data_18832 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of DOCK180 ; _BMRB_accession_number 18832 _BMRB_flat_file_name bmr18832.str _Entry_type original _Submission_date 2012-11-08 _Accession_date 2012-11-08 _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 Liu Xiangrong . . 2 Wen Wenyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 419 "13C chemical shifts" 212 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-12 update BMRB 'update entry citation' 2012-08-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the SH3 domain of DOCK180.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23239367 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Xiangrong . . 2 Li Fengjuan . . 3 Pan Zhu . . 4 Wang Wenning . . 5 Wen Wenyu . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 81 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 906 _Page_last 910 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SH3 domain of DOCK180' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain of DOCK180' $DOCK180 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_DOCK180 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8659.928 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MTRWVPTKREEKYGVAFYNY DARGADELSLQIGDTVHILE TYEGWYRGYTLRKKSKKGIF PASYIHLKEAIVEG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ARG 4 TRP 5 VAL 6 PRO 7 THR 8 LYS 9 ARG 10 GLU 11 GLU 12 LYS 13 TYR 14 GLY 15 VAL 16 ALA 17 PHE 18 TYR 19 ASN 20 TYR 21 ASP 22 ALA 23 ARG 24 GLY 25 ALA 26 ASP 27 GLU 28 LEU 29 SER 30 LEU 31 GLN 32 ILE 33 GLY 34 ASP 35 THR 36 VAL 37 HIS 38 ILE 39 LEU 40 GLU 41 THR 42 TYR 43 GLU 44 GLY 45 TRP 46 TYR 47 ARG 48 GLY 49 TYR 50 THR 51 LEU 52 ARG 53 LYS 54 LYS 55 SER 56 LYS 57 LYS 58 GLY 59 ILE 60 PHE 61 PRO 62 ALA 63 SER 64 TYR 65 ILE 66 HIS 67 LEU 68 LYS 69 GLU 70 ALA 71 ILE 72 VAL 73 GLU 74 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 18327 SH3 100.00 74 100.00 100.00 6.99e-46 PDB 2M0Y "Solution Structure Of The Sh3 Domain Of Dock180" 100.00 74 100.00 100.00 6.99e-46 DBJ BAA09454 "DOCK180 protein [Homo sapiens]" 100.00 1865 100.00 100.00 5.25e-43 DBJ BAC38645 "unnamed protein product [Mus musculus]" 100.00 289 100.00 100.00 7.88e-45 DBJ BAE24599 "unnamed protein product [Mus musculus]" 100.00 289 100.00 100.00 6.71e-45 GB AAI46858 "Dedicator of cytokinesis 1 [Homo sapiens]" 100.00 1865 100.00 100.00 5.30e-43 GB EDL17793 "mCG125673, isoform CRA_a [Mus musculus]" 100.00 956 100.00 100.00 8.01e-43 GB EDL17794 "mCG125673, isoform CRA_b [Mus musculus]" 100.00 1862 100.00 100.00 4.32e-43 GB EDL17796 "mCG125673, isoform CRA_d [Mus musculus]" 100.00 1049 100.00 100.00 1.35e-43 GB EDL17797 "mCG125673, isoform CRA_e [Mus musculus]" 100.00 713 100.00 100.00 4.01e-43 REF NP_001028592 "dedicator of cytokinesis protein 1 [Mus musculus]" 100.00 1865 100.00 100.00 4.33e-43 REF NP_001137330 "dedicator of cytokinesis protein 1 [Rattus norvegicus]" 100.00 1864 100.00 100.00 3.85e-43 REF NP_001277152 "dedicator of cytokinesis protein 1 isoform 1 [Homo sapiens]" 100.00 1886 100.00 100.00 4.36e-43 REF NP_001371 "dedicator of cytokinesis protein 1 isoform 2 [Homo sapiens]" 100.00 1865 100.00 100.00 5.25e-43 REF XP_001089124 "PREDICTED: dedicator of cytokinesis protein 1 [Macaca mulatta]" 79.73 1021 100.00 100.00 4.05e-32 SP Q14185 "RecName: Full=Dedicator of cytokinesis protein 1; AltName: Full=180 kDa protein downstream of CRK; Short=DOCK180" 100.00 1865 100.00 100.00 5.10e-43 SP Q8BUR4 "RecName: Full=Dedicator of cytokinesis protein 1; AltName: Full=180 kDa protein downstream of CRK; Short=DOCK180" 100.00 1865 100.00 100.00 4.33e-43 TPG DAA14676 "TPA: dedicator of cytokinesis 1 [Bos taurus]" 78.38 2071 98.28 98.28 2.02e-30 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DOCK180 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $DOCK180 'recombinant technology' . Escherichia coli . pGEX-4T-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SH3-1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DOCK180 0.4 mM '[U-100% 15N]' PBS 50 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_SH3-2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DOCK180 0.4 mM '[U-100% 13C; U-100% 15N]' PBS 50 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_SH3-3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DOCK180 0.4 mM '[U-100% 13C; U-100% 15N]' PBS 50 mM 'natural abundance' DTT 1 mM '[U-100% 2H]' EDTA 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_SH3-4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DOCK180 0.4 mM 'natural abundance' PBS 50 mM 'natural abundance' DTT 1 mM '[U-100% 2H]' EDTA 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _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 $SH3-1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $SH3-1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $SH3-2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $SH3-2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $SH3-2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $SH3-2 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $SH3-3 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $SH3-3 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $SH3-4 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $SH3-4 save_ ####################### # Sample conditions # ####################### save_sample_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . 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_shif _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $SH3-1 $SH3-2 $SH3-3 $SH3-4 stop_ _Sample_conditions_label $sample_condition _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'SH3 domain of DOCK180' _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 HE H 1.9900 . . 2 1 1 MET CE C 16.4600 . . 3 2 2 THR H H 8.1500 . . 4 2 2 THR HA H 4.1200 . . 5 2 2 THR HB H 3.9800 . . 6 2 2 THR HG2 H 0.9660 . . 7 2 2 THR CA C 62.1000 . . 8 2 2 THR CB C 69.4400 . . 9 2 2 THR CG2 C 21.4900 . . 10 2 2 THR N N 116.4000 . . 11 3 3 ARG HA H 4.3100 . . 12 3 3 ARG HB2 H 1.5800 . . 13 3 3 ARG HB3 H 1.6200 . . 14 3 3 ARG HG2 H 1.4100 . . 15 3 3 ARG HG3 H 1.4100 . . 16 3 3 ARG HD2 H 3.0600 . . 17 3 3 ARG HD3 H 3.0600 . . 18 3 3 ARG CA C 55.7500 . . 19 3 3 ARG CB C 30.6200 . . 20 3 3 ARG CG C 26.9000 . . 21 3 3 ARG CD C 43.1700 . . 22 4 4 TRP H H 8.1080 . . 23 4 4 TRP HA H 4.4800 . . 24 4 4 TRP HB2 H 2.9500 . . 25 4 4 TRP HB3 H 3.0300 . . 26 4 4 TRP HD1 H 7.11 . . 27 4 4 TRP HE1 H 10.0 . . 28 4 4 TRP HE3 H 7.2700 . . 29 4 4 TRP HZ2 H 7.2620 . . 30 4 4 TRP HZ3 H 6.8660 . . 31 4 4 TRP HH2 H 6.9170 . . 32 4 4 TRP CA C 57.5600 . . 33 4 4 TRP CB C 29.4900 . . 34 4 4 TRP N N 123.3000 . . 35 4 4 TRP NE1 N 129.22 . . 36 5 5 VAL HA H 4.5700 . . 37 5 5 VAL HB H 2.0700 . . 38 5 5 VAL HG1 H 0.9100 . . 39 5 5 VAL HG2 H 0.9600 . . 40 5 5 VAL CB C 30.8400 . . 41 5 5 VAL CG1 C 20.1800 . . 42 5 5 VAL CG2 C 20.9300 . . 43 6 6 PRO HA H 4.8100 . . 44 6 6 PRO HB2 H 2.3300 . . 45 6 6 PRO HB3 H 1.8900 . . 46 6 6 PRO HG2 H 2.0100 . . 47 6 6 PRO HG3 H 2.0600 . . 48 6 6 PRO HD2 H 3.6700 . . 49 6 6 PRO HD3 H 3.6700 . . 50 6 6 PRO CB C 32.2100 . . 51 6 6 PRO CG C 27.6400 . . 52 6 6 PRO CD C 50.7600 . . 53 7 7 THR HA H 4.2700 . . 54 7 7 THR HB H 4.2300 . . 55 7 7 THR HG2 H 1.1200 . . 56 7 7 THR CA C 60.8900 . . 57 7 7 THR CB C 70.1400 . . 58 7 7 THR CG2 C 23.0600 . . 59 8 8 LYS HA H 4.4400 . . 60 8 8 LYS HB2 H 1.5500 . . 61 8 8 LYS HB3 H 1.5500 . . 62 8 8 LYS HG2 H 1.2100 . . 63 8 8 LYS HG3 H 1.2800 . . 64 8 8 LYS HD2 H 1.4900 . . 65 8 8 LYS HD3 H 1.5900 . . 66 8 8 LYS HE2 H 2.7700 . . 67 8 8 LYS HE3 H 2.8500 . . 68 8 8 LYS CA C 55.9800 . . 69 8 8 LYS CB C 35.0500 . . 70 8 8 LYS CG C 24.6500 . . 71 8 8 LYS CD C 29.1300 . . 72 8 8 LYS CE C 41.9200 . . 73 10 10 GLU HA H 4.5800 . . 74 10 10 GLU HB2 H 1.8600 . . 75 10 10 GLU HB3 H 2.0300 . . 76 10 10 GLU HG2 H 2.3000 . . 77 10 10 GLU HG3 H 2.3000 . . 78 10 10 GLU CA C 55.5700 . . 79 10 10 GLU CB C 30.7800 . . 80 10 10 GLU CG C 36.7400 . . 81 11 11 GLU H H 8.2710 . . 82 11 11 GLU HA H 4.3400 . . 83 11 11 GLU HB2 H 1.9600 . . 84 11 11 GLU HB3 H 2.0700 . . 85 11 11 GLU HG2 H 2.2600 . . 86 11 11 GLU HG3 H 2.2600 . . 87 11 11 GLU CA C 57.1400 . . 88 11 11 GLU CB C 29.4000 . . 89 11 11 GLU CG C 36.5000 . . 90 11 11 GLU N N 122.5000 . . 91 12 12 LYS HA H 4.3800 . . 92 12 12 LYS HB2 H 1.7100 . . 93 12 12 LYS HB3 H 1.9900 . . 94 12 12 LYS HG2 H 1.4700 . . 95 12 12 LYS HG3 H 1.4700 . . 96 12 12 LYS HD2 H 1.7000 . . 97 12 12 LYS HD3 H 1.7000 . . 98 12 12 LYS HE2 H 2.9800 . . 99 12 12 LYS HE3 H 2.9800 . . 100 12 12 LYS CA C 55.7900 . . 101 12 12 LYS CB C 33.6000 . . 102 12 12 LYS CG C 25.4000 . . 103 12 12 LYS CD C 29.1300 . . 104 12 12 LYS CE C 41.9200 . . 105 13 13 TYR HA H 5.5600 . . 106 13 13 TYR HB2 H 2.7400 . . 107 13 13 TYR HB3 H 2.8900 . . 108 13 13 TYR HD1 H 7.0110 . . 109 13 13 TYR HD2 H 7.0110 . . 110 13 13 TYR HE1 H 6.5560 . . 111 13 13 TYR HE2 H 6.5560 . . 112 13 13 TYR CA C 55.8600 . . 113 13 13 TYR CB C 42.4400 . . 114 14 14 GLY H H 8.4010 . . 115 14 14 GLY HA2 H 3.5660 . . 116 14 14 GLY HA3 H 4.7990 . . 117 14 14 GLY CA C 45.2400 . . 118 14 14 GLY N N 105.3200 . . 119 15 15 VAL H H 8.8510 . . 120 15 15 VAL HA H 5.3410 . . 121 15 15 VAL HB H 1.9570 . . 122 15 15 VAL HG1 H 0.9500 . . 123 15 15 VAL HG2 H 0.9800 . . 124 15 15 VAL CA C 59.2100 . . 125 15 15 VAL CB C 35.7400 . . 126 15 15 VAL CG1 C 20.6400 . . 127 15 15 VAL CG2 C 21.3800 . . 128 15 15 VAL N N 118.9000 . . 129 16 16 ALA H H 9.1130 . . 130 16 16 ALA HA H 5.0000 . . 131 16 16 ALA HB H 1.4800 . . 132 16 16 ALA CA C 52.0000 . . 133 16 16 ALA CB C 19.3300 . . 134 16 16 ALA N N 129.4600 . . 135 17 17 PHE H H 8.7870 . . 136 17 17 PHE HA H 4.8010 . . 137 17 17 PHE HB2 H 2.4300 . . 138 17 17 PHE HB3 H 2.8900 . . 139 17 17 PHE HD1 H 6.6600 . . 140 17 17 PHE HD2 H 6.6600 . . 141 17 17 PHE HE1 H 6.9870 . . 142 17 17 PHE HE2 H 6.9870 . . 143 17 17 PHE HZ H 7.1540 . . 144 17 17 PHE CA C 56.2300 . . 145 17 17 PHE CB C 40.0000 . . 146 17 17 PHE N N 124.0700 . . 147 18 18 TYR H H 7.2810 . . 148 18 18 TYR HA H 4.4830 . . 149 18 18 TYR HB2 H 2.2270 . . 150 18 18 TYR HB3 H 2.7730 . . 151 18 18 TYR HD1 H 6.7500 . . 152 18 18 TYR HD2 H 6.7500 . . 153 18 18 TYR HE1 H 6.7670 . . 154 18 18 TYR HE2 H 6.7670 . . 155 18 18 TYR CA C 55.3000 . . 156 18 18 TYR CB C 42.8100 . . 157 18 18 TYR N N 118.2100 . . 158 19 19 ASN H H 8.1340 . . 159 19 19 ASN HA H 4.7100 . . 160 19 19 ASN HB2 H 2.6400 . . 161 19 19 ASN HB3 H 2.7680 . . 162 19 19 ASN CA C 52.9400 . . 163 19 19 ASN CB C 39.0600 . . 164 19 19 ASN N N 116.8000 . . 165 20 20 TYR H H 8.9930 . . 166 20 20 TYR HA H 4.6870 . . 167 20 20 TYR HB2 H 2.5320 . . 168 20 20 TYR HB3 H 2.7620 . . 169 20 20 TYR HD1 H 7.1190 . . 170 20 20 TYR HD2 H 7.1190 . . 171 20 20 TYR HE1 H 6.9290 . . 172 20 20 TYR HE2 H 6.9290 . . 173 20 20 TYR CA C 57.7200 . . 174 20 20 TYR CB C 42.2500 . . 175 20 20 TYR N N 122.1900 . . 176 21 21 ASP H H 7.8380 . . 177 21 21 ASP HA H 4.7900 . . 178 21 21 ASP HB2 H 2.2470 . . 179 21 21 ASP HB3 H 2.3700 . . 180 21 21 ASP CA C 52.3700 . . 181 21 21 ASP CB C 41.1300 . . 182 21 21 ASP N N 128.5200 . . 183 22 22 ALA H H 8.1030 . . 184 22 22 ALA HA H 4.0510 . . 185 22 22 ALA HB H 1.3490 . . 186 22 22 ALA CA C 52.9400 . . 187 22 22 ALA CB C 20.4500 . . 188 22 22 ALA N N 125.2400 . . 189 23 23 ARG H H 8.8870 . . 190 23 23 ARG HA H 4.3460 . . 191 23 23 ARG HB2 H 2.0100 . . 192 23 23 ARG HB3 H 2.0100 . . 193 23 23 ARG HG2 H 1.6700 . . 194 23 23 ARG HG3 H 1.6700 . . 195 23 23 ARG HD2 H 3.3300 . . 196 23 23 ARG HD3 H 3.3300 . . 197 23 23 ARG CA C 55.4900 . . 198 23 23 ARG CB C 30.7000 . . 199 23 23 ARG CG C 26.9700 . . 200 23 23 ARG CD C 43.3700 . . 201 23 23 ARG N N 122.1900 . . 202 24 24 GLY H H 7.2580 . . 203 24 24 GLY HA2 H 4.0100 . . 204 24 24 GLY HA3 H 4.1710 . . 205 24 24 GLY CA C 44.5000 . . 206 24 24 GLY N N 105.3200 . . 207 25 25 ALA H H 8.6270 . . 208 25 25 ALA HA H 4.1660 . . 209 25 25 ALA HB H 1.4430 . . 210 25 25 ALA CA C 54.4400 . . 211 25 25 ALA CB C 18.7700 . . 212 25 25 ALA N N 122.1900 . . 213 26 26 ASP H H 8.9550 . . 214 26 26 ASP HA H 4.7000 . . 215 26 26 ASP HB2 H 2.6600 . . 216 26 26 ASP HB3 H 2.7000 . . 217 26 26 ASP CA C 53.8700 . . 218 26 26 ASP CB C 40.3900 . . 219 26 26 ASP N N 114.6900 . . 220 27 27 GLU H H 7.5370 . . 221 27 27 GLU HA H 5.2020 . . 222 27 27 GLU HB2 H 2.2100 . . 223 27 27 GLU HB3 H 2.6730 . . 224 27 27 GLU HG2 H 2.2300 . . 225 27 27 GLU HG3 H 2.2300 . . 226 27 27 GLU CA C 54.9300 . . 227 27 27 GLU CB C 32.8800 . . 228 27 27 GLU CG C 36.2900 . . 229 27 27 GLU N N 118.9100 . . 230 28 28 LEU H H 8.8900 . . 231 28 28 LEU HA H 4.7560 . . 232 28 28 LEU HB2 H 1.3500 . . 233 28 28 LEU HB3 H 1.7100 . . 234 28 28 LEU HG H 1.6300 . . 235 28 28 LEU HD1 H 0.8880 . . 236 28 28 LEU HD2 H 1.0500 . . 237 28 28 LEU CA C 53.1200 . . 238 28 28 LEU CB C 44.5000 . . 239 28 28 LEU CG C 26.7900 . . 240 28 28 LEU CD1 C 23.8000 . . 241 28 28 LEU CD2 C 25.4800 . . 242 28 28 LEU N N 121.4900 . . 243 29 29 SER H H 7.9480 . . 244 29 29 SER HA H 5.0090 . . 245 29 29 SER HB2 H 3.8280 . . 246 29 29 SER HB3 H 4.1750 . . 247 29 29 SER CA C 58.4700 . . 248 29 29 SER CB C 63.6900 . . 249 29 29 SER N N 115.8700 . . 250 30 30 LEU H H 9.5000 . . 251 30 30 LEU HA H 4.7760 . . 252 30 30 LEU HB2 H 1.1740 . . 253 30 30 LEU HB3 H 1.7700 . . 254 30 30 LEU HG H 1.6230 . . 255 30 30 LEU HD1 H 0.2820 . . 256 30 30 LEU HD2 H 0.6200 . . 257 30 30 LEU CA C 52.9400 . . 258 30 30 LEU CB C 46.3700 . . 259 30 30 LEU CG C 26.0400 . . 260 30 30 LEU CD1 C 22.6900 . . 261 30 30 LEU CD2 C 26.0400 . . 262 30 30 LEU N N 121.2600 . . 263 31 31 GLN H H 9.1470 . . 264 31 31 GLN HA H 5.0650 . . 265 31 31 GLN HB2 H 1.8300 . . 266 31 31 GLN HB3 H 1.9500 . . 267 31 31 GLN HG2 H 2.2910 . . 268 31 31 GLN HG3 H 2.2910 . . 269 31 31 GLN CA C 52.9400 . . 270 31 31 GLN CB C 31.1900 . . 271 31 31 GLN CG C 34.0000 . . 272 31 31 GLN N N 123.1300 . . 273 32 32 ILE H H 8.0160 . . 274 32 32 ILE HA H 3.0320 . . 275 32 32 ILE HB H 1.4700 . . 276 32 32 ILE HG12 H 0.4590 . . 277 32 32 ILE HG13 H 1.4300 . . 278 32 32 ILE HG2 H 0.7890 . . 279 32 32 ILE HD1 H 0.8600 . . 280 32 32 ILE CA C 64.2500 . . 281 32 32 ILE CB C 37.9400 . . 282 32 32 ILE CG1 C 29.0200 . . 283 32 32 ILE CG2 C 16.9100 . . 284 32 32 ILE CD1 C 13.9300 . . 285 32 32 ILE N N 120.7900 . . 286 33 33 GLY H H 8.7750 . . 287 33 33 GLY HA2 H 3.5000 . . 288 33 33 GLY HA3 H 4.4670 . . 289 33 33 GLY CA C 44.5000 . . 290 33 33 GLY N N 115.8700 . . 291 34 34 ASP H H 8.6860 . . 292 34 34 ASP HA H 4.6340 . . 293 34 34 ASP HB2 H 2.3350 . . 294 34 34 ASP HB3 H 2.8180 . . 295 34 34 ASP CA C 55.8600 . . 296 34 34 ASP CB C 41.3100 . . 297 34 34 ASP N N 122.4300 . . 298 35 35 THR H H 8.3920 . . 299 35 35 THR HA H 5.1540 . . 300 35 35 THR HB H 4.1030 . . 301 35 35 THR HG2 H 1.3210 . . 302 35 35 THR CA C 61.4500 . . 303 35 35 THR CB C 69.0900 . . 304 35 35 THR CG2 C 22.3100 . . 305 35 35 THR N N 117.9800 . . 306 36 36 VAL H H 9.0160 . . 307 36 36 VAL HA H 5.1520 . . 308 36 36 VAL HB H 1.6400 . . 309 36 36 VAL HG1 H 0.5560 . . 310 36 36 VAL HG2 H 0.2280 . . 311 36 36 VAL CA C 57.9100 . . 312 36 36 VAL CB C 34.1900 . . 313 36 36 VAL CG1 C 18.9600 . . 314 36 36 VAL CG2 C 21.3800 . . 315 36 36 VAL N N 118.2000 . . 316 37 37 HIS H H 8.4910 . . 317 37 37 HIS HA H 4.8110 . . 318 37 37 HIS HB2 H 2.1030 . . 319 37 37 HIS HB3 H 2.1900 . . 320 37 37 HIS CA C 52.5600 . . 321 37 37 HIS CB C 31.2600 . . 322 37 37 HIS N N 122.1900 . . 323 38 38 ILE H H 8.6380 . . 324 38 38 ILE HA H 3.7500 . . 325 38 38 ILE HB H 1.4300 . . 326 38 38 ILE HG12 H 0.3300 . . 327 38 38 ILE HG13 H 1.0700 . . 328 38 38 ILE HG2 H 0.3800 . . 329 38 38 ILE HD1 H 0.0100 . . 330 38 38 ILE CA C 61.6400 . . 331 38 38 ILE CB C 38.8800 . . 332 38 38 ILE CG1 C 28.4600 . . 333 38 38 ILE CG2 C 18.7700 . . 334 38 38 ILE CD1 C 14.4900 . . 335 38 38 ILE N N 126.6500 . . 336 39 39 LEU H H 9.1630 . . 337 39 39 LEU HA H 4.3800 . . 338 39 39 LEU HB2 H 1.5800 . . 339 39 39 LEU HB3 H 1.6000 . . 340 39 39 LEU HG H 1.6100 . . 341 39 39 LEU HD1 H 0.7200 . . 342 39 39 LEU HD2 H 0.9300 . . 343 39 39 LEU CA C 55.4900 . . 344 39 39 LEU CB C 43.7500 . . 345 39 39 LEU CG C 27.1600 . . 346 39 39 LEU CD1 C 22.3100 . . 347 39 39 LEU CD2 C 25.4800 . . 348 39 39 LEU N N 126.1800 . . 349 40 40 GLU H H 7.8520 . . 350 40 40 GLU HA H 5.0200 . . 351 40 40 GLU HB2 H 1.9700 . . 352 40 40 GLU HB3 H 2.1300 . . 353 40 40 GLU CA C 55.0900 . . 354 40 40 GLU CB C 35.7300 . . 355 40 40 GLU N N 115.1600 . . 356 41 41 THR HA H 4.2700 . . 357 41 41 THR HB H 4.1100 . . 358 41 41 THR HG2 H 1.2300 . . 359 41 41 THR CA C 61.2500 . . 360 41 41 THR CB C 71.4100 . . 361 41 41 THR CG2 C 20.7500 . . 362 42 42 TYR HA H 4.5500 . . 363 43 43 GLU H H 8.5900 . . 364 43 43 GLU HA H 3.7400 . . 365 43 43 GLU HB2 H 1.8400 . . 366 43 43 GLU HB3 H 1.8400 . . 367 43 43 GLU N N 124.1000 . . 368 44 44 GLY H H 8.4320 . . 369 44 44 GLY HA2 H 3.6260 . . 370 44 44 GLY HA3 H 3.8500 . . 371 44 44 GLY CA C 45.4400 . . 372 44 44 GLY N N 110.7890 . . 373 45 45 TRP HA H 4.6900 . . 374 45 45 TRP HB2 H 3.1200 . . 375 45 45 TRP HB3 H 3.1200 . . 376 45 45 TRP HD1 H 7.2300 . . 377 45 45 TRP HE1 H 10.1 . . 378 45 45 TRP HE3 H 7.2080 . . 379 45 45 TRP HZ2 H 7.4400 . . 380 45 45 TRP HZ3 H 6.7000 . . 381 45 45 TRP HH2 H 7.2400 . . 382 45 45 TRP CA C 57.5500 . . 383 45 45 TRP NE1 N 129.93 . . 384 46 46 TYR HA H 5.6000 . . 385 46 46 TYR HB2 H 1.8600 . . 386 46 46 TYR HB3 H 2.5600 . . 387 46 46 TYR HD1 H 7.0340 . . 388 46 46 TYR HD2 H 7.0340 . . 389 46 46 TYR HE1 H 6.7140 . . 390 46 46 TYR HE2 H 6.7140 . . 391 46 46 TYR CA C 54.0600 . . 392 46 46 TYR CB C 42.6500 . . 393 47 47 ARG H H 8.4920 . . 394 47 47 ARG HA H 5.0940 . . 395 47 47 ARG HB2 H 1.5850 . . 396 47 47 ARG HB3 H 1.5850 . . 397 47 47 ARG HG2 H 1.2000 . . 398 47 47 ARG HG3 H 1.2000 . . 399 47 47 ARG CA C 54.0600 . . 400 47 47 ARG CB C 33.2500 . . 401 47 47 ARG CG C 27.7200 . . 402 47 47 ARG N N 118.1000 . . 403 48 48 GLY H H 9.1830 . . 404 48 48 GLY HA2 H 3.9750 . . 405 48 48 GLY HA3 H 5.0020 . . 406 48 48 GLY CA C 46.5600 . . 407 48 48 GLY N N 114.0000 . . 408 49 49 TYR H H 8.1940 . . 409 49 49 TYR HA H 5.3730 . . 410 49 49 TYR HB2 H 3.1100 . . 411 49 49 TYR HB3 H 3.2100 . . 412 49 49 TYR HD1 H 6.8820 . . 413 49 49 TYR HD2 H 6.8820 . . 414 49 49 TYR HE1 H 6.6790 . . 415 49 49 TYR HE2 H 6.6790 . . 416 49 49 TYR CA C 55.1100 . . 417 49 49 TYR CB C 40.7500 . . 418 49 49 TYR N N 116.1000 . . 419 50 50 THR H H 9.4410 . . 420 50 50 THR HA H 5.1050 . . 421 50 50 THR HB H 4.4900 . . 422 50 50 THR HG2 H 1.1570 . . 423 50 50 THR CA C 59.7700 . . 424 50 50 THR CB C 69.4600 . . 425 50 50 THR CG2 C 21.5700 . . 426 50 50 THR N N 112.3500 . . 427 51 51 LEU H H 8.3100 . . 428 51 51 LEU HA H 4.2360 . . 429 51 51 LEU HB2 H 1.7400 . . 430 51 51 LEU HB3 H 1.7800 . . 431 51 51 LEU HG H 1.7400 . . 432 51 51 LEU HD1 H 0.9700 . . 433 51 51 LEU HD2 H 1.0000 . . 434 51 51 LEU CA C 56.7900 . . 435 51 51 LEU CB C 40.0000 . . 436 51 51 LEU CG C 28.4600 . . 437 51 51 LEU CD1 C 23.4300 . . 438 51 51 LEU CD2 C 24.9800 . . 439 51 51 LEU N N 121.2600 . . 440 52 52 ARG H H 8.0470 . . 441 52 52 ARG HA H 4.2500 . . 442 52 52 ARG HB2 H 1.8820 . . 443 52 52 ARG HB3 H 1.8820 . . 444 52 52 ARG HG2 H 1.6850 . . 445 52 52 ARG HG3 H 1.6850 . . 446 52 52 ARG HD2 H 3.2300 . . 447 52 52 ARG HD3 H 3.2900 . . 448 52 52 ARG CA C 57.3500 . . 449 52 52 ARG CB C 30.5100 . . 450 52 52 ARG CG C 27.5300 . . 451 52 52 ARG CD C 43.0000 . . 452 52 52 ARG N N 116.5700 . . 453 53 53 LYS H H 7.6490 . . 454 53 53 LYS HA H 4.6160 . . 455 53 53 LYS HB2 H 1.6000 . . 456 53 53 LYS HB3 H 1.9030 . . 457 53 53 LYS HG2 H 1.3700 . . 458 53 53 LYS HG3 H 1.3700 . . 459 53 53 LYS HD2 H 1.7300 . . 460 53 53 LYS HD3 H 1.7300 . . 461 53 53 LYS HE2 H 3.0300 . . 462 53 53 LYS HE3 H 3.0300 . . 463 53 53 LYS CA C 54.6200 . . 464 53 53 LYS CB C 32.8600 . . 465 53 53 LYS CG C 25.1100 . . 466 53 53 LYS CD C 29.0200 . . 467 53 53 LYS CE C 41.6900 . . 468 53 53 LYS N N 122.6600 . . 469 54 54 LYS H H 8.4960 . . 470 54 54 LYS HA H 4.0900 . . 471 54 54 LYS HB2 H 1.5400 . . 472 54 54 LYS HB3 H 1.5400 . . 473 54 54 LYS HG2 H 1.3700 . . 474 54 54 LYS HG3 H 1.3700 . . 475 54 54 LYS HD2 H 1.6400 . . 476 54 54 LYS HD3 H 1.6400 . . 477 54 54 LYS HE2 H 2.9700 . . 478 54 54 LYS HE3 H 2.9700 . . 479 54 54 LYS CA C 58.4700 . . 480 54 54 LYS CB C 32.1300 . . 481 54 54 LYS CG C 25.2900 . . 482 54 54 LYS CD C 29.2100 . . 483 54 54 LYS CE C 41.9600 . . 484 54 54 LYS N N 125.0100 . . 485 55 55 SER H H 7.8570 . . 486 55 55 SER HA H 4.1220 . . 487 55 55 SER HB2 H 3.8060 . . 488 55 55 SER HB3 H 4.0100 . . 489 55 55 SER CA C 58.9600 . . 490 55 55 SER CB C 63.3100 . . 491 55 55 SER N N 110.2400 . . 492 56 56 LYS H H 7.4730 . . 493 56 56 LYS HA H 4.6680 . . 494 56 56 LYS HB2 H 1.6600 . . 495 56 56 LYS HB3 H 1.9870 . . 496 56 56 LYS HG2 H 1.3700 . . 497 56 56 LYS HG3 H 1.3700 . . 498 56 56 LYS HD2 H 1.7500 . . 499 56 56 LYS HD3 H 1.7500 . . 500 56 56 LYS HE2 H 2.9300 . . 501 56 56 LYS HE3 H 3.0600 . . 502 56 56 LYS CA C 54.8100 . . 503 56 56 LYS CB C 33.2500 . . 504 56 56 LYS CG C 24.9200 . . 505 56 56 LYS CD C 29.0200 . . 506 56 56 LYS CE C 41.6900 . . 507 56 56 LYS N N 124.0700 . . 508 57 57 LYS H H 8.4740 . . 509 57 57 LYS HA H 5.3410 . . 510 57 57 LYS HB2 H 1.7300 . . 511 57 57 LYS HB3 H 1.8000 . . 512 57 57 LYS HG2 H 1.4010 . . 513 57 57 LYS HG3 H 1.4010 . . 514 57 57 LYS HD2 H 1.5800 . . 515 57 57 LYS HD3 H 1.5800 . . 516 57 57 LYS HE2 H 2.8300 . . 517 57 57 LYS HE3 H 2.7700 . . 518 57 57 LYS CA C 54.6200 . . 519 57 57 LYS CB C 34.2400 . . 520 57 57 LYS CG C 24.5500 . . 521 57 57 LYS CD C 29.5800 . . 522 57 57 LYS CE C 41.6900 . . 523 57 57 LYS N N 125.9400 . . 524 58 58 GLY H H 9.0750 . . 525 58 58 GLY HA2 H 3.9450 . . 526 58 58 GLY HA3 H 4.3990 . . 527 58 58 GLY CA C 45.6200 . . 528 58 58 GLY N N 109.5400 . . 529 59 59 ILE H H 8.6280 . . 530 59 59 ILE HA H 6.0000 . . 531 59 59 ILE HB H 1.9500 . . 532 59 59 ILE HG12 H 0.8900 . . 533 59 59 ILE HG13 H 1.4400 . . 534 59 59 ILE HG2 H 0.6800 . . 535 59 59 ILE HD1 H 0.2800 . . 536 59 59 ILE CA C 59.5900 . . 537 59 59 ILE CB C 41.1400 . . 538 59 59 ILE CG1 C 26.4100 . . 539 59 59 ILE CG2 C 18.0300 . . 540 59 59 ILE CD1 C 13.1800 . . 541 59 59 ILE N N 113.9000 . . 542 60 60 PHE H H 8.7240 . . 543 60 60 PHE HA H 5.1200 . . 544 60 60 PHE HB2 H 2.6300 . . 545 60 60 PHE HB3 H 3.5700 . . 546 60 60 PHE HD1 H 6.9120 . . 547 60 60 PHE HD2 H 6.9120 . . 548 60 60 PHE HE1 H 6.7080 . . 549 60 60 PHE HE2 H 6.7080 . . 550 60 60 PHE HZ H 7.2510 . . 551 60 60 PHE CA C 54.0600 . . 552 60 60 PHE CB C 37.1900 . . 553 60 60 PHE N N 117.0400 . . 554 61 61 PRO HA H 3.4800 . . 555 61 61 PRO HB2 H 1.2400 . . 556 61 61 PRO HB3 H 1.1700 . . 557 61 61 PRO HG2 H 0.8300 . . 558 61 61 PRO HG3 H 0.4400 . . 559 61 61 PRO HD2 H 2.3400 . . 560 61 61 PRO HD3 H 2.6300 . . 561 61 61 PRO CA C 62.2000 . . 562 61 61 PRO CB C 31.1900 . . 563 61 61 PRO CG C 27.3400 . . 564 61 61 PRO CD C 50.1200 . . 565 62 62 ALA H H 7.8980 . . 566 62 62 ALA HA H 3.7100 . . 567 62 62 ALA HB H 0.4600 . . 568 62 62 ALA CA C 54.3700 . . 569 62 62 ALA CB C 17.6500 . . 570 62 62 ALA N N 124.7700 . . 571 63 63 SER H H 8.0300 . . 572 63 63 SER HA H 4.2000 . . 573 63 63 SER HB2 H 3.7000 . . 574 63 63 SER HB3 H 3.8600 . . 575 63 63 SER CA C 59.4000 . . 576 63 63 SER CB C 62.3800 . . 577 63 63 SER N N 109.7000 . . 578 64 64 TYR H H 7.1280 . . 579 64 64 TYR HA H 4.2500 . . 580 64 64 TYR HB2 H 2.7400 . . 581 64 64 TYR HB3 H 3.2000 . . 582 64 64 TYR HD1 H 6.8710 . . 583 64 64 TYR HD2 H 6.8710 . . 584 64 64 TYR HE1 H 6.7910 . . 585 64 64 TYR HE2 H 6.7910 . . 586 64 64 TYR CA C 57.7200 . . 587 64 64 TYR CB C 37.5600 . . 588 64 64 TYR N N 120.3000 . . 589 65 65 ILE H H 7.6710 . . 590 65 65 ILE HA H 4.8100 . . 591 65 65 ILE HB H 2.3900 . . 592 65 65 ILE HG12 H 1.5000 . . 593 65 65 ILE HG13 H 2.0200 . . 594 65 65 ILE HG2 H 0.7600 . . 595 65 65 ILE HD1 H 0.6300 . . 596 65 65 ILE CA C 56.9800 . . 597 65 65 ILE CB C 39.6300 . . 598 65 65 ILE CG1 C 26.9700 . . 599 65 65 ILE CG2 C 18.4000 . . 600 65 65 ILE CD1 C 10.3900 . . 601 65 65 ILE N N 118.0000 . . 602 66 66 HIS H H 9.1590 . . 603 66 66 HIS HA H 5.1300 . . 604 66 66 HIS HB2 H 2.9500 . . 605 66 66 HIS HB3 H 3.0380 . . 606 66 66 HIS HD2 H 7.0820 . . 607 66 66 HIS CA C 53.0600 . . 608 66 66 HIS CB C 30.5100 . . 609 66 66 HIS N N 124.3000 . . 610 67 67 LEU H H 8.9920 . . 611 67 67 LEU HA H 4.5700 . . 612 67 67 LEU HB2 H 1.4900 . . 613 67 67 LEU HB3 H 1.7900 . . 614 67 67 LEU HG H 1.7900 . . 615 67 67 LEU HD1 H 0.6900 . . 616 67 67 LEU HD2 H 0.9700 . . 617 67 67 LEU CA C 55.3000 . . 618 67 67 LEU CB C 42.0600 . . 619 67 67 LEU CG C 27.1600 . . 620 67 67 LEU CD1 C 23.0600 . . 621 67 67 LEU CD2 C 25.4800 . . 622 67 67 LEU N N 127.5800 . . 623 68 68 LYS H H 8.4990 . . 624 68 68 LYS HA H 4.4900 . . 625 68 68 LYS HB2 H 1.5500 . . 626 68 68 LYS HB3 H 1.8200 . . 627 68 68 LYS HG2 H 1.3900 . . 628 68 68 LYS HG3 H 1.3900 . . 629 68 68 LYS HD2 H 1.6500 . . 630 68 68 LYS HD3 H 1.6500 . . 631 68 68 LYS HE2 H 2.8600 . . 632 68 68 LYS HE3 H 2.8600 . . 633 68 68 LYS CA C 55.1100 . . 634 68 68 LYS CB C 34.6100 . . 635 68 68 LYS CG C 24.5500 . . 636 68 68 LYS CD C 29.0200 . . 637 68 68 LYS CE C 41.6900 . . 638 68 68 LYS N N 121.9000 . . 639 69 69 GLU H H 8.5690 . . 640 69 69 GLU HA H 4.2800 . . 641 69 69 GLU HB2 H 1.9500 . . 642 69 69 GLU HB3 H 2.0400 . . 643 69 69 GLU HG2 H 2.2800 . . 644 69 69 GLU HG3 H 2.2800 . . 645 69 69 GLU CA C 56.6100 . . 646 69 69 GLU CB C 30.3300 . . 647 69 69 GLU CG C 36.2900 . . 648 69 69 GLU N N 122.1900 . . 649 70 70 ALA H H 8.1810 . . 650 70 70 ALA HA H 4.2000 . . 651 70 70 ALA HB H 1.2700 . . 652 70 70 ALA CA C 51.8100 . . 653 70 70 ALA CB C 19.7000 . . 654 70 70 ALA N N 123.3700 . . 655 71 71 ILE H H 7.7760 . . 656 71 71 ILE HA H 4.0700 . . 657 71 71 ILE HB H 1.6500 . . 658 71 71 ILE HG12 H 0.9700 . . 659 71 71 ILE HG13 H 1.2800 . . 660 71 71 ILE HG2 H 0.7400 . . 661 71 71 ILE HD1 H 0.7500 . . 662 71 71 ILE CA C 60.3300 . . 663 71 71 ILE CB C 38.6900 . . 664 71 71 ILE CG1 C 27.1600 . . 665 71 71 ILE CG2 C 17.4700 . . 666 71 71 ILE CD1 C 12.9900 . . 667 71 71 ILE N N 120.0800 . . 668 72 72 VAL H H 8.0890 . . 669 72 72 VAL HA H 4.0700 . . 670 72 72 VAL HB H 1.9700 . . 671 72 72 VAL HG1 H 0.8600 . . 672 72 72 VAL HG2 H 0.8500 . . 673 72 72 VAL CA C 61.6400 . . 674 72 72 VAL CB C 32.6900 . . 675 72 72 VAL CG1 C 20.6400 . . 676 72 72 VAL CG2 C 21.1900 . . 677 72 72 VAL N N 124.5400 . . 678 73 73 GLU H H 8.4640 . . 679 73 73 GLU HA H 4.2800 . . 680 73 73 GLU HB2 H 1.9000 . . 681 73 73 GLU HB3 H 2.0300 . . 682 73 73 GLU HG2 H 2.2300 . . 683 73 73 GLU HG3 H 2.2300 . . 684 73 73 GLU CA C 56.6100 . . 685 73 73 GLU CB C 30.7100 . . 686 73 73 GLU CG C 36.2500 . . 687 73 73 GLU N N 125.9400 . . 688 74 74 GLY H H 7.9810 . . 689 74 74 GLY HA2 H 3.7700 . . 690 74 74 GLY HA3 H 3.7700 . . 691 74 74 GLY CA C 45.8100 . . 692 74 74 GLY N N 116.5700 . . stop_ save_