data_17645 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of myosin VI lever arm extension ; _BMRB_accession_number 17645 _BMRB_flat_file_name bmr17645.str _Entry_type original _Submission_date 2011-05-13 _Accession_date 2011-05-13 _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 Feng Wei . . 2 Yu Cong . . 3 Zhang Mingjie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 533 "13C chemical shifts" 305 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-25 update BMRB 'update entry citation' 2012-08-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Membrane-induced lever arm expansion allows myosin VI to walk with large and variable step sizes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22936804 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yu Cong . . 2 Lou Jizhong . . 3 Wu Jingjing . . 4 Pan Lifeng . . 5 Feng Wei . . 6 Zhang Mingjie . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 42 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35021 _Page_last 35035 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'myosin VI lever arm extension' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'myosin VI lever arm extension' $myosin_VI_LAE 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_myosin_VI_LAE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common myosin_VI_LAE _Molecular_mass 9961.641 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; QGPGSLVKVGTLKKRLDKFN EVVSALKDGKPEVNRQIKNL EISIDALMAKIKSTMMTREQ IQKEYDALVKSSEDLLSALQ KKKQQEEE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 16 GLN 2 17 GLY 3 18 PRO 4 19 GLY 5 20 SER 6 21 LEU 7 22 VAL 8 23 LYS 9 24 VAL 10 25 GLY 11 26 THR 12 27 LEU 13 28 LYS 14 29 LYS 15 30 ARG 16 31 LEU 17 32 ASP 18 33 LYS 19 34 PHE 20 35 ASN 21 36 GLU 22 37 VAL 23 38 VAL 24 39 SER 25 40 ALA 26 41 LEU 27 42 LYS 28 43 ASP 29 44 GLY 30 45 LYS 31 46 PRO 32 47 GLU 33 48 VAL 34 49 ASN 35 50 ARG 36 51 GLN 37 52 ILE 38 53 LYS 39 54 ASN 40 55 LEU 41 56 GLU 42 57 ILE 43 58 SER 44 59 ILE 45 60 ASP 46 61 ALA 47 62 LEU 48 63 MET 49 64 ALA 50 65 LYS 51 66 ILE 52 67 LYS 53 68 SER 54 69 THR 55 70 MET 56 71 MET 57 72 THR 58 73 ARG 59 74 GLU 60 75 GLN 61 76 ILE 62 77 GLN 63 78 LYS 64 79 GLU 65 80 TYR 66 81 ASP 67 82 ALA 68 83 LEU 69 84 VAL 70 85 LYS 71 86 SER 72 87 SER 73 88 GLU 74 89 ASP 75 90 LEU 76 91 LEU 77 92 SER 78 93 ALA 79 94 LEU 80 95 GLN 81 96 LYS 82 97 LYS 83 98 LYS 84 99 GLN 85 100 GLN 86 101 GLU 87 102 GLU 88 103 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 2LD3 "Solution Structure Of Myosin Vi Lever Arm Extension" 100.00 88 100.00 100.00 2.13e-53 DBJ BAD32219 "mKIAA0389 protein [Mus musculus]" 94.32 552 100.00 100.00 9.21e-45 GB AAB00194 "unconventional myosin VI [Mus musculus]" 94.32 1265 97.59 97.59 4.97e-42 GB AAI44918 "Myosin VI [Mus musculus]" 94.32 1262 100.00 100.00 3.52e-43 GB AAI50674 "Myosin VI [Mus musculus]" 94.32 1262 100.00 100.00 3.52e-43 GB EDL26433 "mCG18842, isoform CRA_a [Mus musculus]" 94.32 1238 100.00 100.00 3.73e-43 GB EDL26434 "mCG18842, isoform CRA_a [Mus musculus]" 94.32 1238 100.00 100.00 3.73e-43 PRF 2204386A "myosin VI:SUBUNIT=heavy chain" 94.32 1265 97.59 97.59 5.02e-42 REF NP_001034635 "unconventional myosin-VI [Mus musculus]" 94.32 1262 100.00 100.00 3.59e-43 REF XP_001061392 "PREDICTED: unconventional myosin-VI isoform X3 [Rattus norvegicus]" 94.32 1262 98.80 100.00 1.91e-42 REF XP_003508949 "PREDICTED: unconventional myosin-VI isoform X1 [Cricetulus griseus]" 94.32 1262 97.59 100.00 5.57e-42 REF XP_004696356 "PREDICTED: unconventional myosin-VI isoform X1 [Echinops telfairi]" 94.32 1284 97.59 100.00 2.65e-42 REF XP_004696357 "PREDICTED: unconventional myosin-VI isoform X2 [Echinops telfairi]" 94.32 1261 97.59 100.00 2.30e-42 SP Q64331 "RecName: Full=Unconventional myosin-VI; AltName: Full=Unconventional myosin-6" 94.32 1265 97.59 97.59 4.97e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $myosin_VI_LAE 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 $myosin_VI_LAE 'recombinant technology' . Escherichia coli . pET32a 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 $myosin_VI_LAE 1.0 mM 'natural abundance' D2O 100 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $myosin_VI_LAE 1.0 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $myosin_VI_LAE 1.0 mM '[U-100% 13C; U-100% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $myosin_VI_LAE 1.0 mM '[U-100% 13C; U-100% 15N]' D2O 100 % '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' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' 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 Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '3D 1H-15N NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'myosin VI lever arm extension' _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 16 1 GLN HA H 4.374 . 1 2 16 1 GLN HB2 H 2.114 . 2 3 16 1 GLN HB3 H 1.931 . 2 4 16 1 GLN HG2 H 2.315 . 2 5 16 1 GLN HG3 H 2.315 . 2 6 16 1 GLN H H 8.0750 . 1 7 16 1 GLN CA C 56.2300 . 1 8 16 1 GLN CB C 30.5100 . 1 9 16 1 GLN CG C 34.44 . 1 10 16 1 GLN N N 121.2360 . 1 11 17 2 GLY H H 8.0650 . 1 12 17 2 GLY HA2 H 4.142 . 2 13 17 2 GLY HA3 H 3.990 . 2 14 17 2 GLY CA C 45.6100 . 1 15 17 2 GLY N N 110.3560 . 1 16 18 3 PRO HA H 4.393 . 1 17 18 3 PRO HB2 H 1.959 . 2 18 18 3 PRO HB3 H 2.310 . 2 19 18 3 PRO HG2 H 2.039 . 2 20 18 3 PRO HG3 H 2.039 . 2 21 18 3 PRO HD2 H 3.688 . 2 22 18 3 PRO HD3 H 3.659 . 2 23 18 3 PRO CA C 64.67 . 1 24 18 3 PRO CB C 32.70 . 1 25 18 3 PRO CG C 28.02 . 1 26 18 3 PRO CD C 50.69 . 1 27 19 4 GLY HA2 H 3.942 . 2 28 19 4 GLY HA3 H 3.865 . 2 29 19 4 GLY CA C 46.73 . 1 30 20 5 SER HA H 4.192 . 1 31 20 5 SER HB2 H 3.809 . 2 32 20 5 SER HB3 H 3.809 . 2 33 20 5 SER CA C 60.9600 . 1 34 20 5 SER CB C 64.2500 . 1 35 21 6 LEU H H 8.0520 . 1 36 21 6 LEU HA H 4.120 . 1 37 21 6 LEU HB2 H 1.715 . 2 38 21 6 LEU HB3 H 1.715 . 2 39 21 6 LEU HG H 1.668 . 1 40 21 6 LEU HD1 H 0.920 . 2 41 21 6 LEU HD2 H 0.887 . 2 42 21 6 LEU CA C 57.7200 . 1 43 21 6 LEU CB C 42.9700 . 1 44 21 6 LEU CG C 27.99 . 1 45 21 6 LEU CD1 C 26.00 . 2 46 21 6 LEU CD2 C 25.26 . 2 47 21 6 LEU N N 122.7310 . 1 48 22 7 VAL H H 7.6760 . 1 49 22 7 VAL HA H 3.753 . 1 50 22 7 VAL HB H 1.965 . 1 51 22 7 VAL HG1 H 0.823 . 2 52 22 7 VAL HG2 H 0.923 . 2 53 22 7 VAL CA C 65.35 . 1 54 22 7 VAL CB C 32.60 . 1 55 22 7 VAL CG1 C 21.75 . 2 56 22 7 VAL CG2 C 22.51 . 2 57 22 7 VAL N N 119.9480 . 1 58 23 8 LYS H H 7.8300 . 1 59 23 8 LYS HA H 4.187 . 1 60 23 8 LYS HB2 H 1.726 . 2 61 23 8 LYS HB3 H 1.693 . 2 62 23 8 LYS HG2 H 1.294 . 2 63 23 8 LYS HG3 H 1.180 . 2 64 23 8 LYS HD2 H 1.477 . 2 65 23 8 LYS HD3 H 1.441 . 2 66 23 8 LYS HE2 H 2.722 . 2 67 23 8 LYS HE3 H 2.722 . 2 68 23 8 LYS CA C 58.83 . 1 69 23 8 LYS CB C 32.56 . 1 70 23 8 LYS CG C 25.67 . 1 71 23 8 LYS CD C 29.75 . 1 72 23 8 LYS CE C 42.25 . 1 73 23 8 LYS N N 122.4000 . 1 74 24 9 VAL H H 8.194 . 1 75 24 9 VAL HA H 3.826 . 1 76 24 9 VAL HB H 2.112 . 1 77 24 9 VAL HG1 H 1.032 . 2 78 24 9 VAL CA C 66.8600 . 1 79 24 9 VAL CB C 32.450 . 1 80 24 9 VAL CG1 C 23.22 . 2 81 24 9 VAL N N 121.205 . 1 82 25 10 GLY H H 8.4460 . 1 83 25 10 GLY HA2 H 4.015 . 2 84 25 10 GLY HA3 H 3.894 . 2 85 25 10 GLY CA C 47.6600 . 1 86 25 10 GLY N N 107.9000 . 1 87 26 11 THR H H 7.9920 . 1 88 26 11 THR HA H 4.109 . 1 89 26 11 THR HB H 4.365 . 1 90 26 11 THR HG2 H 1.348 . 1 91 26 11 THR CA C 66.3000 . 1 92 26 11 THR CB C 69.6900 . 1 93 26 11 THR CG2 C 22.630 . 1 94 26 11 THR N N 116.8000 . 1 95 27 12 LEU H H 7.9340 . 1 96 27 12 LEU HA H 4.127 . 1 97 27 12 LEU HB2 H 1.985 . 2 98 27 12 LEU HB3 H 1.676 . 2 99 27 12 LEU HG H 1.818 . 1 100 27 12 LEU HD1 H 0.906 . 2 101 27 12 LEU HD2 H 0.746 . 2 102 27 12 LEU CA C 58.4700 . 1 103 27 12 LEU CB C 42.8100 . 1 104 27 12 LEU CG C 27.94 . 1 105 27 12 LEU CD1 C 26.21 . 2 106 27 12 LEU CD2 C 25.03 . 2 107 27 12 LEU N N 123.9830 . 1 108 28 13 LYS H H 7.8240 . 1 109 28 13 LYS HA H 3.903 . 1 110 28 13 LYS HB2 H 2.054 . 2 111 28 13 LYS HB3 H 1.882 . 2 112 28 13 LYS HG2 H 1.572 . 2 113 28 13 LYS HG3 H 1.437 . 2 114 28 13 LYS HD2 H 1.757 . 2 115 28 13 LYS HD3 H 1.678 . 2 116 28 13 LYS HE2 H 2.930 . 2 117 28 13 LYS HE3 H 2.930 . 2 118 28 13 LYS CA C 60.1500 . 1 119 28 13 LYS CB C 32.7300 . 1 120 28 13 LYS CG C 26.86 . 1 121 28 13 LYS CD C 29.79 . 1 122 28 13 LYS CE C 42.81 . 1 123 28 13 LYS N N 117.5130 . 1 124 29 14 LYS H H 7.6850 . 1 125 29 14 LYS HA H 4.151 . 1 126 29 14 LYS HB2 H 1.954 . 2 127 29 14 LYS HB3 H 1.954 . 2 128 29 14 LYS HG2 H 1.600 . 2 129 29 14 LYS HG3 H 1.600 . 2 130 29 14 LYS HD2 H 1.710 . 2 131 29 14 LYS HD3 H 1.710 . 2 132 29 14 LYS HE2 H 2.961 . 2 133 29 14 LYS HE3 H 2.961 . 2 134 29 14 LYS CA C 59.4600 . 1 135 29 14 LYS CB C 32.7500 . 1 136 29 14 LYS CG C 25.67 . 1 137 29 14 LYS CD C 29.58 . 1 138 29 14 LYS CE C 42.44 . 1 139 29 14 LYS N N 119.2750 . 1 140 30 15 ARG H H 7.7090 . 1 141 30 15 ARG HA H 4.060 . 1 142 30 15 ARG HB2 H 1.980 . 2 143 30 15 ARG HB3 H 1.910 . 2 144 30 15 ARG HG2 H 1.820 . 2 145 30 15 ARG HG3 H 1.707 . 2 146 30 15 ARG HD2 H 3.170 . 2 147 30 15 ARG HD3 H 3.151 . 2 148 30 15 ARG CA C 59.0300 . 1 149 30 15 ARG CB C 30.5100 . 1 150 30 15 ARG CG C 28.460 . 1 151 30 15 ARG CD C 44.30 . 1 152 30 15 ARG N N 119.0900 . 1 153 31 16 LEU H H 7.5950 . 1 154 31 16 LEU HA H 3.977 . 1 155 31 16 LEU HB2 H 1.903 . 2 156 31 16 LEU HB3 H 1.601 . 2 157 31 16 LEU HG H 1.827 . 1 158 31 16 LEU HD1 H 0.889 . 2 159 31 16 LEU HD2 H 0.760 . 2 160 31 16 LEU CA C 58.08 . 1 161 31 16 LEU CB C 41.3200 . 1 162 31 16 LEU CG C 28.09 . 1 163 31 16 LEU CD1 C 26.36 . 2 164 31 16 LEU CD2 C 23.970 . 2 165 31 16 LEU N N 118.4730 . 1 166 32 17 ASP H H 7.8580 . 1 167 32 17 ASP HA H 4.439 . 1 168 32 17 ASP HB2 H 2.813 . 2 169 32 17 ASP HB3 H 2.731 . 2 170 32 17 ASP CA C 57.9800 . 1 171 32 17 ASP CB C 40.8800 . 1 172 32 17 ASP N N 120.0200 . 1 173 33 18 LYS H H 7.5640 . 1 174 33 18 LYS HA H 4.198 . 1 175 33 18 LYS HB2 H 1.901 . 2 176 33 18 LYS HB3 H 1.901 . 2 177 33 18 LYS HG2 H 1.506 . 2 178 33 18 LYS HG3 H 1.506 . 2 179 33 18 LYS HD2 H 1.676 . 2 180 33 18 LYS HD3 H 1.676 . 2 181 33 18 LYS HE2 H 2.913 . 2 182 33 18 LYS HE3 H 2.913 . 2 183 33 18 LYS CA C 58.4700 . 1 184 33 18 LYS CB C 32.1900 . 1 185 33 18 LYS CG C 25.29 . 1 186 33 18 LYS CD C 29.02 . 1 187 33 18 LYS CE C 42.51 . 1 188 33 18 LYS N N 119.7080 . 1 189 34 19 PHE H H 7.8840 . 1 190 34 19 PHE HA H 4.251 . 1 191 34 19 PHE HB2 H 3.373 . 2 192 34 19 PHE HB3 H 3.058 . 2 193 34 19 PHE CA C 60.7100 . 1 194 34 19 PHE CB C 38.7500 . 1 195 34 19 PHE N N 118.2560 . 1 196 35 20 ASN H H 8.0540 . 1 197 35 20 ASN HA H 4.460 . 1 198 35 20 ASN HB2 H 2.932 . 2 199 35 20 ASN HB3 H 2.838 . 2 200 35 20 ASN CA C 57.3500 . 1 201 35 20 ASN CB C 39.0000 . 1 202 35 20 ASN N N 117.7790 . 1 203 36 21 GLU H H 7.9830 . 1 204 36 21 GLU HA H 4.106 . 1 205 36 21 GLU HB2 H 2.159 . 2 206 36 21 GLU HB3 H 2.159 . 2 207 36 21 GLU HG2 H 2.376 . 2 208 36 21 GLU HG3 H 2.376 . 2 209 36 21 GLU CA C 59.7700 . 1 210 36 21 GLU CB C 30.5100 . 1 211 36 21 GLU CG C 37.04 . 1 212 36 21 GLU N N 120.3120 . 1 213 37 22 VAL H H 7.6700 . 1 214 37 22 VAL HA H 3.842 . 1 215 37 22 VAL HB H 2.176 . 1 216 37 22 VAL HG1 H 0.917 . 2 217 37 22 VAL HG2 H 1.042 . 2 218 37 22 VAL CA C 66.1100 . 1 219 37 22 VAL CB C 32.6800 . 1 220 37 22 VAL CG1 C 22.81 . 2 221 37 22 VAL CG2 C 23.06 . 2 222 37 22 VAL N N 119.7560 . 1 223 38 23 VAL H H 8.1590 . 1 224 38 23 VAL HA H 3.677 . 1 225 38 23 VAL HB H 2.155 . 1 226 38 23 VAL HG1 H 0.989 . 2 227 38 23 VAL HG2 H 1.026 . 2 228 38 23 VAL CA C 66.5500 . 1 229 38 23 VAL CB C 32.4800 . 1 230 38 23 VAL CG1 C 22.43 . 2 231 38 23 VAL CG2 C 24.32 . 2 232 38 23 VAL N N 118.3000 . 1 233 39 24 SER H H 7.7730 . 1 234 39 24 SER HA H 4.170 . 1 235 39 24 SER HB2 H 3.971 . 2 236 39 24 SER HB3 H 3.971 . 2 237 39 24 SER CA C 61.8800 . 1 238 39 24 SER CB C 63.7400 . 1 239 39 24 SER N N 113.9520 . 1 240 40 25 ALA H H 7.4360 . 1 241 40 25 ALA HA H 4.425 . 1 242 40 25 ALA HB H 1.495 . 1 243 40 25 ALA CA C 52.8800 . 1 244 40 25 ALA CB C 20.4500 . 1 245 40 25 ALA N N 122.5720 . 1 246 41 26 LEU H H 7.4990 . 1 247 41 26 LEU HA H 4.381 . 1 248 41 26 LEU HB2 H 1.826 . 2 249 41 26 LEU HB3 H 1.591 . 2 250 41 26 LEU HG H 2.010 . 1 251 41 26 LEU HD1 H 0.914 . 2 252 41 26 LEU HD2 H 0.829 . 2 253 41 26 LEU CA C 55.8600 . 1 254 41 26 LEU CB C 43.1900 . 1 255 41 26 LEU CG C 27.16 . 1 256 41 26 LEU CD1 C 26.81 . 2 257 41 26 LEU CD2 C 23.38 . 2 258 41 26 LEU N N 120.6770 . 1 259 42 27 LYS HA H 4.285 . 1 260 42 27 LYS HB2 H 1.816 . 2 261 42 27 LYS HB3 H 1.816 . 2 262 42 27 LYS HG2 H 1.515 . 2 263 42 27 LYS HG3 H 1.418 . 2 264 42 27 LYS HD2 H 1.667 . 2 265 42 27 LYS HD3 H 1.667 . 2 266 42 27 LYS HE2 H 2.987 . 2 267 42 27 LYS HE3 H 2.987 . 2 268 42 27 LYS CA C 58.2500 . 1 269 42 27 LYS CB C 33.8700 . 1 270 42 27 LYS CG C 25.820 . 1 271 42 27 LYS CD C 29.60 . 1 272 42 27 LYS CE C 42.58 . 1 273 43 28 ASP H H 8.5130 . 1 274 43 28 ASP HA H 4.801 . 1 275 43 28 ASP HB2 H 2.634 . 2 276 43 28 ASP HB3 H 2.634 . 2 277 43 28 ASP CA C 54.5600 . 1 278 43 28 ASP CB C 43.4400 . 1 279 43 28 ASP N N 120.9890 . 1 280 44 29 GLY H H 8.4250 . 1 281 44 29 GLY HA2 H 3.948 . 2 282 44 29 GLY HA3 H 3.948 . 2 283 44 29 GLY CA C 46.5400 . 1 284 44 29 GLY N N 108.3790 . 1 285 45 30 LYS H H 8.2690 . 1 286 45 30 LYS HA H 4.079 . 1 287 45 30 LYS HB2 H 1.853 . 2 288 45 30 LYS HB3 H 1.788 . 2 289 45 30 LYS HG2 H 1.385 . 2 290 45 30 LYS HG3 H 1.385 . 2 291 45 30 LYS HD2 H 1.695 . 2 292 45 30 LYS HD3 H 1.695 . 2 293 45 30 LYS HE2 H 3.034 . 2 294 45 30 LYS HE3 H 3.034 . 2 295 45 30 LYS CA C 60.52 . 1 296 45 30 LYS CB C 31.07 . 1 297 45 30 LYS CG C 26.23 . 1 298 45 30 LYS CD C 29.58 . 1 299 45 30 LYS CE C 42.44 . 1 300 45 30 LYS N N 119.9320 . 1 301 46 31 PRO HA H 4.308 . 1 302 46 31 PRO HB2 H 1.863 . 2 303 46 31 PRO HB3 H 2.330 . 2 304 46 31 PRO HG2 H 2.167 . 2 305 46 31 PRO HG3 H 1.955 . 2 306 46 31 PRO HD2 H 3.776 . 2 307 46 31 PRO HD3 H 3.724 . 2 308 46 31 PRO CA C 67.04 . 1 309 46 31 PRO CB C 31.82 . 1 310 46 31 PRO CG C 28.95 . 1 311 46 31 PRO CD C 51.01 . 1 312 47 32 GLU H H 8.1890 . 1 313 47 32 GLU HA H 4.133 . 1 314 47 32 GLU HB2 H 2.107 . 2 315 47 32 GLU HB3 H 1.963 . 2 316 47 32 GLU HG2 H 2.353 . 2 317 47 32 GLU HG3 H 2.353 . 2 318 47 32 GLU CA C 60.1700 . 1 319 47 32 GLU CB C 29.9100 . 1 320 47 32 GLU CG C 37.04 . 1 321 47 32 GLU N N 118.5260 . 1 322 48 33 VAL H H 7.7440 . 1 323 48 33 VAL HA H 3.912 . 1 324 48 33 VAL HB H 2.118 . 1 325 48 33 VAL HG1 H 0.960 . 2 326 48 33 VAL HG2 H 1.016 . 2 327 48 33 VAL CA C 66.3000 . 1 328 48 33 VAL CB C 32.3600 . 1 329 48 33 VAL CG1 C 23.43 . 2 330 48 33 VAL CG2 C 23.07 . 2 331 48 33 VAL N N 120.1830 . 1 332 49 34 ASN H H 8.5820 . 1 333 49 34 ASN HA H 4.450 . 1 334 49 34 ASN HB2 H 2.839 . 2 335 49 34 ASN HB3 H 2.708 . 2 336 49 34 ASN CA C 57.0500 . 1 337 49 34 ASN CB C 38.6500 . 1 338 49 34 ASN N N 119.7000 . 1 339 50 35 ARG H H 7.8480 . 1 340 50 35 ARG HA H 4.137 . 1 341 50 35 ARG HB2 H 1.945 . 2 342 50 35 ARG HB3 H 1.945 . 2 343 50 35 ARG HG2 H 1.733 . 2 344 50 35 ARG HG3 H 1.592 . 2 345 50 35 ARG HD2 H 3.224 . 2 346 50 35 ARG HD3 H 3.224 . 2 347 50 35 ARG CA C 59.7700 . 1 348 50 35 ARG CB C 30.7700 . 1 349 50 35 ARG CG C 27.780 . 1 350 50 35 ARG CD C 43.970 . 1 351 50 35 ARG N N 121.0090 . 1 352 51 36 GLN H H 7.6850 . 1 353 51 36 GLN HA H 4.063 . 1 354 51 36 GLN HB2 H 2.347 . 2 355 51 36 GLN HB3 H 2.107 . 2 356 51 36 GLN HG2 H 2.600 . 2 357 51 36 GLN HG3 H 2.366 . 2 358 51 36 GLN CA C 60.0100 . 1 359 51 36 GLN CB C 29.7700 . 1 360 51 36 GLN CG C 35.16 . 1 361 51 36 GLN N N 119.3940 . 1 362 52 37 ILE H H 8.2930 . 1 363 52 37 ILE HA H 3.454 . 1 364 52 37 ILE HB H 1.894 . 1 365 52 37 ILE HG12 H 1.788 . 2 366 52 37 ILE HG13 H 0.719 . 2 367 52 37 ILE HG2 H 0.912 . 1 368 52 37 ILE HD1 H 0.820 . 1 369 52 37 ILE CA C 66.3000 . 1 370 52 37 ILE CB C 38.9000 . 1 371 52 37 ILE CG1 C 30.51 . 1 372 52 37 ILE CG2 C 18.17 . 1 373 52 37 ILE CD1 C 15.49 . 1 374 52 37 ILE N N 122.0060 . 1 375 53 38 LYS H H 8.1690 . 1 376 53 38 LYS HA H 4.171 . 1 377 53 38 LYS HB2 H 1.915 . 2 378 53 38 LYS HB3 H 1.915 . 2 379 53 38 LYS HG2 H 1.510 . 2 380 53 38 LYS HG3 H 1.510 . 2 381 53 38 LYS HD2 H 1.724 . 2 382 53 38 LYS HD3 H 1.724 . 2 383 53 38 LYS HE2 H 2.917 . 2 384 53 38 LYS HE3 H 2.917 . 2 385 53 38 LYS CA C 59.0500 . 1 386 53 38 LYS CB C 31.9300 . 1 387 53 38 LYS CG C 25.40 . 1 388 53 38 LYS CD C 29.02 . 1 389 53 38 LYS CE C 42.67 . 1 390 53 38 LYS N N 121.1630 . 1 391 54 39 ASN H H 8.1710 . 1 392 54 39 ASN HA H 4.483 . 1 393 54 39 ASN HB2 H 2.872 . 2 394 54 39 ASN HB3 H 2.809 . 2 395 54 39 ASN CA C 56.6100 . 1 396 54 39 ASN CB C 38.4400 . 1 397 54 39 ASN N N 117.2190 . 1 398 55 40 LEU H H 7.7020 . 1 399 55 40 LEU HA H 4.205 . 1 400 55 40 LEU HB2 H 1.863 . 2 401 55 40 LEU HB3 H 1.707 . 2 402 55 40 LEU HG H 1.626 . 1 403 55 40 LEU HD1 H 0.915 . 2 404 55 40 LEU HD2 H 0.827 . 2 405 55 40 LEU CA C 58.8400 . 1 406 55 40 LEU CB C 42.070 . 1 407 55 40 LEU CG C 27.98 . 1 408 55 40 LEU CD1 C 24.74 . 2 409 55 40 LEU CD2 C 26.66 . 2 410 55 40 LEU N N 123.9070 . 1 411 56 41 GLU H H 8.4420 . 1 412 56 41 GLU HA H 3.702 . 1 413 56 41 GLU HB2 H 2.315 . 2 414 56 41 GLU HB3 H 2.200 . 2 415 56 41 GLU HG2 H 2.175 . 2 416 56 41 GLU HG3 H 2.175 . 2 417 56 41 GLU CA C 61.4500 . 1 418 56 41 GLU CB C 30.3300 . 1 419 56 41 GLU CG C 37.22 . 1 420 56 41 GLU N N 121.7790 . 1 421 57 42 ILE H H 8.5310 . 1 422 57 42 ILE HA H 3.883 . 1 423 57 42 ILE HB H 1.995 . 1 424 57 42 ILE HG12 H 1.815 . 2 425 57 42 ILE HG13 H 1.217 . 2 426 57 42 ILE HG2 H 0.955 . 1 427 57 42 ILE HD1 H 0.893 . 1 428 57 42 ILE CA C 65.5500 . 1 429 57 42 ILE CB C 38.9500 . 1 430 57 42 ILE CG1 C 30.11 . 1 431 57 42 ILE CG2 C 17.84 . 1 432 57 42 ILE CD1 C 14.31 . 1 433 57 42 ILE N N 119.1330 . 1 434 58 43 SER H H 8.0270 . 1 435 58 43 SER HA H 4.322 . 1 436 58 43 SER HB2 H 4.157 . 2 437 58 43 SER HB3 H 4.157 . 2 438 58 43 SER CA C 62.9400 . 1 439 58 43 SER CB C 63.5000 . 1 440 58 43 SER N N 118.6220 . 1 441 59 44 ILE H H 8.5430 . 1 442 59 44 ILE HA H 3.628 . 1 443 59 44 ILE HB H 1.978 . 1 444 59 44 ILE HG12 H 1.686 . 2 445 59 44 ILE HG13 H 1.633 . 2 446 59 44 ILE HG2 H 0.924 . 1 447 59 44 ILE HD1 H 0.743 . 1 448 59 44 ILE CA C 66.9100 . 1 449 59 44 ILE CB C 39.1600 . 1 450 59 44 ILE CG1 C 28.09 . 1 451 59 44 ILE CG2 C 18.96 . 1 452 59 44 ILE CD1 C 15.70 . 1 453 59 44 ILE N N 126.4160 . 1 454 60 45 ASP H H 8.4060 . 1 455 60 45 ASP HA H 4.407 . 1 456 60 45 ASP HB2 H 2.799 . 2 457 60 45 ASP HB3 H 2.602 . 2 458 60 45 ASP CA C 58.2800 . 1 459 60 45 ASP CB C 40.7600 . 1 460 60 45 ASP N N 121.5630 . 1 461 61 46 ALA H H 8.5380 . 1 462 61 46 ALA HA H 4.202 . 1 463 61 46 ALA HB H 1.533 . 1 464 61 46 ALA CA C 55.7100 . 1 465 61 46 ALA CB C 18.6600 . 1 466 61 46 ALA N N 123.5000 . 1 467 62 47 LEU H H 7.8010 . 1 468 62 47 LEU HA H 4.294 . 1 469 62 47 LEU HB2 H 2.085 . 2 470 62 47 LEU HB3 H 1.684 . 2 471 62 47 LEU HG H 1.634 . 1 472 62 47 LEU HD1 H 1.046 . 2 473 62 47 LEU HD2 H 0.963 . 2 474 62 47 LEU CA C 58.6600 . 1 475 62 47 LEU CB C 41.1400 . 1 476 62 47 LEU CG C 28.45 . 1 477 62 47 LEU CD1 C 23.61 . 2 478 62 47 LEU CD2 C 27.47 . 2 479 62 47 LEU N N 121.9420 . 1 480 63 48 MET H H 8.2610 . 1 481 63 48 MET HA H 3.945 . 1 482 63 48 MET HB2 H 2.276 . 2 483 63 48 MET HB3 H 2.152 . 2 484 63 48 MET HG2 H 2.867 . 2 485 63 48 MET HG3 H 2.398 . 2 486 63 48 MET HE H 2.107 . 1 487 63 48 MET CA C 60.3300 . 1 488 63 48 MET CB C 33.1100 . 1 489 63 48 MET CG C 33.87 . 1 490 63 48 MET CE C 17.92 . 1 491 63 48 MET N N 118.0680 . 1 492 64 49 ALA H H 8.0450 . 1 493 64 49 ALA HA H 4.101 . 1 494 64 49 ALA HB H 1.497 . 1 495 64 49 ALA CA C 55.7700 . 1 496 64 49 ALA CB C 18.7700 . 1 497 64 49 ALA N N 120.4280 . 1 498 65 50 LYS H H 8.0630 . 1 499 65 50 LYS HA H 4.039 . 1 500 65 50 LYS HB2 H 2.014 . 2 501 65 50 LYS HB3 H 2.014 . 2 502 65 50 LYS HG2 H 1.619 . 2 503 65 50 LYS HG3 H 1.548 . 2 504 65 50 LYS HD2 H 1.660 . 2 505 65 50 LYS HD3 H 1.660 . 2 506 65 50 LYS HE2 H 2.969 . 2 507 65 50 LYS HE3 H 2.895 . 2 508 65 50 LYS CA C 60.5200 . 1 509 65 50 LYS CB C 33.6800 . 1 510 65 50 LYS CG C 26.41 . 1 511 65 50 LYS CD C 30.33 . 1 512 65 50 LYS CE C 42.31 . 1 513 65 50 LYS N N 121.9470 . 1 514 66 51 ILE H H 8.4370 . 1 515 66 51 ILE HA H 3.750 . 1 516 66 51 ILE HB H 1.930 . 1 517 66 51 ILE HG12 H 1.940 . 2 518 66 51 ILE HG13 H 1.033 . 2 519 66 51 ILE HG2 H 0.898 . 1 520 66 51 ILE HD1 H 0.799 . 1 521 66 51 ILE CA C 65.7400 . 1 522 66 51 ILE CB C 39.1200 . 1 523 66 51 ILE CG1 C 30.14 . 1 524 66 51 ILE CG2 C 18.41 . 1 525 66 51 ILE CD1 C 15.94 . 1 526 66 51 ILE N N 121.1890 . 1 527 67 52 LYS H H 7.6220 . 1 528 67 52 LYS HA H 4.136 . 1 529 67 52 LYS HB2 H 1.945 . 2 530 67 52 LYS HB3 H 1.900 . 2 531 67 52 LYS HG2 H 1.476 . 2 532 67 52 LYS HG3 H 1.476 . 2 533 67 52 LYS HD2 H 1.671 . 2 534 67 52 LYS HD3 H 1.671 . 2 535 67 52 LYS HE2 H 2.928 . 2 536 67 52 LYS HE3 H 2.928 . 2 537 67 52 LYS CA C 59.2100 . 1 538 67 52 LYS CB C 33.6800 . 1 539 67 52 LYS CG C 26.41 . 1 540 67 52 LYS CD C 29.940 . 1 541 67 52 LYS CE C 42.81 . 1 542 67 52 LYS N N 117.1190 . 1 543 68 53 SER H H 7.7500 . 1 544 68 53 SER HA H 4.602 . 1 545 68 53 SER HB2 H 3.999 . 2 546 68 53 SER HB3 H 3.932 . 2 547 68 53 SER CA C 59.9600 . 1 548 68 53 SER CB C 65.7500 . 1 549 68 53 SER N N 111.8240 . 1 550 69 54 THR H H 7.9720 . 1 551 69 54 THR HA H 4.596 . 1 552 69 54 THR HB H 4.216 . 1 553 69 54 THR HG2 H 1.204 . 1 554 69 54 THR CA C 62.4600 . 1 555 69 54 THR CB C 71.6500 . 1 556 69 54 THR CG2 C 22.240 . 1 557 69 54 THR N N 115.9160 . 1 558 70 55 MET H H 8.3060 . 1 559 70 55 MET HA H 4.551 . 1 560 70 55 MET HB2 H 2.075 . 2 561 70 55 MET HB3 H 1.945 . 2 562 70 55 MET HG2 H 2.557 . 2 563 70 55 MET HG3 H 2.466 . 2 564 70 55 MET HE H 2.066 . 1 565 70 55 MET CA C 56.0500 . 1 566 70 55 MET CB C 32.5000 . 1 567 70 55 MET CG C 32.89 . 1 568 70 55 MET CE C 17.65 . 1 569 70 55 MET N N 121.3430 . 1 570 71 56 MET H H 8.1140 . 1 571 71 56 MET HA H 4.706 . 1 572 71 56 MET HB2 H 2.106 . 2 573 71 56 MET HB3 H 1.849 . 2 574 71 56 MET HG2 H 2.378 . 2 575 71 56 MET HG3 H 2.378 . 2 576 71 56 MET HE H 1.850 . 1 577 71 56 MET CA C 55.8600 . 1 578 71 56 MET CB C 37.6200 . 1 579 71 56 MET CG C 33.10 . 1 580 71 56 MET CE C 17.65 . 1 581 71 56 MET N N 123.1960 . 1 582 72 57 THR H H 8.4860 . 1 583 72 57 THR HA H 4.483 . 1 584 72 57 THR HB H 4.756 . 1 585 72 57 THR HG2 H 1.319 . 1 586 72 57 THR CA C 61.0800 . 1 587 72 57 THR CB C 71.6700 . 1 588 72 57 THR CG2 C 22.64 . 1 589 72 57 THR N N 113.1580 . 1 590 73 58 ARG H H 8.9610 . 1 591 73 58 ARG HA H 3.909 . 1 592 73 58 ARG HB2 H 1.879 . 2 593 73 58 ARG HB3 H 1.792 . 2 594 73 58 ARG HG2 H 1.688 . 2 595 73 58 ARG HG3 H 1.584 . 2 596 73 58 ARG HD2 H 3.153 . 2 597 73 58 ARG HD3 H 3.132 . 2 598 73 58 ARG CA C 60.5200 . 1 599 73 58 ARG CB C 30.3300 . 1 600 73 58 ARG CG C 27.90 . 1 601 73 58 ARG CD C 44.03 . 1 602 73 58 ARG N N 121.9110 . 1 603 74 59 GLU H H 8.8330 . 1 604 74 59 GLU HA H 4.032 . 1 605 74 59 GLU HB2 H 2.078 . 2 606 74 59 GLU HB3 H 1.937 . 2 607 74 59 GLU HG2 H 2.389 . 2 608 74 59 GLU HG3 H 2.281 . 2 609 74 59 GLU CA C 60.8900 . 1 610 74 59 GLU CB C 29.9600 . 1 611 74 59 GLU CG C 37.340 . 1 612 74 59 GLU N N 118.9550 . 1 613 75 60 GLN H H 7.8010 . 1 614 75 60 GLN HA H 3.990 . 1 615 75 60 GLN HB2 H 2.348 . 2 616 75 60 GLN HB3 H 2.030 . 2 617 75 60 GLN HG2 H 2.464 . 2 618 75 60 GLN HG3 H 2.464 . 2 619 75 60 GLN CA C 59.4000 . 1 620 75 60 GLN CB C 29.3900 . 1 621 75 60 GLN CG C 34.81 . 1 622 75 60 GLN N N 121.0770 . 1 623 76 61 ILE H H 8.2500 . 1 624 76 61 ILE HA H 3.429 . 1 625 76 61 ILE HB H 1.849 . 1 626 76 61 ILE HG12 H 1.844 . 2 627 76 61 ILE HG13 H 0.907 . 2 628 76 61 ILE HG2 H 0.769 . 1 629 76 61 ILE HD1 H 0.837 . 1 630 76 61 ILE CA C 66.8600 . 1 631 76 61 ILE CB C 38.7100 . 1 632 76 61 ILE CG1 C 30.70 . 1 633 76 61 ILE CG2 C 18.21 . 1 634 76 61 ILE CD1 C 14.67 . 1 635 76 61 ILE N N 120.0160 . 1 636 77 62 GLN H H 8.2950 . 1 637 77 62 GLN HA H 3.767 . 1 638 77 62 GLN HB2 H 2.167 . 2 639 77 62 GLN HB3 H 2.167 . 2 640 77 62 GLN HG2 H 2.394 . 2 641 77 62 GLN HG3 H 2.394 . 2 642 77 62 GLN CA C 59.7700 . 1 643 77 62 GLN CB C 29.0800 . 1 644 77 62 GLN CG C 34.07 . 1 645 77 62 GLN N N 119.1530 . 1 646 78 63 LYS H H 7.8390 . 1 647 78 63 LYS HA H 4.154 . 1 648 78 63 LYS HB2 H 1.966 . 2 649 78 63 LYS HB3 H 1.966 . 2 650 78 63 LYS HG2 H 1.612 . 2 651 78 63 LYS HG3 H 1.454 . 2 652 78 63 LYS HD2 H 1.691 . 2 653 78 63 LYS HD3 H 1.691 . 2 654 78 63 LYS HE2 H 2.968 . 2 655 78 63 LYS HE3 H 2.968 . 2 656 78 63 LYS CA C 60.1500 . 1 657 78 63 LYS CB C 33.3100 . 1 658 78 63 LYS CG C 25.85 . 1 659 78 63 LYS CD C 29.78 . 1 660 78 63 LYS CE C 42.59 . 1 661 78 63 LYS N N 118.2000 . 1 662 79 64 GLU H H 7.8990 . 1 663 79 64 GLU HA H 4.142 . 1 664 79 64 GLU HB2 H 2.226 . 2 665 79 64 GLU HB3 H 1.970 . 2 666 79 64 GLU HG2 H 2.448 . 2 667 79 64 GLU HG3 H 2.430 . 2 668 79 64 GLU CA C 60.3300 . 1 669 79 64 GLU CB C 30.6100 . 1 670 79 64 GLU CG C 37.430 . 1 671 79 64 GLU N N 120.1330 . 1 672 80 65 TYR H H 9.0230 . 1 673 80 65 TYR HA H 3.942 . 1 674 80 65 TYR HB2 H 3.211 . 2 675 80 65 TYR HB3 H 2.852 . 2 676 80 65 TYR CA C 62.7600 . 1 677 80 65 TYR CB C 39.4700 . 1 678 80 65 TYR N N 122.5050 . 1 679 81 66 ASP H H 9.0890 . 1 680 81 66 ASP HA H 4.217 . 1 681 81 66 ASP HB2 H 2.851 . 2 682 81 66 ASP HB3 H 2.579 . 2 683 81 66 ASP CA C 58.1000 . 1 684 81 66 ASP CB C 40.6400 . 1 685 81 66 ASP N N 120.4970 . 1 686 82 67 ALA H H 7.6360 . 1 687 82 67 ALA HA H 4.187 . 1 688 82 67 ALA HB H 1.526 . 1 689 82 67 ALA CA C 55.8300 . 1 690 82 67 ALA CB C 18.9200 . 1 691 82 67 ALA N N 122.3970 . 1 692 83 68 LEU H H 7.7270 . 1 693 83 68 LEU HA H 4.145 . 1 694 83 68 LEU HB2 H 1.950 . 2 695 83 68 LEU HB3 H 1.254 . 2 696 83 68 LEU HG H 1.889 . 1 697 83 68 LEU HD1 H 0.860 . 2 698 83 68 LEU HD2 H 0.843 . 2 699 83 68 LEU CA C 58.2800 . 1 700 83 68 LEU CB C 42.8600 . 1 701 83 68 LEU CG C 27.53 . 1 702 83 68 LEU CD1 C 27.34 . 2 703 83 68 LEU CD2 C 24.21 . 2 704 83 68 LEU N N 121.8060 . 1 705 84 69 VAL H H 8.5600 . 1 706 84 69 VAL HA H 3.305 . 1 707 84 69 VAL HB H 1.975 . 1 708 84 69 VAL HG1 H 0.498 . 2 709 84 69 VAL HG2 H 0.810 . 2 710 84 69 VAL CA C 68.0400 . 1 711 84 69 VAL CB C 32.1900 . 1 712 84 69 VAL CG1 C 24.14 . 2 713 84 69 VAL CG2 C 21.95 . 2 714 84 69 VAL N N 123.5600 . 1 715 85 70 LYS H H 7.9560 . 1 716 85 70 LYS HA H 4.092 . 1 717 85 70 LYS HB2 H 1.941 . 2 718 85 70 LYS HB3 H 1.941 . 2 719 85 70 LYS HG2 H 1.589 . 2 720 85 70 LYS HG3 H 1.439 . 2 721 85 70 LYS HD2 H 1.699 . 2 722 85 70 LYS HD3 H 1.699 . 2 723 85 70 LYS HE2 H 2.948 . 2 724 85 70 LYS HE3 H 2.948 . 2 725 85 70 LYS CA C 60.2500 . 1 726 85 70 LYS CB C 32.7600 . 1 727 85 70 LYS CG C 25.81 . 1 728 85 70 LYS CD C 29.83 . 1 729 85 70 LYS CE C 42.59 . 1 730 85 70 LYS N N 121.3980 . 1 731 86 71 SER H H 8.2840 . 1 732 86 71 SER HA H 4.298 . 1 733 86 71 SER HB2 H 4.035 . 2 734 86 71 SER HB3 H 3.972 . 2 735 86 71 SER CA C 62.8100 . 1 736 86 71 SER CB C 63.6400 . 1 737 86 71 SER N N 114.8250 . 1 738 87 72 SER H H 8.4210 . 1 739 87 72 SER HA H 4.269 . 1 740 87 72 SER HB2 H 4.042 . 2 741 87 72 SER HB3 H 4.000 . 2 742 87 72 SER CA C 62.9400 . 1 743 87 72 SER CB C 63.8700 . 1 744 87 72 SER N N 118.8450 . 1 745 88 73 GLU H H 8.3760 . 1 746 88 73 GLU HA H 4.052 . 1 747 88 73 GLU HB2 H 2.228 . 2 748 88 73 GLU HB3 H 2.099 . 2 749 88 73 GLU HG2 H 2.447 . 2 750 88 73 GLU HG3 H 2.297 . 2 751 88 73 GLU CA C 60.2300 . 1 752 88 73 GLU CB C 30.2300 . 1 753 88 73 GLU CG C 37.31 . 1 754 88 73 GLU N N 124.8090 . 1 755 89 74 ASP H H 8.7340 . 1 756 89 74 ASP HA H 4.411 . 1 757 89 74 ASP HB2 H 2.815 . 2 758 89 74 ASP HB3 H 2.658 . 2 759 89 74 ASP CA C 57.9100 . 1 760 89 74 ASP CB C 40.5800 . 1 761 89 74 ASP N N 122.1930 . 1 762 90 75 LEU H H 7.9860 . 1 763 90 75 LEU HA H 4.290 . 1 764 90 75 LEU HB2 H 1.902 . 2 765 90 75 LEU HB3 H 1.704 . 2 766 90 75 LEU HG H 1.498 . 1 767 90 75 LEU HD1 H 0.907 . 2 768 90 75 LEU HD2 H 0.690 . 2 769 90 75 LEU CA C 58.5600 . 1 770 90 75 LEU CB C 42.0300 . 1 771 90 75 LEU CG C 28.24 . 1 772 90 75 LEU CD1 C 24.13 . 2 773 90 75 LEU CD2 C 26.540 . 2 774 90 75 LEU N N 123.2800 . 1 775 91 76 LEU H H 8.2800 . 1 776 91 76 LEU HA H 3.838 . 1 777 91 76 LEU HB2 H 1.790 . 2 778 91 76 LEU HB3 H 1.468 . 2 779 91 76 LEU HG H 1.497 . 1 780 91 76 LEU HD1 H 0.729 . 2 781 91 76 LEU HD2 H 0.594 . 2 782 91 76 LEU CA C 59.2000 . 1 783 91 76 LEU CB C 41.5100 . 1 784 91 76 LEU CG C 27.57 . 1 785 91 76 LEU CD1 C 25.82 . 2 786 91 76 LEU CD2 C 23.49 . 2 787 91 76 LEU N N 120.4880 . 1 788 92 77 SER H H 8.2190 . 1 789 92 77 SER HA H 4.235 . 1 790 92 77 SER HB2 H 4.039 . 2 791 92 77 SER HB3 H 3.981 . 2 792 92 77 SER CA C 62.200 . 1 793 92 77 SER CB C 63.4400 . 1 794 92 77 SER N N 113.8170 . 1 795 93 78 ALA H H 7.9490 . 1 796 93 78 ALA HA H 4.166 . 1 797 93 78 ALA HB H 1.586 . 1 798 93 78 ALA CA C 55.8600 . 1 799 93 78 ALA CB C 18.7600 . 1 800 93 78 ALA N N 124.9020 . 1 801 94 79 LEU H H 8.5870 . 1 802 94 79 LEU HA H 4.067 . 1 803 94 79 LEU HB2 H 1.968 . 2 804 94 79 LEU HB3 H 1.471 . 2 805 94 79 LEU HG H 1.857 . 1 806 94 79 LEU HD1 H 0.855 . 2 807 94 79 LEU HD2 H 0.835 . 2 808 94 79 LEU CA C 58.4700 . 1 809 94 79 LEU CB C 42.6100 . 1 810 94 79 LEU CG C 27.64 . 1 811 94 79 LEU CD1 C 24.34 . 2 812 94 79 LEU CD2 C 26.79 . 2 813 94 79 LEU N N 120.6020 . 1 814 95 80 GLN H H 8.5610 . 1 815 95 80 GLN HA H 4.048 . 1 816 95 80 GLN HB2 H 2.268 . 2 817 95 80 GLN HB3 H 2.268 . 2 818 95 80 GLN HG2 H 2.542 . 2 819 95 80 GLN HG3 H 2.363 . 2 820 95 80 GLN CA C 59.5900 . 1 821 95 80 GLN CB C 28.8400 . 1 822 95 80 GLN CG C 34.79 . 1 823 95 80 GLN N N 119.5250 . 1 824 96 81 LYS H H 8.0030 . 1 825 96 81 LYS HA H 4.137 . 1 826 96 81 LYS HB2 H 1.936 . 2 827 96 81 LYS HB3 H 1.936 . 2 828 96 81 LYS HG2 H 1.588 . 2 829 96 81 LYS HG3 H 1.588 . 2 830 96 81 LYS HD2 H 1.697 . 2 831 96 81 LYS HD3 H 1.697 . 2 832 96 81 LYS HE2 H 2.948 . 2 833 96 81 LYS HE3 H 2.948 . 2 834 96 81 LYS CA C 60.0500 . 1 835 96 81 LYS CB C 32.9400 . 1 836 96 81 LYS CG C 26.040 . 1 837 96 81 LYS CD C 29.95 . 1 838 96 81 LYS CE C 42.81 . 1 839 96 81 LYS N N 121.0750 . 1 840 97 82 LYS H H 7.9030 . 1 841 97 82 LYS HA H 4.125 . 1 842 97 82 LYS HB2 H 2.043 . 2 843 97 82 LYS HB3 H 1.945 . 2 844 97 82 LYS HG2 H 1.473 . 2 845 97 82 LYS HG3 H 1.473 . 2 846 97 82 LYS HD2 H 1.700 . 2 847 97 82 LYS HD3 H 1.700 . 2 848 97 82 LYS HE2 H 3.002 . 2 849 97 82 LYS HE3 H 3.002 . 2 850 97 82 LYS CA C 59.9700 . 1 851 97 82 LYS CB C 33.1200 . 1 852 97 82 LYS CG C 25.480 . 1 853 97 82 LYS CD C 29.390 . 1 854 97 82 LYS CE C 42.81 . 1 855 97 82 LYS N N 121.4150 . 1 856 98 83 LYS H H 8.2020 . 1 857 98 83 LYS HA H 3.982 . 1 858 98 83 LYS HB2 H 2.043 . 2 859 98 83 LYS HB3 H 1.945 . 2 860 98 83 LYS HG2 H 1.472 . 2 861 98 83 LYS HG3 H 1.472 . 2 862 98 83 LYS HD2 H 1.793 . 2 863 98 83 LYS HD3 H 1.793 . 2 864 98 83 LYS HE2 H 3.002 . 2 865 98 83 LYS HE3 H 3.002 . 2 866 98 83 LYS CA C 60.0100 . 1 867 98 83 LYS CB C 33.1200 . 1 868 98 83 LYS CG C 25.26 . 1 869 98 83 LYS CD C 30.20 . 1 870 98 83 LYS CE C 42.81 . 1 871 98 83 LYS N N 121.0810 . 1 872 99 84 GLN H H 8.1250 . 1 873 99 84 GLN HA H 4.124 . 1 874 99 84 GLN HB2 H 2.227 . 2 875 99 84 GLN HB3 H 2.227 . 2 876 99 84 GLN HG2 H 2.538 . 2 877 99 84 GLN HG3 H 2.410 . 2 878 99 84 GLN CA C 59.8100 . 1 879 99 84 GLN CB C 28.9600 . 1 880 99 84 GLN CG C 34.62 . 1 881 99 84 GLN N N 119.5760 . 1 882 100 85 GLN H H 8.3410 . 1 883 100 85 GLN HA H 4.121 . 1 884 100 85 GLN HB2 H 2.310 . 2 885 100 85 GLN HB3 H 2.173 . 2 886 100 85 GLN HG2 H 2.599 . 2 887 100 85 GLN HG3 H 2.432 . 2 888 100 85 GLN CA C 59.5900 . 1 889 100 85 GLN CB C 29.0200 . 1 890 100 85 GLN CG C 35.00 . 1 891 100 85 GLN N N 120.0090 . 1 892 101 86 GLU H H 8.2750 . 1 893 101 86 GLU HA H 4.135 . 1 894 101 86 GLU HB2 H 2.255 . 2 895 101 86 GLU HB3 H 2.127 . 2 896 101 86 GLU HG2 H 2.659 . 2 897 101 86 GLU HG3 H 2.273 . 2 898 101 86 GLU CA C 60.4300 . 1 899 101 86 GLU CB C 30.1400 . 1 900 101 86 GLU CG C 37.80 . 1 901 101 86 GLU N N 121.7180 . 1 902 102 87 GLU H H 8.3300 . 1 903 102 87 GLU HA H 4.116 . 1 904 102 87 GLU HB2 H 2.258 . 2 905 102 87 GLU HB3 H 2.070 . 2 906 102 87 GLU HG2 H 2.541 . 2 907 102 87 GLU HG3 H 2.541 . 2 908 102 87 GLU CA C 59.9600 . 1 909 102 87 GLU CB C 30.2900 . 1 910 102 87 GLU CG C 37.47 . 1 911 102 87 GLU N N 121.4120 . 1 912 103 88 GLU H H 8.2880 . 1 913 103 88 GLU HA H 4.099 . 1 914 103 88 GLU HB2 H 2.091 . 2 915 103 88 GLU HB3 H 2.091 . 2 916 103 88 GLU HG2 H 2.345 . 2 917 103 88 GLU HG3 H 2.345 . 2 918 103 88 GLU CA C 59.4000 . 1 919 103 88 GLU CB C 30.1400 . 1 920 103 88 GLU CG C 36.850 . 1 921 103 88 GLU N N 121.4420 . 1 stop_ save_