data_18614 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of Myo10 anti-CC ; _BMRB_accession_number 18614 _BMRB_flat_file_name bmr18614.str _Entry_type original _Submission_date 2012-07-25 _Accession_date 2012-07-25 _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 Ye Fei . . 2 Lu Qing . . 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" 283 "13C chemical shifts" 155 "15N chemical shifts" 51 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2012-12-12 update BMRB 'update assembly and entity as homodimer' 2012-09-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Antiparallel coiled-coil-mediated dimerization of myosin X.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23012428 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu Qing . . 2 Ye Fei . . 3 Wei Zhiyi . . 4 Wen Zilong . . 5 Zhang Mingjie . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 109 _Journal_issue 43 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17388 _Page_last 17393 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Myo10 anti-CC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Myo10 anti-CC, 1' $Myo10_anti-CC 'Myo10 anti-CC, 2' $Myo10_anti-CC 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_Myo10_anti-CC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 6339.12 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 51 _Mol_residue_sequence ; ENKQVEEILRLEKEIEDLQR MKEQQELSLTEASLQKLQER RDQELRRLEEE ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ASN 3 LYS 4 GLN 5 VAL 6 GLU 7 GLU 8 ILE 9 LEU 10 ARG 11 LEU 12 GLU 13 LYS 14 GLU 15 ILE 16 GLU 17 ASP 18 LEU 19 GLN 20 ARG 21 MET 22 LYS 23 GLU 24 GLN 25 GLN 26 GLU 27 LEU 28 SER 29 LEU 30 THR 31 GLU 32 ALA 33 SER 34 LEU 35 GLN 36 LYS 37 LEU 38 GLN 39 GLU 40 ARG 41 ARG 42 ASP 43 GLN 44 GLU 45 LEU 46 ARG 47 ARG 48 LEU 49 GLU 50 GLU 51 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2LW9 "Nmr Solution Structure Of Myo10 Anti-cc" 100.00 51 100.00 100.00 4.45e-21 DBJ BAA34519 "KIAA0799 protein [Homo sapiens]" 100.00 2111 100.00 100.00 7.62e-20 DBJ BAG10382 "myosin-X [synthetic construct]" 100.00 2058 100.00 100.00 8.83e-20 DBJ BAH12170 "unnamed protein product [Homo sapiens]" 100.00 1415 100.00 100.00 8.87e-20 DBJ BAH14509 "unnamed protein product [Homo sapiens]" 100.00 1415 100.00 100.00 8.78e-20 EMBL CAH10611 "hypothetical protein [Homo sapiens]" 100.00 1698 100.00 100.00 9.03e-20 GB AAF36524 "myosin X [Homo sapiens]" 100.00 1540 100.00 100.00 9.34e-20 GB AAF37875 "myosin X [Homo sapiens]" 100.00 2058 100.00 100.00 8.83e-20 GB AAF68025 "myosin X [Homo sapiens]" 100.00 2058 100.00 100.00 8.33e-20 GB AAI37169 "Myosin X [Homo sapiens]" 100.00 2058 100.00 100.00 8.83e-20 GB AAI50286 "Myosin X [Homo sapiens]" 100.00 2058 100.00 100.00 8.83e-20 REF NP_036466 "unconventional myosin-X [Homo sapiens]" 100.00 2058 100.00 100.00 8.83e-20 REF XP_001175408 "PREDICTED: unconventional myosin-X isoform X2 [Pan troglodytes]" 100.00 2058 100.00 100.00 8.18e-20 REF XP_002745141 "PREDICTED: unconventional myosin-X [Callithrix jacchus]" 100.00 2058 98.04 100.00 2.35e-19 REF XP_002804360 "PREDICTED: myosin-X-like [Macaca mulatta]" 100.00 2058 98.04 100.00 2.35e-19 REF XP_003263225 "PREDICTED: LOW QUALITY PROTEIN: unconventional myosin-X [Nomascus leucogenys]" 100.00 2059 100.00 100.00 8.66e-20 SP Q9HD67 "RecName: Full=Unconventional myosin-X; AltName: Full=Unconventional myosin-10" 100.00 2058 100.00 100.00 8.83e-20 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Myo10_anti-CC 'E. coli' 562 Bacteria . Escherichia coli 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 $Myo10_anti-CC 'recombinant technology' . Escherichia coli . pET32 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 $Myo10_anti-CC 0.8 mM '[U-100% 13C; U-100% 15N]' 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 'structure solution' 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 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter 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 INOVA _Field_strength 800 _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_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . 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 water C 13 protons ppm 4.72 internal indirect . . . 0.25 water H 1 protons ppm 4.72 internal direct . . . 1 water N 15 protons ppm 4.72 internal indirect . . . 0.10 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 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 'Myo10 anti-CC, 1' _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 GLU HA H 4.2900 . 1 2 1 1 GLU HB2 H 1.9890 . 2 3 1 1 GLU HB3 H 2.0700 . 2 4 1 1 GLU HG2 H 2.3120 . 2 5 1 1 GLU HG3 H 2.2290 . 2 6 1 1 GLU H H 8.7040 . 1 7 1 1 GLU CA C 57.7100 . 1 8 1 1 GLU CB C 30.2480 . 1 9 1 1 GLU CG C 36.7290 . 1 10 1 1 GLU N N 122.8780 . 1 11 2 2 ASN H H 8.5310 . 1 12 2 2 ASN HA H 4.6090 . 1 13 2 2 ASN HB2 H 2.7530 . 2 14 2 2 ASN HB3 H 2.8800 . 2 15 2 2 ASN CA C 54.6640 . 1 16 2 2 ASN CB C 38.3850 . 1 17 2 2 ASN N N 119.6970 . 1 18 3 3 LYS H H 8.3090 . 1 19 3 3 LYS HA H 4.0560 . 1 20 3 3 LYS HB2 H 1.8800 . . 21 3 3 LYS HB3 H 1.8800 . . 22 3 3 LYS HG2 H 1.5230 . 2 23 3 3 LYS HG3 H 1.4390 . 2 24 3 3 LYS HD2 H 1.6890 . . 25 3 3 LYS HD3 H 1.6890 . . 26 3 3 LYS HE2 H 2.9760 . . 27 3 3 LYS HE3 H 2.9760 . . 28 3 3 LYS CA C 59.1200 . 1 29 3 3 LYS CB C 31.0180 . 1 30 3 3 LYS CG C 24.6600 . 1 31 3 3 LYS CD C 29.1100 . 1 32 3 3 LYS CE C 44.0250 . 1 33 3 3 LYS N N 122.6700 . 1 34 4 4 GLN H H 8.1140 . 1 35 4 4 GLN HA H 4.1110 . 1 36 4 4 GLN HB2 H 2.0460 . 2 37 4 4 GLN HB3 H 2.2270 . 2 38 4 4 GLN HG2 H 2.4130 . 2 39 4 4 GLN HG3 H 2.4580 . 2 40 4 4 GLN CA C 59.1700 . 1 41 4 4 GLN CB C 28.9800 . 1 42 4 4 GLN CG C 34.9160 . 1 43 4 4 GLN N N 118.7610 . 1 44 5 5 VAL H H 7.7920 . 1 45 5 5 VAL HA H 3.4920 . 1 46 5 5 VAL HB H 2.2190 . 1 47 5 5 VAL HG1 H 1.0620 . . 48 5 5 VAL HG2 H 0.8840 . . 49 5 5 VAL CA C 66.9900 . 1 50 5 5 VAL CB C 32.0590 . 1 51 5 5 VAL CG1 C 24.1100 . 2 52 5 5 VAL CG2 C 20.9600 . 2 53 5 5 VAL N N 119.2750 . 1 54 6 6 GLU H H 8.0830 . 1 55 6 6 GLU HA H 3.9570 . 1 56 6 6 GLU HB2 H 2.0610 . 2 57 6 6 GLU HB3 H 2.1110 . 2 58 6 6 GLU HG2 H 2.3960 . . 59 6 6 GLU HG3 H 2.3960 . . 60 6 6 GLU CA C 59.1900 . 1 61 6 6 GLU CB C 28.9800 . 1 62 6 6 GLU CG C 36.0230 . 1 63 6 6 GLU N N 120.1240 . 1 64 7 7 GLU H H 8.1260 . 1 65 7 7 GLU HA H 4.3090 . 1 66 7 7 GLU HB2 H 2.1680 . 2 67 7 7 GLU HB3 H 2.0530 . 2 68 7 7 GLU HG2 H 2.3290 . 2 69 7 7 GLU HG3 H 2.3700 . 2 70 7 7 GLU CA C 58.8900 . 1 71 7 7 GLU CB C 29.5900 . 1 72 7 7 GLU CG C 35.5680 . 1 73 7 7 GLU N N 121.3980 . 1 74 8 8 ILE H H 7.7670 . 1 75 8 8 ILE HA H 3.5900 . 1 76 8 8 ILE HB H 1.9920 . 1 77 8 8 ILE HG12 H 1.0970 . 2 78 8 8 ILE HG13 H 1.8730 . 2 79 8 8 ILE HG2 H 0.8950 . . 80 8 8 ILE HD1 H 0.8140 . . 81 8 8 ILE CA C 65.8500 . 1 82 8 8 ILE CB C 37.6780 . 1 83 8 8 ILE CG1 C 30.7420 . 1 84 8 8 ILE CG2 C 18.2600 . 1 85 8 8 ILE CD1 C 15.0700 . 1 86 8 8 ILE N N 120.5530 . 1 87 9 9 LEU H H 7.7840 . 1 88 9 9 LEU HA H 4.0200 . 1 89 9 9 LEU HB2 H 1.4890 . 2 90 9 9 LEU HB3 H 1.8330 . 2 91 9 9 LEU HG H 1.7410 . 1 92 9 9 LEU HD1 H 0.7970 . . 93 9 9 LEU HD2 H 0.7920 . . 94 9 9 LEU CA C 57.9400 . 1 95 9 9 LEU CB C 41.0870 . 1 96 9 9 LEU CG C 27.5500 . 1 97 9 9 LEU CD1 C 22.8600 . 2 98 9 9 LEU CD2 C 23.2600 . 2 99 9 9 LEU N N 118.7120 . 1 100 10 10 ARG H H 8.1400 . 1 101 10 10 ARG HA H 4.0230 . 1 102 10 10 ARG HB2 H 2.0810 . 2 103 10 10 ARG HB3 H 1.9300 . 2 104 10 10 ARG HG2 H 1.7330 . 2 105 10 10 ARG HG3 H 1.5620 . 2 106 10 10 ARG HD2 H 3.1010 . 2 107 10 10 ARG HD3 H 3.3040 . 2 108 10 10 ARG CA C 59.7400 . 1 109 10 10 ARG CB C 29.3200 . 1 110 10 10 ARG CG C 26.9200 . 1 111 10 10 ARG CD C 45.105 . 1 112 10 10 ARG N N 121.1940 . 1 113 11 11 LEU H H 8.3430 . 1 114 11 11 LEU HA H 4.0670 . 1 115 11 11 LEU HB2 H 1.2960 . 2 116 11 11 LEU HB3 H 2.1020 . 2 117 11 11 LEU HG H 1.8610 . 1 118 11 11 LEU HD1 H 0.8470 . . 119 11 11 LEU HD2 H 0.9360 . . 120 11 11 LEU CA C 58.2400 . 1 121 11 11 LEU CB C 42.2190 . 1 122 11 11 LEU CG C 27.5500 . 1 123 11 11 LEU CD1 C 25.0400 . 2 124 11 11 LEU CD2 C 23.9200 . 2 125 11 11 LEU N N 121.2220 . 1 126 12 12 GLU H H 8.5220 . 1 127 12 12 GLU HA H 3.8770 . 1 128 12 12 GLU HB2 H 2.2210 . 2 129 12 12 GLU HB3 H 2.0810 . 2 130 12 12 GLU HG2 H 2.6110 . 2 131 12 12 GLU HG3 H 2.1790 . 2 132 12 12 GLU CA C 60.4600 . 1 133 12 12 GLU CB C 29.8300 . 1 134 12 12 GLU CG C 37.6920 . 1 135 12 12 GLU N N 117.6130 . 1 136 13 13 LYS H H 7.6660 . 1 137 13 13 LYS HA H 4.1480 . 1 138 13 13 LYS HB2 H 2.0230 . 2 139 13 13 LYS HB3 H 1.9870 . 2 140 13 13 LYS HG2 H 1.5190 . 2 141 13 13 LYS HG3 H 1.5710 . 2 142 13 13 LYS HD2 H 1.7310 . 2 143 13 13 LYS HD3 H 1.6810 . 2 144 13 13 LYS HE2 H 2.9900 . . 145 13 13 LYS HE3 H 2.9900 . . 146 13 13 LYS CA C 58.7600 . 1 147 13 13 LYS CB C 31.7630 . 1 148 13 13 LYS CG C 24.6200 . 1 149 13 13 LYS CD C 28.7700 . 1 150 13 13 LYS CE C 44.2850 . 1 151 13 13 LYS N N 120.5330 . 1 152 14 14 GLU H H 8.1830 . 1 153 14 14 GLU HA H 4.0960 . 1 154 14 14 GLU HB2 H 2.1640 . 2 155 14 14 GLU HB3 H 2.1840 . 2 156 14 14 GLU HG2 H 2.4450 . 2 157 14 14 GLU HG3 H 2.2730 . 2 158 14 14 GLU CA C 59.7800 . 1 159 14 14 GLU CB C 29.6400 . 1 160 14 14 GLU CG C 36.1170 . 1 161 14 14 GLU N N 121.2660 . 1 162 15 15 ILE H H 8.6640 . 1 163 15 15 ILE HA H 3.4590 . 1 164 15 15 ILE HB H 1.9010 . 1 165 15 15 ILE HG12 H 1.9490 . . 166 15 15 ILE HG13 H 1.9490 . . 167 15 15 ILE HG2 H 0.9250 . . 168 15 15 ILE HD1 H 0.7360 . . 169 15 15 ILE CA C 66.4500 . 1 170 15 15 ILE CB C 38.6110 . 1 171 15 15 ILE CG1 C 32.3090 . 1 172 15 15 ILE CG2 C 17.4900 . 1 173 15 15 ILE CD1 C 13.7800 . 1 174 15 15 ILE N N 119.3970 . 1 175 16 16 GLU H H 7.8290 . 1 176 16 16 GLU HA H 4.0810 . 1 177 16 16 GLU HB2 H 2.1890 . . 178 16 16 GLU HB3 H 2.1890 . . 179 16 16 GLU HG2 H 2.4380 . 2 180 16 16 GLU HG3 H 2.2950 . 2 181 16 16 GLU CA C 59.5800 . 1 182 16 16 GLU CB C 29.6400 . 1 183 16 16 GLU CG C 36.3280 . 1 184 16 16 GLU N N 119.3840 . 1 185 17 17 ASP H H 8.3640 . 1 186 17 17 ASP HA H 4.4460 . 1 187 17 17 ASP HB2 H 2.6470 . 2 188 17 17 ASP HB3 H 2.8780 . 2 189 17 17 ASP CA C 57.7000 . 1 190 17 17 ASP CB C 40.2280 . 1 191 17 17 ASP N N 120.2280 . 1 192 18 18 LEU H H 8.3040 . 1 193 18 18 LEU HA H 4.1530 . 1 194 18 18 LEU HB2 H 2.0060 . 2 195 18 18 LEU HB3 H 1.3120 . 2 196 18 18 LEU HG H 1.9510 . 1 197 18 18 LEU HD1 H 0.8720 . . 198 18 18 LEU HD2 H 0.8570 . . 199 18 18 LEU CA C 58.2800 . 1 200 18 18 LEU CB C 42.4400 . 1 201 18 18 LEU CG C 26.6500 . 1 202 18 18 LEU CD1 C 22.5900 . 2 203 18 18 LEU CD2 C 26.9500 . 2 204 18 18 LEU N N 121.7060 . 1 205 19 19 GLN H H 8.9250 . 1 206 19 19 GLN HA H 3.9220 . 1 207 19 19 GLN HB2 H 2.0480 . 2 208 19 19 GLN HB3 H 2.3840 . 2 209 19 19 GLN HG2 H 2.3860 . 2 210 19 19 GLN HG3 H 2.5160 . 2 211 19 19 GLN CA C 59.5700 . 1 212 19 19 GLN CB C 28.1700 . 1 213 19 19 GLN CG C 34.0340 . 1 214 19 19 GLN N N 120.1070 . 1 215 20 20 ARG H H 8.2220 . 1 216 20 20 ARG HA H 4.1410 . 1 217 20 20 ARG HB2 H 1.7040 . 2 218 20 20 ARG HB3 H 1.8560 . 2 219 20 20 ARG HG2 H 1.9870 . 2 220 20 20 ARG HG3 H 2.0490 . 2 221 20 20 ARG HD2 H 3.2670 . . 222 20 20 ARG HD3 H 3.2670 . . 223 20 20 ARG CA C 59.4300 . 1 224 20 20 ARG CB C 29.3900 . 1 225 20 20 ARG CG C 30.2560 . 1 226 20 20 ARG CD C 45.3350 . 1 227 20 20 ARG N N 119.9040 . 1 228 21 21 MET H H 7.8780 . 1 229 21 21 MET HA H 4.1660 . 1 230 21 21 MET HB2 H 2.1810 . 2 231 21 21 MET HB3 H 2.3240 . 2 232 21 21 MET HG2 H 2.5610 . 2 233 21 21 MET HG3 H 2.7030 . 2 234 21 21 MET HE H 2.0840 . . 235 21 21 MET CA C 58.9800 . 1 236 21 21 MET CB C 33.0500 . 1 237 21 21 MET CG C 32.0790 . 1 238 21 21 MET CE C 16.9400 . 1 239 21 21 MET N N 119.7970 . 1 240 22 22 LYS H H 8.7410 . 1 241 22 22 LYS HA H 3.6950 . 1 242 22 22 LYS HB2 H 1.8020 . 2 243 22 22 LYS HB3 H 2.0850 . 2 244 22 22 LYS HG2 H 1.5300 . . 245 22 22 LYS HG3 H 1.5300 . . 246 22 22 LYS HD2 H 1.8150 . 2 247 22 22 LYS HD3 H 1.5220 . 2 248 22 22 LYS HE2 H 2.9360 . . 249 22 22 LYS HE3 H 2.9360 . . 250 22 22 LYS CA C 60.6000 . 1 251 22 22 LYS CB C 31.8810 . 1 252 22 22 LYS CG C 24.8900 . 1 253 22 22 LYS CD C 29.3300 . 1 254 22 22 LYS CE C 43.2150 . 1 255 22 22 LYS N N 121.7180 . 1 256 23 23 GLU H H 8.3520 . 1 257 23 23 GLU HA H 4.1270 . 1 258 23 23 GLU HB2 H 2.1980 . 2 259 23 23 GLU HB3 H 2.2570 . 2 260 23 23 GLU HG2 H 2.4710 . . 261 23 23 GLU HG3 H 2.4710 . . 262 23 23 GLU CA C 59.3900 . 1 263 23 23 GLU CB C 29.6400 . 1 264 23 23 GLU CG C 36.3210 . 1 265 23 23 GLU N N 119.0390 . 1 266 24 24 GLN H H 7.9460 . 1 267 24 24 GLN HA H 4.0000 . 1 268 24 24 GLN HB2 H 2.1880 . 2 269 24 24 GLN HB3 H 2.2420 . 2 270 24 24 GLN HG2 H 2.4450 . 2 271 24 24 GLN HG3 H 2.5100 . 2 272 24 24 GLN CA C 58.8900 . 1 273 24 24 GLN CB C 28.3700 . 1 274 24 24 GLN CG C 34.0350 . 1 275 24 24 GLN N N 117.5750 . 1 276 25 25 GLN H H 8.0850 . 1 277 25 25 GLN HA H 4.0750 . 1 278 25 25 GLN HB2 H 2.1030 . . 279 25 25 GLN HB3 H 2.1030 . . 280 25 25 GLN HG2 H 2.4240 . . 281 25 25 GLN HG3 H 2.4240 . . 282 25 25 GLN CA C 58.7600 . 1 283 25 25 GLN CB C 28.7900 . 1 284 25 25 GLN CG C 34.2580 . 1 285 25 25 GLN N N 118.6730 . 1 286 26 26 GLU H H 8.6150 . 1 287 26 26 GLU HA H 3.7850 . 1 288 26 26 GLU HB2 H 2.0190 . 2 289 26 26 GLU HB3 H 2.2240 . 2 290 26 26 GLU HG2 H 2.1020 . 2 291 26 26 GLU HG3 H 2.3390 . 2 292 26 26 GLU CA C 60.0400 . 1 293 26 26 GLU CB C 29.9600 . 1 294 26 26 GLU CG C 37.4440 . 1 295 26 26 GLU N N 121.4790 . 1 296 27 27 LEU H H 7.9010 . 1 297 27 27 LEU HA H 4.2060 . 1 298 27 27 LEU HB2 H 1.8460 . 2 299 27 27 LEU HB3 H 1.6180 . 2 300 27 27 LEU HG H 1.8870 . 1 301 27 27 LEU HD1 H 0.9040 . . 302 27 27 LEU HD2 H 0.8980 . . 303 27 27 LEU CA C 56.9700 . 1 304 27 27 LEU CB C 41.9860 . 1 305 27 27 LEU CG C 27.0700 . 1 306 27 27 LEU CD1 C 25.3900 . 2 307 27 27 LEU CD2 C 23.0500 . 2 308 27 27 LEU N N 117.8300 . 1 309 28 28 SER H H 7.4040 . 1 310 28 28 SER HA H 4.5060 . 1 311 28 28 SER HB2 H 4.0060 . 2 312 28 28 SER HB3 H 3.9560 . 2 313 28 28 SER CA C 58.7000 . 1 314 28 28 SER CB C 64.0300 . 1 315 28 28 SER N N 112.1950 . 1 316 29 29 LEU H H 7.2030 . 1 317 29 29 LEU HA H 4.3980 . 1 318 29 29 LEU HB2 H 1.4840 . 2 319 29 29 LEU HB3 H 1.8840 . 2 320 29 29 LEU HG H 2.0890 . 1 321 29 29 LEU HD1 H 0.7670 . . 322 29 29 LEU HD2 H 0.8260 . . 323 29 29 LEU CA C 55.2140 . 1 324 29 29 LEU CB C 42.5020 . 1 325 29 29 LEU CG C 25.7000 . 1 326 29 29 LEU CD1 C 23.0900 . 2 327 29 29 LEU CD2 C 26.5300 . 2 328 29 29 LEU N N 121.9540 . 1 329 30 30 THR H H 8.1820 . 1 330 30 30 THR HA H 4.4190 . 1 331 30 30 THR HB H 4.7000 . 1 332 30 30 THR HG2 H 1.4390 . . 333 30 30 THR CA C 60.8600 . 1 334 30 30 THR CB C 70.9600 . 1 335 30 30 THR CG2 C 21.7700 . 1 336 30 30 THR N N 111.7030 . 1 337 31 31 GLU H H 8.9010 . 1 338 31 31 GLU HA H 3.9960 . 1 339 31 31 GLU HB2 H 2.0590 . 2 340 31 31 GLU HB3 H 2.1080 . 2 341 31 31 GLU HG2 H 2.2920 . 2 342 31 31 GLU HG3 H 2.3720 . 2 343 31 31 GLU CA C 60.3500 . 1 344 31 31 GLU CB C 29.6500 . 1 345 31 31 GLU CG C 36.4560 . 1 346 31 31 GLU N N 121.2110 . 1 347 32 32 ALA H H 8.4520 . 1 348 32 32 ALA HA H 4.2100 . 1 349 32 32 ALA HB H 1.4420 . . 350 32 32 ALA CA C 55.1200 . 1 351 32 32 ALA CB C 18.1800 . 1 352 32 32 ALA N N 120.3700 . 1 353 33 33 SER H H 7.8230 . 1 354 33 33 SER HA H 4.2290 . 1 355 33 33 SER HB2 H 3.7640 . 2 356 33 33 SER HB3 H 4.0790 . 2 357 33 33 SER CA C 61.6900 . 1 358 33 33 SER CB C 63.3800 . 1 359 33 33 SER N N 116.3050 . 1 360 34 34 LEU H H 8.6940 . 1 361 34 34 LEU HA H 4.0240 . 1 362 34 34 LEU HB2 H 1.6890 . 2 363 34 34 LEU HB3 H 1.7820 . 2 364 34 34 LEU HG H 1.5980 . 1 365 34 34 LEU HD1 H 0.9080 . . 366 34 34 LEU HD2 H 0.9320 . . 367 34 34 LEU CA C 58.1500 . 1 368 34 34 LEU CB C 41.2850 . 1 369 34 34 LEU CG C 26.6500 . 1 370 34 34 LEU CD1 C 24.2900 . 2 371 34 34 LEU CD2 C 24.0300 . 2 372 34 34 LEU N N 124.7500 . 1 373 35 35 GLN H H 7.9310 . 1 374 35 35 GLN HA H 4.0920 . 1 375 35 35 GLN HB2 H 2.1590 . 2 376 35 35 GLN HB3 H 2.2040 . 2 377 35 35 GLN HG2 H 2.5170 . 2 378 35 35 GLN HG3 H 2.4020 . 2 379 35 35 GLN CA C 58.9600 . 1 380 35 35 GLN CB C 28.0000 . 1 381 35 35 GLN CG C 33.7190 . 1 382 35 35 GLN N N 119.1450 . 1 383 36 36 LYS H H 7.5660 . 1 384 36 36 LYS HA H 4.1570 . 1 385 36 36 LYS HB2 H 2.0210 . . 386 36 36 LYS HB3 H 2.0210 . . 387 36 36 LYS HG2 H 1.5850 . . 388 36 36 LYS HG3 H 1.5850 . . 389 36 36 LYS HD2 H 1.7790 . . 390 36 36 LYS HD3 H 1.7790 . . 391 36 36 LYS HE2 H 2.9720 . . 392 36 36 LYS HE3 H 2.9720 . . 393 36 36 LYS CA C 58.3800 . 1 394 36 36 LYS CB C 31.9220 . 1 395 36 36 LYS CG C 24.4700 . 1 396 36 36 LYS CD C 27.9100 . 1 397 36 36 LYS CE C 43.9650 . 1 398 36 36 LYS N N 120.0620 . 1 399 37 37 LEU H H 8.4100 . 1 400 37 37 LEU HA H 4.0180 . 1 401 37 37 LEU HB2 H 1.5360 . 2 402 37 37 LEU HB3 H 2.1680 . 2 403 37 37 LEU HD1 H 0.9430 . . 404 37 37 LEU HD2 H 0.9260 . . 405 37 37 LEU CA C 56.9200 . 1 406 37 37 LEU CB C 41.6820 . 1 407 37 37 LEU CG C 24.9800 . 1 408 37 37 LEU CD1 C 26.3700 . 2 409 37 37 LEU CD2 C 23.8300 . 2 410 37 37 LEU N N 121.2110 . 1 411 38 38 GLN H H 8.0430 . 1 412 38 38 GLN HA H 3.9600 . 1 413 38 38 GLN HB2 H 2.1590 . 2 414 38 38 GLN HB3 H 2.2320 . 2 415 38 38 GLN HG2 H 2.3870 . . 416 38 38 GLN HG3 H 2.3870 . . 417 38 38 GLN CA C 58.7900 . 1 418 38 38 GLN CB C 28.1600 . 1 419 38 38 GLN CG C 34.0770 . 1 420 38 38 GLN N N 118.1990 . 1 421 39 39 GLU H H 8.4000 . 1 422 39 39 GLU HA H 4.1130 . 1 423 39 39 GLU HB2 H 2.1750 . 2 424 39 39 GLU HB3 H 2.2140 . 2 425 39 39 GLU HG2 H 2.4630 . 2 426 39 39 GLU HG3 H 2.5150 . 2 427 39 39 GLU CA C 59.3400 . 1 428 39 39 GLU CB C 30.0000 . 1 429 39 39 GLU CG C 34.0320 . 1 430 39 39 GLU N N 120.0000 . 1 431 40 40 ARG H H 8.3370 . 1 432 40 40 ARG HA H 4.1180 . 1 433 40 40 ARG HB2 H 1.8560 . 2 434 40 40 ARG HB3 H 2.0240 . 2 435 40 40 ARG HG2 H 1.7450 . 2 436 40 40 ARG HG3 H 1.6040 . 2 437 40 40 ARG HD2 H 3.2690 . 2 438 40 40 ARG HD3 H 3.1350 . 2 439 40 40 ARG CA C 57.7600 . 1 440 40 40 ARG CB C 29.4100 . 1 441 40 40 ARG CG C 28.7600 . 1 442 40 40 ARG CD C 43.5150 . 1 443 40 40 ARG N N 119.7150 . 1 444 41 41 ARG H H 8.5190 . 1 445 41 41 ARG HA H 3.9440 . 1 446 41 41 ARG HB2 H 1.8210 . 2 447 41 41 ARG HB3 H 1.9310 . 2 448 41 41 ARG HG2 H 1.6040 . 2 449 41 41 ARG HG3 H 1.8210 . 2 450 41 41 ARG HD2 H 3.1130 . 2 451 41 41 ARG HD3 H 3.0420 . 2 452 41 41 ARG CA C 59.9800 . 1 453 41 41 ARG CB C 30.4260 . 1 454 41 41 ARG CG C 28.1600 . 1 455 41 41 ARG CD C 45.7050 . 1 456 41 41 ARG N N 120.5600 . 1 457 42 42 ASP H H 8.2630 . 1 458 42 42 ASP HA H 4.4530 . 1 459 42 42 ASP HB2 H 2.6880 . 2 460 42 42 ASP HB3 H 2.8030 . 2 461 42 42 ASP CA C 57.1400 . 1 462 42 42 ASP CB C 40.5870 . 1 463 42 42 ASP N N 120.2260 . 1 464 43 43 GLN H H 8.1630 . 1 465 43 43 GLN HA H 4.0700 . 1 466 43 43 GLN HB2 H 2.1610 . 2 467 43 43 GLN HB3 H 2.2620 . 2 468 43 43 GLN HG2 H 2.5860 . 2 469 43 43 GLN HG3 H 2.4130 . 2 470 43 43 GLN CA C 58.3800 . 1 471 43 43 GLN CB C 28.7900 . 1 472 43 43 GLN CG C 33.8640 . 1 473 43 43 GLN N N 119.6470 . 1 474 44 44 GLU H H 8.4000 . 1 475 44 44 GLU N N 120.0000 . 1 476 45 45 LEU H H 7.9490 . 1 477 45 45 LEU N N 120.4900 . 1 478 46 46 ARG H H 8.4000 . 1 479 46 46 ARG N N 120.0000 . 1 480 47 47 ARG H H 7.9840 . 1 481 47 47 ARG N N 118.9760 . 1 482 48 48 LEU H H 8.0490 . 1 483 48 48 LEU N N 120.2840 . 1 484 49 49 GLU H H 8.2050 . 1 485 49 49 GLU N N 120.5520 . 1 486 50 50 GLU H H 8.0700 . 1 487 50 50 GLU N N 119.8030 . 1 488 51 51 GLU H H 8.2050 . 1 489 51 51 GLU N N 120.4160 . 1 stop_ save_