data_25276 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of eEF1Bdelta CAR domain in TCTP-bound state ; _BMRB_accession_number 25276 _BMRB_flat_file_name bmr25276.str _Entry_type original _Submission_date 2014-10-09 _Accession_date 2014-10-09 _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 Wu Huiwen . . 2 Feng Yingang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 228 "13C chemical shifts" 159 "15N chemical shifts" 44 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-25 update BMRB 'update entry citation' 2015-02-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25275 'eEF1Bdelta CAR domain' stop_ _Original_release_date 2015-08-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Evolutionarily Conserved Binding of Translationally-Controlled Tumor Protein to Eukaryotic Elongation Factor 1B ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25635048 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Huiwen . . 2 Gong Weibin . . 3 Yao Xingzhe . . 4 Wang Jinfeng . . 5 Perrett Sarah . . 6 Feng Yingang . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 290 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8694 _Page_last 8710 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'eEF1Bdelta CAR domain in TCTP-bound state' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 5000.408 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GPGSEDDDIDLFGSDNEEED KEAAQLREERLRQYAEKKAK KPAL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 149 GLY 2 150 PRO 3 151 GLY 4 152 SER 5 153 GLU 6 154 ASP 7 155 ASP 8 156 ASP 9 157 ILE 10 158 ASP 11 159 LEU 12 160 PHE 13 161 GLY 14 162 SER 15 163 ASP 16 164 ASN 17 165 GLU 18 166 GLU 19 167 GLU 20 168 ASP 21 169 LYS 22 170 GLU 23 171 ALA 24 172 ALA 25 173 GLN 26 174 LEU 27 175 ARG 28 176 GLU 29 177 GLU 30 178 ARG 31 179 LEU 32 180 ARG 33 181 GLN 34 182 TYR 35 183 ALA 36 184 GLU 37 185 LYS 38 186 LYS 39 187 ALA 40 188 LYS 41 189 LYS 42 190 PRO 43 191 ALA 44 192 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 25275 entity 100.00 44 100.00 100.00 2.39e-20 PDB 2MVM "Solution Structure Of Eef1bdelta Car Domain" 100.00 44 100.00 100.00 2.39e-20 PDB 2MVN "Solution Structure Of Eef1bdelta Car Domain In Tctp-bound State" 100.00 44 100.00 100.00 2.39e-20 DBJ BAB14925 "unnamed protein product [Homo sapiens]" 77.27 647 100.00 100.00 5.16e-11 DBJ BAE01260 "unnamed protein product [Macaca fascicularis]" 77.27 669 100.00 100.00 3.92e-11 DBJ BAE02383 "unnamed protein product [Macaca fascicularis]" 77.27 669 100.00 100.00 3.92e-11 DBJ BAG36963 "unnamed protein product [Homo sapiens]" 77.27 647 100.00 100.00 5.21e-11 DBJ BAG56855 "unnamed protein product [Homo sapiens]" 77.27 262 100.00 100.00 5.11e-12 EMBL CAA79716 "human elongation factor-1-delta [Homo sapiens]" 77.27 281 100.00 100.00 5.50e-12 GB AAH00678 "EEF1D protein, partial [Homo sapiens]" 77.27 550 100.00 100.00 3.26e-11 GB AAH07847 "EEF1D protein [Homo sapiens]" 77.27 647 100.00 100.00 4.97e-11 GB AAH09907 "Eukaryotic translation elongation factor 1 delta (guanine nucleotide exchange protein) [Homo sapiens]" 77.27 281 100.00 100.00 5.50e-12 GB AAH12819 "Eukaryotic translation elongation factor 1 delta (guanine nucleotide exchange protein) [Homo sapiens]" 77.27 281 100.00 100.00 5.50e-12 GB AAH62535 "Eukaryotic translation elongation factor 1 delta (guanine nucleotide exchange protein) [Homo sapiens]" 77.27 281 100.00 100.00 5.50e-12 REF NP_001123525 "elongation factor 1-delta isoform 1 [Homo sapiens]" 77.27 647 100.00 100.00 4.97e-11 REF NP_001123527 "elongation factor 1-delta isoform 2 [Homo sapiens]" 77.27 281 100.00 100.00 5.50e-12 REF NP_001123528 "elongation factor 1-delta isoform 4 [Homo sapiens]" 77.27 257 100.00 100.00 4.03e-12 REF NP_001123529 "elongation factor 1-delta isoform 2 [Homo sapiens]" 77.27 281 100.00 100.00 5.50e-12 REF NP_001182132 "elongation factor 1-delta isoform 5 [Homo sapiens]" 77.27 262 100.00 100.00 4.81e-12 SP P29692 "RecName: Full=Elongation factor 1-delta; Short=EF-1-delta; AltName: Full=Antigen NY-CO-4" 77.27 281 100.00 100.00 5.50e-12 SP Q4R3D4 "RecName: Full=Elongation factor 1-delta; Short=EF-1-delta" 77.27 281 100.00 100.00 4.86e-12 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.2 0.8 '[U-13C; U-15N]' TRIS 20 mM . . 'natural abundance' 'sodium chloride' 200 mM . . 'natural abundance' DSS 0.01 % . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _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' 220 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D CCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 1 150 2 PRO HA H 4.5060 0.02 1 2 150 2 PRO HB2 H 2.0110 0.02 2 3 150 2 PRO HB3 H 2.3300 0.02 2 4 150 2 PRO CA C 63.4950 0.3 1 5 150 2 PRO CB C 32.0850 0.3 1 6 151 3 GLY H H 8.7400 0.02 1 7 151 3 GLY HA2 H 4.0400 0.02 2 8 151 3 GLY HA3 H 4.0400 0.02 2 9 151 3 GLY C C 174.3950 0.3 1 10 151 3 GLY CA C 45.2940 0.3 1 11 151 3 GLY N N 110.9530 0.2 1 12 152 4 SER H H 8.2740 0.02 1 13 152 4 SER HA H 4.5120 0.02 1 14 152 4 SER HB2 H 3.9080 0.02 2 15 152 4 SER HB3 H 3.9080 0.02 2 16 152 4 SER C C 175.1400 0.3 1 17 152 4 SER CA C 58.5090 0.3 1 18 152 4 SER CB C 63.9640 0.3 1 19 152 4 SER N N 115.9170 0.2 1 20 153 5 GLU H H 8.7330 0.02 1 21 153 5 GLU HA H 4.3100 0.02 1 22 153 5 GLU HB2 H 2.1060 0.02 2 23 153 5 GLU HB3 H 1.9410 0.02 2 24 153 5 GLU HG2 H 2.2890 0.02 2 25 153 5 GLU HG3 H 2.2890 0.02 2 26 153 5 GLU C C 176.7800 0.3 1 27 153 5 GLU CA C 57.0430 0.3 1 28 153 5 GLU CB C 29.7990 0.3 1 29 153 5 GLU CG C 36.2060 0.3 1 30 153 5 GLU N N 122.8190 0.2 1 31 154 6 ASP H H 8.2620 0.02 1 32 154 6 ASP C C 176.2000 0.3 1 33 154 6 ASP CA C 54.9140 0.3 1 34 154 6 ASP N N 120.4400 0.2 1 35 155 7 ASP H H 8.4910 0.02 1 36 155 7 ASP HA H 4.6110 0.02 1 37 155 7 ASP HB2 H 2.5930 0.02 2 38 155 7 ASP HB3 H 2.5930 0.02 2 39 155 7 ASP C C 175.2270 0.3 1 40 155 7 ASP CA C 54.2770 0.3 1 41 155 7 ASP CB C 41.2370 0.3 1 42 155 7 ASP N N 120.3360 0.2 1 43 156 8 ASP H H 7.9430 0.02 1 44 156 8 ASP HA H 4.6110 0.02 1 45 156 8 ASP HB2 H 2.5890 0.02 2 46 156 8 ASP HB3 H 2.5890 0.02 2 47 156 8 ASP CA C 54.1710 0.3 1 48 156 8 ASP CB C 41.2790 0.3 1 49 156 8 ASP N N 119.9260 0.2 1 50 157 9 ILE H H 8.0330 0.02 1 51 157 9 ILE HA H 4.1720 0.02 1 52 157 9 ILE HB H 1.7220 0.02 1 53 157 9 ILE HG12 H 1.3730 0.02 1 54 157 9 ILE HG13 H 0.9070 0.02 2 55 157 9 ILE HG2 H 0.7900 0.02 1 56 157 9 ILE HD1 H 0.7600 0.02 1 57 157 9 ILE C C 173.3850 0.3 1 58 157 9 ILE CA C 60.7400 0.3 1 59 157 9 ILE CB C 39.9970 0.3 1 60 157 9 ILE CG1 C 27.5700 0.3 1 61 157 9 ILE CG2 C 16.6750 0.3 1 62 157 9 ILE CD1 C 14.4640 0.3 1 63 157 9 ILE N N 119.8690 0.2 1 64 158 10 ASP H H 8.4270 0.02 1 65 158 10 ASP C C 176.4010 0.3 1 66 158 10 ASP CA C 52.5970 0.3 1 67 158 10 ASP N N 125.5150 0.2 1 68 159 11 LEU H H 8.2210 0.02 1 69 159 11 LEU HA H 4.1910 0.02 1 70 159 11 LEU HB2 H 1.5350 0.02 2 71 159 11 LEU HB3 H 1.5350 0.02 2 72 159 11 LEU C C 177.5830 0.3 1 73 159 11 LEU CA C 54.7310 0.3 1 74 159 11 LEU N N 123.0190 0.2 1 75 160 12 PHE H H 7.9530 0.02 1 76 160 12 PHE HB2 H 3.3750 0.02 1 77 160 12 PHE HB3 H 3.3750 0.02 2 78 160 12 PHE C C 176.5490 0.3 1 79 160 12 PHE CA C 57.2060 0.3 1 80 160 12 PHE CB C 39.4720 0.3 1 81 160 12 PHE N N 112.5860 0.2 1 82 161 13 GLY H H 7.9150 0.02 1 83 161 13 GLY HA2 H 4.1000 0.02 2 84 161 13 GLY HA3 H 3.9200 0.02 2 85 161 13 GLY C C 174.1510 0.3 1 86 161 13 GLY CA C 45.4840 0.3 1 87 161 13 GLY N N 109.7130 0.2 1 88 162 14 SER H H 8.4050 0.02 1 89 162 14 SER HA H 4.4860 0.02 1 90 162 14 SER HB2 H 3.8580 0.02 2 91 162 14 SER HB3 H 3.8580 0.02 2 92 162 14 SER C C 174.3430 0.3 1 93 162 14 SER CA C 58.3260 0.3 1 94 162 14 SER CB C 64.0880 0.3 1 95 162 14 SER N N 115.9910 0.2 1 96 163 15 ASP H H 8.5530 0.02 1 97 163 15 ASP HA H 4.6680 0.02 1 98 163 15 ASP HB2 H 2.7420 0.02 2 99 163 15 ASP HB3 H 2.5980 0.02 2 100 163 15 ASP C C 175.9080 0.3 1 101 163 15 ASP CA C 54.5480 0.3 1 102 163 15 ASP CB C 41.3380 0.3 1 103 163 15 ASP N N 122.7740 0.2 1 104 164 16 ASN H H 8.4880 0.02 1 105 164 16 ASN HA H 4.7380 0.02 1 106 164 16 ASN HB2 H 2.8610 0.02 2 107 164 16 ASN HB3 H 2.7900 0.02 2 108 164 16 ASN HD21 H 6.9520 0.02 2 109 164 16 ASN HD22 H 7.5930 0.02 2 110 164 16 ASN C C 175.0090 0.3 1 111 164 16 ASN CA C 52.9470 0.3 1 112 164 16 ASN CB C 39.2700 0.3 1 113 164 16 ASN N N 119.0460 0.2 1 114 164 16 ASN ND2 N 113.2210 0.2 1 115 165 17 GLU H H 8.5810 0.02 1 116 165 17 GLU HA H 4.1650 0.02 1 117 165 17 GLU HB2 H 1.9520 0.02 2 118 165 17 GLU HB3 H 1.9520 0.02 2 119 165 17 GLU HG2 H 2.2960 0.02 2 120 165 17 GLU HG3 H 2.2960 0.02 2 121 165 17 GLU C C 177.9250 0.3 1 122 165 17 GLU CA C 58.2730 0.3 1 123 165 17 GLU CB C 29.9780 0.3 1 124 165 17 GLU CG C 36.3480 0.3 1 125 165 17 GLU N N 121.8070 0.2 1 126 166 18 GLU H H 8.3650 0.02 1 127 166 18 GLU HA H 4.1710 0.02 1 128 166 18 GLU HB2 H 2.0640 0.02 2 129 166 18 GLU HB3 H 2.0640 0.02 2 130 166 18 GLU HG2 H 2.2970 0.02 2 131 166 18 GLU HG3 H 2.2970 0.02 2 132 166 18 GLU C C 178.2010 0.3 1 133 166 18 GLU CA C 57.9750 0.3 1 134 166 18 GLU CB C 29.7480 0.3 1 135 166 18 GLU CG C 36.1820 0.3 1 136 166 18 GLU N N 120.6110 0.2 1 137 167 19 GLU H H 8.2340 0.02 1 138 167 19 GLU HA H 4.1410 0.02 1 139 167 19 GLU HB2 H 2.0290 0.02 2 140 167 19 GLU HB3 H 2.0290 0.02 2 141 167 19 GLU HG2 H 2.2920 0.02 2 142 167 19 GLU HG3 H 2.2920 0.02 2 143 167 19 GLU C C 178.3860 0.3 1 144 167 19 GLU CA C 57.9360 0.3 1 145 167 19 GLU CB C 30.2210 0.3 1 146 167 19 GLU CG C 36.2690 0.3 1 147 167 19 GLU N N 121.5000 0.2 1 148 168 20 ASP H H 8.3710 0.02 1 149 168 20 ASP HA H 4.7380 0.02 1 150 168 20 ASP HB2 H 2.7900 0.02 2 151 168 20 ASP HB3 H 2.8580 0.02 2 152 168 20 ASP C C 178.4850 0.3 1 153 168 20 ASP CA C 52.8120 0.3 1 154 168 20 ASP CB C 39.3940 0.3 1 155 168 20 ASP N N 121.7670 0.2 1 156 169 21 LYS H H 8.2640 0.02 1 157 169 21 LYS HA H 4.1380 0.02 1 158 169 21 LYS HB2 H 1.9260 0.02 2 159 169 21 LYS HB3 H 1.9260 0.02 2 160 169 21 LYS HG2 H 1.5850 0.02 2 161 169 21 LYS HG3 H 1.4390 0.02 2 162 169 21 LYS HD2 H 1.7080 0.02 2 163 169 21 LYS HD3 H 1.7080 0.02 2 164 169 21 LYS HE2 H 3.0210 0.02 2 165 169 21 LYS HE3 H 3.0210 0.02 2 166 169 21 LYS C C 179.2730 0.3 1 167 169 21 LYS CA C 58.9770 0.3 1 168 169 21 LYS CB C 32.3060 0.3 1 169 169 21 LYS CG C 25.0620 0.3 1 170 169 21 LYS CD C 29.1480 0.3 1 171 169 21 LYS CE C 42.1870 0.3 1 172 169 21 LYS N N 123.0060 0.2 1 173 170 22 GLU H H 8.2040 0.02 1 174 170 22 GLU HA H 4.1330 0.02 1 175 170 22 GLU HB2 H 2.1310 0.02 2 176 170 22 GLU HB3 H 2.0320 0.02 2 177 170 22 GLU HG2 H 2.4090 0.02 2 178 170 22 GLU HG3 H 2.4090 0.02 2 179 170 22 GLU C C 179.4530 0.3 1 180 170 22 GLU CA C 58.9290 0.3 1 181 170 22 GLU CB C 29.5910 0.3 1 182 170 22 GLU CG C 36.3350 0.3 1 183 170 22 GLU N N 120.2380 0.2 1 184 171 23 ALA H H 8.2790 0.02 1 185 171 23 ALA HA H 4.0840 0.02 1 186 171 23 ALA HB H 1.5690 0.02 1 187 171 23 ALA C C 180.2630 0.3 1 188 171 23 ALA CA C 54.9930 0.3 1 189 171 23 ALA CB C 18.3310 0.3 1 190 171 23 ALA N N 123.5220 0.2 1 191 172 24 ALA H H 8.1430 0.02 1 192 172 24 ALA HA H 4.1980 0.02 1 193 172 24 ALA HB H 1.5330 0.02 1 194 172 24 ALA C C 180.4670 0.3 1 195 172 24 ALA CA C 54.9580 0.3 1 196 172 24 ALA CB C 18.1680 0.3 1 197 172 24 ALA N N 121.9110 0.2 1 198 173 25 GLN H H 8.0650 0.02 1 199 173 25 GLN HA H 4.1320 0.02 1 200 173 25 GLN HB2 H 2.1820 0.02 2 201 173 25 GLN HB3 H 2.1820 0.02 2 202 173 25 GLN HG2 H 2.5250 0.02 2 203 173 25 GLN HG3 H 2.4170 0.02 2 204 173 25 GLN HE21 H 6.8450 0.02 2 205 173 25 GLN HE22 H 7.5650 0.02 2 206 173 25 GLN C C 178.6570 0.3 1 207 173 25 GLN CA C 58.5000 0.3 1 208 173 25 GLN CB C 28.3480 0.3 1 209 173 25 GLN CG C 34.0170 0.3 1 210 173 25 GLN N N 118.9310 0.2 1 211 173 25 GLN NE2 N 111.9120 0.2 1 212 174 26 LEU H H 7.9020 0.02 1 213 174 26 LEU HA H 4.1750 0.02 1 214 174 26 LEU HB2 H 1.6980 0.02 2 215 174 26 LEU HB3 H 1.6980 0.02 2 216 174 26 LEU HG H 1.5850 0.02 1 217 174 26 LEU C C 179.0400 0.3 1 218 174 26 LEU CA C 57.5500 0.3 1 219 174 26 LEU CB C 42.1250 0.3 1 220 174 26 LEU CG C 25.0050 0.3 1 221 174 26 LEU N N 121.2500 0.2 1 222 175 27 ARG H H 8.0560 0.02 1 223 175 27 ARG HA H 4.0580 0.02 1 224 175 27 ARG HB2 H 1.9420 0.02 2 225 175 27 ARG HB3 H 1.9420 0.02 2 226 175 27 ARG HG2 H 1.6060 0.02 2 227 175 27 ARG HG3 H 1.7920 0.02 2 228 175 27 ARG HD2 H 3.2280 0.02 2 229 175 27 ARG HD3 H 3.2280 0.02 2 230 175 27 ARG C C 178.1970 0.3 1 231 175 27 ARG CA C 59.7000 0.3 1 232 175 27 ARG CB C 29.9720 0.3 1 233 175 27 ARG CG C 27.5660 0.3 1 234 175 27 ARG CD C 43.4260 0.3 1 235 175 27 ARG N N 120.5090 0.2 1 236 176 28 GLU H H 8.0060 0.02 1 237 176 28 GLU HA H 4.0620 0.02 1 238 176 28 GLU HB2 H 2.1370 0.02 2 239 176 28 GLU HB3 H 2.1370 0.02 2 240 176 28 GLU HG2 H 2.4020 0.02 2 241 176 28 GLU HG3 H 2.4020 0.02 2 242 176 28 GLU C C 178.7190 0.3 1 243 176 28 GLU CA C 59.2580 0.3 1 244 176 28 GLU CB C 29.4220 0.3 1 245 176 28 GLU CG C 36.1300 0.3 1 246 176 28 GLU N N 118.4940 0.2 1 247 177 29 GLU H H 8.0960 0.02 1 248 177 29 GLU HA H 4.1560 0.02 1 249 177 29 GLU HB2 H 2.0530 0.02 2 250 177 29 GLU HB3 H 2.0530 0.02 2 251 177 29 GLU HG2 H 2.2820 0.02 2 252 177 29 GLU HG3 H 2.2820 0.02 2 253 177 29 GLU C C 176.2610 0.3 1 254 177 29 GLU CA C 59.0360 0.3 1 255 177 29 GLU CB C 30.1490 0.3 1 256 177 29 GLU CG C 36.2640 0.3 1 257 177 29 GLU N N 120.6010 0.2 1 258 178 30 ARG H H 8.0840 0.02 1 259 178 30 ARG HA H 4.1440 0.02 1 260 178 30 ARG HB2 H 1.9380 0.02 2 261 178 30 ARG HB3 H 1.9380 0.02 2 262 178 30 ARG HG2 H 1.7890 0.02 2 263 178 30 ARG HG3 H 1.6040 0.02 2 264 178 30 ARG HD2 H 3.2260 0.02 2 265 178 30 ARG HD3 H 3.2260 0.02 2 266 178 30 ARG C C 177.6360 0.3 1 267 178 30 ARG CA C 58.5410 0.3 1 268 178 30 ARG CB C 29.6940 0.3 1 269 178 30 ARG CG C 27.5770 0.3 1 270 178 30 ARG CD C 43.4550 0.3 1 271 178 30 ARG N N 119.6510 0.2 1 272 179 31 LEU H H 8.2950 0.02 1 273 179 31 LEU HA H 4.1140 0.02 1 274 179 31 LEU HB2 H 3.2260 0.02 2 275 179 31 LEU HB3 H 3.2260 0.02 2 276 179 31 LEU HG H 1.6010 0.02 1 277 179 31 LEU HD1 H 0.9070 0.02 2 278 179 31 LEU HD2 H 0.8710 0.02 2 279 179 31 LEU C C 178.5860 0.3 1 280 179 31 LEU CA C 59.3090 0.3 1 281 179 31 LEU CB C 43.5040 0.3 1 282 179 31 LEU CG C 27.2400 0.3 1 283 179 31 LEU CD1 C 25.2100 0.3 2 284 179 31 LEU CD2 C 23.5630 0.3 2 285 179 31 LEU N N 119.2160 0.2 1 286 180 32 ARG H H 8.0590 0.02 1 287 180 32 ARG HA H 4.3130 0.02 1 288 180 32 ARG HB2 H 2.0960 0.02 2 289 180 32 ARG HB3 H 1.9440 0.02 2 290 180 32 ARG HG2 H 1.5990 0.02 2 291 180 32 ARG HG3 H 1.5990 0.02 2 292 180 32 ARG HD2 H 2.2920 0.02 2 293 180 32 ARG HD3 H 2.2920 0.02 2 294 180 32 ARG C C 179.0040 0.3 1 295 180 32 ARG CA C 57.2020 0.3 1 296 180 32 ARG CB C 29.9080 0.3 1 297 180 32 ARG CG C 27.6330 0.3 1 298 180 32 ARG CD C 36.1610 0.3 1 299 180 32 ARG N N 119.6810 0.2 1 300 181 33 GLN H H 8.1150 0.02 1 301 181 33 GLN HA H 4.3140 0.02 1 302 181 33 GLN HB2 H 2.1020 0.02 2 303 181 33 GLN HB3 H 1.9360 0.02 2 304 181 33 GLN HG2 H 2.2910 0.02 2 305 181 33 GLN HG3 H 2.2910 0.02 2 306 181 33 GLN HE21 H 6.7540 0.02 2 307 181 33 GLN HE22 H 7.4890 0.02 2 308 181 33 GLN C C 176.8760 0.3 1 309 181 33 GLN CA C 57.0570 0.3 1 310 181 33 GLN CB C 29.8290 0.3 1 311 181 33 GLN CG C 36.2570 0.3 1 312 181 33 GLN N N 119.6410 0.2 1 313 181 33 GLN NE2 N 111.5190 0.2 1 314 182 34 TYR H H 8.2560 0.02 1 315 182 34 TYR HA H 4.1420 0.02 1 316 182 34 TYR HB2 H 2.3060 0.02 2 317 182 34 TYR HB3 H 2.3060 0.02 2 318 182 34 TYR C C 177.7620 0.3 1 319 182 34 TYR CA C 58.3160 0.3 1 320 182 34 TYR CB C 36.9150 0.3 1 321 182 34 TYR N N 120.5030 0.2 1 322 183 35 ALA H H 8.2090 0.02 1 323 183 35 ALA HA H 4.1590 0.02 1 324 183 35 ALA HB H 1.5460 0.02 1 325 183 35 ALA C C 180.5130 0.3 1 326 183 35 ALA CA C 54.5970 0.3 1 327 183 35 ALA CB C 18.3090 0.3 1 328 183 35 ALA N N 123.0190 0.2 1 329 184 36 GLU H H 7.9480 0.02 1 330 184 36 GLU HA H 4.1380 0.02 1 331 184 36 GLU HB2 H 2.0470 0.02 2 332 184 36 GLU HB3 H 2.0470 0.02 2 333 184 36 GLU HG2 H 2.2990 0.02 2 334 184 36 GLU HG3 H 2.2990 0.02 2 335 184 36 GLU C C 179.9580 0.3 1 336 184 36 GLU CA C 58.2840 0.3 1 337 184 36 GLU CB C 29.6520 0.3 1 338 184 36 GLU CG C 36.2100 0.3 1 339 184 36 GLU N N 118.4060 0.2 1 340 185 37 LYS H H 7.9610 0.02 1 341 185 37 LYS C C 178.3910 0.3 1 342 185 37 LYS CA C 59.2080 0.3 1 343 185 37 LYS N N 119.8280 0.2 1 344 186 38 LYS H H 7.9070 0.02 1 345 186 38 LYS HA H 4.1580 0.02 1 346 186 38 LYS HB2 H 1.8800 0.02 2 347 186 38 LYS HB3 H 1.8800 0.02 2 348 186 38 LYS HG2 H 1.5950 0.02 2 349 186 38 LYS HG3 H 1.5950 0.02 2 350 186 38 LYS HD2 H 1.7110 0.02 2 351 186 38 LYS HD3 H 1.7110 0.02 2 352 186 38 LYS HE2 H 3.0220 0.02 2 353 186 38 LYS HE3 H 3.0220 0.02 2 354 186 38 LYS C C 177.2270 0.3 1 355 186 38 LYS CA C 57.4080 0.3 1 356 186 38 LYS CB C 32.7910 0.3 1 357 186 38 LYS CG C 24.9560 0.3 1 358 186 38 LYS CD C 29.1820 0.3 1 359 186 38 LYS CE C 42.2490 0.3 1 360 186 38 LYS N N 119.9290 0.2 1 361 187 39 ALA H H 7.8230 0.02 1 362 187 39 ALA HA H 4.2700 0.02 1 363 187 39 ALA HB H 1.4470 0.02 1 364 187 39 ALA C C 177.8610 0.3 1 365 187 39 ALA CA C 52.9830 0.3 1 366 187 39 ALA CB C 19.0420 0.3 1 367 187 39 ALA N N 122.5450 0.2 1 368 188 40 LYS H H 7.9230 0.02 1 369 188 40 LYS HA H 4.2930 0.02 1 370 188 40 LYS HB2 H 1.8710 0.02 2 371 188 40 LYS HB3 H 1.7950 0.02 2 372 188 40 LYS HG2 H 1.5230 0.02 2 373 188 40 LYS HG3 H 1.4580 0.02 2 374 188 40 LYS HD2 H 1.7040 0.02 2 375 188 40 LYS HD3 H 1.7040 0.02 2 376 188 40 LYS HE2 H 3.0150 0.02 2 377 188 40 LYS HE3 H 3.0150 0.02 2 378 188 40 LYS C C 176.4100 0.3 1 379 188 40 LYS CA C 56.2650 0.3 1 380 188 40 LYS CB C 32.9160 0.3 1 381 188 40 LYS CG C 24.8580 0.3 1 382 188 40 LYS CD C 29.1440 0.3 1 383 188 40 LYS CE C 42.2620 0.3 1 384 188 40 LYS N N 119.4970 0.2 1 385 189 41 LYS H H 8.1370 0.02 1 386 189 41 LYS HA H 4.6110 0.02 1 387 189 41 LYS HB2 H 1.8640 0.02 2 388 189 41 LYS HB3 H 1.7630 0.02 2 389 189 41 LYS HG2 H 1.5160 0.02 2 390 189 41 LYS HG3 H 1.4720 0.02 2 391 189 41 LYS HD2 H 1.7180 0.02 2 392 189 41 LYS HD3 H 1.7180 0.02 2 393 189 41 LYS HE2 H 3.0140 0.02 2 394 189 41 LYS HE3 H 3.0140 0.02 2 395 189 41 LYS C C 174.4450 0.3 1 396 189 41 LYS CA C 54.3200 0.3 1 397 189 41 LYS CB C 32.5150 0.3 1 398 189 41 LYS CG C 24.7590 0.3 1 399 189 41 LYS CD C 29.1680 0.3 1 400 189 41 LYS CE C 42.1600 0.3 1 401 189 41 LYS N N 123.8880 0.2 1 402 190 42 PRO HA H 4.4170 0.02 1 403 190 42 PRO HB2 H 2.3080 0.02 2 404 190 42 PRO HB3 H 2.3080 0.02 2 405 190 42 PRO HG2 H 2.0370 0.02 2 406 190 42 PRO HG3 H 2.0370 0.02 2 407 190 42 PRO HD2 H 3.8450 0.02 2 408 190 42 PRO HD3 H 3.6600 0.02 2 409 190 42 PRO CA C 63.1840 0.3 1 410 190 42 PRO CB C 32.1410 0.3 1 411 190 42 PRO CG C 27.4060 0.3 1 412 190 42 PRO CD C 50.6960 0.3 1 413 191 43 ALA H H 8.3650 0.02 1 414 191 43 ALA HB H 1.4020 0.02 1 415 191 43 ALA C C 176.6050 0.3 1 416 191 43 ALA CA C 52.2090 0.3 1 417 191 43 ALA CB C 19.1980 0.3 1 418 191 43 ALA N N 125.2030 0.2 1 419 192 44 LEU H H 7.7880 0.02 1 420 192 44 LEU HA H 4.1860 0.02 1 421 192 44 LEU HB2 H 1.5800 0.02 2 422 192 44 LEU HB3 H 1.5800 0.02 2 423 192 44 LEU HG H 1.5930 0.02 1 424 192 44 LEU HD1 H 0.8690 0.02 2 425 192 44 LEU HD2 H 0.9070 0.02 2 426 192 44 LEU CA C 56.6830 0.3 1 427 192 44 LEU CB C 43.5350 0.3 1 428 192 44 LEU CG C 27.2680 0.3 1 429 192 44 LEU CD1 C 23.7080 0.3 2 430 192 44 LEU CD2 C 25.1640 0.3 2 431 192 44 LEU N N 127.4340 0.2 1 stop_ save_