data_19905 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Phosphorylated 4E-BP2 ; _BMRB_accession_number 19905 _BMRB_flat_file_name bmr19905.str _Entry_type original _Submission_date 2014-04-10 _Accession_date 2014-04-10 _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 Bah Alaji . . 2 Forman-Kay Julie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 216 "13C chemical shifts" 299 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-02-27 update BMRB 'update entry citation' 2014-12-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19114 4E-BP2 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Folding of an intrinsically disordered protein by phosphorylation as a regulatory switch' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25533957 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bah Alaji . . 2 Vernon Robert . . 3 Siddiqui Zeba . . 4 Krzeminski Mickael . . 5 Muhandiram Ranjith . . 6 Zhao Charlie . . 7 Sonenberg Nahum . . 8 Kay Lewis . . 9 Forman-Kay Julie . . stop_ _Journal_abbreviation Nature _Journal_volume 519 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 106 _Page_last 109 _Year 2015 _Details . loop_ _Keyword folding IDPs NMR 'Post translational modification' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'phosphorylated 4E-BP2 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'phosphorylated 4E-BP2 monomer' $Phosphorylated_4E-BP2 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_Phosphorylated_4E-BP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Phosphorylated_4E-BP2 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Regulation of eukaryotic translation initiation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MSSSAGSGHQPSQSRAIPTR TVAISDAAQLPHDYCTTPGG TLFSTTPGGTRIIYDRKFLL DRRNSPMAQTPPCHLPNIPG VTSPGTLIEDSKVEVNNLNN LNNHDRKHAVGDDAQFEMDI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 SER 4 SER 5 ALA 6 GLY 7 SER 8 GLY 9 HIS 10 GLN 11 PRO 12 SER 13 GLN 14 SER 15 ARG 16 ALA 17 ILE 18 PRO 19 THR 20 ARG 21 THR 22 VAL 23 ALA 24 ILE 25 SER 26 ASP 27 ALA 28 ALA 29 GLN 30 LEU 31 PRO 32 HIS 33 ASP 34 TYR 35 CYS 36 THR 37 THR 38 PRO 39 GLY 40 GLY 41 THR 42 LEU 43 PHE 44 SER 45 THR 46 THR 47 PRO 48 GLY 49 GLY 50 THR 51 ARG 52 ILE 53 ILE 54 TYR 55 ASP 56 ARG 57 LYS 58 PHE 59 LEU 60 LEU 61 ASP 62 ARG 63 ARG 64 ASN 65 SER 66 PRO 67 MET 68 ALA 69 GLN 70 THR 71 PRO 72 PRO 73 CYS 74 HIS 75 LEU 76 PRO 77 ASN 78 ILE 79 PRO 80 GLY 81 VAL 82 THR 83 SER 84 PRO 85 GLY 86 THR 87 LEU 88 ILE 89 GLU 90 ASP 91 SER 92 LYS 93 VAL 94 GLU 95 VAL 96 ASN 97 ASN 98 LEU 99 ASN 100 ASN 101 LEU 102 ASN 103 ASN 104 HIS 105 ASP 106 ARG 107 LYS 108 HIS 109 ALA 110 VAL 111 GLY 112 ASP 113 ASP 114 ALA 115 GLN 116 PHE 117 GLU 118 MET 119 ASP 120 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 19114 4E-BP2 100.00 128 98.33 100.00 1.32e-80 DBJ BAG11409 "eukaryotic translation initiation factor 4E-binding protein 2 [synthetic construct]" 100.00 120 100.00 100.00 3.49e-82 DBJ BAG36466 "unnamed protein product [Homo sapiens]" 100.00 120 99.17 99.17 3.54e-81 EMBL CAG47036 "EIF4EBP2 [Homo sapiens]" 100.00 120 99.17 99.17 1.58e-81 GB AAA62270 "4E-binding protein 2 [Homo sapiens]" 100.00 120 100.00 100.00 3.49e-82 GB AAH05057 "Eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" 100.00 120 100.00 100.00 3.49e-82 GB AAH50633 "Eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" 100.00 120 100.00 100.00 3.49e-82 GB AAP35981 "eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" 100.00 120 100.00 100.00 3.49e-82 GB AAX32712 "eukaryotic translation initiation factor 4E binding protein 2 [synthetic construct]" 100.00 120 100.00 100.00 3.49e-82 PRF 2021415B "initiation factor 4E-binding protein:ISOTYPE=2" 100.00 120 100.00 100.00 3.49e-82 REF NP_001178078 "eukaryotic translation initiation factor 4E-binding protein 2 [Bos taurus]" 100.00 120 99.17 99.17 3.31e-81 REF NP_001244839 "eukaryotic translation initiation factor 4E-binding protein 2 [Macaca mulatta]" 100.00 120 100.00 100.00 3.49e-82 REF NP_004087 "eukaryotic translation initiation factor 4E-binding protein 2 [Homo sapiens]" 100.00 120 100.00 100.00 3.49e-82 REF XP_002718482 "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 2 [Oryctolagus cuniculus]" 100.00 120 99.17 99.17 3.31e-81 REF XP_002756317 "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 2 isoform X2 [Callithrix jacchus]" 100.00 120 98.33 99.17 9.55e-81 SP Q13542 "RecName: Full=Eukaryotic translation initiation factor 4E-binding protein 2; Short=4E-BP2; Short=eIF4E-binding protein 2" 100.00 120 100.00 100.00 3.49e-82 TPG DAA14291 "TPA: eukaryotic translation initiation factor 4E binding protein 2-like [Bos taurus]" 100.00 120 99.17 99.17 3.31e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Phosphorylated_4E-BP2 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 $Phosphorylated_4E-BP2 'recombinant technology' . Escherichia coli . 'pET SUMO' 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 $Phosphorylated_4E-BP2 1 mM '[U-99% 13C; U-99% 15N]' DTT 2 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 30 mM 'natural abundance' EDTA 1 mM 'natural abundance' Benzamidine 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task 'chemical shift assignment' processing 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.150 . M pH 6.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D H(CCO)NH' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name 'phosphorylated 4E-BP2 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 1 MET HA H 4.563 . . 2 1 1 MET C C 176.219 . . 3 2 2 SER H H 8.654 . . 4 2 2 SER C C 174.852 . . 5 2 2 SER CB C 63.752 . . 6 3 3 SER H H 8.591 . . 7 3 3 SER HA H 4.51 . . 8 3 3 SER C C 174.77 . . 9 3 3 SER CA C 58.474 . . 10 3 3 SER CB C 63.82 . . 11 4 4 SER H H 8.547 . . 12 4 4 SER HA H 4.456 . . 13 4 4 SER C C 174.489 . . 14 4 4 SER CA C 58.38 . . 15 4 4 SER CB C 63.62 . . 16 5 5 ALA H H 8.466 . . 17 5 5 ALA HA H 4.333 . . 18 5 5 ALA C C 178.301 . . 19 5 5 ALA CA C 52.93 . . 20 5 5 ALA CB C 19.21 . . 21 6 6 GLY H H 8.508 . . 22 6 6 GLY HA2 H 3.993 . . 23 6 6 GLY HA3 H 3.993 . . 24 6 6 GLY C C 174.424 . . 25 6 6 GLY CA C 45.345 . . 26 7 7 SER H H 8.411 . . 27 7 7 SER HA H 4.443 . . 28 7 7 SER C C 175.181 . . 29 7 7 SER CA C 58.548 . . 30 7 7 SER CB C 63.866 . . 31 8 8 GLY H H 8.642 . . 32 8 8 GLY HA2 H 3.932 . . 33 8 8 GLY HA3 H 3.932 . . 34 8 8 GLY CA C 45.315 . . 35 9 9 HIS H H 8.453 . . 36 9 9 HIS HA H 4.684 . . 37 9 9 HIS C C 174.485 . . 38 9 9 HIS CA C 55.307 . . 39 9 9 HIS CB C 29.609 . . 40 10 10 GLN H H 8.643 . . 41 10 10 GLN CA C 53.729 . . 42 10 10 GLN CB C 28.898 . . 43 11 11 PRO HA H 4.448 . . 44 11 11 PRO C C 177.012 . . 45 12 12 SER H H 8.65 . . 46 12 12 SER HA H 4.385 . . 47 12 12 SER C C 174.807 . . 48 12 12 SER CA C 58.56 . . 49 12 12 SER CB C 63.77 . . 50 13 13 GLN H H 8.576 . . 51 13 13 GLN HA H 4.383 . . 52 13 13 GLN C C 176.007 . . 53 13 13 GLN CA C 55.93 . . 54 13 13 GLN CB C 29.53 . . 55 14 14 SER H H 8.496 . . 56 14 14 SER HA H 4.39 . . 57 14 14 SER C C 174.679 . . 58 14 14 SER CA C 58.43 . . 59 14 14 SER CB C 63.69 . . 60 15 15 ARG H H 8.478 . . 61 15 15 ARG CA C 55.855 . . 62 15 15 ARG CB C 30.944 . . 63 16 16 ALA H H 8.466 . . 64 16 16 ALA HA H 4.599 . . 65 16 16 ALA CA C 52.151 . . 66 16 16 ALA CB C 19.318 . . 67 17 17 ILE H H 8.554 . . 68 17 17 ILE CA C 59.373 . . 69 17 17 ILE CB C 39.752 . . 70 18 18 PRO HA H 4.469 . . 71 18 18 PRO C C 176.056 . . 72 19 19 THR H H 8.294 . . 73 19 19 THR HA H 5.346 . . 74 19 19 THR C C 174.103 . . 75 19 19 THR CA C 60.712 . . 76 19 19 THR CB C 72.58 . . 77 20 20 ARG H H 8.929 . . 78 20 20 ARG HA H 4.586 . . 79 20 20 ARG C C 174.31 . . 80 20 20 ARG CA C 55.35 . . 81 20 20 ARG CB C 33.31 . . 82 21 21 THR H H 8.663 . . 83 21 21 THR HA H 5.062 . . 84 21 21 THR C C 174.475 . . 85 21 21 THR CA C 61.75 . . 86 21 21 THR CB C 70.064 . . 87 22 22 VAL H H 9.046 . . 88 22 22 VAL HA H 4.254 . . 89 22 22 VAL C C 174.249 . . 90 22 22 VAL CA C 61.127 . . 91 22 22 VAL CB C 34.689 . . 92 23 23 ALA H H 8.81 . . 93 23 23 ALA HA H 4.252 . . 94 23 23 ALA C C 177.316 . . 95 23 23 ALA CA C 51.567 . . 96 23 23 ALA CB C 19.323 . . 97 24 24 ILE H H 8.554 . . 98 24 24 ILE HA H 4.604 . . 99 24 24 ILE C C 175.362 . . 100 24 24 ILE CA C 59.373 . . 101 24 24 ILE CB C 39.752 . . 102 25 25 SER H H 9.06 . . 103 25 25 SER HA H 4.576 . . 104 25 25 SER C C 173.636 . . 105 25 25 SER CA C 58.47 . . 106 25 25 SER CB C 64.42 . . 107 26 26 ASP H H 7.8 . . 108 26 26 ASP HA H 4.439 . . 109 26 26 ASP C C 175.424 . . 110 26 26 ASP CA C 53.63 . . 111 26 26 ASP CB C 44.237 . . 112 27 27 ALA H H 8.733 . . 113 27 27 ALA HA H 3.685 . . 114 27 27 ALA C C 178.614 . . 115 27 27 ALA CA C 54.44 . . 116 27 27 ALA CB C 18.286 . . 117 28 28 ALA H H 8.857 . . 118 28 28 ALA HA H 4.175 . . 119 28 28 ALA C C 178.315 . . 120 28 28 ALA CA C 53.61 . . 121 28 28 ALA CB C 18.48 . . 122 29 29 GLN H H 7.945 . . 123 29 29 GLN HA H 4.187 . . 124 29 29 GLN CA C 55.656 . . 125 29 29 GLN CB C 29.56 . . 126 30 30 LEU H H 7.538 . . 127 30 30 LEU CA C 53.03 . . 128 30 30 LEU CB C 41.366 . . 129 31 31 PRO HA H 4.494 . . 130 31 31 PRO C C 176.371 . . 131 32 32 HIS H H 8.812 . . 132 32 32 HIS HA H 4.393 . . 133 32 32 HIS C C 174.87 . . 134 32 32 HIS CA C 57.61 . . 135 32 32 HIS CB C 28.83 . . 136 33 33 ASP H H 8.31 . . 137 33 33 ASP HA H 4.596 . . 138 33 33 ASP C C 174.794 . . 139 33 33 ASP CA C 53 . . 140 33 33 ASP CB C 40.57 . . 141 34 34 TYR H H 7.434 . . 142 34 34 TYR HA H 4.64 . . 143 34 34 TYR C C 173.857 . . 144 34 34 TYR CA C 57.23 . . 145 34 34 TYR CB C 38.21 . . 146 35 35 CYS H H 9.246 . . 147 35 35 CYS HA H 4.534 . . 148 35 35 CYS C C 172.585 . . 149 35 35 CYS CA C 57.21 . . 150 35 35 CYS CB C 30.93 . . 151 36 36 THR H H 8.306 . . 152 36 36 THR HA H 4.02 . . 153 36 36 THR C C 176.021 . . 154 36 36 THR CA C 60.03 . . 155 36 36 THR CB C 71.57 . . 156 37 37 THR H H 9.378 . . 157 37 37 THR CA C 60.73 . . 158 37 37 THR CB C 69.62 . . 159 38 38 PRO HA H 4.255 . . 160 38 38 PRO C C 178.436 . . 161 39 39 GLY H H 10.998 . . 162 39 39 GLY HA2 H 4.071 . . 163 39 39 GLY HA3 H 4.071 . . 164 39 39 GLY C C 175.831 . . 165 39 39 GLY CA C 45.609 . . 166 40 40 GLY H H 8.459 . . 167 40 40 GLY HA2 H 4.391 . . 168 40 40 GLY HA3 H 4.391 . . 169 40 40 GLY C C 174.33 . . 170 40 40 GLY CA C 44.717 . . 171 41 41 THR H H 8.458 . . 172 41 41 THR HA H 4.402 . . 173 41 41 THR C C 173.239 . . 174 41 41 THR CA C 65.84 . . 175 41 41 THR CB C 67.355 . . 176 42 42 LEU H H 9.012 . . 177 42 42 LEU HA H 5.49 . . 178 42 42 LEU C C 176.49 . . 179 42 42 LEU CA C 54.195 . . 180 42 42 LEU CB C 44.48 . . 181 43 43 PHE H H 9.415 . . 182 43 43 PHE HA H 6.233 . . 183 43 43 PHE C C 173.34 . . 184 43 43 PHE CA C 56.269 . . 185 43 43 PHE CB C 43.4 . . 186 44 44 SER H H 9.616 . . 187 44 44 SER HA H 4.833 . . 188 44 44 SER C C 172.769 . . 189 44 44 SER CA C 57.454 . . 190 44 44 SER CB C 65.664 . . 191 45 45 THR H H 8.512 . . 192 45 45 THR HA H 5.701 . . 193 45 45 THR C C 175.586 . . 194 45 45 THR CA C 60.74 . . 195 45 45 THR CB C 71.15 . . 196 46 46 THR H H 9.371 . . 197 46 46 THR CA C 60.83 . . 198 46 46 THR CB C 69.46 . . 199 47 47 PRO HA H 4.275 . . 200 47 47 PRO C C 178.395 . . 201 48 48 GLY H H 11.085 . . 202 48 48 GLY HA2 H 4.071 . . 203 48 48 GLY HA3 H 4.071 . . 204 48 48 GLY C C 175.828 . . 205 48 48 GLY CA C 45.599 . . 206 49 49 GLY H H 8.459 . . 207 49 49 GLY HA2 H 4.391 . . 208 49 49 GLY HA3 H 4.391 . . 209 49 49 GLY C C 174.472 . . 210 49 49 GLY CA C 44.713 . . 211 50 50 THR H H 8.458 . . 212 50 50 THR HA H 4.204 . . 213 50 50 THR C C 173.166 . . 214 50 50 THR CA C 65.84 . . 215 50 50 THR CB C 67.355 . . 216 51 51 ARG H H 8.695 . . 217 51 51 ARG HA H 4.975 . . 218 51 51 ARG C C 174.291 . . 219 51 51 ARG CA C 55.74 . . 220 51 51 ARG CB C 31.622 . . 221 52 52 ILE H H 9.307 . . 222 52 52 ILE HA H 4.544 . . 223 52 52 ILE C C 175.057 . . 224 52 52 ILE CA C 59.02 . . 225 52 52 ILE CB C 38.32 . . 226 53 53 ILE H H 8.752 . . 227 53 53 ILE HA H 4.534 . . 228 53 53 ILE C C 175.515 . . 229 53 53 ILE CA C 59.23 . . 230 53 53 ILE CB C 38.71 . . 231 54 54 TYR H H 8.298 . . 232 54 54 TYR HA H 4.97 . . 233 54 54 TYR C C 175.012 . . 234 54 54 TYR CA C 57.242 . . 235 54 54 TYR CB C 38.756 . . 236 55 55 ASP H H 8.923 . . 237 55 55 ASP HA H 4.704 . . 238 55 55 ASP C C 176.334 . . 239 55 55 ASP CA C 53.33 . . 240 55 55 ASP CB C 41.94 . . 241 56 56 ARG H H 8.594 . . 242 56 56 ARG HA H 4.293 . . 243 56 56 ARG C C 176.268 . . 244 56 56 ARG CA C 56.32 . . 245 56 56 ARG CB C 30.15 . . 246 57 57 LYS H H 8.699 . . 247 57 57 LYS HA H 4.163 . . 248 57 57 LYS C C 176.719 . . 249 57 57 LYS CA C 57.18 . . 250 57 57 LYS CB C 32.03 . . 251 58 58 PHE H H 7.836 . . 252 58 58 PHE HA H 4.623 . . 253 58 58 PHE C C 175.55 . . 254 58 58 PHE CA C 57.11 . . 255 58 58 PHE CB C 38.85 . . 256 59 59 LEU H H 7.862 . . 257 59 59 LEU HA H 4.255 . . 258 59 59 LEU C C 177.273 . . 259 59 59 LEU CA C 55.36 . . 260 59 59 LEU CB C 42.25 . . 261 60 60 LEU H H 8.154 . . 262 60 60 LEU HA H 4.309 . . 263 60 60 LEU C C 177.082 . . 264 60 60 LEU CA C 55.33 . . 265 60 60 LEU CB C 42.34 . . 266 61 61 ASP H H 8.374 . . 267 61 61 ASP HA H 4.681 . . 268 61 61 ASP C C 176.093 . . 269 61 61 ASP CA C 54.33 . . 270 61 61 ASP CB C 41.14 . . 271 62 62 ARG H H 8.301 . . 272 62 62 ARG HA H 4.338 . . 273 62 62 ARG C C 175.655 . . 274 62 62 ARG CA C 55.818 . . 275 62 62 ARG CB C 30.61 . . 276 63 63 ARG H H 8.433 . . 277 63 63 ARG HA H 4.291 . . 278 63 63 ARG C C 176.179 . . 279 63 63 ARG CA C 55.953 . . 280 63 63 ARG CB C 30.971 . . 281 64 64 ASN H H 8.699 . . 282 64 64 ASN HA H 4.743 . . 283 64 64 ASN C C 174.772 . . 284 64 64 ASN CA C 53.18 . . 285 64 64 ASN CB C 39.208 . . 286 65 65 SER H H 8.167 . . 287 65 65 SER CA C 54.491 . . 288 65 65 SER CB C 66.221 . . 289 66 66 PRO HA H 4.398 . . 290 66 66 PRO C C 176.938 . . 291 67 67 MET H H 8.618 . . 292 67 67 MET HA H 4.456 . . 293 67 67 MET C C 175.925 . . 294 67 67 MET CA C 55.372 . . 295 67 67 MET CB C 33.146 . . 296 68 68 ALA H H 8.466 . . 297 68 68 ALA C C 177.382 . . 298 68 68 ALA CA C 52.738 . . 299 68 68 ALA CB C 19.318 . . 300 69 69 GLN H H 8.495 . . 301 69 69 GLN HA H 4.363 . . 302 69 69 GLN C C 175.697 . . 303 69 69 GLN CA C 55.52 . . 304 69 69 GLN CB C 30.08 . . 305 70 70 THR H H 8.948 . . 306 70 70 THR CA C 60.1 . . 307 70 70 THR CB C 73.2 . . 308 72 72 PRO HA H 4.437 . . 309 72 72 PRO C C 176.717 . . 310 73 73 CYS H H 8.546 . . 311 73 73 CYS HA H 4.433 . . 312 73 73 CYS C C 174.252 . . 313 73 73 CYS CA C 58.28 . . 314 73 73 CYS CB C 28.06 . . 315 74 74 HIS H H 8.707 . . 316 74 74 HIS HA H 4.732 . . 317 74 74 HIS C C 174.115 . . 318 74 74 HIS CA C 55.08 . . 319 74 74 HIS CB C 29.6 . . 320 75 75 LEU H H 8.517 . . 321 75 75 LEU CA C 53.1 . . 322 75 75 LEU CB C 41.65 . . 323 76 76 PRO HA H 4.411 . . 324 76 76 PRO C C 176.34 . . 325 77 77 ASN H H 8.635 . . 326 77 77 ASN HA H 4.636 . . 327 77 77 ASN CA C 53.233 . . 328 77 77 ASN CB C 38.935 . . 329 78 78 ILE H H 8.31 . . 330 78 78 ILE CA C 58.575 . . 331 78 78 ILE CB C 39.129 . . 332 79 79 PRO HA H 4.381 . . 333 79 79 PRO C C 177.447 . . 334 80 80 GLY H H 8.678 . . 335 80 80 GLY HA2 H 3.956 . . 336 80 80 GLY HA3 H 3.956 . . 337 80 80 GLY C C 174.04 . . 338 80 80 GLY CA C 45.261 . . 339 81 81 VAL H H 8.16 . . 340 81 81 VAL HA H 4.221 . . 341 81 81 VAL CA C 62.384 . . 342 81 81 VAL CB C 33.077 . . 343 82 82 THR H H 8.485 . . 344 82 82 THR HA H 4.383 . . 345 82 82 THR C C 174.193 . . 346 82 82 THR CA C 61.79 . . 347 82 82 THR CB C 69.88 . . 348 83 83 SER H H 8.76 . . 349 83 83 SER CA C 55.43 . . 350 83 83 SER CB C 65.53 . . 351 84 84 PRO HA H 4.396 . . 352 84 84 PRO C C 177.679 . . 353 85 85 GLY H H 8.634 . . 354 85 85 GLY HA2 H 3.974 . . 355 85 85 GLY HA3 H 3.974 . . 356 85 85 GLY C C 174.498 . . 357 85 85 GLY CA C 45.543 . . 358 86 86 THR H H 8.118 . . 359 86 86 THR HA H 4.259 . . 360 86 86 THR C C 174.347 . . 361 86 86 THR CA C 69.734 . . 362 87 87 LEU H H 8.433 . . 363 87 87 LEU HA H 4.636 . . 364 87 87 LEU C C 177.093 . . 365 87 87 LEU CA C 55.33 . . 366 87 87 LEU CB C 42.28 . . 367 88 88 ILE H H 8.342 . . 368 88 88 ILE HA H 4.128 . . 369 88 88 ILE C C 176.292 . . 370 88 88 ILE CA C 61.05 . . 371 88 88 ILE CB C 38.76 . . 372 89 89 GLU H H 8.658 . . 373 89 89 GLU HA H 4.277 . . 374 89 89 GLU C C 175.674 . . 375 89 89 GLU CA C 56.53 . . 376 89 89 GLU CB C 30.398 . . 377 90 90 ASP H H 8.576 . . 378 90 90 ASP HA H 4.592 . . 379 90 90 ASP C C 176.429 . . 380 90 90 ASP CA C 54.44 . . 381 90 90 ASP CB C 41.008 . . 382 91 91 SER H H 8.434 . . 383 91 91 SER HA H 4.397 . . 384 91 91 SER C C 174.679 . . 385 91 91 SER CA C 63.609 . . 386 91 91 SER CB C 58.66 . . 387 92 92 LYS H H 8.478 . . 388 92 92 LYS HA H 4.34 . . 389 92 92 LYS C C 176.522 . . 390 92 92 LYS CA C 56.28 . . 391 92 92 LYS CB C 32.8 . . 392 93 93 VAL H H 8.164 . . 393 93 93 VAL HA H 4.062 . . 394 93 93 VAL C C 176.107 . . 395 93 93 VAL CA C 62.45 . . 396 93 93 VAL CB C 32.82 . . 397 94 94 GLU H H 8.632 . . 398 94 94 GLU HA H 4.333 . . 399 94 94 GLU C C 176.519 . . 400 94 94 GLU CA C 56.426 . . 401 94 94 GLU CB C 30.55 . . 402 95 95 VAL H H 8.388 . . 403 95 95 VAL HA H 4.067 . . 404 95 95 VAL C C 175.95 . . 405 95 95 VAL CA C 62.58 . . 406 95 95 VAL CB C 32.74 . . 407 96 96 ASN H H 8.668 . . 408 96 96 ASN HA H 4.711 . . 409 96 96 ASN C C 174.985 . . 410 96 96 ASN CA C 53.293 . . 411 96 96 ASN CB C 38.961 . . 412 97 97 ASN H H 8.564 . . 413 97 97 ASN HA H 4.681 . . 414 97 97 ASN C C 175.466 . . 415 97 97 ASN CA C 53.46 . . 416 97 97 ASN CB C 38.824 . . 417 98 98 LEU H H 8.279 . . 418 98 98 LEU HA H 4.261 . . 419 98 98 LEU C C 177.495 . . 420 98 98 LEU CA C 55.73 . . 421 98 98 LEU CB C 42.14 . . 422 99 99 ASN H H 8.485 . . 423 99 99 ASN HA H 4.648 . . 424 99 99 ASN C C 175.137 . . 425 99 99 ASN CA C 53.25 . . 426 99 99 ASN CB C 38.849 . . 427 100 100 ASN H H 8.342 . . 428 100 100 ASN HA H 4.699 . . 429 100 100 ASN C C 175.526 . . 430 100 100 ASN CA C 53.413 . . 431 100 100 ASN CB C 38.827 . . 432 101 101 LEU H H 8.412 . . 433 101 101 LEU HA H 4.372 . . 434 101 101 LEU CA C 53.432 . . 435 101 101 LEU CB C 41.97 . . 436 102 102 ASN H H 8.342 . . 437 102 102 ASN CA C 58.322 . . 438 102 102 ASN CB C 38.765 . . 439 105 105 ASP HA H 4.699 . . 440 105 105 ASP C C 175.563 . . 441 105 105 ASP CA C 54.516 . . 442 105 105 ASP CB C 41.084 . . 443 106 106 ARG H H 8.412 . . 444 106 106 ARG HA H 4.279 . . 445 106 106 ARG C C 176.338 . . 446 106 106 ARG CA C 56.35 . . 447 106 106 ARG CB C 30.32 . . 448 107 107 LYS H H 8.496 . . 449 107 107 LYS HA H 4.222 . . 450 107 107 LYS C C 176.454 . . 451 107 107 LYS CA C 56.39 . . 452 107 107 LYS CB C 32.89 . . 453 108 108 HIS H H 8.564 . . 454 108 108 HIS HA H 4.66 . . 455 108 108 HIS C C 174.026 . . 456 108 108 HIS CA C 55.293 . . 457 108 108 HIS CB C 29.55 . . 458 109 109 ALA H H 8.578 . . 459 109 109 ALA HA H 4.363 . . 460 109 109 ALA C C 177.529 . . 461 109 109 ALA CA C 52.26 . . 462 109 109 ALA CB C 19.63 . . 463 110 110 VAL H H 8.404 . . 464 110 110 VAL HA H 4.09 . . 465 110 110 VAL C C 176.791 . . 466 110 110 VAL CA C 62.64 . . 467 110 110 VAL CB C 32.79 . . 468 111 111 GLY H H 8.668 . . 469 111 111 GLY HA2 H 4.02 . . 470 111 111 GLY HA3 H 4.02 . . 471 111 111 GLY C C 174.16 . . 472 111 111 GLY CA C 45.23 . . 473 112 112 ASP H H 8.374 . . 474 112 112 ASP HA H 4.599 . . 475 112 112 ASP C C 176.222 . . 476 112 112 ASP CA C 54.553 . . 477 112 112 ASP CB C 41.153 . . 478 113 113 ASP H H 8.495 . . 479 113 113 ASP HA H 4.544 . . 480 113 113 ASP C C 176.23 . . 481 113 113 ASP CA C 54.561 . . 482 113 113 ASP CB C 41.03 . . 483 114 114 ALA H H 8.276 . . 484 114 114 ALA HA H 4.217 . . 485 114 114 ALA C C 177.732 . . 486 114 114 ALA CA C 52.87 . . 487 114 114 ALA CB C 19.15 . . 488 115 115 GLN H H 8.342 . . 489 115 115 GLN HA H 4.217 . . 490 115 115 GLN C C 175.698 . . 491 115 115 GLN CA C 55.94 . . 492 115 115 GLN CB C 29.377 . . 493 116 116 PHE H H 8.243 . . 494 116 116 PHE HA H 4.634 . . 495 116 116 PHE C C 175.562 . . 496 116 116 PHE CA C 57.61 . . 497 116 116 PHE CB C 39.695 . . 498 117 117 GLU H H 8.412 . . 499 117 117 GLU HA H 4.255 . . 500 117 117 GLU C C 175.906 . . 501 117 117 GLU CA C 56.354 . . 502 117 117 GLU CB C 30.315 . . 503 118 118 MET H H 8.423 . . 504 118 118 MET HA H 4.464 . . 505 118 118 MET C C 175.678 . . 506 118 118 MET CA C 55.35 . . 507 118 118 MET CB C 33.43 . . 508 119 119 ASP H H 8.576 . . 509 119 119 ASP HA H 4.655 . . 510 119 119 ASP C C 174.961 . . 511 119 119 ASP CA C 54.44 . . 512 119 119 ASP CB C 41.01 . . 513 120 120 ILE H H 7.758 . . 514 120 120 ILE CA C 62.75 . . 515 120 120 ILE CB C 39.837 . . stop_ save_