data_11250 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and function of the N-terminal nucleolin binding domain of nuclear valocine containing protein like 2 (NVL2) harboring a nucleolar localization signal. ; _BMRB_accession_number 11250 _BMRB_flat_file_name bmr11250.str _Entry_type original _Submission_date 2010-08-02 _Accession_date 2010-08-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '20 structure ensemble' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fujiwara Yoshie . . 2 Fujiwara Ken-ichiro . . 3 Goda Natsuko . . 4 Iwaya Naoko . . 5 Tenno Takeshi . . 6 Shirakawa Masahiro . . 7 Hiroaki Hidekazu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 447 "13C chemical shifts" 265 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 original author . stop_ _Original_release_date 2011-06-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Function of the N-terminal Nucleolin Binding Domain of Nuclear Valosin-containing Protein-like 2 (NVL2) Harboring a Nucleolar Localization Signal.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21474449 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fujiwara Yoshie . . 2 Fujiwara Ken-Ichiro . . 3 Goda Natsuko . . 4 Iwaya Naoko . . 5 Tenno Takeshi . . 6 Shirakawa Masahiro . . 7 Hiroaki Hidekazu . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21732 _Page_last 21741 _Year 2011 _Details . loop_ _Keyword AAA-ATPase 'nucleolar localization signal' 'ribosomal biogenesis' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title ; The PRESAT-vector: asymmetric T-vector for high-throughput screening of soluble protein domains for structural proteomics. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14978305 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goda Natsuko . . 2 Tenno Takeshi . . 3 Takasu Hirotoshi . . 4 Hiroaki Hidekazu . . 5 Shirakawa Masahiro . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein Science' _Journal_volume 13 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 652 _Page_last 658 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'nuclear valocine containing protein like 2 (NVL2)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NVL2 N-terminal domain' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'NVL2 N-terminal domain' _Molecular_mass 8711.235 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MKPRPGVFVDRKLKQRVIQY LSSNRCGKYVDTGILASDLQ RLYSVDYGRRKRNAFRIQVE KVFSIISSEKELKN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 PRO 4 ARG 5 PRO 6 GLY 7 VAL 8 PHE 9 VAL 10 ASP 11 ARG 12 LYS 13 LEU 14 LYS 15 GLN 16 ARG 17 VAL 18 ILE 19 GLN 20 TYR 21 LEU 22 SER 23 SER 24 ASN 25 ARG 26 CYS 27 GLY 28 LYS 29 TYR 30 VAL 31 ASP 32 THR 33 GLY 34 ILE 35 LEU 36 ALA 37 SER 38 ASP 39 LEU 40 GLN 41 ARG 42 LEU 43 TYR 44 SER 45 VAL 46 ASP 47 TYR 48 GLY 49 ARG 50 ARG 51 LYS 52 ARG 53 ASN 54 ALA 55 PHE 56 ARG 57 ILE 58 GLN 59 VAL 60 GLU 61 LYS 62 VAL 63 PHE 64 SER 65 ILE 66 ILE 67 SER 68 SER 69 GLU 70 LYS 71 GLU 72 LEU 73 LYS 74 ASN 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 2RRE "Structure And Function Of The N-Terminal Nucleolin Binding Domain Of Nuclear Valocine Containing Protein Like 2 (Nvl2) Harborin" 100.00 78 100.00 100.00 1.42e-44 DBJ BAB23464 "unnamed protein product [Mus musculus]" 100.00 855 100.00 100.00 6.88e-40 DBJ BAB29099 "unnamed protein product [Mus musculus]" 100.00 226 100.00 100.00 4.00e-44 DBJ BAE24409 "unnamed protein product [Mus musculus]" 100.00 855 100.00 100.00 6.88e-40 GB AAH31847 "Nuclear VCP-like [Mus musculus]" 100.00 855 100.00 100.00 7.45e-40 GB EDL13131 "nuclear VCP-like [Mus musculus]" 100.00 855 100.00 100.00 6.88e-40 REF NP_080447 "nuclear valosin-containing protein-like [Mus musculus]" 100.00 855 100.00 100.00 6.88e-40 REF XP_006497028 "PREDICTED: nuclear valosin-containing protein-like isoform X3 [Mus musculus]" 100.00 748 100.00 100.00 3.73e-40 REF XP_006497030 "PREDICTED: nuclear valosin-containing protein-like isoform X5 [Mus musculus]" 100.00 450 100.00 100.00 6.02e-42 SP Q9DBY8 "RecName: Full=Nuclear valosin-containing protein-like; Short=NVLp; Short=Nuclear VCP-like protein" 100.00 855 100.00 100.00 6.88e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 _Variant _Vector_name $entity 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pGEX pGEX-PRESAT-NVL2 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 $entity 1.2 mM '[U-99% 15N]' 'sodium phosphate' 25 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 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_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 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' 25 . mM pH 6.4 . 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 water C 13 protons ppm 4.7 na indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NVL2 N-terminal domain' _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 HA H 4.356 0.020 1 2 1 1 MET HB2 H 2.299 0.020 2 3 1 1 MET HB3 H 2.421 0.020 2 4 1 1 MET HG2 H 1.924 0.020 2 5 1 1 MET HG3 H 1.924 0.020 2 6 1 1 MET CA C 55.248 0.400 1 7 1 1 MET CB C 32.404 0.400 1 8 1 1 MET CG C 30.462 0.400 1 9 2 2 LYS H H 8.097 0.020 1 10 2 2 LYS HA H 4.494 0.020 1 11 2 2 LYS CA C 54.466 0.400 1 12 2 2 LYS N N 123.783 0.400 1 13 3 3 PRO HA H 4.336 0.020 1 14 3 3 PRO HB2 H 1.797 0.020 2 15 3 3 PRO HB3 H 2.208 0.020 2 16 3 3 PRO HD2 H 3.549 0.020 2 17 3 3 PRO HD3 H 3.767 0.020 2 18 3 3 PRO HG2 H 1.934 0.020 2 19 3 3 PRO HG3 H 1.934 0.020 2 20 3 3 PRO CA C 63.376 0.400 1 21 3 3 PRO CB C 32.161 0.400 1 22 3 3 PRO CD C 50.834 0.400 1 23 3 3 PRO CG C 27.856 0.400 1 24 4 4 ARG H H 8.379 0.020 1 25 4 4 ARG CA C 54.061 0.400 1 26 4 4 ARG CB C 29.942 0.400 1 27 4 4 ARG N N 122.766 0.400 1 28 5 5 PRO HA H 4.361 0.020 1 29 5 5 PRO HB2 H 2.234 0.020 2 30 5 5 PRO HB3 H 2.234 0.020 2 31 5 5 PRO HD2 H 2.681 0.020 2 32 5 5 PRO HD3 H 2.861 0.020 2 33 5 5 PRO CA C 63.702 0.400 1 34 5 5 PRO CB C 32.253 0.400 1 35 5 5 PRO CD C 50.785 0.400 1 36 5 5 PRO CG C 27.518 0.400 1 37 6 6 GLY H H 8.374 0.020 1 38 6 6 GLY HA2 H 3.854 0.020 2 39 6 6 GLY HA3 H 3.854 0.020 2 40 6 6 GLY CA C 45.411 0.400 1 41 6 6 GLY N N 109.122 0.400 1 42 7 7 VAL H H 7.743 0.020 1 43 7 7 VAL HA H 4.008 0.020 1 44 7 7 VAL HB H 1.924 0.020 1 45 7 7 VAL HG1 H 0.781 0.020 2 46 7 7 VAL HG2 H 0.771 0.020 2 47 7 7 VAL CA C 62.407 0.400 1 48 7 7 VAL CB C 32.578 0.400 1 49 7 7 VAL CG1 C 20.489 0.400 1 50 7 7 VAL CG2 C 20.489 0.400 1 51 7 7 VAL N N 119.308 0.400 1 52 8 8 PHE H H 8.352 0.020 1 53 8 8 PHE HA H 4.550 0.020 1 54 8 8 PHE HB2 H 2.996 0.020 2 55 8 8 PHE HB3 H 2.996 0.020 2 56 8 8 PHE HD1 H 7.184 0.020 1 57 8 8 PHE HD2 H 7.184 0.020 1 58 8 8 PHE HE1 H 7.277 0.020 1 59 8 8 PHE HE2 H 7.277 0.020 1 60 8 8 PHE CA C 57.957 0.400 1 61 8 8 PHE CB C 39.748 0.400 1 62 8 8 PHE CD1 C 131.400 0.400 1 63 8 8 PHE CD2 C 131.400 0.400 1 64 8 8 PHE CE1 C 131.800 0.400 1 65 8 8 PHE CE2 C 131.800 0.400 1 66 8 8 PHE N N 125.068 0.400 1 67 9 9 VAL H H 7.792 0.020 1 68 9 9 VAL HA H 3.931 0.020 1 69 9 9 VAL HB H 1.852 0.020 1 70 9 9 VAL HG1 H 0.773 0.020 2 71 9 9 VAL HG2 H 0.715 0.020 2 72 9 9 VAL CA C 61.814 0.400 1 73 9 9 VAL CB C 33.775 0.400 1 74 9 9 VAL CG1 C 20.393 0.400 1 75 9 9 VAL CG2 C 20.393 0.400 1 76 9 9 VAL N N 122.684 0.400 1 77 10 10 ASP H H 8.115 0.020 1 78 10 10 ASP HA H 4.439 0.020 1 79 10 10 ASP HB2 H 2.592 0.020 2 80 10 10 ASP HB3 H 2.755 0.020 2 81 10 10 ASP CA C 53.901 0.400 1 82 10 10 ASP CB C 41.313 0.400 1 83 10 10 ASP N N 125.092 0.400 1 84 11 11 ARG H H 8.451 0.020 1 85 11 11 ARG HA H 3.833 0.020 1 86 11 11 ARG HB2 H 1.828 0.020 2 87 11 11 ARG HB3 H 1.828 0.020 2 88 11 11 ARG HD2 H 3.166 0.020 2 89 11 11 ARG HD3 H 3.166 0.020 2 90 11 11 ARG HG2 H 1.653 0.020 2 91 11 11 ARG HG3 H 1.571 0.020 2 92 11 11 ARG CA C 59.721 0.400 1 93 11 11 ARG CB C 30.153 0.400 1 94 11 11 ARG CD C 43.255 0.400 1 95 11 11 ARG CG C 27.711 0.400 1 96 11 11 ARG N N 126.464 0.400 1 97 12 12 LYS H H 8.082 0.020 1 98 12 12 LYS HA H 4.052 0.020 1 99 12 12 LYS HB2 H 1.767 0.020 2 100 12 12 LYS HB3 H 1.843 0.020 2 101 12 12 LYS HD2 H 1.587 0.020 2 102 12 12 LYS HD3 H 1.587 0.020 2 103 12 12 LYS HE2 H 2.835 0.020 2 104 12 12 LYS HE3 H 2.835 0.020 2 105 12 12 LYS HG2 H 1.339 0.020 2 106 12 12 LYS HG3 H 1.194 0.020 2 107 12 12 LYS CA C 59.072 0.400 1 108 12 12 LYS CB C 31.599 0.400 1 109 12 12 LYS CD C 29.062 0.400 1 110 12 12 LYS CE C 41.613 0.400 1 111 12 12 LYS CG C 23.868 0.400 1 112 12 12 LYS N N 121.299 0.400 1 113 13 13 LEU H H 7.769 0.020 1 114 13 13 LEU HA H 4.072 0.020 1 115 13 13 LEU HB2 H 1.768 0.020 2 116 13 13 LEU HB3 H 1.444 0.020 2 117 13 13 LEU HD1 H 0.626 0.020 1 118 13 13 LEU HD2 H 0.577 0.020 1 119 13 13 LEU HG H 1.287 0.020 1 120 13 13 LEU CA C 58.029 0.400 1 121 13 13 LEU CB C 41.249 0.400 1 122 13 13 LEU CD1 C 22.806 0.400 1 123 13 13 LEU CD2 C 25.973 0.400 1 124 13 13 LEU CG C 27.566 0.400 1 125 13 13 LEU N N 121.402 0.400 1 126 14 14 LYS H H 8.168 0.020 1 127 14 14 LYS HA H 3.628 0.020 1 128 14 14 LYS HB2 H 1.637 0.020 1 129 14 14 LYS HB3 H 1.937 0.020 1 130 14 14 LYS HD2 H 1.637 0.020 2 131 14 14 LYS HD3 H 1.637 0.020 2 132 14 14 LYS HE2 H 2.609 0.020 2 133 14 14 LYS HE3 H 2.777 0.020 2 134 14 14 LYS HG2 H 1.060 0.020 1 135 14 14 LYS HG3 H 1.292 0.020 1 136 14 14 LYS CA C 61.158 0.400 1 137 14 14 LYS CB C 32.623 0.400 1 138 14 14 LYS CD C 30.317 0.400 1 139 14 14 LYS CE C 42.096 0.400 1 140 14 14 LYS CG C 25.587 0.400 1 141 14 14 LYS N N 117.714 0.400 1 142 15 15 GLN H H 7.957 0.020 1 143 15 15 GLN HA H 3.951 0.020 1 144 15 15 GLN HB2 H 2.172 0.020 2 145 15 15 GLN HB3 H 2.172 0.020 2 146 15 15 GLN HE21 H 6.816 0.020 2 147 15 15 GLN HE22 H 7.401 0.020 2 148 15 15 GLN HG2 H 2.469 0.020 1 149 15 15 GLN HG3 H 2.382 0.020 1 150 15 15 GLN CA C 59.100 0.400 1 151 15 15 GLN CB C 28.109 0.400 1 152 15 15 GLN CG C 33.745 0.400 1 153 15 15 GLN N N 116.791 0.400 1 154 15 15 GLN NE2 N 111.200 0.400 1 155 16 16 ARG H H 8.170 0.020 1 156 16 16 ARG HA H 4.059 0.020 1 157 16 16 ARG HB2 H 1.672 0.020 1 158 16 16 ARG HB3 H 1.809 0.020 1 159 16 16 ARG HD2 H 2.713 0.020 2 160 16 16 ARG HD3 H 2.713 0.020 2 161 16 16 ARG CA C 60.193 0.400 1 162 16 16 ARG CB C 29.618 0.400 1 163 16 16 ARG CD C 43.544 0.400 1 164 16 16 ARG CG C 28.242 0.400 1 165 16 16 ARG N N 119.792 0.400 1 166 17 17 VAL H H 8.695 0.020 1 167 17 17 VAL HA H 3.599 0.020 1 168 17 17 VAL HB H 2.177 0.020 1 169 17 17 VAL HG1 H 0.986 0.020 1 170 17 17 VAL HG2 H 0.852 0.020 1 171 17 17 VAL CA C 68.174 0.400 1 172 17 17 VAL CB C 31.221 0.400 1 173 17 17 VAL CG1 C 22.710 0.400 1 174 17 17 VAL CG2 C 22.710 0.400 1 175 17 17 VAL N N 122.807 0.400 1 176 18 18 ILE H H 8.294 0.020 1 177 18 18 ILE HA H 3.558 0.020 1 178 18 18 ILE HB H 1.918 0.020 1 179 18 18 ILE HD1 H 0.806 0.020 1 180 18 18 ILE HG12 H 1.005 0.020 1 181 18 18 ILE HG13 H 1.776 0.020 1 182 18 18 ILE HG2 H 0.872 0.020 1 183 18 18 ILE CA C 66.854 0.400 1 184 18 18 ILE CB C 37.998 0.400 1 185 18 18 ILE CD1 C 13.635 0.400 1 186 18 18 ILE CG1 C 30.752 0.400 1 187 18 18 ILE CG2 C 16.555 0.400 1 188 18 18 ILE N N 120.841 0.400 1 189 19 19 GLN H H 8.436 0.020 1 190 19 19 GLN HA H 4.056 0.020 1 191 19 19 GLN HB2 H 2.198 0.020 2 192 19 19 GLN HB3 H 2.198 0.020 2 193 19 19 GLN HE21 H 7.369 0.020 2 194 19 19 GLN HE22 H 6.803 0.020 2 195 19 19 GLN HG2 H 2.497 0.020 2 196 19 19 GLN HG3 H 2.497 0.020 2 197 19 19 GLN CA C 59.467 0.400 1 198 19 19 GLN CB C 28.252 0.400 1 199 19 19 GLN CG C 33.793 0.400 1 200 19 19 GLN N N 119.259 0.400 1 201 19 19 GLN NE2 N 110.600 0.400 1 202 20 20 TYR H H 8.098 0.020 1 203 20 20 TYR HA H 4.067 0.020 1 204 20 20 TYR HB2 H 3.088 0.020 1 205 20 20 TYR HB3 H 3.314 0.020 1 206 20 20 TYR HD1 H 6.804 0.020 1 207 20 20 TYR HD2 H 6.804 0.020 1 208 20 20 TYR HE1 H 6.720 0.020 1 209 20 20 TYR HE2 H 6.720 0.020 1 210 20 20 TYR CA C 62.237 0.400 1 211 20 20 TYR CB C 38.757 0.400 1 212 20 20 TYR CD1 C 133.000 0.400 1 213 20 20 TYR CD2 C 133.000 0.400 1 214 20 20 TYR CE1 C 118.100 0.400 1 215 20 20 TYR CE2 C 118.100 0.400 1 216 20 20 TYR N N 122.514 0.400 1 217 21 21 LEU H H 8.680 0.020 1 218 21 21 LEU HA H 4.157 0.020 1 219 21 21 LEU HB2 H 1.565 0.020 1 220 21 21 LEU HB3 H 2.008 0.020 1 221 21 21 LEU HD1 H 0.942 0.020 1 222 21 21 LEU HD2 H 0.843 0.020 1 223 21 21 LEU HG H 2.165 0.020 1 224 21 21 LEU CA C 57.672 0.400 1 225 21 21 LEU CB C 41.446 0.400 1 226 21 21 LEU CD1 C 26.649 0.400 1 227 21 21 LEU CD2 C 22.517 0.400 1 228 21 21 LEU CG C 26.649 0.400 1 229 21 21 LEU N N 119.233 0.400 1 230 22 22 SER H H 7.943 0.020 1 231 22 22 SER HA H 4.321 0.020 1 232 22 22 SER HB2 H 3.962 0.020 2 233 22 22 SER HB3 H 3.962 0.020 2 234 22 22 SER CA C 60.932 0.400 1 235 22 22 SER CB C 63.742 0.400 1 236 22 22 SER N N 112.553 0.400 1 237 23 23 SER H H 8.058 0.020 1 238 23 23 SER HA H 4.323 0.020 1 239 23 23 SER HB2 H 3.841 0.020 2 240 23 23 SER HB3 H 3.961 0.020 2 241 23 23 SER CA C 60.548 0.400 1 242 23 23 SER CB C 64.229 0.400 1 243 23 23 SER N N 116.696 0.400 1 244 24 24 ASN H H 7.816 0.020 1 245 24 24 ASN HA H 4.598 0.020 1 246 24 24 ASN HB2 H 2.370 0.020 2 247 24 24 ASN HB3 H 2.529 0.020 2 248 24 24 ASN HD21 H 6.654 0.020 2 249 24 24 ASN HD22 H 6.500 0.020 2 250 24 24 ASN CA C 53.791 0.400 1 251 24 24 ASN CB C 39.161 0.400 1 252 24 24 ASN N N 118.053 0.400 1 253 24 24 ASN ND2 N 114.200 0.400 1 254 25 25 ARG H H 7.963 0.020 1 255 25 25 ARG HA H 4.098 0.020 1 256 25 25 ARG HD2 H 3.133 0.020 2 257 25 25 ARG HD3 H 3.133 0.020 2 258 25 25 ARG CA C 56.946 0.400 1 259 25 25 ARG CB C 28.550 0.400 1 260 25 25 ARG CD C 43.351 0.400 1 261 25 25 ARG CG C 27.035 0.400 1 262 25 25 ARG N N 119.072 0.400 1 263 26 26 CYS H H 8.109 0.020 1 264 26 26 CYS HA H 4.309 0.020 1 265 26 26 CYS HB2 H 2.742 0.020 2 266 26 26 CYS HB3 H 3.001 0.020 2 267 26 26 CYS CA C 59.735 0.400 1 268 26 26 CYS CB C 28.144 0.400 1 269 26 26 CYS N N 117.803 0.400 1 270 27 27 GLY H H 8.373 0.020 1 271 27 27 GLY HA2 H 3.876 0.020 1 272 27 27 GLY HA3 H 3.983 0.020 1 273 27 27 GLY CA C 45.173 0.400 1 274 27 27 GLY N N 111.321 0.400 1 275 28 28 LYS H H 8.178 0.020 1 276 28 28 LYS HA H 4.059 0.020 1 277 28 28 LYS HB2 H 1.548 0.020 2 278 28 28 LYS HB3 H 1.548 0.020 2 279 28 28 LYS HD2 H 1.987 0.020 2 280 28 28 LYS HD3 H 1.987 0.020 2 281 28 28 LYS HE2 H 2.840 0.020 2 282 28 28 LYS HE3 H 2.840 0.020 2 283 28 28 LYS HG2 H 1.127 0.020 2 284 28 28 LYS HG3 H 1.127 0.020 2 285 28 28 LYS CA C 57.625 0.400 1 286 28 28 LYS CB C 32.778 0.400 1 287 28 28 LYS CD C 29.449 0.400 1 288 28 28 LYS CE C 42.289 0.400 1 289 28 28 LYS CG C 24.718 0.400 1 290 28 28 LYS N N 119.688 0.400 1 291 29 29 TYR H H 7.929 0.020 1 292 29 29 TYR HA H 4.695 0.020 1 293 29 29 TYR HB2 H 2.869 0.020 2 294 29 29 TYR HB3 H 2.965 0.020 2 295 29 29 TYR HD1 H 7.067 0.020 1 296 29 29 TYR HD2 H 7.067 0.020 1 297 29 29 TYR HE1 H 6.768 0.020 1 298 29 29 TYR HE2 H 6.768 0.020 1 299 29 29 TYR CA C 57.177 0.400 1 300 29 29 TYR CB C 38.572 0.400 1 301 29 29 TYR CD1 C 133.400 0.400 1 302 29 29 TYR CD2 C 133.400 0.400 1 303 29 29 TYR CE1 C 118.100 0.400 1 304 29 29 TYR CE2 C 118.100 0.400 1 305 29 29 TYR N N 118.416 0.400 1 306 30 30 VAL H H 7.645 0.020 1 307 30 30 VAL HA H 3.839 0.020 1 308 30 30 VAL HB H 1.699 0.020 1 309 30 30 VAL HG1 H 0.408 0.020 2 310 30 30 VAL HG2 H 0.822 0.020 2 311 30 30 VAL CA C 61.821 0.400 1 312 30 30 VAL CB C 33.936 0.400 1 313 30 30 VAL CG1 C 19.620 0.400 1 314 30 30 VAL CG2 C 21.744 0.400 1 315 30 30 VAL N N 124.143 0.400 1 316 31 31 ASP H H 8.258 0.020 1 317 31 31 ASP HA H 4.622 0.020 1 318 31 31 ASP HB2 H 2.499 0.020 2 319 31 31 ASP HB3 H 2.845 0.020 2 320 31 31 ASP CA C 52.953 0.400 1 321 31 31 ASP CB C 41.667 0.400 1 322 31 31 ASP N N 126.581 0.400 1 323 32 32 THR H H 8.613 0.020 1 324 32 32 THR HA H 3.556 0.020 1 325 32 32 THR HB H 3.948 0.020 1 326 32 32 THR HG2 H 0.795 0.020 1 327 32 32 THR CA C 65.436 0.400 1 328 32 32 THR CB C 68.370 0.400 1 329 32 32 THR CG2 C 23.289 0.400 1 330 32 32 THR N N 118.602 0.400 1 331 33 33 GLY H H 8.373 0.020 1 332 33 33 GLY HA2 H 3.641 0.020 1 333 33 33 GLY HA3 H 3.838 0.020 1 334 33 33 GLY CA C 47.142 0.400 1 335 33 33 GLY N N 111.321 0.400 1 336 34 34 ILE H H 7.612 0.020 1 337 34 34 ILE HA H 3.711 0.020 1 338 34 34 ILE HB H 1.813 0.020 1 339 34 34 ILE HD1 H 0.813 0.020 1 340 34 34 ILE HG12 H 1.095 0.020 2 341 34 34 ILE HG13 H 1.482 0.020 2 342 34 34 ILE HG2 H 0.856 0.020 1 343 34 34 ILE CA C 64.268 0.400 1 344 34 34 ILE CB C 37.522 0.400 1 345 34 34 ILE CD1 C 11.993 0.400 1 346 34 34 ILE CG1 C 28.580 0.400 1 347 34 34 ILE CG2 C 16.531 0.400 1 348 34 34 ILE N N 125.853 0.400 1 349 35 35 LEU H H 7.802 0.020 1 350 35 35 LEU HA H 3.551 0.020 1 351 35 35 LEU HB2 H 1.213 0.020 2 352 35 35 LEU HB3 H 1.445 0.020 2 353 35 35 LEU HD1 H 0.321 0.020 2 354 35 35 LEU HD2 H 0.375 0.020 2 355 35 35 LEU HG H 1.028 0.020 1 356 35 35 LEU CA C 58.858 0.400 1 357 35 35 LEU CB C 42.779 0.400 1 358 35 35 LEU CD1 C 24.718 0.400 1 359 35 35 LEU CD2 C 26.069 0.400 1 360 35 35 LEU CG C 27.131 0.400 1 361 35 35 LEU N N 120.572 0.400 1 362 36 36 ALA H H 7.949 0.020 1 363 36 36 ALA HA H 3.827 0.020 1 364 36 36 ALA HB H 1.386 0.020 1 365 36 36 ALA CA C 55.870 0.400 1 366 36 36 ALA CB C 18.050 0.400 1 367 36 36 ALA N N 117.780 0.400 1 368 37 37 SER H H 7.877 0.020 1 369 37 37 SER HA H 4.194 0.020 1 370 37 37 SER HB2 H 3.964 0.020 2 371 37 37 SER HB3 H 3.964 0.020 2 372 37 37 SER CA C 62.565 0.400 1 373 37 37 SER N N 112.691 0.400 1 374 38 38 ASP H H 9.023 0.020 1 375 38 38 ASP HA H 4.515 0.020 1 376 38 38 ASP HB2 H 2.588 0.020 2 377 38 38 ASP HB3 H 2.965 0.020 2 378 38 38 ASP CA C 57.492 0.400 1 379 38 38 ASP CB C 40.032 0.400 1 380 38 38 ASP N N 123.150 0.400 1 381 39 39 LEU H H 8.435 0.020 1 382 39 39 LEU HA H 4.221 0.020 1 383 39 39 LEU HB2 H 1.496 0.020 1 384 39 39 LEU HB3 H 2.235 0.020 1 385 39 39 LEU HD1 H 0.646 0.020 1 386 39 39 LEU HD2 H 0.895 0.020 1 387 39 39 LEU HG H 1.849 0.020 1 388 39 39 LEU CA C 58.873 0.400 1 389 39 39 LEU CB C 42.227 0.400 1 390 39 39 LEU CD1 C 26.359 0.400 1 391 39 39 LEU CD2 C 23.579 0.400 1 392 39 39 LEU CG C 27.131 0.400 1 393 39 39 LEU N N 119.999 0.400 1 394 40 40 GLN H H 8.046 0.020 1 395 40 40 GLN HA H 3.616 0.020 1 396 40 40 GLN HB2 H 1.838 0.020 2 397 40 40 GLN HB3 H 2.236 0.020 2 398 40 40 GLN HE21 H 7.110 0.020 2 399 40 40 GLN HE22 H 5.900 0.020 2 400 40 40 GLN HG2 H 1.490 0.020 2 401 40 40 GLN HG3 H 2.369 0.020 2 402 40 40 GLN CA C 60.928 0.400 1 403 40 40 GLN CB C 29.529 0.400 1 404 40 40 GLN CG C 37.172 0.400 1 405 40 40 GLN N N 117.048 0.400 1 406 40 40 GLN NE2 N 111.310 0.400 1 407 41 41 ARG H H 7.306 0.020 1 408 41 41 ARG HA H 4.098 0.020 1 409 41 41 ARG HB2 H 1.948 0.020 2 410 41 41 ARG HB3 H 1.948 0.020 2 411 41 41 ARG HD2 H 3.172 0.020 2 412 41 41 ARG HD3 H 3.172 0.020 2 413 41 41 ARG HG2 H 1.497 0.020 2 414 41 41 ARG HG3 H 1.497 0.020 2 415 41 41 ARG CA C 58.524 0.400 1 416 41 41 ARG CB C 30.559 0.400 1 417 41 41 ARG CD C 43.544 0.400 1 418 41 41 ARG CG C 27.711 0.400 1 419 41 41 ARG N N 117.148 0.400 1 420 42 42 LEU H H 8.448 0.020 1 421 42 42 LEU HA H 3.847 0.020 1 422 42 42 LEU HB2 H 1.494 0.020 2 423 42 42 LEU HB3 H 0.874 0.020 2 424 42 42 LEU HD1 H 0.762 0.020 1 425 42 42 LEU HD2 H 0.857 0.020 1 426 42 42 LEU HG H 1.309 0.020 1 427 42 42 LEU CA C 57.294 0.400 1 428 42 42 LEU CB C 43.752 0.400 1 429 42 42 LEU CD1 C 23.579 0.400 1 430 42 42 LEU CD2 C 23.579 0.400 1 431 42 42 LEU CG C 26.745 0.400 1 432 42 42 LEU N N 120.222 0.400 1 433 43 43 TYR H H 7.816 0.020 1 434 43 43 TYR HA H 4.837 0.020 1 435 43 43 TYR HB2 H 2.819 0.020 1 436 43 43 TYR HB3 H 2.951 0.020 1 437 43 43 TYR HD1 H 7.219 0.020 1 438 43 43 TYR HD2 H 7.219 0.020 1 439 43 43 TYR HE1 H 6.861 0.020 1 440 43 43 TYR HE2 H 6.861 0.020 1 441 43 43 TYR CA C 55.429 0.400 1 442 43 43 TYR CB C 36.943 0.400 1 443 43 43 TYR CD1 C 133.400 0.400 1 444 43 43 TYR CD2 C 133.400 0.400 1 445 43 43 TYR CE1 C 117.700 0.400 1 446 43 43 TYR CE2 C 117.700 0.400 1 447 43 43 TYR N N 118.619 0.400 1 448 44 44 SER H H 7.253 0.020 1 449 44 44 SER HA H 4.045 0.020 1 450 44 44 SER HB2 H 3.914 0.020 2 451 44 44 SER HB3 H 3.914 0.020 2 452 44 44 SER CA C 61.959 0.400 1 453 44 44 SER CB C 63.251 0.400 1 454 44 44 SER N N 117.285 0.400 1 455 45 45 VAL H H 8.140 0.020 1 456 45 45 VAL HA H 3.669 0.020 1 457 45 45 VAL HB H 1.979 0.020 1 458 45 45 VAL HG1 H 0.817 0.020 2 459 45 45 VAL HG2 H 0.935 0.020 2 460 45 45 VAL CA C 66.384 0.400 1 461 45 45 VAL CB C 31.154 0.400 1 462 45 45 VAL CG1 C 19.910 0.400 1 463 45 45 VAL CG2 C 22.227 0.400 1 464 45 45 VAL N N 122.717 0.400 1 465 46 46 ASP H H 7.433 0.020 1 466 46 46 ASP HA H 4.416 0.020 1 467 46 46 ASP HB2 H 2.631 0.020 2 468 46 46 ASP HB3 H 2.675 0.020 2 469 46 46 ASP CA C 56.513 0.400 1 470 46 46 ASP CB C 40.502 0.400 1 471 46 46 ASP N N 117.776 0.400 1 472 47 47 TYR H H 7.988 0.020 1 473 47 47 TYR HA H 4.806 0.020 1 474 47 47 TYR HB2 H 2.229 0.020 2 475 47 47 TYR HB3 H 2.229 0.020 2 476 47 47 TYR HD1 H 6.780 0.020 1 477 47 47 TYR HD2 H 6.780 0.020 1 478 47 47 TYR HE1 H 6.627 0.020 1 479 47 47 TYR HE2 H 6.627 0.020 1 480 47 47 TYR CA C 54.863 0.400 1 481 47 47 TYR CB C 40.879 0.400 1 482 47 47 TYR CD1 C 133.000 0.400 1 483 47 47 TYR CD2 C 133.000 0.400 1 484 47 47 TYR CE1 C 117.000 0.400 1 485 47 47 TYR CE2 C 117.000 0.400 1 486 47 47 TYR N N 114.620 0.400 1 487 48 48 GLY H H 8.692 0.020 1 488 48 48 GLY HA2 H 3.693 0.020 2 489 48 48 GLY HA3 H 4.155 0.020 2 490 48 48 GLY CA C 47.979 0.400 1 491 48 48 GLY N N 110.724 0.400 1 492 49 49 ARG H H 8.336 0.020 1 493 49 49 ARG HA H 4.330 0.020 1 494 49 49 ARG HB2 H 1.947 0.020 2 495 49 49 ARG HB3 H 1.947 0.020 2 496 49 49 ARG HD2 H 3.148 0.020 2 497 49 49 ARG HD3 H 3.148 0.020 2 498 49 49 ARG HG2 H 1.625 0.020 2 499 49 49 ARG HG3 H 1.625 0.020 2 500 49 49 ARG CA C 55.569 0.400 1 501 49 49 ARG CB C 29.709 0.400 1 502 49 49 ARG CD C 43.255 0.400 1 503 49 49 ARG CG C 27.035 0.400 1 504 49 49 ARG N N 116.170 0.400 1 505 50 50 ARG H H 7.058 0.020 1 506 50 50 ARG HA H 4.213 0.020 1 507 50 50 ARG HB2 H 1.725 0.020 2 508 50 50 ARG HB3 H 1.725 0.020 2 509 50 50 ARG HD2 H 3.056 0.020 2 510 50 50 ARG HD3 H 3.458 0.020 2 511 50 50 ARG HG2 H 1.515 0.020 2 512 50 50 ARG HG3 H 1.515 0.020 2 513 50 50 ARG CA C 55.745 0.400 1 514 50 50 ARG CB C 30.195 0.400 1 515 50 50 ARG CD C 44.027 0.400 1 516 50 50 ARG CG C 27.421 0.400 1 517 50 50 ARG N N 119.337 0.400 1 518 51 51 LYS H H 8.827 0.020 1 519 51 51 LYS HA H 4.141 0.020 1 520 51 51 LYS HB2 H 1.749 0.020 2 521 51 51 LYS HB3 H 1.659 0.020 2 522 51 51 LYS HD2 H 1.559 0.020 2 523 51 51 LYS HD3 H 1.559 0.020 2 524 51 51 LYS HE2 H 3.034 0.020 2 525 51 51 LYS HE3 H 3.034 0.020 2 526 51 51 LYS HG2 H 1.379 0.020 2 527 51 51 LYS HG3 H 1.379 0.020 2 528 51 51 LYS CA C 56.934 0.400 1 529 51 51 LYS CB C 32.286 0.400 1 530 51 51 LYS CD C 29.159 0.400 1 531 51 51 LYS CE C 43.834 0.400 1 532 51 51 LYS CG C 24.911 0.400 1 533 51 51 LYS N N 124.117 0.400 1 534 52 52 ARG H H 8.799 0.020 1 535 52 52 ARG HA H 3.963 0.020 1 536 52 52 ARG HB2 H 1.788 0.020 2 537 52 52 ARG HB3 H 1.965 0.020 2 538 52 52 ARG CA C 61.143 0.400 1 539 52 52 ARG CB C 30.305 0.400 1 540 52 52 ARG N N 124.202 0.400 1 541 53 53 ASN HA H 4.391 0.020 1 542 53 53 ASN HB2 H 2.786 0.020 2 543 53 53 ASN HB3 H 2.786 0.020 2 544 53 53 ASN HD21 H 7.710 0.020 2 545 53 53 ASN HD22 H 6.930 0.020 2 546 53 53 ASN CA C 56.347 0.400 1 547 53 53 ASN CB C 37.354 0.400 1 548 53 53 ASN ND2 N 113.500 0.400 1 549 54 54 ALA H H 7.012 0.020 1 550 54 54 ALA HA H 4.057 0.020 1 551 54 54 ALA HB H 1.474 0.020 1 552 54 54 ALA CA C 54.922 0.400 1 553 54 54 ALA CB C 18.450 0.400 1 554 54 54 ALA N N 122.590 0.400 1 555 55 55 PHE H H 8.643 0.020 1 556 55 55 PHE HA H 4.492 0.020 1 557 55 55 PHE HB2 H 2.679 0.020 2 558 55 55 PHE HB3 H 2.900 0.020 2 559 55 55 PHE HD1 H 7.088 0.020 1 560 55 55 PHE HD2 H 7.088 0.020 1 561 55 55 PHE HE1 H 6.754 0.020 1 562 55 55 PHE HE2 H 6.754 0.020 1 563 55 55 PHE CA C 60.864 0.400 1 564 55 55 PHE CB C 38.953 0.400 1 565 55 55 PHE CD1 C 130.900 0.400 1 566 55 55 PHE CD2 C 130.900 0.400 1 567 55 55 PHE CE1 C 131.300 0.400 1 568 55 55 PHE CE2 C 131.300 0.400 1 569 55 55 PHE N N 119.243 0.400 1 570 56 56 ARG H H 7.982 0.020 1 571 56 56 ARG HA H 3.430 0.020 1 572 56 56 ARG HB2 H 1.781 0.020 1 573 56 56 ARG HB3 H 1.908 0.020 1 574 56 56 ARG HD2 H 3.060 0.020 2 575 56 56 ARG HD3 H 3.060 0.020 2 576 56 56 ARG HG2 H 1.372 0.020 2 577 56 56 ARG HG3 H 1.372 0.020 2 578 56 56 ARG CA C 60.513 0.400 1 579 56 56 ARG CB C 28.835 0.400 1 580 56 56 ARG CD C 43.448 0.400 1 581 56 56 ARG CG C 26.842 0.400 1 582 56 56 ARG N N 119.014 0.400 1 583 57 57 ILE H H 7.462 0.020 1 584 57 57 ILE HA H 3.662 0.020 1 585 57 57 ILE HB H 1.858 0.020 1 586 57 57 ILE HD1 H 0.771 0.020 1 587 57 57 ILE HG12 H 1.155 0.020 1 588 57 57 ILE HG13 H 1.597 0.020 1 589 57 57 ILE HG2 H 0.867 0.020 1 590 57 57 ILE CA C 65.355 0.400 1 591 57 57 ILE CB C 37.857 0.400 1 592 57 57 ILE CD1 C 12.862 0.400 1 593 57 57 ILE CG1 C 29.545 0.400 1 594 57 57 ILE CG2 C 17.110 0.400 1 595 57 57 ILE N N 118.177 0.400 1 596 58 58 GLN H H 7.333 0.020 1 597 58 58 GLN HA H 3.840 0.020 1 598 58 58 GLN HB2 H 2.198 0.020 2 599 58 58 GLN HB3 H 2.198 0.020 2 600 58 58 GLN HE21 H 7.377 0.020 2 601 58 58 GLN HE22 H 6.800 0.020 2 602 58 58 GLN HG2 H 2.456 0.020 2 603 58 58 GLN HG3 H 2.456 0.020 2 604 58 58 GLN CA C 59.775 0.400 1 605 58 58 GLN CB C 27.899 0.400 1 606 58 58 GLN CG C 34.372 0.400 1 607 58 58 GLN N N 120.026 0.400 1 608 58 58 GLN NE2 N 110.600 0.400 1 609 59 59 VAL H H 8.087 0.020 1 610 59 59 VAL HA H 3.052 0.020 1 611 59 59 VAL HB H 1.776 0.020 1 612 59 59 VAL HG1 H 0.495 0.020 2 613 59 59 VAL HG2 H -0.061 0.020 2 614 59 59 VAL CA C 66.964 0.400 1 615 59 59 VAL CB C 31.113 0.400 1 616 59 59 VAL CG1 C 21.455 0.400 1 617 59 59 VAL CG2 C 24.621 0.400 1 618 59 59 VAL N N 120.168 0.400 1 619 60 60 GLU H H 8.792 0.020 1 620 60 60 GLU HA H 3.761 0.020 1 621 60 60 GLU HB2 H 1.975 0.020 1 622 60 60 GLU HB3 H 2.171 0.020 1 623 60 60 GLU HG2 H 2.173 0.020 2 624 60 60 GLU HG3 H 2.403 0.020 2 625 60 60 GLU CA C 60.813 0.400 1 626 60 60 GLU CB C 28.913 0.400 1 627 60 60 GLU CG C 37.848 0.400 1 628 60 60 GLU N N 120.795 0.400 1 629 61 61 LYS H H 7.998 0.020 1 630 61 61 LYS HA H 4.107 0.020 1 631 61 61 LYS HB2 H 1.915 0.020 2 632 61 61 LYS HB3 H 1.915 0.020 2 633 61 61 LYS HD2 H 1.624 0.020 2 634 61 61 LYS HD3 H 1.624 0.020 2 635 61 61 LYS HE2 H 2.844 0.020 2 636 61 61 LYS HE3 H 2.844 0.020 2 637 61 61 LYS HG2 H 1.494 0.020 2 638 61 61 LYS HG3 H 1.494 0.020 2 639 61 61 LYS CA C 59.706 0.400 1 640 61 61 LYS CB C 31.803 0.400 1 641 61 61 LYS CD C 29.352 0.400 1 642 61 61 LYS CE C 42.193 0.400 1 643 61 61 LYS CG C 24.911 0.400 1 644 61 61 LYS N N 120.417 0.400 1 645 62 62 VAL H H 7.645 0.020 1 646 62 62 VAL HA H 3.675 0.020 1 647 62 62 VAL HB H 2.065 0.020 1 648 62 62 VAL HG1 H 0.973 0.020 1 649 62 62 VAL HG2 H 0.855 0.020 1 650 62 62 VAL CA C 66.548 0.400 1 651 62 62 VAL CB C 31.377 0.400 1 652 62 62 VAL CG1 C 22.806 0.400 1 653 62 62 VAL CG2 C 22.806 0.400 1 654 62 62 VAL N N 118.067 0.400 1 655 63 63 PHE H H 9.140 0.020 1 656 63 63 PHE HA H 4.060 0.020 1 657 63 63 PHE HB2 H 2.894 0.020 1 658 63 63 PHE HB3 H 3.075 0.020 1 659 63 63 PHE HD1 H 6.964 0.020 1 660 63 63 PHE HD2 H 6.964 0.020 1 661 63 63 PHE HE1 H 7.205 0.020 1 662 63 63 PHE HE2 H 7.205 0.020 1 663 63 63 PHE CA C 61.969 0.400 1 664 63 63 PHE CB C 39.313 0.400 1 665 63 63 PHE CD1 C 131.000 0.400 1 666 63 63 PHE CD2 C 131.000 0.400 1 667 63 63 PHE CE1 C 131.000 0.400 1 668 63 63 PHE CE2 C 131.000 0.400 1 669 63 63 PHE N N 121.548 0.400 1 670 64 64 SER H H 8.260 0.020 1 671 64 64 SER HA H 4.010 0.020 1 672 64 64 SER HB2 H 3.760 0.020 2 673 64 64 SER HB3 H 3.760 0.020 2 674 64 64 SER CA C 62.177 0.400 1 675 64 64 SER CB C 63.233 0.400 1 676 64 64 SER N N 115.900 0.400 1 677 65 65 ILE H H 7.444 0.020 1 678 65 65 ILE HA H 3.759 0.020 1 679 65 65 ILE HB H 1.950 0.020 1 680 65 65 ILE HD1 H 0.748 0.020 1 681 65 65 ILE HG12 H 1.691 0.020 2 682 65 65 ILE HG13 H 1.691 0.020 2 683 65 65 ILE HG2 H 0.797 0.020 1 684 65 65 ILE CA C 64.771 0.400 1 685 65 65 ILE CB C 38.058 0.400 1 686 65 65 ILE CD1 C 13.345 0.400 1 687 65 65 ILE CG1 C 33.635 0.400 1 688 65 65 ILE CG2 C 16.851 0.400 1 689 65 65 ILE N N 122.532 0.400 1 690 66 66 ILE H H 8.078 0.020 1 691 66 66 ILE HA H 3.631 0.020 1 692 66 66 ILE HB H 1.671 0.020 1 693 66 66 ILE HD1 H 0.797 0.020 1 694 66 66 ILE HG12 H 1.562 0.020 2 695 66 66 ILE HG13 H 1.562 0.020 2 696 66 66 ILE HG2 H 0.736 0.020 1 697 66 66 ILE CA C 65.065 0.400 1 698 66 66 ILE CB C 38.637 0.400 1 699 66 66 ILE CD1 C 15.552 0.400 1 700 66 66 ILE CG1 C 28.966 0.400 1 701 66 66 ILE CG2 C 16.138 0.400 1 702 66 66 ILE N N 120.157 0.400 1 703 67 67 SER H H 8.047 0.020 1 704 67 67 SER HA H 4.300 0.020 1 705 67 67 SER HB2 H 3.530 0.020 2 706 67 67 SER HB3 H 3.638 0.020 2 707 67 67 SER CA C 61.638 0.400 1 708 67 67 SER CB C 62.605 0.400 1 709 67 67 SER N N 114.178 0.400 1 710 68 68 SER H H 7.718 0.020 1 711 68 68 SER HA H 4.293 0.020 1 712 68 68 SER HB2 H 3.965 0.020 2 713 68 68 SER HB3 H 3.965 0.020 2 714 68 68 SER CA C 60.558 0.400 1 715 68 68 SER CB C 64.001 0.400 1 716 68 68 SER N N 116.627 0.400 1 717 69 69 GLU H H 7.869 0.020 1 718 69 69 GLU HA H 4.108 0.020 1 719 69 69 GLU HB2 H 2.011 0.020 2 720 69 69 GLU HB3 H 1.965 0.020 2 721 69 69 GLU HG2 H 2.151 0.020 2 722 69 69 GLU HG3 H 2.394 0.020 2 723 69 69 GLU CA C 57.672 0.400 1 724 69 69 GLU CB C 29.802 0.400 1 725 69 69 GLU CG C 36.593 0.400 1 726 69 69 GLU N N 121.689 0.400 1 727 70 70 LYS H H 7.777 0.020 1 728 70 70 LYS HA H 4.164 0.020 1 729 70 70 LYS HB2 H 1.767 0.020 2 730 70 70 LYS HB3 H 1.767 0.020 2 731 70 70 LYS HD2 H 1.600 0.020 2 732 70 70 LYS HD3 H 1.600 0.020 2 733 70 70 LYS HE2 H 2.909 0.020 2 734 70 70 LYS HE3 H 2.909 0.020 2 735 70 70 LYS HG2 H 1.436 0.020 2 736 70 70 LYS HG3 H 1.436 0.020 2 737 70 70 LYS CA C 57.197 0.400 1 738 70 70 LYS CB C 32.708 0.400 1 739 70 70 LYS CD C 29.062 0.400 1 740 70 70 LYS CE C 42.193 0.400 1 741 70 70 LYS CG C 24.062 0.400 1 742 70 70 LYS N N 119.213 0.400 1 743 71 71 GLU H H 7.932 0.020 1 744 71 71 GLU HA H 4.165 0.020 1 745 71 71 GLU HB2 H 1.979 0.020 2 746 71 71 GLU HB3 H 1.871 0.020 2 747 71 71 GLU HG2 H 2.230 0.020 2 748 71 71 GLU HG3 H 2.154 0.020 2 749 71 71 GLU CA C 56.855 0.400 1 750 71 71 GLU CB C 30.075 0.400 1 751 71 71 GLU CG C 36.400 0.400 1 752 71 71 GLU N N 119.693 0.400 1 753 72 72 LEU H H 7.962 0.020 1 754 72 72 LEU HA H 4.271 0.020 1 755 72 72 LEU HB2 H 1.588 0.020 2 756 72 72 LEU HB3 H 1.588 0.020 2 757 72 72 LEU HD1 H 0.776 0.020 2 758 72 72 LEU HD2 H 0.849 0.020 2 759 72 72 LEU HG H 1.588 0.020 1 760 72 72 LEU CA C 55.216 0.400 1 761 72 72 LEU CB C 35.468 0.400 1 762 72 72 LEU CD1 C 23.289 0.400 1 763 72 72 LEU CD2 C 24.621 0.400 1 764 72 72 LEU CG C 26.938 0.400 1 765 72 72 LEU N N 122.325 0.400 1 766 73 73 LYS H H 8.144 0.020 1 767 73 73 LYS HA H 4.299 0.020 1 768 73 73 LYS HB2 H 1.807 0.020 2 769 73 73 LYS HB3 H 1.807 0.020 2 770 73 73 LYS HD2 H 1.607 0.020 2 771 73 73 LYS HD3 H 1.607 0.020 2 772 73 73 LYS HE2 H 2.920 0.020 2 773 73 73 LYS HE3 H 2.920 0.020 2 774 73 73 LYS HG2 H 1.375 0.020 2 775 73 73 LYS HG3 H 1.375 0.020 2 776 73 73 LYS CA C 56.232 0.400 1 777 73 73 LYS CB C 32.828 0.400 1 778 73 73 LYS CD C 28.966 0.400 1 779 73 73 LYS CE C 42.482 0.400 1 780 73 73 LYS CG C 24.814 0.400 1 781 73 73 LYS N N 122.470 0.400 1 782 74 74 ASN H H 7.928 0.020 1 783 74 74 ASN HA H 4.399 0.020 1 784 74 74 ASN HD21 H 7.424 0.020 2 785 74 74 ASN HD22 H 6.707 0.020 2 786 74 74 ASN CA C 54.860 0.400 1 787 74 74 ASN CB C 40.518 0.400 1 788 74 74 ASN N N 125.468 0.400 1 789 74 74 ASN ND2 N 112.600 0.400 1 stop_ save_