data_17425 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Staphylococcus aureus pathogenicity island 1 protein gp6, an internal scaffold in size determination ; _BMRB_accession_number 17425 _BMRB_flat_file_name bmr17425.str _Entry_type original _Submission_date 2011-01-31 _Accession_date 2011-01-31 _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 Dearborn Altaira D. . 2 Spilman Michael S. . 3 Damle Priyadarshan K. . 4 Chang Jenny R. . 5 Monroe Eric B. . 6 Saad Jamil S. . 7 Christie Gail E. . 8 Dokland Terje . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 353 "13C chemical shifts" 212 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 update BMRB 'update entry citation' 2011-08-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Staphylococcus aureus pathogenicity island 1 protein gp6 functions as an internal scaffold during capsid size determination.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21821042 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dearborn Altaira D. . 2 Spilman Michael S. . 3 Damle Priyadarshan K. . 4 Chang Jenny R. . 5 Monroe Eric B. . 6 Saad Jamil S. . 7 Christie Gail E. . 8 Dokland Terje . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 412 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 710 _Page_last 722 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'island 1 protein gp6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'island 1 protein gp6' $gp6 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_gp6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8150.116 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; ETKYELNNTKKVANAFGLNE EDTNLLINAVDLDIKNNMQE ISSELQQSEQSKQKQYGTTL QNLAKQNRIIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLU 2 3 THR 3 4 LYS 4 5 TYR 5 6 GLU 6 7 LEU 7 8 ASN 8 9 ASN 9 10 THR 10 11 LYS 11 12 LYS 12 13 VAL 13 14 ALA 14 15 ASN 15 16 ALA 16 17 PHE 17 18 GLY 18 19 LEU 19 20 ASN 20 21 GLU 21 22 GLU 22 23 ASP 23 24 THR 24 25 ASN 25 26 LEU 26 27 LEU 27 28 ILE 28 29 ASN 29 30 ALA 30 31 VAL 31 32 ASP 32 33 LEU 33 34 ASP 34 35 ILE 35 36 LYS 36 37 ASN 37 38 ASN 38 39 MET 39 40 GLN 40 41 GLU 41 42 ILE 42 43 SER 43 44 SER 44 45 GLU 45 46 LEU 46 47 GLN 47 48 GLN 48 49 SER 49 50 GLU 50 51 GLN 51 52 SER 52 53 LYS 53 54 GLN 54 55 LYS 55 56 GLN 56 57 TYR 57 58 GLY 58 59 THR 59 60 THR 60 61 LEU 61 62 GLN 62 63 ASN 63 64 LEU 64 65 ALA 65 66 LYS 66 67 GLN 67 68 ASN 68 69 ARG 69 70 ILE 70 71 ILE 71 72 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-24 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 2L8T "Staphylococcus Aureus Pathogenicity Island 1 Protein Gp6, An Internal Scaffold In Size Determination" 100.00 71 100.00 100.00 3.23e-40 DBJ BAB43103 "hypothetical protein [Staphylococcus aureus subsp. aureus N315]" 100.00 72 98.59 98.59 1.95e-39 DBJ BAB56959 "hypothetical protein [Staphylococcus aureus subsp. aureus Mu50]" 100.00 72 98.59 98.59 1.95e-39 DBJ BAB58178 "hypothetical protein [Staphylococcus aureus subsp. aureus Mu50]" 100.00 72 98.59 98.59 1.95e-39 DBJ BAF77676 "hypothetical protein SAHV_0793 [Staphylococcus aureus subsp. aureus Mu3]" 100.00 72 98.59 98.59 1.95e-39 DBJ BAF78884 "hypothetical protein SAHV_2001 [Staphylococcus aureus subsp. aureus Mu3]" 100.00 72 98.59 98.59 1.95e-39 EMBL CBI48784 "pathogenicity island protein [Staphylococcus aureus subsp. aureus TW20]" 100.00 72 98.59 98.59 2.67e-39 EMBL CEH25196 "Hypothetical SAV0797 homolog in superantigen-encoding pathogenicity islands SaPI [Staphylococcus aureus]" 100.00 72 100.00 100.00 3.10e-40 EMBL CEH25509 "Hypothetical SAV0797 homolog in superantigen-encoding pathogenicity islands SaPI [Staphylococcus aureus]" 100.00 72 100.00 100.00 3.10e-40 EMBL CEZ61431 "hypothetical mobile element-associated protein [Staphylococcus aureus]" 100.00 72 97.18 97.18 5.08e-38 EMBL CFA52483 "hypothetical mobile element-associated protein [Staphylococcus aureus]" 100.00 72 98.59 98.59 1.95e-39 GB AAC28957 "orf6 [Staphylococcus aureus]" 100.00 72 100.00 100.00 3.10e-40 GB AAL04130 "unknown [Staphylococcus aureus subsp. aureus COL]" 100.00 72 97.18 97.18 5.08e-38 GB AAW37873 "pathogenicity island protein [Staphylococcus aureus subsp. aureus COL]" 100.00 72 97.18 97.18 5.08e-38 GB ABJ97292 "hypothetical protein [Staphylococcus aureus]" 100.00 72 100.00 100.00 3.10e-40 GB ACY10719 "pathogenicity island protein ORF8 [Staphylococcus aureus subsp. aureus ED98]" 100.00 72 97.18 97.18 1.83e-38 REF WP_000404187 "hypothetical protein [Staphylococcus aureus]" 100.00 72 97.18 97.18 1.83e-38 REF WP_000448101 "hypothetical protein [Staphylococcus aureus]" 100.00 72 97.18 97.18 5.08e-38 REF WP_000448770 "hypothetical protein [Staphylococcus aureus]" 100.00 72 98.59 98.59 1.95e-39 REF WP_000448771 "hypothetical protein [Staphylococcus aureus]" 100.00 72 98.59 98.59 9.21e-40 REF WP_000448772 "hypothetical protein [Staphylococcus aureus]" 100.00 72 98.59 98.59 3.62e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $gp6 'Staphylococcus aureus' 1280 Bacteria . Staphylococcus aureus 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 $gp6 'recombinant technology' . Escherichia coli . pHis6 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 $gp6 1 mM '[U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $gp6 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Ultrashield Plus' _Field_strength 700 _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_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 200 . mM pH 7.0 . 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 TMS C 13 'methyl carbons' ppm 0 external direct . . . 1.0 water H 1 protons ppm 4.706 internal direct . . . 1.0 urea N 15 nitrogen ppm 0 external direct . . . 1.0 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 TOCSY' '3D 1H-15N NOESY' '3D HN(COCA)CB' '3D HN(CO)CA' '3D HNCA' '3D HNCACB' 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 'island 1 protein gp6' _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 2 1 GLU HA H 4.2850 0.02 1 2 2 1 GLU HB2 H 1.9789 0.02 1 3 2 1 GLU HB3 H 1.8391 0.02 1 4 2 1 GLU HG2 H 2.3000 0.02 1 5 2 1 GLU HG3 H 2.1540 0.02 1 6 2 1 GLU H H 8.3259 0.02 1 7 2 1 GLU CA C 50.1064 0.05 1 8 2 1 GLU CB C 27.7456 0.05 1 9 2 1 GLU CG C 38.4166 0.05 1 10 2 1 GLU N N 122.8506 0.05 1 11 3 2 THR H H 8.1010 0.02 1 12 3 2 THR HA H 4.2621 0.02 1 13 3 2 THR HB H 4.0084 0.02 1 14 3 2 THR HG2 H 1.0750 0.02 1 15 3 2 THR CA C 58.9028 0.05 1 16 3 2 THR CB C 67.0477 0.05 1 17 3 2 THR CG2 C 18.3914 0.05 1 18 3 2 THR N N 116.5329 0.05 1 19 4 3 LYS H H 8.5560 0.02 1 20 4 3 LYS HA H 4.1779 0.02 1 21 4 3 LYS HB2 H 1.5722 0.02 1 22 4 3 LYS HB3 H 1.4862 0.02 1 23 4 3 LYS HG2 H 1.4870 0.02 1 24 4 3 LYS HG3 H 1.4870 0.02 1 25 4 3 LYS HD2 H 1.1160 0.02 1 26 4 3 LYS HD3 H 1.1160 0.02 1 27 4 3 LYS CA C 53.4828 0.05 1 28 4 3 LYS CB C 30.4012 0.05 1 29 4 3 LYS CG C 26.0116 0.05 1 30 4 3 LYS CD C 21.7511 0.05 1 31 4 3 LYS N N 124.7803 0.05 1 32 5 4 TYR H H 7.9730 0.02 1 33 5 4 TYR HA H 4.5859 0.02 1 34 5 4 TYR HB2 H 2.7886 0.02 1 35 5 4 TYR HB3 H 2.6232 0.02 1 36 5 4 TYR HD1 H 6.9770 0.02 1 37 5 4 TYR HD2 H 6.9770 0.02 1 38 5 4 TYR HE1 H 6.6910 0.02 1 39 5 4 TYR HE2 H 6.6910 0.02 1 40 5 4 TYR CA C 54.1074 0.05 1 41 5 4 TYR CB C 36.4555 0.05 1 42 5 4 TYR CD1 C 130.0100 0.05 1 43 5 4 TYR CD2 C 130.0100 0.05 1 44 5 4 TYR CE1 C 115.7880 0.05 1 45 5 4 TYR CE2 C 115.7880 0.05 1 46 5 4 TYR N N 120.0641 0.05 1 47 6 5 GLU H H 8.6290 0.02 1 48 6 5 GLU HA H 4.4114 0.02 1 49 6 5 GLU HB2 H 2.0606 0.02 1 50 6 5 GLU HB3 H 1.9820 0.02 1 51 6 5 GLU HG2 H 2.2320 0.02 1 52 6 5 GLU HG3 H 2.2320 0.02 1 53 6 5 GLU CA C 53.1226 0.05 1 54 6 5 GLU CB C 27.6386 0.05 1 55 6 5 GLU CG C 33.3232 0.05 1 56 6 5 GLU N N 121.7818 0.05 1 57 7 6 LEU HA H 4.5058 0.02 1 58 7 6 LEU HB2 H 1.6827 0.02 1 59 7 6 LEU HB3 H 1.5322 0.02 1 60 7 6 LEU HG H 1.6454 0.02 1 61 7 6 LEU HD1 H 1.0167 0.02 1 62 7 6 LEU CA C 50.0819 0.05 1 63 7 6 LEU CB C 37.0327 0.05 1 64 7 6 LEU CG C 23.2662 0.05 1 65 7 6 LEU CD1 C 24.1421 0.05 1 66 7 6 LEU CD2 C 20.7907 0.05 1 67 8 7 ASN H H 7.3280 0.02 1 68 8 7 ASN HA H 4.2406 0.02 1 69 8 7 ASN HB2 H 2.7023 0.02 1 70 8 7 ASN HB3 H 2.7130 0.02 1 71 8 7 ASN HD21 H 7.1725 0.02 1 72 8 7 ASN HD22 H 7.5934 0.02 1 73 8 7 ASN CA C 54.6743 0.05 1 74 8 7 ASN CB C 36.3671 0.05 1 75 8 7 ASN N N 116.3391 0.05 1 76 8 7 ASN ND2 N 114.3437 0.05 1 77 9 8 ASN H H 11.0200 0.02 1 78 9 8 ASN HA H 4.3464 0.02 1 79 9 8 ASN HB2 H 3.0397 0.02 1 80 9 8 ASN HB3 H 2.3954 0.02 1 81 9 8 ASN HD21 H 7.3601 0.02 1 82 9 8 ASN HD22 H 7.5592 0.02 1 83 9 8 ASN CA C 55.3198 0.05 1 84 9 8 ASN CB C 36.0162 0.05 1 85 9 8 ASN N N 121.7093 0.05 1 86 9 8 ASN ND2 N 116.8438 0.05 1 87 10 9 THR H H 10.0150 0.02 1 88 10 9 THR HA H 3.4273 0.02 1 89 10 9 THR HB H 4.0910 0.02 1 90 10 9 THR HG1 H 5.7384 0.02 1 91 10 9 THR CA C 65.8391 0.05 1 92 10 9 THR CB C 64.6719 0.05 1 93 10 9 THR CG2 C 18.4717 0.05 1 94 10 9 THR N N 123.5500 0.05 1 95 11 10 LYS H H 8.0982 0.02 1 96 11 10 LYS HA H 3.7259 0.02 1 97 11 10 LYS HB2 H 1.9910 0.02 1 98 11 10 LYS HB3 H 1.7665 0.02 1 99 11 10 LYS HG2 H 1.6275 0.02 1 100 11 10 LYS HG3 H 1.1941 0.02 1 101 11 10 LYS HD2 H 1.6560 0.02 1 102 11 10 LYS HD3 H 1.6560 0.02 1 103 11 10 LYS CA C 64.5663 0.05 1 104 11 10 LYS CB C 29.6260 0.05 1 105 11 10 LYS CG C 24.4475 0.05 1 106 11 10 LYS CD C 26.8901 0.05 1 107 11 10 LYS N N 119.0099 0.05 1 108 12 11 LYS H H 7.5330 0.02 1 109 12 11 LYS HA H 4.0231 0.02 1 110 12 11 LYS HB2 H 1.9576 0.02 1 111 12 11 LYS HB3 H 1.7989 0.02 1 112 12 11 LYS HG2 H 1.5896 0.02 1 113 12 11 LYS HG3 H 1.3736 0.02 1 114 12 11 LYS HD2 H 1.6500 0.02 1 115 12 11 LYS HD3 H 1.6500 0.02 1 116 12 11 LYS CA C 57.2530 0.05 1 117 12 11 LYS CB C 29.5319 0.05 1 118 12 11 LYS CG C 22.7864 0.05 1 119 12 11 LYS CD C 27.0698 0.05 1 120 12 11 LYS N N 120.0864 0.05 1 121 13 12 VAL H H 7.9340 0.02 1 122 13 12 VAL HA H 3.4530 0.02 1 123 13 12 VAL HB H 1.7806 0.02 1 124 13 12 VAL HG1 H 0.8194 0.02 2 125 13 12 VAL HG2 H 0.4240 0.02 2 126 13 12 VAL CA C 62.9497 0.05 1 127 13 12 VAL CB C 33.5970 0.05 1 128 13 12 VAL CG1 C 20.7452 0.05 2 129 13 12 VAL CG2 C 19.7753 0.05 2 130 13 12 VAL N N 121.0217 0.05 1 131 14 13 ALA H H 8.1700 0.02 1 132 14 13 ALA HA H 3.7298 0.02 1 133 14 13 ALA HB H 1.4560 0.02 1 134 14 13 ALA CA C 52.8997 0.05 1 135 14 13 ALA CB C 18.0524 0.05 1 136 14 13 ALA N N 121.7309 0.05 1 137 15 14 ASN H H 7.6430 0.02 1 138 15 14 ASN HA H 4.5315 0.02 1 139 15 14 ASN HB2 H 2.8359 0.02 1 140 15 14 ASN HB3 H 2.7704 0.02 1 141 15 14 ASN CA C 53.4068 0.05 1 142 15 14 ASN CB C 36.3946 0.05 1 143 15 14 ASN N N 114.2927 0.05 1 144 16 15 ALA H H 7.9290 0.02 1 145 16 15 ALA HA H 4.1084 0.02 1 146 16 15 ALA HB H 1.4050 0.02 1 147 16 15 ALA CA C 52.2640 0.05 1 148 16 15 ALA CB C 14.8601 0.05 1 149 16 15 ALA N N 125.4134 0.05 1 150 17 16 PHE H H 8.0790 0.02 1 151 17 16 PHE HA H 4.8051 0.02 1 152 17 16 PHE HB2 H 3.3633 0.02 1 153 17 16 PHE HB3 H 3.0923 0.02 1 154 17 16 PHE HD1 H 6.9540 0.02 1 155 17 16 PHE HD2 H 6.9540 0.02 1 156 17 16 PHE HE1 H 7.1550 0.02 1 157 17 16 PHE HE2 H 7.1550 0.02 1 158 17 16 PHE HZ H 7.4220 0.02 1 159 17 16 PHE CA C 52.1593 0.05 1 160 17 16 PHE CB C 35.2493 0.05 1 161 17 16 PHE CD1 C 126.6300 0.05 1 162 17 16 PHE CD2 C 126.6300 0.05 1 163 17 16 PHE CE1 C 128.3000 0.05 1 164 17 16 PHE CE2 C 128.3000 0.05 1 165 17 16 PHE CZ C 126.9483 0.05 1 166 17 16 PHE N N 115.6714 0.05 1 167 18 17 GLY H H 7.9170 0.02 1 168 18 17 GLY HA2 H 3.9682 0.02 1 169 18 17 GLY HA3 H 3.8598 0.02 1 170 18 17 GLY CA C 43.4940 0.05 1 171 18 17 GLY N N 108.2885 0.05 1 172 19 18 LEU H H 7.5420 0.02 1 173 19 18 LEU HA H 4.3026 0.02 1 174 19 18 LEU HB2 H 1.7236 0.02 1 175 19 18 LEU HB3 H 1.2418 0.02 1 176 19 18 LEU HG H 1.8275 0.02 1 177 19 18 LEU HD1 H 0.7770 0.02 1 178 19 18 LEU HD2 H 0.4236 0.02 1 179 19 18 LEU CA C 52.1670 0.05 1 180 19 18 LEU CB C 38.2003 0.05 1 181 19 18 LEU CG C 24.3058 0.05 1 182 19 18 LEU CD1 C 22.8500 0.05 1 183 19 18 LEU CD2 C 18.8647 0.05 1 184 19 18 LEU N N 118.0379 0.05 1 185 20 19 ASN H H 9.1885 0.02 1 186 20 19 ASN HA H 4.5326 0.02 1 187 20 19 ASN HB2 H 3.3802 0.02 1 188 20 19 ASN HB3 H 2.9569 0.02 1 189 20 19 ASN HD21 H 6.9162 0.02 1 190 20 19 ASN HD22 H 7.2478 0.02 1 191 20 19 ASN CA C 48.8733 0.05 1 192 20 19 ASN CB C 35.1406 0.05 1 193 20 19 ASN N N 121.0876 0.05 1 194 20 19 ASN ND2 N 109.8912 0.05 1 195 21 20 GLU H H 8.7020 0.02 1 196 21 20 GLU HA H 3.8849 0.02 1 197 21 20 GLU HB2 H 2.0737 0.02 1 198 21 20 GLU HB3 H 1.9755 0.02 1 199 21 20 GLU HG2 H 2.2320 0.02 1 200 21 20 GLU HG3 H 2.2320 0.02 1 201 21 20 GLU CA C 58.1330 0.05 1 202 21 20 GLU CB C 26.9938 0.05 1 203 21 20 GLU CG C 37.0851 0.05 1 204 21 20 GLU N N 121.3751 0.05 1 205 22 21 GLU H H 8.2650 0.02 1 206 22 21 GLU HA H 4.0498 0.02 1 207 22 21 GLU HB2 H 2.0430 0.02 1 208 22 21 GLU HB3 H 2.0430 0.02 1 209 22 21 GLU HG2 H 2.3419 0.02 1 210 22 21 GLU HG3 H 2.2700 0.02 1 211 22 21 GLU CA C 57.2521 0.05 1 212 22 21 GLU CB C 27.4252 0.05 1 213 22 21 GLU CG C 33.8630 0.05 1 214 22 21 GLU N N 120.5913 0.05 1 215 23 22 ASP H H 9.0420 0.02 1 216 23 22 ASP HA H 4.6474 0.02 1 217 23 22 ASP HB2 H 2.4309 0.02 2 218 23 22 ASP HB3 H 2.2533 0.02 2 219 23 22 ASP CA C 54.6707 0.05 1 220 23 22 ASP CB C 37.3685 0.05 1 221 23 22 ASP N N 122.6601 0.05 1 222 24 23 THR H H 8.4690 0.02 1 223 24 23 THR HA H 3.6691 0.02 1 224 24 23 THR HB H 4.2396 0.02 1 225 24 23 THR HG2 H 1.0820 0.02 1 226 24 23 THR CA C 65.7794 0.05 1 227 24 23 THR CB C 65.1193 0.05 1 228 24 23 THR CG2 C 17.8633 0.05 1 229 24 23 THR N N 118.1358 0.05 1 230 25 24 ASN H H 8.1260 0.02 1 231 25 24 ASN HA H 4.4168 0.02 1 232 25 24 ASN HB2 H 2.9399 0.02 1 233 25 24 ASN HB3 H 2.7580 0.02 1 234 25 24 ASN CA C 53.7762 0.05 1 235 25 24 ASN CB C 35.2460 0.05 1 236 25 24 ASN N N 120.2712 0.05 1 237 26 25 LEU H H 8.0730 0.02 1 238 26 25 LEU HA H 4.1149 0.02 1 239 26 25 LEU HB2 H 2.1247 0.02 1 240 26 25 LEU HB3 H 1.8361 0.02 1 241 26 25 LEU HG H 1.7892 0.02 1 242 26 25 LEU HD1 H 1.0140 0.02 1 243 26 25 LEU HD2 H 0.9648 0.02 1 244 26 25 LEU CA C 55.7824 0.05 1 245 26 25 LEU CB C 39.8752 0.05 1 246 26 25 LEU CG C 23.6451 0.05 1 247 26 25 LEU CD1 C 21.8108 0.05 1 248 26 25 LEU CD2 C 21.6422 0.05 1 249 26 25 LEU N N 121.9986 0.05 1 250 27 26 LEU H H 8.1509 0.02 1 251 27 26 LEU HA H 4.1385 0.02 1 252 27 26 LEU HB2 H 2.3325 0.02 1 253 27 26 LEU HB3 H 1.6905 0.02 1 254 27 26 LEU HG H 1.5316 0.02 1 255 27 26 LEU HD1 H 0.9326 0.02 1 256 27 26 LEU HD2 H 0.4533 0.02 1 257 27 26 LEU CA C 55.8138 0.05 1 258 27 26 LEU CB C 39.2673 0.05 1 259 27 26 LEU CG C 24.4480 0.05 1 260 27 26 LEU CD1 C 23.5590 0.05 1 261 27 26 LEU CD2 C 20.3081 0.05 1 262 27 26 LEU N N 121.0039 0.05 1 263 28 27 ILE H H 8.6800 0.02 1 264 28 27 ILE HA H 3.5532 0.02 1 265 28 27 ILE HB H 2.0076 0.02 1 266 28 27 ILE HG12 H 1.5105 0.02 1 267 28 27 ILE HG13 H 1.5105 0.02 1 268 28 27 ILE HG2 H 0.8912 0.02 1 269 28 27 ILE HD1 H 0.7713 0.02 1 270 28 27 ILE CA C 61.9356 0.05 1 271 28 27 ILE CB C 33.9332 0.05 1 272 28 27 ILE CG1 C 25.8765 0.05 1 273 28 27 ILE CG2 C 14.8928 0.05 1 274 28 27 ILE CD1 C 10.2168 0.05 1 275 28 27 ILE N N 118.5515 0.05 1 276 29 28 ASN H H 8.1780 0.02 1 277 29 28 ASN HA H 4.3861 0.02 1 278 29 28 ASN HB2 H 2.8649 0.02 1 279 29 28 ASN HB3 H 2.7421 0.02 1 280 29 28 ASN CA C 57.8431 0.05 1 281 29 28 ASN CB C 35.8379 0.05 1 282 29 28 ASN N N 117.3175 0.05 1 283 30 29 ALA H H 7.7640 0.02 1 284 30 29 ALA HA H 3.9532 0.02 1 285 30 29 ALA HB H 1.3629 0.02 1 286 30 29 ALA CA C 53.81674 0.05 1 287 30 29 ALA CB C 15.8225 0.05 1 288 30 29 ALA N N 123.5063 0.05 1 289 31 30 VAL H H 8.2300 0.02 1 290 31 30 VAL HA H 3.4752 0.02 1 291 31 30 VAL HB H 2.1469 0.02 1 292 31 30 VAL HG2 H 1.1986 0.02 1 293 31 30 VAL CA C 64.4222 0.05 1 294 31 30 VAL CB C 28.8760 0.05 1 295 31 30 VAL CG1 C 20.7490 0.05 1 296 31 30 VAL CG2 C 20.1726 0.05 1 297 31 30 VAL N N 119.5632 0.05 1 298 32 31 ASP H H 8.4690 0.02 1 299 32 31 ASP HA H 4.3367 0.02 1 300 32 31 ASP HB2 H 2.9057 0.02 1 301 32 31 ASP HB3 H 2.7842 0.02 1 302 32 31 ASP CA C 53.6838 0.05 1 303 32 31 ASP CB C 39.3156 0.05 1 304 32 31 ASP N N 119.3449 0.05 1 305 33 32 LEU H H 7.8590 0.02 1 306 33 32 LEU HA H 4.0753 0.02 1 307 33 32 LEU HB2 H 1.8002 0.02 1 308 33 32 LEU HB3 H 1.5990 0.02 1 309 33 32 LEU HG H 1.7629 0.02 1 310 33 32 LEU HD1 H 0.8577 0.02 1 311 33 32 LEU HD2 H 0.8577 0.02 1 312 33 32 LEU CA C 55.2032 0.05 1 313 33 32 LEU CB C 39.5447 0.05 1 314 33 32 LEU CG C 24.0507 0.05 1 315 33 32 LEU CD1 C 21.6658 0.05 1 316 33 32 LEU CD2 C 20.8805 0.05 1 317 33 32 LEU N N 118.5115 0.05 1 318 34 33 ASP H H 8.4260 0.02 1 319 34 33 ASP HA H 4.6618 0.02 1 320 34 33 ASP HB2 H 2.9729 0.02 1 321 34 33 ASP HB3 H 2.5484 0.02 1 322 34 33 ASP CA C 55.3389 0.05 1 323 34 33 ASP CB C 39.0101 0.05 1 324 34 33 ASP N N 120.2962 0.05 1 325 35 34 ILE H H 9.0050 0.02 1 326 35 34 ILE HA H 3.2826 0.02 1 327 35 34 ILE HB H 1.8705 0.02 1 328 35 34 ILE HG12 H 1.7675 0.02 1 329 35 34 ILE HG13 H 0.5168 0.02 1 330 35 34 ILE HG2 H 0.3698 0.02 1 331 35 34 ILE HD1 H 0.4688 0.02 1 332 35 34 ILE CA C 64.5157 0.05 1 333 35 34 ILE CB C 34.5589 0.05 1 334 35 34 ILE CG1 C 26.7946 0.05 1 335 35 34 ILE CG2 C 16.5699 0.05 1 336 35 34 ILE CD1 C 11.3727 0.05 1 337 35 34 ILE N N 123.8513 0.05 1 338 36 35 LYS H H 8.0890 0.02 1 339 36 35 LYS HA H 3.9426 0.02 1 340 36 35 LYS HB2 H 2.6484 0.02 1 341 36 35 LYS HB3 H 1.9700 0.02 1 342 36 35 LYS CA C 57.1277 0.05 1 343 36 35 LYS CB C 33.9406 0.05 1 344 36 35 LYS CG C 23.3953 0.05 1 345 36 35 LYS CD C 26.5528 0.05 1 346 36 35 LYS N N 119.4196 0.05 1 347 37 36 ASN H H 8.4230 0.02 1 348 37 36 ASN HA H 4.6206 0.02 1 349 37 36 ASN HB2 H 3.0518 0.02 1 350 37 36 ASN HB3 H 2.9788 0.02 1 351 37 36 ASN CA C 52.2935 0.05 1 352 37 36 ASN CB C 35.7802 0.05 1 353 37 36 ASN N N 116.8209 0.05 1 354 38 37 ASN HA H 4.9641 0.02 1 355 38 37 ASN HB2 H 2.7394 0.02 2 356 38 37 ASN HB3 H 2.5141 0.02 2 357 38 37 ASN HD21 H 7.6371 0.02 2 358 38 37 ASN HD22 H 8.1062 0.02 2 359 38 37 ASN CA C 52.0545 0.05 1 360 38 37 ASN CB C 39.7832 0.05 1 361 38 37 ASN N N 117.2688 0.05 1 362 38 37 ASN ND2 N 116.1417 0.05 1 363 39 38 MET H H 7.8350 0.02 1 364 39 38 MET HA H 4.1698 0.02 1 365 39 38 MET HB2 H 2.2023 0.02 1 366 39 38 MET HB3 H 2.0930 0.02 1 367 39 38 MET HG2 H 2.6680 0.02 1 368 39 38 MET HG3 H 2.5680 0.02 1 369 39 38 MET CA C 55.7938 0.05 1 370 39 38 MET CB C 30.2056 0.05 1 371 39 38 MET CG C 29.7129 0.05 1 372 39 38 MET N N 119.3981 0.05 1 373 40 39 GLN H H 8.3880 0.02 1 374 40 39 GLN HA H 4.1384 0.02 1 375 40 39 GLN HB2 H 2.1240 0.02 1 376 40 39 GLN HB3 H 2.1240 0.02 1 377 40 39 GLN HG2 H 2.4230 0.02 1 378 40 39 GLN HG3 H 2.4230 0.02 1 379 40 39 GLN CA C 55.7503 0.05 1 380 40 39 GLN CB C 28.6569 0.05 1 381 40 39 GLN CG C 31.3139 0.05 1 382 40 39 GLN N N 119.1486 0.05 1 383 41 40 GLU H H 8.2450 0.02 1 384 41 40 GLU HA H 4.2130 0.02 1 385 41 40 GLU HB2 H 2.1540 0.02 2 386 41 40 GLU HB3 H 2.1540 0.02 2 387 41 40 GLU HG2 H 2.3880 0.02 2 388 41 40 GLU HG3 H 2.3880 0.02 2 389 41 40 GLU CA C 55.7129 0.05 1 390 41 40 GLU CB C 27.2063 0.05 1 391 41 40 GLU CG C 33.8652 0.05 1 392 41 40 GLU N N 121.5082 0.05 1 393 42 41 ILE H H 8.2790 0.02 1 394 42 41 ILE HA H 3.9714 0.02 1 395 42 41 ILE HB H 1.7797 0.02 1 396 42 41 ILE HG12 H 1.5147 0.02 1 397 42 41 ILE HG13 H 0.8509 0.02 1 398 42 41 ILE HG2 H 0.8371 0.02 1 399 42 41 ILE HD1 H 0.6566 0.02 1 400 42 41 ILE CA C 61.0594 0.05 1 401 42 41 ILE CB C 35.8450 0.05 1 402 42 41 ILE CG1 C 25.8316 0.05 1 403 42 41 ILE CG2 C 16.8000 0.05 1 404 42 41 ILE CD1 C 12.4189 0.05 1 405 42 41 ILE N N 120.7425 0.05 1 406 43 42 SER H H 8.2020 0.02 1 407 43 42 SER HA H 4.3075 0.02 1 408 43 42 SER HB2 H 3.9130 0.02 1 409 43 42 SER HB3 H 3.9130 0.02 1 410 43 42 SER CA C 57.9918 0.05 1 411 43 42 SER CB C 60.7276 0.05 1 412 43 42 SER N N 115.8301 0.05 1 413 44 43 SER H H 8.1903 0.02 1 414 44 43 SER HA H 4.3337 0.02 1 415 44 43 SER HB2 H 3.9750 0.02 1 416 44 43 SER HB3 H 3.9750 0.02 1 417 44 43 SER CA C 57.3926 0.05 1 418 44 43 SER CB C 60.6413 0.05 1 419 44 43 SER N N 117.3294 0.05 1 420 45 44 GLU H H 8.2080 0.02 1 421 45 44 GLU HA H 4.1836 0.02 1 422 45 44 GLU HB2 H 2.1240 0.02 1 423 45 44 GLU HB3 H 2.1240 0.02 1 424 45 44 GLU HG2 H 2.3704 0.02 1 425 45 44 GLU HG3 H 2.2736 0.02 1 426 45 44 GLU CA C 55.5387 0.05 1 427 45 44 GLU CB C 27.0729 0.05 1 428 45 44 GLU CG C 33.6949 0.05 1 429 45 44 GLU N N 122.4713 0.05 1 430 46 45 LEU H H 8.0430 0.02 1 431 46 45 LEU HA H 4.2457 0.02 1 432 46 45 LEU HB2 H 1.7120 0.02 1 433 46 45 LEU HB3 H 1.7120 0.02 1 434 46 45 LEU HG H 1.7144 0.02 1 435 46 45 LEU HD1 H 0.9050 0.02 1 436 46 45 LEU HD2 H 0.8392 0.02 1 437 46 45 LEU CA C 53.8506 0.05 1 438 46 45 LEU CB C 39.2495 0.05 1 439 46 45 LEU CG C 24.0185 0.05 1 440 46 45 LEU CD1 C 21.3589 0.05 1 441 46 45 LEU CD2 C 15.1575 0.05 1 442 46 45 LEU N N 121.2307 0.05 1 443 47 46 GLN H H 8.1020 0.02 1 444 47 46 GLN HA H 4.2415 0.02 1 445 47 46 GLN HB2 H 2.0970 0.02 1 446 47 46 GLN HB3 H 2.0970 0.02 1 447 47 46 GLN HG2 H 2.4130 0.02 1 448 47 46 GLN HG3 H 2.4130 0.02 1 449 47 46 GLN CA C 54.3504 0.05 1 450 47 46 GLN CB C 26.2805 0.05 1 451 47 46 GLN CG C 31.4095 0.05 1 452 47 46 GLN N N 119.3457 0.05 1 453 48 47 GLN H H 8.1830 0.02 1 454 48 47 GLN HA H 4.2800 0.02 1 455 48 47 GLN HB2 H 2.1544 0.02 1 456 48 47 GLN HB3 H 2.0539 0.02 1 457 48 47 GLN HG2 H 2.4220 0.02 1 458 48 47 GLN HG3 H 2.4220 0.02 1 459 48 47 GLN CA C 54.1564 0.05 1 460 48 47 GLN CB C 26.4907 0.05 1 461 48 47 GLN CG C 31.3425 0.05 1 462 48 47 GLN N N 119.7422 0.05 1 463 49 48 SER H H 8.2360 0.02 1 464 49 48 SER HA H 4.3390 0.02 1 465 49 48 SER HB2 H 3.9510 0.02 1 466 49 48 SER HB3 H 3.9510 0.02 1 467 49 48 SER CA C 56.7763 0.05 1 468 49 48 SER CB C 61.1429 0.05 1 469 49 48 SER N N 116.4459 0.05 1 470 50 49 GLU H H 8.4190 0.02 1 471 50 49 GLU HA H 4.1960 0.02 1 472 50 49 GLU HB2 H 2.0180 0.02 1 473 50 49 GLU HB3 H 2.0180 0.02 1 474 50 49 GLU HG2 H 2.2810 0.02 1 475 50 49 GLU HG3 H 2.2810 0.02 1 476 50 49 GLU CA C 55.0899 0.05 1 477 50 49 GLU CB C 27.2345 0.05 1 478 50 49 GLU CG C 33.7199 0.05 1 479 50 49 GLU N N 122.4690 0.05 1 480 51 50 GLN H H 8.2680 0.02 1 481 51 50 GLN HA H 4.2175 0.02 1 482 51 50 GLN HB2 H 2.0620 0.02 1 483 51 50 GLN HB3 H 2.0620 0.02 1 484 51 50 GLN HG2 H 2.4220 0.02 1 485 51 50 GLN HG3 H 2.4220 0.02 1 486 51 50 GLN CA C 54.6901 0.05 1 487 51 50 GLN CB C 26.1376 0.05 1 488 51 50 GLN CG C 31.3358 0.05 1 489 51 50 GLN N N 119.6746 0.05 1 490 52 51 SER H H 8.1190 0.02 1 491 52 51 SER HA H 4.3539 0.02 1 492 52 51 SER HB2 H 3.9308 0.02 1 493 52 51 SER HB3 H 3.9308 0.02 1 494 52 51 SER CA C 57.1494 0.05 1 495 52 51 SER CB C 60.8923 0.05 1 496 52 51 SER N N 115.4757 0.05 1 497 53 52 LYS H H 8.0160 0.02 1 498 53 52 LYS HA H 4.2573 0.02 1 499 53 52 LYS HB2 H 1.8290 0.02 1 500 53 52 LYS HB3 H 1.8290 0.02 1 501 53 52 LYS CA C 54.5023 0.05 1 502 53 52 LYS CB C 30.0701 0.05 1 503 53 52 LYS N N 122.3818 0.05 1 504 54 53 GLN H H 8.0652 0.02 1 505 54 53 GLN HA H 4.2827 0.02 1 506 54 53 GLN HB2 H 2.9067 0.02 1 507 54 53 GLN HB3 H 2.8296 0.02 1 508 54 53 GLN HG2 H 2.3880 0.02 1 509 54 53 GLN HG3 H 2.3880 0.02 1 510 54 53 GLN CA C 53.7855 0.05 1 511 54 53 GLN CB C 28.2363 0.05 1 512 54 53 GLN CG C 31.3047 0.05 1 513 54 53 GLN N N 119.8918 0.05 1 514 55 54 LYS CA C 54.1870 0.05 1 515 55 54 LYS CB C 29.6656 0.05 1 516 56 55 GLN H H 8.1610 0.02 1 517 56 55 GLN HA H 4.2724 0.02 1 518 56 55 GLN HB2 H 2.2197 0.02 1 519 56 55 GLN HB3 H 1.9347 0.02 1 520 56 55 GLN CA C 53.3757 0.05 1 521 56 55 GLN CB C 26.6447 0.05 1 522 56 55 GLN N N 120.2940 0.05 1 523 57 56 TYR H H 8.1850 0.02 1 524 57 56 TYR HA H 4.2724 0.02 1 525 57 56 TYR HB2 H 3.0918 0.02 1 526 57 56 TYR HB3 H 2.9216 0.02 1 527 57 56 TYR CA C 55.5174 0.05 1 528 57 56 TYR CB C 36.0977 0.05 1 529 57 56 TYR N N 119.3436 0.05 1 530 58 57 GLY H H 8.1960 0.02 1 531 58 57 GLY HA2 H 3.8820 0.02 1 532 58 57 GLY HA3 H 3.8820 0.02 1 533 58 57 GLY CA C 43.0814 0.05 1 534 58 57 GLY N N 110.1550 0.05 1 535 59 58 THR H H 8.0600 0.02 1 536 59 58 THR CA C 59.9320 0.05 1 537 59 58 THR CB C 67.1610 0.05 1 538 59 58 THR N N 113.5620 0.05 1 539 60 59 THR HA H 4.3763 0.02 1 540 60 59 THR HB H 4.2358 0.02 1 541 60 59 THR HG2 H 1.1906 0.02 1 542 60 59 THR CA C 62.7049 0.05 1 543 60 59 THR CB C 67.0511 0.05 1 544 60 59 THR CG2 C 25.4443 0.05 1 545 61 60 LEU H H 8.1960 0.02 1 546 61 60 LEU HA H 4.2728 0.02 1 547 61 60 LEU HB2 H 1.6570 0.02 1 548 61 60 LEU HB3 H 1.5911 0.02 1 549 61 60 LEU HG H 1.6222 0.02 1 550 61 60 LEU HD1 H 0.8300 0.02 1 551 61 60 LEU CA C 52.8426 0.05 1 552 61 60 LEU CB C 39.4459 0.05 1 553 61 60 LEU CG C 24.0787 0.05 1 554 61 60 LEU CD1 C 20.9070 0.05 1 555 61 60 LEU N N 123.7434 0.05 1 556 62 61 GLN H H 8.2370 0.02 1 557 62 61 GLN HA H 4.2481 0.02 1 558 62 61 GLN HB2 H 2.0130 0.02 1 559 62 61 GLN HB3 H 2.0130 0.02 1 560 62 61 GLN HG2 H 2.3526 0.02 1 561 62 61 GLN HG3 H 2.0772 0.02 1 562 62 61 GLN CA C 53.8545 0.05 1 563 62 61 GLN CB C 26.6401 0.05 1 564 62 61 GLN CG C 34.0293 0.05 1 565 62 61 GLN N N 120.1698 0.05 1 566 63 62 ASN H H 8.2770 0.02 1 567 63 62 ASN HA H 4.5755 0.02 1 568 63 62 ASN HB2 H 2.7270 0.02 1 569 63 62 ASN HB3 H 2.5860 0.02 1 570 63 62 ASN CA C 52.0007 0.05 1 571 63 62 ASN CB C 38.3542 0.05 1 572 63 62 ASN N N 120.9428 0.05 1 573 64 63 LEU H H 8.0600 0.02 1 574 64 63 LEU HA H 4.2484 0.02 1 575 64 63 LEU HB2 H 1.6240 0.02 1 576 64 63 LEU HB3 H 1.6240 0.02 1 577 64 63 LEU HG H 1.5886 0.02 1 578 64 63 LEU HD1 H 0.9573 0.02 1 579 64 63 LEU CA C 53.2632 0.05 1 580 64 63 LEU CB C 39.5795 0.05 1 581 64 63 LEU CG C 24.2325 0.05 1 582 64 63 LEU CD1 C 21.3813 0.05 1 583 64 63 LEU CD2 C 21.3813 0.05 1 584 64 63 LEU N N 122.4438 0.05 1 585 65 64 ALA H H 8.0700 0.02 1 586 65 64 ALA HA H 4.2486 0.02 1 587 65 64 ALA HB H 1.3870 0.02 1 588 65 64 ALA CA C 50.3965 0.05 1 589 65 64 ALA CB C 16.2650 0.05 1 590 65 64 ALA N N 123.5990 0.05 1 591 66 65 LYS H H 8.0020 0.02 1 592 66 65 LYS HA H 4.2381 0.02 1 593 66 65 LYS HB2 H 1.7819 0.02 1 594 66 65 LYS HB3 H 1.7819 0.02 1 595 66 65 LYS HG2 H 1.4270 0.02 1 596 66 65 LYS HG3 H 1.4270 0.02 1 597 66 65 LYS HD2 H 1.6550 0.02 1 598 66 65 LYS HD3 H 1.6550 0.02 1 599 66 65 LYS CA C 53.9138 0.05 1 600 66 65 LYS CB C 29.9031 0.05 1 601 66 65 LYS CD C 26.8687 0.05 1 602 66 65 LYS N N 119.3902 0.05 1 603 69 68 ARG HA H 4.3438 0.02 1 604 69 68 ARG HB2 H 2.0321 0.02 1 605 69 68 ARG HB3 H 1.9051 0.02 1 606 69 68 ARG CA C 53.6896 0.05 1 607 69 68 ARG CB C 28.0128 0.05 1 608 69 68 ARG N N 122.3328 0.05 1 609 70 69 ILE H H 8.1778 0.02 1 610 70 69 ILE HA H 4.1582 0.02 1 611 70 69 ILE HB H 1.8251 0.02 1 612 70 69 ILE HG12 H 1.4727 0.02 1 613 70 69 ILE HG13 H 1.1708 0.02 1 614 70 69 ILE HG2 H 0.8438 0.02 1 615 70 69 ILE HD1 H 0.8435 0.02 1 616 70 69 ILE CA C 58.2968 0.05 1 617 70 69 ILE CB C 35.5282 0.05 1 618 70 69 ILE CG1 C 24.3510 0.05 1 619 70 69 ILE CG2 C 20.7174 0.05 1 620 70 69 ILE CD1 C 14.7213 0.05 1 621 70 69 ILE N N 122.8034 0.05 1 622 71 70 ILE H H 8.2190 0.02 1 623 71 70 ILE HA H 4.1280 0.02 1 624 71 70 ILE HB H 1.8470 0.02 1 625 71 70 ILE HG12 H 1.4515 0.02 1 626 71 70 ILE HG13 H 1.1447 0.02 1 627 71 70 ILE HG2 H 0.7272 0.02 1 628 71 70 ILE HD1 H 0.8670 0.02 1 629 71 70 ILE CA C 58.3742 0.05 1 630 71 70 ILE CB C 35.8641 0.05 1 631 71 70 ILE CG1 C 24.5056 0.05 1 632 71 70 ILE CG2 C 21.6797 0.05 1 633 71 70 ILE CD1 C 14.7486 0.05 1 634 71 70 ILE N N 125.8328 0.05 1 635 72 71 LYS N N 119.9599 0.05 1 stop_ save_