data_5970 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Ribosomal Protein L18 from Bacillus stearothermophilus ; _BMRB_accession_number 5970 _BMRB_flat_file_name bmr5970.str _Entry_type original _Submission_date 2003-10-14 _Accession_date 2003-10-14 _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 Turner C. F. . 2 Moore P. B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 483 "13C chemical shifts" 245 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-13 original author . stop_ _Original_release_date 2004-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Solution Structure of Ribosomal Protein L18 from Bacillus stearothermophilus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14687565 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Turner C. F. . 2 Moore P. B. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 335 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 679 _Page_last 684 _Year 2004 _Details . loop_ _Keyword 'Ribosomal Protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_BstL18 _Saveframe_category molecular_system _Mol_system_name '50S Ribosomal Protein L18' _Abbreviation_common BstL18 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '50S Ribosomal Protein L18' $BstL18 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BstL18 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Bacillus stearothermophius L18' _Abbreviation_common BstL18 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MITKVDRNAVRKKRHARIRK KIFGTTERPRLSVFRSNKHI YAQIIDDTKSATIVSASTLD KEFGLDSTNNIEAAKKVGEL VAKRALEKGIKQVVFDRGGY LYHGRVKALADAAREAGLEF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 THR 4 LYS 5 VAL 6 ASP 7 ARG 8 ASN 9 ALA 10 VAL 11 ARG 12 LYS 13 LYS 14 ARG 15 HIS 16 ALA 17 ARG 18 ILE 19 ARG 20 LYS 21 LYS 22 ILE 23 PHE 24 GLY 25 THR 26 THR 27 GLU 28 ARG 29 PRO 30 ARG 31 LEU 32 SER 33 VAL 34 PHE 35 ARG 36 SER 37 ASN 38 LYS 39 HIS 40 ILE 41 TYR 42 ALA 43 GLN 44 ILE 45 ILE 46 ASP 47 ASP 48 THR 49 LYS 50 SER 51 ALA 52 THR 53 ILE 54 VAL 55 SER 56 ALA 57 SER 58 THR 59 LEU 60 ASP 61 LYS 62 GLU 63 PHE 64 GLY 65 LEU 66 ASP 67 SER 68 THR 69 ASN 70 ASN 71 ILE 72 GLU 73 ALA 74 ALA 75 LYS 76 LYS 77 VAL 78 GLY 79 GLU 80 LEU 81 VAL 82 ALA 83 LYS 84 ARG 85 ALA 86 LEU 87 GLU 88 LYS 89 GLY 90 ILE 91 LYS 92 GLN 93 VAL 94 VAL 95 PHE 96 ASP 97 ARG 98 GLY 99 GLY 100 TYR 101 LEU 102 TYR 103 HIS 104 GLY 105 ARG 106 VAL 107 LYS 108 ALA 109 LEU 110 ALA 111 ASP 112 ALA 113 ALA 114 ARG 115 GLU 116 ALA 117 GLY 118 LEU 119 GLU 120 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1OVY "Solution Structure Of Ribosomal Protein L18 From Bacillus Stearothermophilus" 100.00 120 100.00 100.00 7.37e-79 DBJ BAD74407 "50S ribosomal protein L18 [Geobacillus kaustophilus HTA426]" 100.00 120 97.50 99.17 6.91e-77 DBJ GAD13888 "50S ribosomal protein L18 [Geobacillus kaustophilus GBlys]" 100.00 120 97.50 99.17 6.91e-77 DBJ GAJ56889 "50S ribosomal protein L18 [Geobacillus thermoleovorans B23]" 100.00 120 97.50 99.17 6.91e-77 GB AAA22702 "ribosomal protein L18 [Geobacillus stearothermophilus]" 100.00 120 99.17 99.17 5.37e-78 GB ACX76823 "ribosomal protein L18 [Geobacillus sp. Y412MC61]" 100.00 120 97.50 99.17 6.91e-77 GB ADI25196 "ribosomal protein L18 [Geobacillus sp. C56-T3]" 100.00 120 97.50 99.17 6.91e-77 GB AEV17466 "50S ribosomal protein L18 [Geobacillus thermoleovorans CCB_US3_UF5]" 100.00 120 97.50 99.17 6.91e-77 GB AGE20738 "50S ribosomal protein L18 [Geobacillus sp. GHH01]" 100.00 120 97.50 99.17 6.91e-77 REF WP_011229635 "MULTISPECIES: 50S ribosomal protein L18 [Geobacillus]" 100.00 120 97.50 99.17 6.91e-77 REF WP_033008681 "50S ribosomal protein L18 [Geobacillus stearothermophilus]" 100.00 120 100.00 100.00 7.37e-79 REF YP_003251305 "50S ribosomal protein L18 [Geobacillus sp. Y412MC61]" 100.00 120 97.50 99.17 6.91e-77 REF YP_003669773 "50S ribosomal protein L18 [Geobacillus sp. C56-T3]" 100.00 120 97.50 99.17 6.91e-77 REF YP_004980566 "50S ribosomal protein L18 [Geobacillus thermoleovorans CCB_US3_UF5]" 100.00 120 97.50 99.17 6.91e-77 SP P09415 "RecName: Full=50S ribosomal protein L18; AltName: Full=BL22 [Geobacillus stearothermophilus]" 100.00 120 100.00 100.00 7.37e-79 SP Q5L3S3 "RecName: Full=50S ribosomal protein L18 [Geobacillus kaustophilus HTA426]" 100.00 120 97.50 99.17 6.91e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BstL18 'Geobacillus stearothermophilus' 1422 Eubacteria . Bacillus stearothermophilus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $BstL18 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid PET13A 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 $BstL18 1.5 mM [U-15N] 'phosphate buffer' 20 mM . NaCl 200 mM . MgCl2 5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BstL18 1.5 mM '[U-15N; U-13C]' 'phosphate buffer' 20 mM . NaCl 200 mM . MgCl2 5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BstL18 1 mM . 'phosphate buffer' 20 mM . NaCl 200 mM . MgCl2 5 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97.0 loop_ _Task processing stop_ _Details Biosym/MSI save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.93 loop_ _Task 'data analysis' stop_ _Details 'Goddard, T.D. & Kneller, D.G.' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task 'structure solution' refinement stop_ _Details 'Brunger, A.T. et al.' save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Task 'structure solution' refinement stop_ _Details 'Linge, J.P. & Nilges, M.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N_TOCSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY-HSQC' _Sample_label . save_ save_15N_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label . save_ save_2D_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_13C_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 na temperature 298 0.1 K 'ionic strength' 225 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' HNCA HNCACB HNCO HNCACO HCCH-TOCSY '15N TOCSY-HSQC' '15N NOESY-HSQC' '2D NOESY' '13C NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name '50S Ribosomal Protein L18' _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 ILE CB C 37.567 0.30 1 2 . 3 THR CA C 60.745 0.30 1 3 . 3 THR CB C 68.639 0.30 1 4 . 3 THR HA H 4.266 0.03 1 5 . 3 THR HB H 4.641 0.03 1 6 . 3 THR HG1 H 3.041 0.03 1 7 . 3 THR HG2 H 1.112 0.03 1 8 . 3 THR H H 8.299 0.03 1 9 . 3 THR N N 121.198 0.30 1 10 . 4 LYS CA C 55.21 0.30 1 11 . 4 LYS CB C 31.959 0.30 1 12 . 4 LYS HA H 4.288 0.03 1 13 . 4 LYS HB2 H 1.688 0.03 1 14 . 4 LYS HD2 H 1.322 0.03 1 15 . 4 LYS H H 8.453 0.03 1 16 . 4 LYS N N 126.636 0.30 1 17 . 5 VAL CA C 60.977 0.30 1 18 . 5 VAL CB C 31.796 0.30 1 19 . 5 VAL HA H 3.985 0.03 1 20 . 5 VAL HB H 1.929 0.03 1 21 . 5 VAL H H 8.098 0.03 1 22 . 5 VAL N N 123.211 0.30 1 23 . 6 ASP CA C 52.664 0.30 1 24 . 6 ASP CB C 40.085 0.30 1 25 . 6 ASP HA H 4.62 0.03 1 26 . 6 ASP HB2 H 2.613 0.03 2 27 . 6 ASP HB3 H 2.542 0.03 2 28 . 6 ASP H H 8.305 0.03 1 29 . 6 ASP N N 125.997 0.30 1 30 . 7 ARG CA C 55.852 0.30 1 31 . 7 ARG CB C 29.034 0.30 1 32 . 7 ARG HA H 4.124 0.03 1 33 . 7 ARG HB2 H 1.722 0.03 1 34 . 7 ARG HD2 H 3.09 0.03 1 35 . 7 ARG HG2 H 1.584 0.03 1 36 . 7 ARG H H 8.388 0.03 1 37 . 7 ARG N N 124.174 0.30 1 38 . 8 ASN CA C 52.534 0.30 1 39 . 8 ASN CB C 37.614 0.30 1 40 . 8 ASN HA H 4.65 0.03 1 41 . 8 ASN HB2 H 2.739 0.03 1 42 . 8 ASN HD21 H 7.627 0.03 2 43 . 8 ASN HD22 H 6.85 0.03 2 44 . 8 ASN H H 8.37 0.03 1 45 . 8 ASN N N 119.245 0.30 1 46 . 8 ASN ND2 N 114.648 0.30 1 47 . 9 ALA CA C 51.83 0.30 1 48 . 9 ALA CB C 17.937 0.30 1 49 . 9 ALA H H 7.835 0.03 1 50 . 9 ALA N N 124.792 0.30 1 51 . 10 VAL CA C 61.668 0.30 1 52 . 10 VAL CB C 31.224 0.30 1 53 . 10 VAL HA H 4.171 0.03 1 54 . 10 VAL HB H 1.991 0.03 1 55 . 10 VAL HG2 H 0.85 0.03 2 56 . 10 VAL H H 7.837 0.03 1 57 . 10 VAL N N 119.691 0.30 1 58 . 11 ARG CA C 55.14 0.30 1 59 . 11 ARG CB C 29.476 0.30 1 60 . 11 ARG HA H 4.2 0.03 1 61 . 11 ARG HB2 H 1.71 0.03 2 62 . 11 ARG HD2 H 3.125 0.03 2 63 . 11 ARG HD3 H 3.92 0.03 2 64 . 11 ARG H H 8.123 0.03 1 65 . 11 ARG N N 125.226 0.30 1 66 . 15 HIS CA C 54.464 0.30 1 67 . 15 HIS CB C 28.78 0.30 1 68 . 15 HIS HA H 4.547 0.03 1 69 . 15 HIS H H 8.333 0.03 1 70 . 15 HIS N N 121.431 0.30 1 71 . 16 ALA CA C 51.243 0.30 1 72 . 16 ALA CB C 18.298 0.30 1 73 . 16 ALA HA H 4.229 0.03 1 74 . 16 ALA HB H 1.292 0.03 1 75 . 16 ALA H H 8.194 0.03 1 76 . 16 ALA N N 126.505 0.30 1 77 . 17 ARG CA C 54.889 0.30 1 78 . 17 ARG CB C 29.547 0.30 1 79 . 17 ARG H H 8.285 0.03 1 80 . 17 ARG N N 122.029 0.30 1 81 . 18 ILE CA C 59.7 0.30 1 82 . 18 ILE CB C 37.493 0.30 1 83 . 18 ILE HA H 4.191 0.03 1 84 . 18 ILE HB H 1.704 0.03 1 85 . 18 ILE HG13 H 1.366 0.03 2 86 . 18 ILE H H 8.083 0.03 1 87 . 18 ILE N N 123.882 0.30 1 88 . 19 ARG CA C 54.603 0.30 1 89 . 19 ARG CB C 29.739 0.30 1 90 . 19 ARG HA H 4.101 0.03 1 91 . 19 ARG HB2 H 1.665 0.03 2 92 . 19 ARG HD2 H 3.016 0.03 2 93 . 19 ARG HG2 H 1.454 0.03 2 94 . 19 ARG H H 8.286 0.03 1 95 . 19 ARG N N 127.101 0.30 1 96 . 20 LYS CA C 54.917 0.30 1 97 . 20 LYS CB C 32.085 0.30 1 98 . 20 LYS HA H 4.223 0.03 1 99 . 20 LYS H H 8.177 0.03 1 100 . 20 LYS N N 124.658 0.30 1 101 . 21 LYS CA C 55.366 0.30 1 102 . 21 LYS CB C 31.965 0.30 1 103 . 21 LYS HA H 4.184 0.03 1 104 . 21 LYS H H 8.146 0.03 1 105 . 21 LYS N N 123.233 0.30 1 106 . 22 ILE CA C 59.236 0.30 1 107 . 22 ILE CB C 36.538 0.30 1 108 . 22 ILE HA H 4.137 0.03 1 109 . 22 ILE HB H 1.638 0.03 1 110 . 22 ILE HG12 H 1.139 0.03 2 111 . 22 ILE HG13 H 1.423 0.03 2 112 . 22 ILE HG2 H 0.714 0.03 1 113 . 22 ILE H H 8.036 0.03 1 114 . 22 ILE N N 123.792 0.30 1 115 . 23 PHE CA C 56.059 0.30 1 116 . 23 PHE CB C 40.898 0.30 1 117 . 23 PHE HA H 4.625 0.03 1 118 . 23 PHE HB2 H 2.978 0.03 2 119 . 23 PHE HB3 H 2.711 0.03 2 120 . 23 PHE HD1 H 6.989 0.03 1 121 . 23 PHE HE1 H 7.114 0.03 1 122 . 23 PHE H H 8.237 0.03 1 123 . 23 PHE N N 128.248 0.30 1 124 . 24 GLY CA C 44.641 0.30 1 125 . 24 GLY HA2 H 4.385 0.03 1 126 . 24 GLY HA3 H 3.653 0.03 1 127 . 24 GLY H H 10.641 0.03 1 128 . 24 GLY N N 117.841 0.30 1 129 . 25 THR CA C 58.514 0.30 1 130 . 25 THR CB C 69.976 0.30 1 131 . 25 THR HA H 4.681 0.03 1 132 . 25 THR HG2 H 1.261 0.03 1 133 . 25 THR H H 7.786 0.03 1 134 . 25 THR N N 118.362 0.30 1 135 . 26 THR CA C 64.42 0.30 1 136 . 26 THR CB C 67.43 0.30 1 137 . 26 THR HA H 3.772 0.03 1 138 . 26 THR HB H 3.778 0.03 1 139 . 26 THR HG2 H 1.223 0.03 1 140 . 26 THR H H 7.772 0.03 1 141 . 26 THR N N 115.457 0.30 1 142 . 27 GLU CA C 56.838 0.30 1 143 . 27 GLU CB C 28.599 0.30 1 144 . 27 GLU HA H 4.054 0.03 1 145 . 27 GLU HB2 H 1.889 0.03 1 146 . 27 GLU HG2 H 2.185 0.03 1 147 . 27 GLU H H 8.082 0.03 1 148 . 27 GLU N N 117.622 0.30 1 149 . 28 ARG CA C 52.381 0.30 1 150 . 28 ARG CB C 29.68 0.30 1 151 . 28 ARG HA H 4.703 0.03 1 152 . 28 ARG HB2 H 1.66 0.03 1 153 . 28 ARG H H 7.454 0.03 1 154 . 28 ARG N N 121.006 0.30 1 155 . 29 PRO CA C 62.51 0.30 1 156 . 29 PRO CB C 31.376 0.30 1 157 . 29 PRO HA H 4.722 0.03 1 158 . 29 PRO HB2 H 1.965 0.03 1 159 . 30 ARG CA C 53.329 0.30 1 160 . 30 ARG CB C 33.406 0.30 1 161 . 30 ARG HA H 4.914 0.03 1 162 . 30 ARG HB2 H 2.004 0.03 2 163 . 30 ARG HB3 H 1.142 0.03 2 164 . 30 ARG HD2 H 3.585 0.03 1 165 . 30 ARG H H 8.795 0.03 1 166 . 30 ARG N N 120.076 0.30 1 167 . 31 LEU CA C 52.435 0.30 1 168 . 31 LEU CB C 41.837 0.30 1 169 . 31 LEU CD1 C 12.379 0.30 1 170 . 31 LEU CD2 C 24.095 0.30 1 171 . 31 LEU HA H 4.96 0.03 1 172 . 31 LEU HB2 H 1.467 0.03 2 173 . 31 LEU HB3 H 0.796 0.03 2 174 . 31 LEU HD1 H 0.55 0.03 2 175 . 31 LEU HD2 H 0.105 0.03 2 176 . 31 LEU HG H 1.213 0.03 1 177 . 31 LEU H H 8.931 0.03 1 178 . 31 LEU N N 130.403 0.30 1 179 . 32 SER CA C 54.904 0.30 1 180 . 32 SER CB C 64.512 0.30 1 181 . 32 SER HA H 5.065 0.03 1 182 . 32 SER HB2 H 3.605 0.03 1 183 . 32 SER HG H 5.206 0.03 1 184 . 32 SER H H 9.286 0.03 1 185 . 32 SER N N 123.556 0.30 1 186 . 33 VAL CA C 58.46 0.30 1 187 . 33 VAL CB C 34.048 0.30 1 188 . 33 VAL CG1 C 20.839 0.30 1 189 . 33 VAL HA H 5.144 0.03 1 190 . 33 VAL HB H 1.912 0.03 1 191 . 33 VAL HG1 H 0.894 0.03 2 192 . 33 VAL HG2 H 0.936 0.03 2 193 . 33 VAL H H 7.856 0.03 1 194 . 33 VAL N N 122.577 0.30 1 195 . 34 PHE CA C 55.509 0.30 1 196 . 34 PHE CB C 40.421 0.30 1 197 . 34 PHE HA H 4.898 0.03 1 198 . 34 PHE HB2 H 2.874 0.03 2 199 . 34 PHE HB3 H 2.946 0.03 2 200 . 34 PHE HD1 H 6.845 0.03 1 201 . 34 PHE H H 8.669 0.03 1 202 . 34 PHE N N 123.904 0.30 1 203 . 35 ARG CA C 53.133 0.30 1 204 . 35 ARG CB C 32.117 0.30 1 205 . 35 ARG HA H 4.929 0.03 1 206 . 35 ARG HE H 6.869 0.03 1 207 . 35 ARG H H 7.934 0.03 1 208 . 35 ARG N N 123.066 0.30 1 209 . 36 SER CA C 55.268 0.30 1 210 . 36 SER CB C 64.766 0.30 1 211 . 36 SER HA H 4.696 0.03 1 212 . 36 SER HB2 H 4.25 0.03 2 213 . 36 SER HB3 H 3.836 0.03 2 214 . 36 SER HG H 5.003 0.03 1 215 . 36 SER H H 8.615 0.03 1 216 . 36 SER N N 119.964 0.30 1 217 . 37 ASN CA C 54.752 0.30 1 218 . 37 ASN CB C 36.543 0.30 1 219 . 37 ASN HA H 3.839 0.03 1 220 . 37 ASN HB2 H 2.506 0.03 2 221 . 37 ASN HB3 H 3.175 0.03 2 222 . 37 ASN HD21 H 7.572 0.03 2 223 . 37 ASN HD22 H 6.921 0.03 2 224 . 37 ASN ND2 N 114.015 0.30 1 225 . 38 LYS CA C 55.756 0.30 1 226 . 38 LYS CB C 32.977 0.30 1 227 . 38 LYS HA H 3.97 0.03 1 228 . 38 LYS HB2 H 1.353 0.03 2 229 . 38 LYS HB3 H 1.503 0.03 2 230 . 38 LYS HE2 H 2.827 0.03 1 231 . 38 LYS HG2 H 1.485 0.03 1 232 . 38 LYS H H 8.031 0.03 1 233 . 38 LYS N N 115.93 0.30 1 234 . 39 HIS CA C 54.557 0.30 1 235 . 39 HIS CB C 35.065 0.30 1 236 . 39 HIS HA H 4.768 0.03 1 237 . 39 HIS HB2 H 2.651 0.03 2 238 . 39 HIS HB3 H 2.308 0.03 2 239 . 39 HIS HD1 H 6.853 0.03 1 240 . 39 HIS HE1 H 8.002 0.03 1 241 . 39 HIS H H 7.579 0.03 1 242 . 39 HIS N N 118.177 0.30 1 243 . 40 ILE CA C 60.137 0.30 1 244 . 40 ILE CB C 40.809 0.30 1 245 . 40 ILE HA H 4.671 0.03 1 246 . 40 ILE HD1 H 0.571 0.03 1 247 . 40 ILE HG12 H 1.402 0.03 2 248 . 40 ILE HG13 H 1.676 0.03 2 249 . 40 ILE HG2 H 0.795 0.03 1 250 . 40 ILE H H 8.011 0.03 1 251 . 40 ILE N N 120.404 0.30 1 252 . 41 TYR CA C 55.37 0.30 1 253 . 41 TYR CB C 40.416 0.30 1 254 . 41 TYR HA H 4.684 0.03 1 255 . 41 TYR HB2 H 2.717 0.03 2 256 . 41 TYR HB3 H 2.193 0.03 2 257 . 41 TYR HD1 H 6.919 0.03 1 258 . 41 TYR HE1 H 6.541 0.03 1 259 . 41 TYR H H 8.592 0.03 1 260 . 41 TYR N N 124.059 0.30 1 261 . 42 ALA CA C 49.022 0.30 1 262 . 42 ALA CB C 21.831 0.30 1 263 . 42 ALA HA H 5.416 0.03 1 264 . 42 ALA HB H 1.124 0.03 1 265 . 42 ALA H H 8.963 0.03 1 266 . 42 ALA N N 122.269 0.30 1 267 . 43 GLN CA C 53.03 0.30 1 268 . 43 GLN CB C 31.825 0.30 1 269 . 43 GLN CG C 32.525 0.30 1 270 . 43 GLN HA H 4.913 0.03 1 271 . 43 GLN HB2 H 2.258 0.03 2 272 . 43 GLN HB3 H 1.933 0.03 2 273 . 43 GLN H H 8.886 0.03 1 274 . 43 GLN N N 119.073 0.30 1 275 . 44 ILE CA C 58.273 0.30 1 276 . 44 ILE CB C 36.701 0.30 1 277 . 44 ILE CD1 C 16.922 0.30 1 278 . 44 ILE CG1 C 27.322 0.30 1 279 . 44 ILE CG2 C 17.409 0.30 1 280 . 44 ILE HA H 5.188 0.03 1 281 . 44 ILE HB H 1.556 0.03 1 282 . 44 ILE HD1 H 0.927 0.03 1 283 . 44 ILE HG12 H 1.267 0.03 2 284 . 44 ILE HG13 H 0.688 0.03 2 285 . 44 ILE HG2 H 0.649 0.03 1 286 . 44 ILE H H 8.535 0.03 1 287 . 44 ILE N N 122.227 0.30 1 288 . 45 ILE CA C 59.586 0.30 1 289 . 45 ILE CB C 41.906 0.30 1 290 . 45 ILE CD1 C 15.62 0.30 1 291 . 45 ILE CG2 C 12.731 0.30 1 292 . 45 ILE HA H 4.568 0.03 1 293 . 45 ILE HB H 1.432 0.03 1 294 . 45 ILE HD1 H 0.507 0.03 1 295 . 45 ILE HG12 H 1.263 0.03 2 296 . 45 ILE HG13 H 0.668 0.03 2 297 . 45 ILE HG2 H 0.694 0.03 1 298 . 45 ILE H H 9.69 0.03 1 299 . 45 ILE N N 130.403 0.30 1 300 . 46 ASP CA C 50.405 0.30 1 301 . 46 ASP CB C 39.787 0.30 1 302 . 46 ASP HA H 4.309 0.03 1 303 . 46 ASP HB2 H 2.776 0.03 2 304 . 46 ASP HB3 H 2.324 0.03 2 305 . 46 ASP H H 8.638 0.03 1 306 . 46 ASP N N 126.255 0.30 1 307 . 47 ASP CA C 56.145 0.30 1 308 . 47 ASP CB C 39.803 0.30 1 309 . 47 ASP HA H 4.318 0.03 1 310 . 47 ASP HB2 H 2.22 0.03 2 311 . 47 ASP HB3 H 2.139 0.03 2 312 . 47 ASP H H 8.059 0.03 1 313 . 47 ASP N N 126.237 0.30 1 314 . 48 THR CA C 63.685 0.30 1 315 . 48 THR CB C 67.397 0.30 1 316 . 48 THR CG2 C 21.516 0.30 1 317 . 48 THR HA H 4.232 0.03 1 318 . 48 THR HB H 4.305 0.03 1 319 . 48 THR HG1 H 4.656 0.03 1 320 . 48 THR HG2 H 1.438 0.03 1 321 . 48 THR H H 8.442 0.03 1 322 . 48 THR N N 115.435 0.30 1 323 . 49 LYS CA C 54.058 0.30 1 324 . 49 LYS CB C 32.954 0.30 1 325 . 49 LYS HA H 4.369 0.03 1 326 . 49 LYS HB2 H 1.885 0.03 2 327 . 49 LYS HB3 H 1.191 0.03 2 328 . 49 LYS HG2 H 1.474 0.03 1 329 . 49 LYS H H 6.662 0.03 1 330 . 49 LYS N N 119.952 0.30 1 331 . 50 SER CA C 56.998 0.30 1 332 . 50 SER CB C 60.276 0.30 1 333 . 50 SER HA H 3.897 0.03 1 334 . 50 SER HB2 H 3.915 0.03 2 335 . 50 SER HB3 H 3.841 0.03 2 336 . 50 SER H H 7.533 0.30 1 337 . 50 SER N N 116.038 0.30 1 338 . 51 ALA CA C 49.149 0.30 1 339 . 51 ALA CB C 21.407 0.30 1 340 . 51 ALA HA H 4.68 0.03 1 341 . 51 ALA HB H 1.115 0.03 1 342 . 51 ALA H H 7.593 0.03 1 343 . 51 ALA N N 120.797 0.30 1 344 . 52 THR CA C 61.888 0.30 1 345 . 52 THR CB C 67.042 0.30 1 346 . 52 THR HA H 4.202 0.03 1 347 . 52 THR HB H 3.904 0.03 1 348 . 52 THR HG2 H 0.773 0.03 1 349 . 52 THR H H 8.813 0.03 1 350 . 52 THR N N 122.262 0.30 1 351 . 53 ILE CA C 61.895 0.30 1 352 . 53 ILE CB C 38.01 0.30 1 353 . 53 ILE HA H 3.921 0.03 1 354 . 53 ILE HB H 1.52 0.03 1 355 . 53 ILE HD1 H 0.716 0.03 1 356 . 53 ILE HG12 H 0.864 0.03 2 357 . 53 ILE HG13 H 1.134 0.03 2 358 . 53 ILE HG2 H 0.971 0.03 1 359 . 53 ILE H H 9.363 0.03 1 360 . 53 ILE N N 129.973 0.30 1 361 . 54 VAL CA C 58.41 0.30 1 362 . 54 VAL CB C 35.776 0.30 1 363 . 54 VAL CG2 C 19.012 0.30 1 364 . 54 VAL HA H 4.57 0.03 1 365 . 54 VAL HB H 1.835 0.03 1 366 . 54 VAL HG1 H 0.912 0.03 2 367 . 54 VAL HG2 H 0.642 0.03 2 368 . 54 VAL H H 7.142 0.03 1 369 . 54 VAL N N 111.163 0.30 1 370 . 55 SER CA C 56.279 0.30 1 371 . 55 SER CB C 65.165 0.30 1 372 . 55 SER HA H 5.08 0.03 1 373 . 55 SER HB2 H 3.781 0.03 2 374 . 55 SER HB3 H 3.9 0.03 2 375 . 55 SER H H 8.482 0.03 1 376 . 55 SER N N 116.585 0.30 1 377 . 56 ALA CA C 50.88 0.30 1 378 . 56 ALA CB C 23.211 0.30 1 379 . 56 ALA HA H 4.725 0.03 1 380 . 56 ALA HB H 1.319 0.03 1 381 . 56 ALA H H 8.985 0.03 1 382 . 56 ALA N N 121.829 0.30 1 383 . 57 SER CA C 56.516 0.30 1 384 . 57 SER CB C 67.156 0.30 1 385 . 57 SER HA H 5.081 0.03 1 386 . 57 SER HB2 H 3.946 0.03 2 387 . 57 SER HB3 H 3.347 0.03 2 388 . 57 SER HG H 3.762 0.03 1 389 . 57 SER H H 8.054 0.03 1 390 . 57 SER N N 113.739 0.30 1 391 . 58 THR CA C 61.295 0.30 1 392 . 58 THR CB C 65.244 0.30 1 393 . 58 THR HA H 2.782 0.03 1 394 . 58 THR HB H 3.98 0.03 1 395 . 58 THR HG1 H 0.699 0.03 1 396 . 58 THR HG2 H 0.847 0.03 1 397 . 58 THR H H 7.625 0.03 1 398 . 58 THR N N 109.16 0.30 1 399 . 59 LEU CA C 53.506 0.30 1 400 . 59 LEU CB C 41.292 0.30 1 401 . 59 LEU CD2 C 24.147 0.30 1 402 . 59 LEU HA H 4.103 0.03 1 403 . 59 LEU HB2 H 1.359 0.03 2 404 . 59 LEU HB3 H 1.092 0.03 2 405 . 59 LEU HD1 H 0.66 0.03 2 406 . 59 LEU HD2 H 0.384 0.03 2 407 . 59 LEU H H 7.579 0.03 1 408 . 59 LEU N N 119.955 0.30 1 409 . 60 ASP CA C 53.885 0.30 1 410 . 60 ASP CB C 41.031 0.30 1 411 . 60 ASP HA H 4.341 0.03 1 412 . 60 ASP HB2 H 2.889 0.03 1 413 . 60 ASP H H 7.181 0.03 1 414 . 60 ASP N N 123.243 0.30 1 415 . 61 LYS CA C 57.614 0.30 1 416 . 61 LYS CB C 30.844 0.30 1 417 . 61 LYS HA H 4.082 0.03 1 418 . 61 LYS HB2 H 1.82 0.03 1 419 . 61 LYS HE2 H 2.882 0.03 1 420 . 61 LYS H H 8.853 0.03 1 421 . 61 LYS N N 126.104 0.30 1 422 . 62 GLU CA C 56.26 0.30 1 423 . 62 GLU CB C 28.172 0.30 1 424 . 62 GLU HA H 4.065 0.03 1 425 . 62 GLU HB2 H 1.712 0.03 2 426 . 62 GLU HB3 H 1.943 0.03 2 427 . 62 GLU HG2 H 2.154 0.03 1 428 . 62 GLU H H 9.07 0.03 1 429 . 62 GLU N N 118.118 0.30 1 430 . 63 PHE CA C 59.091 0.30 1 431 . 63 PHE CB C 37.994 0.30 1 432 . 63 PHE HA H 4.086 0.03 1 433 . 63 PHE HB2 H 3.205 0.03 2 434 . 63 PHE HB3 H 2.954 0.03 2 435 . 63 PHE HD1 H 7.099 0.03 1 436 . 63 PHE HE1 H 7.4 0.03 1 437 . 63 PHE H H 7.802 0.03 1 438 . 63 PHE N N 120.853 0.30 1 439 . 64 GLY CA C 44.952 0.30 1 440 . 64 GLY HA2 H 4.073 0.03 1 441 . 64 GLY HA3 H 3.64 0.03 1 442 . 64 GLY H H 8.116 0.03 1 443 . 64 GLY N N 108.954 0.30 1 444 . 65 LEU CA C 52.912 0.30 1 445 . 65 LEU CB C 41.017 0.30 1 446 . 66 ASP CA C 53.858 0.30 1 447 . 66 ASP CB C 40.047 0.30 1 448 . 66 ASP HA H 4.46 0.03 1 449 . 66 ASP HB2 H 2.639 0.03 1 450 . 66 ASP H H 8.236 0.03 1 451 . 66 ASP N N 119.924 0.30 1 452 . 67 SER CA C 56.56 0.30 1 453 . 67 SER CB C 63.02 0.30 1 454 . 67 SER HA H 4.613 0.03 1 455 . 67 SER HB2 H 3.757 0.03 2 456 . 67 SER HB3 H 3.715 0.03 2 457 . 67 SER H H 7.672 0.03 1 458 . 67 SER N N 114.319 0.30 1 459 . 68 THR CA C 60.841 0.30 1 460 . 68 THR CB C 68.437 0.30 1 461 . 68 THR HA H 4.318 0.03 1 462 . 68 THR HB H 4.049 0.03 1 463 . 68 THR HG2 H 1.111 0.03 1 464 . 68 THR H H 8.208 0.03 1 465 . 68 THR N N 112.362 0.30 1 466 . 69 ASN CA C 51.207 0.30 1 467 . 69 ASN CB C 37.63 0.30 1 468 . 69 ASN HA H 4.556 0.03 1 469 . 69 ASN HB2 H 2.515 0.03 2 470 . 69 ASN HB3 H 2.775 0.03 2 471 . 69 ASN HD21 H 7.361 0.03 2 472 . 69 ASN HD22 H 6.727 0.03 2 473 . 69 ASN H H 7.884 0.03 1 474 . 69 ASN N N 118.753 0.30 1 475 . 69 ASN ND2 N 112.287 0.30 1 476 . 70 ASN CA C 50.243 0.30 1 477 . 70 ASN CB C 38.415 0.30 1 478 . 70 ASN HA H 4.635 0.03 1 479 . 70 ASN HD21 H 7.529 0.03 2 480 . 70 ASN HD22 H 6.874 0.03 2 481 . 70 ASN H H 7.304 0.03 1 482 . 70 ASN N N 118.078 0.30 1 483 . 70 ASN ND2 N 112.201 0.30 1 484 . 71 ILE CA C 62.85 0.30 1 485 . 71 ILE CB C 35.234 0.30 1 486 . 71 ILE CD1 C 9.842 0.30 1 487 . 71 ILE CG2 C 15.807 0.30 1 488 . 71 ILE HA H 3.547 0.03 1 489 . 71 ILE HB H 1.876 0.03 1 490 . 71 ILE HD1 H 0.6 0.03 1 491 . 71 ILE HG12 H 1.453 0.03 2 492 . 71 ILE HG13 H 1.211 0.03 2 493 . 71 ILE HG2 H 0.698 0.03 1 494 . 71 ILE H H 8.124 0.30 1 495 . 71 ILE N N 121.965 0.30 1 496 . 72 GLU CA C 58.828 0.30 1 497 . 72 GLU CB C 27.468 0.30 1 498 . 72 GLU HA H 3.738 0.03 1 499 . 72 GLU HB2 H 1.873 0.03 1 500 . 72 GLU HG2 H 2.27 0.03 1 501 . 72 GLU H H 8.252 0.03 1 502 . 72 GLU N N 121.634 0.30 1 503 . 73 ALA CA C 53.805 0.30 1 504 . 73 ALA CB C 17.968 0.30 1 505 . 73 ALA HA H 4.383 0.03 1 506 . 73 ALA HB H 1.514 0.03 1 507 . 73 ALA H H 7.986 0.03 1 508 . 73 ALA N N 122.242 0.30 1 509 . 74 ALA CA C 54.097 0.30 1 510 . 74 ALA CB C 18.092 0.30 1 511 . 74 ALA HA H 3.716 0.03 1 512 . 74 ALA HB H 1.504 0.03 1 513 . 74 ALA H H 7.281 0.03 1 514 . 74 ALA N N 120.549 0.30 1 515 . 75 LYS CA C 58.558 0.30 1 516 . 75 LYS CB C 31.319 0.30 1 517 . 75 LYS HA H 3.719 0.03 1 518 . 75 LYS HB2 H 1.786 0.03 1 519 . 75 LYS HG2 H 1.55 0.03 2 520 . 75 LYS HG3 H 1.26 0.03 2 521 . 75 LYS H H 8.104 0.03 1 522 . 75 LYS N N 117.868 0.30 1 523 . 76 LYS CA C 56.883 0.30 1 524 . 76 LYS CB C 29.794 0.30 1 525 . 76 LYS HA H 4.161 0.03 1 526 . 76 LYS HB2 H 2.077 0.03 2 527 . 76 LYS HB3 H 1.844 0.03 2 528 . 76 LYS HD2 H 1.423 0.03 1 529 . 76 LYS H H 7.674 0.03 1 530 . 76 LYS N N 119.747 0.30 1 531 . 77 VAL CA C 66.453 0.30 1 532 . 77 VAL CB C 29.777 0.30 1 533 . 77 VAL HA H 3.391 0.03 1 534 . 77 VAL HB H 1.951 0.03 1 535 . 77 VAL HG1 H 0.82 0.03 2 536 . 77 VAL HG2 H 0.627 0.03 2 537 . 77 VAL H H 8.027 0.03 1 538 . 77 VAL N N 120.087 0.30 1 539 . 78 GLY CA C 46.371 0.30 1 540 . 78 GLY HA2 H 4.083 0.03 1 541 . 78 GLY HA3 H 3.461 0.03 1 542 . 78 GLY H H 8.11 0.03 1 543 . 78 GLY N N 108.797 0.30 1 544 . 79 GLU CA C 58.744 0.30 1 545 . 79 GLU CB C 28.365 0.30 1 546 . 79 GLU HA H 3.663 0.03 1 547 . 79 GLU HB2 H 2.067 0.03 1 548 . 79 GLU H H 8.224 0.03 1 549 . 79 GLU N N 122.135 0.30 1 550 . 80 LEU CA C 56.566 0.30 1 551 . 80 LEU CB C 42.076 0.30 1 552 . 80 LEU HA H 4.005 0.03 1 553 . 80 LEU HB2 H 1.788 0.03 1 554 . 80 LEU HB3 H 1.275 0.03 1 555 . 80 LEU HD1 H 0.811 0.03 1 556 . 80 LEU H H 8.328 0.03 1 557 . 80 LEU N N 120.142 0.30 1 558 . 81 VAL CA C 64.298 0.30 1 559 . 81 VAL CB C 29.422 0.30 1 560 . 81 VAL CG2 C 18.679 0.30 1 561 . 81 VAL HA H 3.555 0.03 1 562 . 81 VAL HB H 1.886 0.03 1 563 . 81 VAL HG1 H 0.676 0.03 2 564 . 81 VAL HG2 H 0.88 0.03 2 565 . 81 VAL H H 8.642 0.03 1 566 . 81 VAL N N 119.544 0.30 1 567 . 82 ALA CA C 53.956 0.30 1 568 . 82 ALA CB C 19.421 0.30 1 569 . 82 ALA HA H 3.914 0.03 1 570 . 82 ALA HB H 1.472 0.03 1 571 . 82 ALA H H 7.462 0.03 1 572 . 82 ALA N N 124.234 0.30 1 573 . 83 LYS CA C 58.877 0.30 1 574 . 83 LYS CB C 31.041 0.30 1 575 . 83 LYS HA H 3.873 0.03 1 576 . 83 LYS HB2 H 1.939 0.03 1 577 . 83 LYS HG2 H 1.488 0.03 1 578 . 83 LYS H H 8.337 0.03 1 579 . 83 LYS N N 118.554 0.30 1 580 . 84 ARG CA C 57.974 0.30 1 581 . 84 ARG CB C 29.218 0.30 1 582 . 84 ARG HA H 3.986 0.03 1 583 . 84 ARG HD2 H 1.899 0.03 2 584 . 84 ARG HG2 H 1.649 0.03 2 585 . 84 ARG H H 8.086 0.03 1 586 . 84 ARG N N 118.52 0.30 1 587 . 85 ALA CA C 54.331 0.30 1 588 . 85 ALA CB C 16.764 0.30 1 589 . 85 ALA HA H 4.18 0.03 1 590 . 85 ALA HB H 1.386 0.03 1 591 . 85 ALA H H 8.216 0.03 1 592 . 85 ALA N N 124.276 0.30 1 593 . 86 LEU CA C 57.181 0.30 1 594 . 86 LEU CB C 40.116 0.30 1 595 . 86 LEU CD1 C 24.184 0.30 1 596 . 86 LEU HA H 4.022 0.03 1 597 . 86 LEU HB2 H 1.793 0.03 2 598 . 86 LEU HB3 H 1.393 0.03 2 599 . 86 LEU HD1 H 0.79 0.03 2 600 . 86 LEU HD2 H 0.799 0.03 2 601 . 86 LEU H H 8.808 0.03 1 602 . 86 LEU N N 121.844 0.30 1 603 . 87 GLU CA C 57.6 0.30 1 604 . 87 GLU CB C 28.388 0.30 1 605 . 87 GLU CG C 35.178 0.30 1 606 . 87 GLU HA H 4.042 0.03 1 607 . 87 GLU HB2 H 2.106 0.03 2 608 . 87 GLU HG2 H 2.432 0.03 2 609 . 87 GLU HG3 H 2.292 0.03 2 610 . 87 GLU H H 7.69 0.03 1 611 . 87 GLU N N 120.636 0.30 1 612 . 88 LYS CA C 54.156 0.30 1 613 . 88 LYS CB C 31.572 0.30 1 614 . 88 LYS HA H 4.341 0.03 1 615 . 88 LYS HB2 H 2.067 0.03 2 616 . 88 LYS HB3 H 2.851 0.03 2 617 . 88 LYS HD2 H 1.753 0.03 2 618 . 88 LYS HD3 H 1.465 0.03 2 619 . 88 LYS H H 7.269 0.03 1 620 . 88 LYS N N 118.105 0.30 1 621 . 89 GLY CA C 44.411 0.30 1 622 . 89 GLY HA2 H 4.076 0.03 1 623 . 89 GLY HA3 H 3.628 0.03 1 624 . 89 GLY H H 7.787 0.03 1 625 . 89 GLY N N 108.12 0.30 1 626 . 90 ILE CA C 59.533 0.30 1 627 . 90 ILE CB C 36.651 0.30 1 628 . 90 ILE HA H 4.038 0.03 1 629 . 90 ILE HB H 1.635 0.03 1 630 . 90 ILE HG2 H 1.215 0.03 1 631 . 90 ILE H H 7.841 0.03 1 632 . 90 ILE N N 124.725 0.30 1 633 . 91 LYS CA C 55.565 0.30 1 634 . 91 LYS CB C 34.234 0.30 1 635 . 91 LYS HA H 4.44 0.03 1 636 . 91 LYS HB2 H 1.782 0.03 2 637 . 91 LYS HB3 H 1.589 0.03 2 638 . 91 LYS HE2 H 2.898 0.03 2 639 . 91 LYS HG2 H 1.287 0.03 2 640 . 91 LYS HG3 H 1.369 0.03 2 641 . 91 LYS H H 8.14 0.03 1 642 . 91 LYS N N 124.19 0.30 1 643 . 92 GLN CA C 53.797 0.30 1 644 . 92 GLN CB C 29.072 0.30 1 645 . 92 GLN CG C 32.593 0.30 1 646 . 92 GLN HA H 5.248 0.03 1 647 . 92 GLN HB2 H 2.022 0.03 2 648 . 92 GLN HB3 H 1.958 0.03 2 649 . 92 GLN HE21 H 7.52 0.03 2 650 . 92 GLN HE22 H 6.763 0.03 2 651 . 92 GLN HG2 H 2.349 0.03 2 652 . 92 GLN H H 7.751 0.03 1 653 . 92 GLN N N 118.516 0.30 1 654 . 92 GLN NE2 N 112.958 0.30 1 655 . 93 VAL CA C 57.168 0.30 1 656 . 93 VAL CB C 34.964 0.30 1 657 . 93 VAL CG2 C 18.056 0.30 1 658 . 93 VAL HA H 5.026 0.03 1 659 . 93 VAL HB H 2.029 0.03 1 660 . 93 VAL HG1 H 0.546 0.03 2 661 . 93 VAL HG2 H 0.392 0.03 2 662 . 93 VAL H H 8.205 0.03 1 663 . 93 VAL N N 113.068 0.30 1 664 . 94 VAL CA C 58.179 0.30 1 665 . 94 VAL CB C 33.085 0.30 1 666 . 94 VAL CG1 C 19.534 0.30 1 667 . 94 VAL HA H 4.761 0.03 1 668 . 94 VAL HB H 1.813 0.03 1 669 . 94 VAL HG1 H 0.829 0.03 2 670 . 94 VAL HG2 H 0.563 0.03 2 671 . 94 VAL H H 8.56 0.03 1 672 . 94 VAL N N 116.461 0.30 1 673 . 95 PHE CA C 55.698 0.30 1 674 . 95 PHE CB C 39.955 0.30 1 675 . 95 PHE HA H 4.676 0.03 1 676 . 95 PHE HB2 H 2.423 0.03 2 677 . 95 PHE HB3 H 2.85 0.03 2 678 . 95 PHE HD1 H 6.858 0.03 2 679 . 95 PHE H H 8.967 0.03 1 680 . 95 PHE N N 128.317 0.30 1 681 . 96 ASP CA C 50.955 0.30 1 682 . 96 ASP CB C 40.997 0.30 1 683 . 96 ASP HA H 4.558 0.03 1 684 . 96 ASP HB2 H 2.659 0.03 2 685 . 96 ASP HB3 H 2.017 0.03 2 686 . 96 ASP H H 8.6 0.03 1 687 . 96 ASP N N 129.881 0.30 1 688 . 97 ARG CA C 54.835 0.30 1 689 . 97 ARG CB C 28.811 0.30 1 690 . 98 GLY CA C 45.65 0.30 1 691 . 98 GLY HA2 H 3.606 0.03 1 692 . 98 GLY HA3 H 4.008 0.03 1 693 . 98 GLY H H 8.2 0.03 1 694 . 98 GLY N N 108.617 0.30 1 695 . 99 GLY CA C 43.771 0.30 1 696 . 99 GLY HA2 H 3.861 0.03 1 697 . 99 GLY HA3 H 3.601 0.03 1 698 . 99 GLY H H 8.186 0.03 1 699 . 99 GLY N N 111.24 0.30 1 700 . 100 TYR CA C 56.382 0.30 1 701 . 100 TYR CB C 37.776 0.30 1 702 . 100 TYR HA H 4.602 0.03 1 703 . 100 TYR HB2 H 2.972 0.03 2 704 . 100 TYR HB3 H 3.236 0.03 2 705 . 100 TYR HD1 H 7.209 0.03 2 706 . 100 TYR HE1 H 6.846 0.03 2 707 . 100 TYR H H 7.911 0.03 1 708 . 100 TYR N N 121.359 0.30 1 709 . 101 LEU CA C 53.851 0.30 1 710 . 101 LEU CB C 41.136 0.30 1 711 . 101 LEU HA H 4.192 0.03 1 712 . 101 LEU HB2 H 1.48 0.03 2 713 . 101 LEU HB3 H 1.226 0.03 2 714 . 101 LEU HD1 H 0.819 0.03 2 715 . 101 LEU HD2 H 0.759 0.03 2 716 . 101 LEU H H 8.281 0.03 1 717 . 101 LEU N N 122.361 0.30 1 718 . 102 TYR CA C 56.131 0.30 1 719 . 102 TYR CB C 35.352 0.30 1 720 . 102 TYR HA H 4.375 0.03 1 721 . 102 TYR HB2 H 3.21 0.03 2 722 . 102 TYR HB3 H 2.623 0.03 2 723 . 102 TYR HD1 H 7.001 0.03 2 724 . 102 TYR HE1 H 6.626 0.03 2 725 . 102 TYR H H 8.672 0.03 1 726 . 102 TYR N N 124.741 0.30 1 727 . 103 HIS CA C 53.822 0.30 1 728 . 103 HIS CB C 30.793 0.30 1 729 . 103 HIS HA H 4.389 0.03 1 730 . 103 HIS HB2 H 3.072 0.03 2 731 . 103 HIS HB3 H 2.971 0.03 2 732 . 103 HIS H H 7.949 0.03 1 733 . 103 HIS N N 122.4 0.30 1 734 . 105 ARG CA C 58.913 0.30 1 735 . 106 VAL CA C 66.329 0.30 1 736 . 106 VAL CB C 30.394 0.30 1 737 . 106 VAL HB H 1.526 0.03 1 738 . 106 VAL HG1 H 1.265 0.03 2 739 . 106 VAL HG2 H 0.9 0.03 2 740 . 106 VAL H H 7.903 0.03 1 741 . 106 VAL N N 119.604 0.30 1 742 . 107 LYS CA C 57.228 0.30 1 743 . 107 LYS CB C 30.715 0.30 1 744 . 107 LYS CD C 30.302 0.30 1 745 . 107 LYS CG C 19.957 0.30 1 746 . 107 LYS HA H 3.372 0.03 1 747 . 107 LYS HB2 H 0.559 0.03 2 748 . 107 LYS HB3 H 1.173 0.03 2 749 . 107 LYS HD2 H 2.287 0.03 2 750 . 107 LYS HE2 H 2.889 0.03 2 751 . 107 LYS HG2 H 1.026 0.03 2 752 . 107 LYS H H 6.544 0.03 1 753 . 107 LYS N N 119.479 0.30 1 754 . 108 ALA CA C 53.369 0.30 1 755 . 108 ALA CB C 17.555 0.30 1 756 . 108 ALA HA H 3.928 0.03 1 757 . 108 ALA HB H 1.286 0.03 1 758 . 108 ALA H H 7.817 0.03 1 759 . 108 ALA N N 120.221 0.30 1 760 . 109 LEU CA C 58.419 0.30 1 761 . 109 LEU CB C 42.001 0.30 1 762 . 109 LEU H H 7.698 0.03 1 763 . 109 LEU N N 120.859 0.30 1 764 . 110 ALA CA C 54.357 0.30 1 765 . 110 ALA CB C 17.266 0.30 1 766 . 110 ALA HA H 3.589 0.03 1 767 . 110 ALA HB H 1.169 0.03 1 768 . 110 ALA H H 7.92 0.03 1 769 . 110 ALA N N 123.817 0.30 1 770 . 111 ASP CA C 56.048 0.30 1 771 . 111 ASP CB C 38.123 0.30 1 772 . 111 ASP HA H 4.187 0.03 1 773 . 111 ASP HB2 H 2.626 0.03 2 774 . 111 ASP HB3 H 2.477 0.03 2 775 . 111 ASP H H 9.007 0.03 1 776 . 111 ASP N N 118.893 0.30 1 777 . 112 ALA CA C 53.668 0.30 1 778 . 112 ALA CB C 19.097 0.30 1 779 . 112 ALA HA H 4.104 0.03 1 780 . 112 ALA HB H 1.585 0.03 1 781 . 112 ALA H H 7.815 0.03 1 782 . 112 ALA N N 124.233 0.30 1 783 . 113 ALA CA C 53.598 0.30 1 784 . 113 ALA CB C 15.703 0.30 1 785 . 113 ALA HA H 3.898 0.03 1 786 . 113 ALA HB H 1.36 0.03 1 787 . 113 ALA H H 8.225 0.03 1 788 . 113 ALA N N 123.144 0.30 1 789 . 114 ARG CA C 56.613 0.30 1 790 . 114 ARG CB C 28.673 0.30 1 791 . 114 ARG HA H 4.617 0.03 1 792 . 114 ARG HB2 H 1.559 0.03 2 793 . 114 ARG HD2 H 1.986 0.03 2 794 . 114 ARG HG2 H 1.381 0.03 2 795 . 114 ARG HG3 H 1.06 0.03 2 796 . 114 ARG H H 8.044 0.03 1 797 . 114 ARG N N 119.508 0.30 1 798 . 115 GLU CA C 57.804 0.30 1 799 . 115 GLU CB C 27.897 0.30 1 800 . 115 GLU HA H 3.836 0.03 1 801 . 115 GLU HB2 H 2.015 0.03 2 802 . 115 GLU HB3 H 2.235 0.03 2 803 . 115 GLU H H 8.235 0.03 1 804 . 115 GLU N N 122.442 0.30 1 805 . 116 ALA CA C 51.341 0.30 1 806 . 116 ALA CB C 18.235 0.30 1 807 . 116 ALA HA H 4.191 0.03 1 808 . 116 ALA HB H 1.448 0.03 1 809 . 116 ALA H H 7.606 0.03 1 810 . 116 ALA N N 119.659 0.30 1 811 . 117 GLY CA C 43.935 0.30 1 812 . 117 GLY HA2 H 4.509 0.03 1 813 . 117 GLY HA3 H 3.535 0.03 1 814 . 117 GLY H H 7.432 0.03 1 815 . 117 GLY N N 103.934 0.30 1 816 . 118 LEU CA C 53.629 0.30 1 817 . 118 LEU CB C 42.07 0.30 1 818 . 118 LEU CD1 C 10.945 0.30 1 819 . 118 LEU HA H 4.562 0.03 1 820 . 118 LEU HB2 H 1.437 0.03 2 821 . 118 LEU HD1 H 0.757 0.03 2 822 . 118 LEU H H 7.84 0.03 1 823 . 118 LEU N N 121.775 0.30 1 824 . 119 GLU CA C 55.054 0.30 1 825 . 119 GLU CB C 30.447 0.30 1 826 . 119 GLU CG C 34.934 0.30 1 827 . 119 GLU HA H 4.359 0.03 1 828 . 119 GLU HB2 H 1.938 0.03 2 829 . 119 GLU HB3 H 1.867 0.03 2 830 . 119 GLU HG2 H 2.216 0.03 2 831 . 119 GLU HG3 H 2.08 0.03 2 832 . 119 GLU H H 8.292 0.03 1 833 . 119 GLU N N 123.077 0.30 1 834 . 120 PHE CA C 56.865 0.30 1 835 . 120 PHE CB C 37.391 0.30 1 836 . 120 PHE HA H 4.559 0.03 1 837 . 120 PHE HB2 H 3.45 0.03 2 838 . 120 PHE HB3 H 2.902 0.03 2 839 . 120 PHE HD1 H 6.777 0.03 2 840 . 120 PHE HE1 H 6.594 0.03 2 841 . 120 PHE H H 7.194 0.03 1 842 . 120 PHE N N 125.785 0.30 1 stop_ save_