data_25275 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of eEF1Bdelta CAR domain ; _BMRB_accession_number 25275 _BMRB_flat_file_name bmr25275.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" 244 "13C chemical shifts" 173 "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 25276 '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' _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 25276 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 .02 .08 '[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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 HNCACB' '3D CBCA(CO)NH' '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 4.4750 0.02 1 2 150 2 PRO HB2 H 1.9880 0.02 2 3 150 2 PRO HB3 H 2.3150 0.02 2 4 150 2 PRO C C 177.5720 0.3 1 5 150 2 PRO CA C 63.5200 0.3 1 6 150 2 PRO CB C 32.1920 0.3 1 7 151 3 GLY H H 8.7730 0.02 1 8 151 3 GLY HA2 H 4.0360 0.02 2 9 151 3 GLY HA3 H 4.0360 0.02 2 10 151 3 GLY C C 174.3660 0.3 1 11 151 3 GLY CA C 45.2380 0.3 1 12 151 3 GLY N N 111.1460 0.2 1 13 152 4 SER H H 8.2440 0.02 1 14 152 4 SER HA H 4.5180 0.02 1 15 152 4 SER HB2 H 3.9080 0.02 2 16 152 4 SER HB3 H 3.9080 0.02 2 17 152 4 SER C C 174.3550 0.3 1 18 152 4 SER CA C 58.3110 0.3 1 19 152 4 SER CB C 64.0100 0.3 1 20 152 4 SER N N 115.8710 0.2 1 21 153 5 GLU H H 8.7220 0.02 1 22 153 5 GLU HA H 4.3090 0.02 1 23 153 5 GLU HB2 H 2.0920 0.02 2 24 153 5 GLU HB3 H 1.9310 0.02 2 25 153 5 GLU HG2 H 2.2770 0.02 2 26 153 5 GLU HG3 H 2.2770 0.02 2 27 153 5 GLU C C 176.4970 0.3 1 28 153 5 GLU CA C 57.1080 0.3 1 29 153 5 GLU CB C 29.8660 0.3 1 30 153 5 GLU CG C 36.2690 0.3 1 31 153 5 GLU N N 122.6470 0.2 1 32 154 6 ASP H H 8.2610 0.02 1 33 154 6 ASP HA H 4.5950 0.02 1 34 154 6 ASP HB2 H 2.5760 0.02 2 35 154 6 ASP HB3 H 2.7020 0.02 2 36 154 6 ASP C C 176.0550 0.3 1 37 154 6 ASP CA C 54.6420 0.3 1 38 154 6 ASP CB C 41.2530 0.3 1 39 154 6 ASP N N 120.2600 0.2 1 40 155 7 ASP H H 8.1600 0.02 1 41 155 7 ASP HA H 4.5560 0.02 1 42 155 7 ASP HB2 H 2.6260 0.02 2 43 155 7 ASP HB3 H 2.6260 0.02 2 44 155 7 ASP C C 176.1370 0.3 1 45 155 7 ASP CA C 54.6570 0.3 1 46 155 7 ASP CB C 41.3680 0.3 1 47 155 7 ASP N N 120.3950 0.2 1 48 156 8 ASP H H 8.2820 0.02 1 49 156 8 ASP HA H 4.6060 0.02 1 50 156 8 ASP HB2 H 2.6920 0.02 2 51 156 8 ASP HB3 H 2.5950 0.02 2 52 156 8 ASP C C 176.2500 0.3 1 53 156 8 ASP CA C 54.5790 0.3 1 54 156 8 ASP CB C 41.1600 0.3 1 55 156 8 ASP N N 120.6120 0.2 1 56 157 9 ILE H H 7.9220 0.02 1 57 157 9 ILE HA H 4.1000 0.02 1 58 157 9 ILE HB H 1.8440 0.02 1 59 157 9 ILE HG12 H 1.4230 0.02 2 60 157 9 ILE HG13 H 1.1540 0.02 2 61 157 9 ILE HG2 H 0.8610 0.02 1 62 157 9 ILE HD1 H 0.8500 0.02 1 63 157 9 ILE C C 175.9700 0.3 1 64 157 9 ILE CA C 61.5830 0.3 1 65 157 9 ILE CB C 39.0230 0.3 1 66 157 9 ILE CG1 C 27.3890 0.3 1 67 157 9 ILE CG2 C 17.5400 0.3 1 68 157 9 ILE CD1 C 13.2660 0.3 1 69 157 9 ILE N N 120.4930 0.2 1 70 158 10 ASP H H 8.3700 0.02 1 71 158 10 ASP HA H 4.5800 0.02 1 72 158 10 ASP HB2 H 2.5630 0.02 2 73 158 10 ASP HB3 H 2.6460 0.02 2 74 158 10 ASP C C 176.3890 0.3 1 75 158 10 ASP CA C 54.3530 0.3 1 76 158 10 ASP CB C 41.0600 0.3 1 77 158 10 ASP N N 123.9400 0.2 1 78 159 11 LEU H H 8.0960 0.02 1 79 159 11 LEU HA H 4.1860 0.02 1 80 159 11 LEU HB2 H 1.3090 0.02 2 81 159 11 LEU HB3 H 1.3920 0.02 2 82 159 11 LEU HG H 1.4490 0.02 1 83 159 11 LEU HD1 H 0.8330 0.02 2 84 159 11 LEU HD2 H 0.7570 0.02 2 85 159 11 LEU C C 177.4730 0.3 1 86 159 11 LEU CA C 55.4640 0.3 1 87 159 11 LEU CB C 42.2520 0.3 1 88 159 11 LEU CG C 26.7290 0.3 1 89 159 11 LEU CD1 C 24.8820 0.3 2 90 159 11 LEU CD2 C 23.3730 0.3 2 91 159 11 LEU N N 123.0210 0.2 1 92 160 12 PHE H H 8.2030 0.02 1 93 160 12 PHE HA H 4.6080 0.02 1 94 160 12 PHE HB2 H 3.0280 0.02 2 95 160 12 PHE HB3 H 3.2500 0.02 2 96 160 12 PHE C C 176.5330 0.3 1 97 160 12 PHE CA C 58.0000 0.3 1 98 160 12 PHE CB C 39.4560 0.3 1 99 160 12 PHE N N 119.5520 0.2 1 100 161 13 GLY H H 8.2520 0.02 1 101 161 13 GLY HA2 H 3.9610 0.02 2 102 161 13 GLY HA3 H 3.9610 0.02 2 103 161 13 GLY C C 174.2390 0.3 1 104 161 13 GLY CA C 45.5270 0.3 1 105 161 13 GLY N N 110.2030 0.2 1 106 162 14 SER H H 8.2640 0.02 1 107 162 14 SER HA H 4.4840 0.02 1 108 162 14 SER HB2 H 3.8700 0.02 2 109 162 14 SER HB3 H 3.8700 0.02 2 110 162 14 SER C C 174.4000 0.3 1 111 162 14 SER CA C 58.3370 0.3 1 112 162 14 SER CB C 64.0000 0.3 1 113 162 14 SER N N 115.6120 0.2 1 114 163 15 ASP H H 8.5060 0.02 1 115 163 15 ASP HA H 4.6130 0.02 1 116 163 15 ASP HB2 H 2.6660 0.02 2 117 163 15 ASP HB3 H 2.6660 0.02 2 118 163 15 ASP C C 175.9730 0.3 1 119 163 15 ASP CA C 54.5190 0.3 1 120 163 15 ASP CB C 41.0590 0.3 1 121 163 15 ASP N N 122.1500 0.2 1 122 164 16 ASN H H 8.3410 0.02 1 123 164 16 ASN HA H 4.7080 0.02 1 124 164 16 ASN HB2 H 2.8370 0.02 2 125 164 16 ASN HB3 H 2.7200 0.02 2 126 164 16 ASN HD21 H 6.9210 0.02 2 127 164 16 ASN HD22 H 7.6060 0.02 2 128 164 16 ASN C C 175.2980 0.3 1 129 164 16 ASN CA C 53.4620 0.3 1 130 164 16 ASN CB C 39.1870 0.3 1 131 164 16 ASN N N 118.7680 0.2 1 132 164 16 ASN ND2 N 113.1810 0.2 1 133 165 17 GLU H H 8.4580 0.02 1 134 165 17 GLU HA H 4.2440 0.02 1 135 165 17 GLU HB2 H 1.9600 0.02 2 136 165 17 GLU HB3 H 2.0610 0.02 2 137 165 17 GLU HG2 H 2.2730 0.02 2 138 165 17 GLU HG3 H 2.2730 0.02 2 139 165 17 GLU C C 176.8040 0.3 1 140 165 17 GLU CA C 57.1360 0.3 1 141 165 17 GLU CB C 30.2110 0.3 1 142 165 17 GLU CG C 36.2920 0.3 1 143 165 17 GLU N N 121.5250 0.2 1 144 166 18 GLU H H 8.4100 0.02 1 145 166 18 GLU HA H 4.2440 0.02 1 146 166 18 GLU HB2 H 2.0510 0.02 2 147 166 18 GLU HB3 H 1.9420 0.02 2 148 166 18 GLU HG2 H 2.2660 0.02 2 149 166 18 GLU HG3 H 2.2660 0.02 2 150 166 18 GLU C C 176.7810 0.3 1 151 166 18 GLU CA C 57.1640 0.3 1 152 166 18 GLU CB C 30.4070 0.3 1 153 166 18 GLU CG C 36.3760 0.3 1 154 166 18 GLU N N 121.2850 0.2 1 155 167 19 GLU H H 8.3510 0.02 1 156 167 19 GLU HA H 4.2170 0.02 1 157 167 19 GLU HB2 H 1.9960 0.02 2 158 167 19 GLU HB3 H 1.9960 0.02 2 159 167 19 GLU HG2 H 2.2780 0.02 2 160 167 19 GLU HG3 H 2.2780 0.02 2 161 167 19 GLU C C 176.4970 0.3 1 162 167 19 GLU CA C 57.1870 0.3 1 163 167 19 GLU CB C 30.5030 0.3 1 164 167 19 GLU CG C 36.3300 0.3 1 165 167 19 GLU N N 122.0260 0.2 1 166 168 20 ASP H H 8.3740 0.02 1 167 168 20 ASP HA H 4.6160 0.02 1 168 168 20 ASP HB2 H 2.7620 0.02 2 169 168 20 ASP HB3 H 2.7620 0.02 2 170 168 20 ASP C C 176.8840 0.3 1 171 168 20 ASP CA C 54.3040 0.3 1 172 168 20 ASP CB C 41.3630 0.3 1 173 168 20 ASP N N 121.9510 0.2 1 174 169 21 LYS H H 8.4090 0.02 1 175 169 21 LYS HA H 4.1390 0.02 1 176 169 21 LYS HB2 H 1.8710 0.02 2 177 169 21 LYS HB3 H 1.8710 0.02 2 178 169 21 LYS HG2 H 1.5130 0.02 2 179 169 21 LYS HG3 H 1.4440 0.02 2 180 169 21 LYS HD2 H 1.6900 0.02 2 181 169 21 LYS HD3 H 1.6900 0.02 2 182 169 21 LYS HE2 H 3.0080 0.02 2 183 169 21 LYS HE3 H 3.0080 0.02 2 184 169 21 LYS C C 178.3040 0.3 1 185 169 21 LYS CA C 58.3780 0.3 1 186 169 21 LYS CB C 32.5560 0.3 1 187 169 21 LYS CG C 24.8720 0.3 1 188 169 21 LYS CD C 29.1270 0.3 1 189 169 21 LYS CE C 42.1870 0.3 1 190 169 21 LYS N N 123.1590 0.2 1 191 170 22 GLU H H 8.3510 0.02 1 192 170 22 GLU HA H 4.1390 0.02 1 193 170 22 GLU HB2 H 2.0860 0.02 2 194 170 22 GLU HB3 H 2.0860 0.02 2 195 170 22 GLU HG2 H 2.2890 0.02 2 196 170 22 GLU HG3 H 2.2890 0.02 2 197 170 22 GLU C C 178.1060 0.3 1 198 170 22 GLU CA C 58.3080 0.3 1 199 170 22 GLU CB C 29.5250 0.3 1 200 170 22 GLU CG C 36.3610 0.3 1 201 170 22 GLU N N 120.4880 0.2 1 202 171 23 ALA H H 8.1240 0.02 1 203 171 23 ALA HA H 4.1480 0.02 1 204 171 23 ALA HB H 1.4670 0.02 1 205 171 23 ALA C C 180.0200 0.3 1 206 171 23 ALA CA C 54.3560 0.3 1 207 171 23 ALA CB C 18.4970 0.3 1 208 171 23 ALA N N 123.5720 0.2 1 209 172 24 ALA H H 8.2610 0.02 1 210 172 24 ALA HA H 4.1130 0.02 1 211 172 24 ALA HB H 1.4750 0.02 1 212 172 24 ALA C C 179.7710 0.3 1 213 172 24 ALA CA C 54.7550 0.3 1 214 172 24 ALA CB C 18.4080 0.3 1 215 172 24 ALA N N 121.8680 0.2 1 216 173 25 GLN H H 8.1050 0.02 1 217 173 25 GLN HA H 4.1390 0.02 1 218 173 25 GLN HB2 H 2.1620 0.02 2 219 173 25 GLN HB3 H 2.1620 0.02 2 220 173 25 GLN HG2 H 2.5050 0.02 2 221 173 25 GLN HG3 H 2.4100 0.02 2 222 173 25 GLN HE21 H 6.8630 0.02 2 223 173 25 GLN HE22 H 7.5970 0.02 2 224 173 25 GLN C C 178.1950 0.3 1 225 173 25 GLN CA C 58.2510 0.3 1 226 173 25 GLN CB C 28.3960 0.3 1 227 173 25 GLN CG C 33.8850 0.3 1 228 173 25 GLN N N 118.3330 0.2 1 229 173 25 GLN NE2 N 112.0690 0.2 1 230 174 26 LEU H H 7.9020 0.02 1 231 174 26 LEU HA H 4.1920 0.02 1 232 174 26 LEU HB2 H 1.7830 0.02 2 233 174 26 LEU HB3 H 1.6220 0.02 2 234 174 26 LEU HG H 1.7000 0.02 1 235 174 26 LEU HD1 H 0.9240 0.02 2 236 174 26 LEU HD2 H 0.8820 0.02 2 237 174 26 LEU C C 178.9720 0.3 1 238 174 26 LEU CA C 57.3130 0.3 1 239 174 26 LEU CB C 41.7320 0.3 1 240 174 26 LEU CG C 27.1230 0.3 1 241 174 26 LEU CD1 C 24.9030 0.3 2 242 174 26 LEU CD2 C 23.5190 0.3 2 243 174 26 LEU N N 121.0000 0.2 1 244 175 27 ARG H H 8.0170 0.02 1 245 175 27 ARG HA H 4.0460 0.02 1 246 175 27 ARG HB2 H 1.9320 0.02 2 247 175 27 ARG HG2 H 1.7540 0.02 2 248 175 27 ARG HG3 H 1.6130 0.02 2 249 175 27 ARG HD2 H 3.2240 0.02 2 250 175 27 ARG HD3 H 3.2240 0.02 2 251 175 27 ARG C C 178.1770 0.3 1 252 175 27 ARG CA C 59.1820 0.3 1 253 175 27 ARG CB C 30.1960 0.3 1 254 175 27 ARG CG C 27.5130 0.3 1 255 175 27 ARG CD C 43.4400 0.3 1 256 175 27 ARG N N 120.3540 0.2 1 257 176 28 GLU H H 8.1520 0.02 1 258 176 28 GLU HA H 4.0520 0.02 1 259 176 28 GLU HB2 H 2.1100 0.02 2 260 176 28 GLU HB3 H 1.9280 0.02 2 261 176 28 GLU HG2 H 2.2890 0.02 2 262 176 28 GLU HG3 H 2.2890 0.02 2 263 176 28 GLU C C 178.8020 0.3 1 264 176 28 GLU CA C 59.2220 0.3 1 265 176 28 GLU CB C 29.6940 0.3 1 266 176 28 GLU CG C 36.2880 0.3 1 267 176 28 GLU N N 119.1010 0.2 1 268 177 29 GLU H H 8.1510 0.02 1 269 177 29 GLU HA H 4.1130 0.02 1 270 177 29 GLU HB2 H 2.1280 0.02 2 271 177 29 GLU HB3 H 2.1280 0.02 2 272 177 29 GLU HG2 H 2.2950 0.02 2 273 177 29 GLU HG3 H 2.2950 0.02 2 274 177 29 GLU C C 178.5590 0.3 1 275 177 29 GLU CA C 59.0100 0.3 1 276 177 29 GLU CB C 29.4980 0.3 1 277 177 29 GLU CG C 36.2180 0.3 1 278 177 29 GLU N N 120.3810 0.2 1 279 178 30 ARG H H 8.1460 0.02 1 280 178 30 ARG HA H 4.0980 0.02 1 281 178 30 ARG HB2 H 1.9150 0.02 2 282 178 30 ARG HG2 H 1.6020 0.02 2 283 178 30 ARG HG3 H 1.7440 0.02 2 284 178 30 ARG HD2 H 3.2260 0.02 2 285 178 30 ARG HD3 H 3.2260 0.02 2 286 178 30 ARG C C 178.7090 0.3 1 287 178 30 ARG CA C 58.7440 0.3 1 288 178 30 ARG CB C 30.0530 0.3 1 289 178 30 ARG CG C 27.5780 0.3 1 290 178 30 ARG CD C 43.5210 0.3 1 291 178 30 ARG N N 120.0720 0.2 1 292 179 31 LEU H H 8.0770 0.02 1 293 179 31 LEU HA H 4.1790 0.02 1 294 179 31 LEU HB2 H 1.8480 0.02 2 295 179 31 LEU HB3 H 1.6140 0.02 2 296 179 31 LEU HG H 1.7720 0.02 1 297 179 31 LEU HD1 H 0.9200 0.02 2 298 179 31 LEU HD2 H 0.8830 0.02 2 299 179 31 LEU C C 179.3700 0.3 1 300 179 31 LEU CA C 57.3610 0.3 1 301 179 31 LEU CB C 41.8310 0.3 1 302 179 31 LEU CG C 27.1960 0.3 1 303 179 31 LEU CD1 C 25.1370 0.3 2 304 179 31 LEU CD2 C 23.3710 0.3 2 305 179 31 LEU N N 120.0720 0.2 1 306 180 32 ARG H H 8.0080 0.02 1 307 180 32 ARG HA H 4.1550 0.02 1 308 180 32 ARG HB2 H 1.9400 0.02 2 309 180 32 ARG HB3 H 1.9400 0.02 2 310 180 32 ARG HG2 H 1.6070 0.02 2 311 180 32 ARG HG3 H 1.7670 0.02 2 312 180 32 ARG HD2 H 2.2920 0.02 2 313 180 32 ARG HD3 H 2.2920 0.02 2 314 180 32 ARG C C 178.2070 0.3 1 315 180 32 ARG CA C 58.6020 0.3 1 316 180 32 ARG CB C 30.1570 0.3 1 317 180 32 ARG CG C 27.6400 0.3 1 318 180 32 ARG CD C 36.3350 0.3 1 319 180 32 ARG N N 120.6740 0.2 1 320 181 33 GLN H H 8.1360 0.02 1 321 181 33 GLN HA H 4.1390 0.02 1 322 181 33 GLN HB2 H 2.0590 0.02 2 323 181 33 GLN HB3 H 2.0590 0.02 2 324 181 33 GLN HG2 H 2.3110 0.02 2 325 181 33 GLN HG3 H 2.4540 0.02 2 326 181 33 GLN HE21 H 6.8240 0.02 2 327 181 33 GLN HE22 H 7.5770 0.02 2 328 181 33 GLN C C 177.7010 0.3 1 329 181 33 GLN CA C 57.7850 0.3 1 330 181 33 GLN CB C 28.7210 0.3 1 331 181 33 GLN CG C 33.8930 0.3 1 332 181 33 GLN N N 118.9660 0.2 1 333 181 33 GLN NE2 N 111.9640 0.2 1 334 182 34 TYR H H 8.0990 0.02 1 335 182 34 TYR HA H 4.4170 0.02 1 336 182 34 TYR HB2 H 3.1250 0.02 2 337 182 34 TYR HB3 H 3.1250 0.02 1 338 182 34 TYR C C 176.8430 0.3 1 339 182 34 TYR CA C 59.4800 0.3 1 340 182 34 TYR CB C 38.3830 0.3 1 341 182 34 TYR N N 120.0720 0.2 1 342 183 35 ALA H H 8.0370 0.02 1 343 183 35 ALA HA H 4.1640 0.02 1 344 183 35 ALA HB H 1.4780 0.02 1 345 183 35 ALA C C 179.0810 0.3 1 346 183 35 ALA CA C 53.9220 0.3 1 347 183 35 ALA CB C 18.8040 0.3 1 348 183 35 ALA N N 123.0520 0.2 1 349 184 36 GLU H H 8.1360 0.02 1 350 184 36 GLU HA H 4.1560 0.02 1 351 184 36 GLU HB2 H 2.0640 0.02 2 352 184 36 GLU HB3 H 2.0640 0.02 2 353 184 36 GLU HG2 H 2.3050 0.02 2 354 184 36 GLU HG3 H 2.3050 0.02 2 355 184 36 GLU C C 177.5720 0.3 1 356 184 36 GLU CA C 57.7760 0.3 1 357 184 36 GLU CB C 30.1500 0.3 1 358 184 36 GLU CG C 36.4020 0.3 1 359 184 36 GLU N N 118.9660 0.2 1 360 185 37 LYS H H 8.0230 0.02 1 361 185 37 LYS HA H 4.1890 0.02 1 362 185 37 LYS HB2 H 1.7370 0.02 2 363 185 37 LYS HB3 H 1.8440 0.02 2 364 185 37 LYS HG2 H 1.5060 0.02 2 365 185 37 LYS HG3 H 1.4340 0.02 2 366 185 37 LYS HD2 H 1.6810 0.02 2 367 185 37 LYS HD3 H 1.6810 0.02 2 368 185 37 LYS HE2 H 3.0040 0.02 2 369 185 37 LYS HE3 H 3.0040 0.02 2 370 185 37 LYS C C 177.4770 0.3 1 371 185 37 LYS CA C 57.4140 0.3 1 372 185 37 LYS CB C 32.6080 0.3 1 373 185 37 LYS CG C 24.8860 0.3 1 374 185 37 LYS CD C 29.1470 0.3 1 375 185 37 LYS CE C 42.1830 0.3 1 376 185 37 LYS N N 120.7440 0.2 1 377 186 38 LYS H H 8.0120 0.02 1 378 186 38 LYS HA H 4.1940 0.02 1 379 186 38 LYS HB2 H 1.7090 0.02 2 380 186 38 LYS HB3 H 1.8000 0.02 2 381 186 38 LYS HG2 H 1.4950 0.02 2 382 186 38 LYS HG3 H 1.4260 0.02 2 383 186 38 LYS HD2 H 1.6460 0.02 2 384 186 38 LYS HD3 H 1.6460 0.02 2 385 186 38 LYS HE2 H 3.0100 0.02 2 386 186 38 LYS HE3 H 3.0100 0.02 2 387 186 38 LYS C C 176.6570 0.3 1 388 186 38 LYS CA C 56.4100 0.3 1 389 186 38 LYS CB C 32.6570 0.3 1 390 186 38 LYS CG C 24.8420 0.3 1 391 186 38 LYS CD C 29.1410 0.3 1 392 186 38 LYS CE C 42.3230 0.3 1 393 186 38 LYS N N 120.7440 0.2 1 394 187 39 ALA H H 7.9790 0.02 1 395 187 39 ALA HA H 4.2810 0.02 1 396 187 39 ALA HB H 1.4020 0.02 1 397 187 39 ALA C C 177.6450 0.3 1 398 187 39 ALA CA C 52.5820 0.3 1 399 187 39 ALA CB C 19.2110 0.3 1 400 187 39 ALA N N 123.6900 0.2 1 401 188 40 LYS H H 8.0860 0.02 1 402 188 40 LYS HA H 4.2650 0.02 1 403 188 40 LYS HB2 H 1.8100 0.02 2 404 188 40 LYS HB3 H 1.7440 0.02 2 405 188 40 LYS HG2 H 1.5010 0.02 2 406 188 40 LYS HG3 H 1.4390 0.02 2 407 188 40 LYS HD2 H 1.6900 0.02 2 408 188 40 LYS HD3 H 1.6900 0.02 2 409 188 40 LYS HE2 H 3.0070 0.02 2 410 188 40 LYS HE3 H 3.0070 0.02 2 411 188 40 LYS C C 176.3890 0.3 1 412 188 40 LYS CA C 56.2750 0.3 1 413 188 40 LYS CB C 33.1100 0.3 1 414 188 40 LYS CG C 24.8580 0.3 1 415 188 40 LYS CD C 29.1200 0.3 1 416 188 40 LYS CE C 42.2090 0.3 1 417 188 40 LYS N N 120.4850 0.2 1 418 189 41 LYS H H 8.2820 0.02 1 419 189 41 LYS HA H 4.5950 0.02 1 420 189 41 LYS HB2 H 1.8480 0.02 2 421 189 41 LYS HB3 H 1.7560 0.02 2 422 189 41 LYS HG2 H 1.4990 0.02 2 423 189 41 LYS HG3 H 1.4280 0.02 2 424 189 41 LYS HD2 H 1.6940 0.02 2 425 189 41 LYS HD3 H 1.6940 0.02 2 426 189 41 LYS HE2 H 3.0070 0.02 2 427 189 41 LYS HE3 H 3.0070 0.02 2 428 189 41 LYS C C 174.4740 0.3 1 429 189 41 LYS CA C 54.3100 0.3 1 430 189 41 LYS CB C 32.5840 0.3 1 431 189 41 LYS CG C 24.8830 0.3 1 432 189 41 LYS CD C 29.1380 0.3 1 433 189 41 LYS CE C 42.1950 0.3 1 434 189 41 LYS N N 124.3740 0.2 1 435 190 42 PRO HA H 4.3750 0.02 1 436 190 42 PRO HB2 H 1.9010 0.02 2 437 190 42 PRO HB3 H 2.3040 0.02 2 438 190 42 PRO C C 176.3360 0.3 1 439 190 42 PRO CA C 63.0220 0.3 1 440 190 42 PRO CB C 32.2090 0.3 1 441 191 43 ALA H H 8.3790 0.02 1 442 191 43 ALA HA H 4.3430 0.02 1 443 191 43 ALA HB H 1.3860 0.02 1 444 191 43 ALA C C 176.6060 0.3 1 445 191 43 ALA CA C 52.3580 0.3 1 446 191 43 ALA CB C 19.1690 0.3 1 447 191 43 ALA N N 125.2220 0.2 1 448 192 44 LEU H H 7.8030 0.02 1 449 192 44 LEU HA H 4.1820 0.02 1 450 192 44 LEU HB2 H 1.5790 0.02 2 451 192 44 LEU HB3 H 1.5790 0.02 2 452 192 44 LEU HG H 1.5790 0.02 1 453 192 44 LEU HD1 H 0.9100 0.02 2 454 192 44 LEU HD2 H 0.8720 0.02 2 455 192 44 LEU C C 182.5130 0.3 1 456 192 44 LEU CA C 56.8050 0.3 1 457 192 44 LEU CB C 43.5070 0.3 1 458 192 44 LEU CG C 27.2880 0.3 1 459 192 44 LEU CD1 C 25.2790 0.3 2 460 192 44 LEU CD2 C 23.7490 0.3 2 461 192 44 LEU N N 127.4370 0.2 1 stop_ save_