 1383 233 181 SER CA C 57.670 0.000 . 1384 233 181 SER CB C 59.844 0.000 . 1385 233 181 SER N N 116.296 0.000 . 1386 234 182 ALA H H 7.149 0.002 . 1387 234 182 ALA HA H 4.325 0.007 . 1388 234 182 ALA HB H 1.471 0.001 . 1389 234 182 ALA CA C 50.156 0.000 . 1390 234 182 ALA CB C 15.990 0.000 . 1391 234 182 ALA N N 124.630 0.000 . 1392 235 183 ARG H H 7.422 0.001 . 1393 235 183 ARG HA H 3.765 0.002 . 1394 235 183 ARG HB2 H 1.923 0.004 . 1395 235 183 ARG HB3 H 1.827 0.001 . 1396 235 183 ARG HG2 H 1.493 0.001 . 1397 235 183 ARG HG3 H 1.022 0.001 . 1398 235 183 ARG HD2 H 3.188 0.003 . 1399 235 183 ARG HD3 H 3.061 0.003 . 1400 235 183 ARG CA C 57.750 0.000 . 1401 235 183 ARG CB C 26.700 0.000 . 1402 235 183 ARG CG C 24.300 0.000 . 1403 235 183 ARG CD C 40.290 0.000 . 1404 235 183 ARG N N 114.759 0.000 . 1405 236 184 PHE H H 8.421 0.000 . 1406 236 184 PHE HA H 5.663 0.003 . 1407 236 184 PHE HB2 H 2.886 0.000 . 1408 236 184 PHE HB3 H 2.825 0.006 . 1409 236 184 PHE HD1 H 7.174 0.000 . 1410 236 184 PHE HD2 H 7.174 0.000 . 1411 236 184 PHE HE1 H 7.296 0.000 . 1412 236 184 PHE HE2 H 7.296 0.000 . 1413 236 184 PHE HZ H 7.244 0.013 . 1414 236 184 PHE CA C 52.925 0.000 . 1415 236 184 PHE CB C 38.604 0.000 . 1416 236 184 PHE CD2 C 132.231 0.000 . 1417 236 184 PHE CE2 C 131.334 0.000 . 1418 236 184 PHE CZ C 129.800 0.000 . 1419 236 184 PHE N N 117.014 0.000 . 1420 237 185 VAL H H 8.742 0.001 . 1421 237 185 VAL HA H 4.319 0.000 . 1422 237 185 VAL HB H 1.781 0.001 . 1423 237 185 VAL HG1 H 0.908 0.002 . 1424 237 185 VAL HG2 H 0.807 0.003 . 1425 237 185 VAL CA C 57.200 0.000 . 1426 237 185 VAL CB C 32.790 0.000 . 1427 237 185 VAL CG1 C 18.600 0.000 . 1428 237 185 VAL CG2 C 17.800 0.000 . 1429 237 185 VAL N N 120.780 0.000 . 1430 238 186 GLN H H 8.605 0.000 . 1431 238 186 GLN HA H 4.413 0.000 . 1432 238 186 GLN HB2 H 2.034 0.001 . 1433 238 186 GLN HB3 H 1.906 0.003 . 1434 238 186 GLN HG2 H 2.284 0.002 . 1435 238 186 GLN HG3 H 2.040 0.010 . 1436 238 186 GLN HE21 H 7.829 0.000 . 1437 238 186 GLN HE22 H 6.410 0.002 . 1438 238 186 GLN CA C 51.800 0.000 . 1439 238 186 GLN CB C 24.970 0.000 . 1440 238 186 GLN CG C 29.531 0.000 . 1441 238 186 GLN N N 126.744 0.000 . 1442 238 186 GLN NE2 N 110.961 0.009 . 1443 239 187 LEU H H 9.109 0.003 . 1444 239 187 LEU HA H 4.278 0.002 . 1445 239 187 LEU HB2 H 1.804 0.003 . 1446 239 187 LEU HB3 H 1.340 0.005 . 1447 239 187 LEU HG H 1.714 0.002 . 1448 239 187 LEU HD1 H 0.655 0.001 . 1449 239 187 LEU HD2 H 0.642 0.005 . 1450 239 187 LEU CA C 51.400 0.000 . 1451 239 187 LEU CB C 38.950 0.000 . 1452 239 187 LEU CG C 23.340 0.000 . 1453 239 187 LEU CD1 C 23.884 0.000 . 1454 239 187 LEU CD2 C 20.343 0.000 . 1455 239 187 LEU N N 128.655 0.000 . 1456 240 188 GLN H H 7.914 0.000 . 1457 240 188 GLN HA H 5.158 0.004 . 1458 240 188 GLN HB2 H 1.915 0.002 . 1459 240 188 GLN HB3 H 1.915 0.002 . 1460 240 188 GLN HG2 H 2.262 0.001 . 1461 240 188 GLN HG3 H 2.099 0.001 . 1462 240 188 GLN HE21 H 7.668 0.001 . 1463 240 188 GLN HE22 H 6.661 0.004 . 1464 240 188 GLN CA C 51.336 0.000 . 1465 240 188 GLN CB C 27.440 0.000 . 1466 240 188 GLN CG C 31.000 0.000 . 1467 240 188 GLN N N 123.073 0.000 . 1468 240 188 GLN NE2 N 113.200 0.000 . 1469 241 189 HIS H H 8.410 0.000 . 1470 241 189 HIS HA H 4.474 0.001 . 1471 241 189 HIS HB2 H 2.897 0.000 . 1472 241 189 HIS HB3 H 2.612 0.000 . 1473 241 189 HIS HE1 H 7.591 0.002 . 1474 241 189 HIS CA C 53.544 0.000 . 1475 241 189 HIS CB C 29.380 0.000 . 1476 241 189 HIS CE1 C 138.702 0.000 . 1477 241 189 HIS N N 124.563 0.000 . 1478 243 191 GLU HA H 4.184 0.003 . 1479 243 191 GLU CA C 53.556 0.000 . 1480 244 192 ILE H H 8.175 0.005 . 1481 244 192 ILE HB H 2.135 0.000 . 1482 244 192 ILE HG12 H 1.562 0.001 . 1483 244 192 ILE HG13 H 1.149 0.000 . 1484 244 192 ILE HG2 H 0.792 0.000 . 1485 244 192 ILE HD1 H 0.762 0.000 . 1486 244 192 ILE CB C 34.812 0.000 . 1487 244 192 ILE CG1 C 24.485 0.015 . 1488 244 192 ILE CG2 C 14.500 0.000 . 1489 244 192 ILE CD1 C 10.004 0.000 . 1490 244 192 ILE N N 122.000 0.000 . 1491 245 193 ASP H H 8.367 0.001 . 1492 245 193 ASP HA H 5.239 0.004 . 1493 245 193 ASP HB2 H 2.710 0.001 . 1494 245 193 ASP HB3 H 2.457 0.000 . 1495 245 193 ASP CA C 50.399 0.000 . 1496 245 193 ASP CB C 38.200 0.000 . 1497 245 193 ASP N N 128.457 0.000 . 1498 246 194 LYS H H 8.604 0.001 . 1499 246 194 LYS HA H 4.604 0.001 . 1500 246 194 LYS HB2 H 1.677 0.001 . 1501 246 194 LYS HB3 H 1.577 0.000 . 1502 246 194 LYS HG2 H 1.446 0.001 . 1503 246 194 LYS HG3 H 1.353 0.001 . 1504 246 194 LYS HD2 H 1.878 0.011 . 1505 246 194 LYS HD3 H 1.878 0.011 . 1506 246 194 LYS HE2 H 3.073 0.000 . 1507 246 194 LYS HE3 H 3.073 0.000 . 1508 246 194 LYS CA C 51.500 0.000 . 1509 246 194 LYS CB C 33.700 0.000 . 1510 246 194 LYS CG C 21.400 0.000 . 1511 246 194 LYS CD C 26.531 0.000 . 1512 246 194 LYS CE C 39.300 0.000 . 1513 246 194 LYS N N 124.528 0.000 . 1514 247 195 ARG H H 8.563 0.002 . 1515 247 195 ARG HA H 4.817 0.001 . 1516 247 195 ARG HB2 H 1.829 0.002 . 1517 247 195 ARG HB3 H 1.740 0.002 . 1518 247 195 ARG HG2 H 1.534 0.004 . 1519 247 195 ARG HG3 H 1.464 0.000 . 1520 247 195 ARG HD2 H 2.942 0.002 . 1521 247 195 ARG HD3 H 2.942 0.002 . 1522 247 195 ARG CA C 53.000 0.000 . 1523 247 195 ARG CB C 28.125 0.000 . 1524 247 195 ARG CG C 24.444 0.000 . 1525 247 195 ARG CD C 40.593 0.000 . 1526 247 195 ARG N N 127.781 0.000 . 1527 248 196 VAL H H 9.122 0.000 . 1528 248 196 VAL HA H 4.909 0.002 . 1529 248 196 VAL HB H 2.336 0.005 . 1530 248 196 VAL HG1 H 0.655 0.004 . 1531 248 196 VAL HG2 H 0.684 0.001 . 1532 248 196 VAL CA C 56.105 0.000 . 1533 248 196 VAL CB C 30.376 0.000 . 1534 248 196 VAL CG1 C 15.620 0.000 . 1535 248 196 VAL CG2 C 18.890 0.000 . 1536 248 196 VAL N N 121.150 0.000 . 1537 249 197 GLU H H 8.178 0.001 . 1538 249 197 GLU HA H 5.024 0.006 . 1539 249 197 GLU HB2 H 1.956 0.002 . 1540 249 197 GLU HB3 H 1.913 0.002 . 1541 249 197 GLU HG2 H 1.974 0.001 . 1542 249 197 GLU HG3 H 1.901 0.004 . 1543 249 197 GLU CA C 51.188 0.000 . 1544 249 197 GLU CB C 29.344 0.000 . 1545 249 197 GLU CG C 33.600 0.000 . 1546 249 197 GLU N N 121.810 0.000 . 1547 250 198 VAL H H 9.034 0.003 . 1548 250 198 VAL HA H 5.101 0.002 . 1549 250 198 VAL HB H 1.878 0.004 . 1550 250 198 VAL HG1 H 0.752 0.005 . 1551 250 198 VAL HG2 H 0.781 0.000 . 1552 250 198 VAL CA C 57.286 0.000 . 1553 250 198 VAL CB C 30.926 0.000 . 1554 250 198 VAL CG1 C 19.794 0.000 . 1555 250 198 VAL CG2 C 17.700 0.000 . 1556 250 198 VAL N N 124.485 0.000 . 1557 251 199 LYS H H 8.909 0.001 . 1558 251 199 LYS HA H 4.954 0.000 . 1559 251 199 LYS HB2 H 1.985 0.004 . 1560 251 199 LYS HB3 H 1.752 0.004 . 1561 251 199 LYS HG2 H 1.475 0.002 . 1562 251 199 LYS HG3 H 1.433 0.002 . 1563 251 199 LYS HD2 H 1.641 0.006 . 1564 251 199 LYS HD3 H 1.641 0.006 . 1565 251 199 LYS HE2 H 2.830 0.007 . 1566 251 199 LYS HE3 H 2.830 0.007 . 1567 251 199 LYS CA C 50.134 0.000 . 1568 251 199 LYS CB C 31.500 0.000 . 1569 251 199 LYS CG C 21.244 0.000 . 1570 251 199 LYS CD C 26.250 0.000 . 1571 251 199 LYS CE C 38.844 0.000 . 1572 251 199 LYS N N 123.500 0.000 . 1573 252 200 PRO HA H 4.559 0.012 . 1574 252 200 PRO HB2 H 2.586 0.006 . 1575 252 200 PRO HB3 H 1.911 0.001 . 1576 252 200 PRO HD2 H 3.765 0.002 . 1577 252 200 PRO HD3 H 3.651 0.012 . 1578 252 200 PRO CA C 61.000 0.000 . 1579 252 200 PRO CB C 29.156 0.000 . 1580 252 200 PRO CD C 47.535 0.000 . 1581 253 201 TYR H H 8.558 0.004 . 1582 253 201 TYR HA H 4.433 0.004 . 1583 253 201 TYR HB2 H 3.009 0.000 . 1584 253 201 TYR HB3 H 2.782 0.000 . 1585 253 201 TYR HD1 H 7.000 0.001 . 1586 253 201 TYR HD2 H 7.000 0.001 . 1587 253 201 TYR HE1 H 6.837 0.003 . 1588 253 201 TYR HE2 H 6.837 0.003 . 1589 253 201 TYR CA C 56.244 0.000 . 1590 253 201 TYR CB C 37.156 0.000 . 1591 253 201 TYR CD1 C 132.556 0.000 . 1592 253 201 TYR CE1 C 118.334 0.000 . 1593 253 201 TYR N N 124.363 0.000 . 1594 254 202 VAL HA H 3.956 0.001 . 1595 254 202 VAL HB H 1.910 0.000 . 1596 254 202 VAL HG1 H 0.780 0.001 . 1597 254 202 VAL CA C 58.105 0.000 . 1598 254 202 VAL CB C 29.956 0.000 . 1599 254 202 VAL CG1 C 17.900 0.000 . 1600 255 203 LEU H H 8.088 0.000 . 1601 255 203 LEU HA H 4.248 0.002 . 1602 255 203 LEU HB2 H 1.512 0.002 . 1603 255 203 LEU HB3 H 1.512 0.002 . 1604 255 203 LEU CA C 51.612 0.000 . 1605 255 203 LEU CB C 39.457 0.000 . 1606 255 203 LEU N N 126.355 0.000 . stop_ save_