data_19982 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NPM-N (Nucleophosmin) pentamer assignment ; _BMRB_accession_number 19982 _BMRB_flat_file_name bmr19982.str _Entry_type original _Submission_date 2014-05-20 _Accession_date 2014-05-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of the N-terminal oligomerization domain of NPM (NPM1)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mitrea Diana M. . 2 Grace Christy R. . 3 Buljan Marija . . 4 Yun Mi-Kyung . . 5 Pytel Nicholas . . 6 Satumba John . . 7 Nourse Amanda . . 8 Park Cheon-Gil . . 9 Babu Madan M. . 10 White Stephen W. . 11 Kriwacki Richard W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 122 "13C chemical shifts" 300 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-18 original author . stop_ _Original_release_date 2014-06-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural polymorphism in the N-terminal oligomerization domain of NPM1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 1321007111 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mitrea Diana M. . 2 Grace Christy R. . 3 Buljan Marija . . 4 Yun Mi-Kyung . . 5 Pytel Nicholas J. . 6 Satumba John . . 7 Nourse Amanda . . 8 Park Cheon-Gil . . 9 Babu Madan M. . 10 White Stephen W. . 11 Kriwacki Richard W. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 111 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4466 _Page_last 4471 _Year 2014 _Details . loop_ _Keyword NPM1 Nucleophosmin polymorphism stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NPM-N (Nucleophosmin) pentamer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NPM1, chain 1' $NPM 'NPM1, chain 2' $NPM 'NPM1, chain 3' $NPM 'NPM1, chain 4' $NPM 'NPM1, chain 5' $NPM 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_NPM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NPM _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Ribosome Biogenesis, centrosome duplication and tumor suppression' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; GSHWEDSMDMDMSPLRPQNY LFGCELKADKDYHFKVDNDE NEHQLSLRTVSLGAGAKDEL HIVEAEAMNYEGSPIKVTLA TLKMSVQPTVSLGGFEITPP VVLRLKCGSGPVHISGQHLV AVEEDAESEDEDE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 TRP 5 GLU 6 ASP 7 SER 8 MET 9 ASP 10 MET 11 ASP 12 MET 13 SER 14 PRO 15 LEU 16 ARG 17 PRO 18 GLN 19 ASN 20 TYR 21 LEU 22 PHE 23 GLY 24 CYS 25 GLU 26 LEU 27 LYS 28 ALA 29 ASP 30 LYS 31 ASP 32 TYR 33 HIS 34 PHE 35 LYS 36 VAL 37 ASP 38 ASN 39 ASP 40 GLU 41 ASN 42 GLU 43 HIS 44 GLN 45 LEU 46 SER 47 LEU 48 ARG 49 THR 50 VAL 51 SER 52 LEU 53 GLY 54 ALA 55 GLY 56 ALA 57 LYS 58 ASP 59 GLU 60 LEU 61 HIS 62 ILE 63 VAL 64 GLU 65 ALA 66 GLU 67 ALA 68 MET 69 ASN 70 TYR 71 GLU 72 GLY 73 SER 74 PRO 75 ILE 76 LYS 77 VAL 78 THR 79 LEU 80 ALA 81 THR 82 LEU 83 LYS 84 MET 85 SER 86 VAL 87 GLN 88 PRO 89 THR 90 VAL 91 SER 92 LEU 93 GLY 94 GLY 95 PHE 96 GLU 97 ILE 98 THR 99 PRO 100 PRO 101 VAL 102 VAL 103 LEU 104 ARG 105 LEU 106 LYS 107 CYS 108 GLY 109 SER 110 GLY 111 PRO 112 VAL 113 HIS 114 ILE 115 SER 116 GLY 117 GLN 118 HIS 119 LEU 120 VAL 121 ALA 122 VAL 123 GLU 124 GLU 125 ASP 126 ALA 127 GLU 128 SER 129 GLU 130 ASP 131 GLU 132 ASP 133 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2P1B "Crystal Structure Of Human Nucleophosmin-Core" 87.22 122 99.14 99.14 1.86e-77 PDB 4N8M "Structural Polymorphism In The N-terminal Oligomerization Domain Of Npm1" 100.00 133 99.25 99.25 9.85e-91 DBJ BAA08343 "p80 protein [Homo sapiens]" 87.22 680 100.00 100.00 9.45e-73 DBJ BAB24014 "unnamed protein product [Mus musculus]" 97.74 257 99.23 99.23 4.04e-88 DBJ BAB40600 "nucleophosmin/B23.2 [Homo sapiens]" 97.74 259 98.46 99.23 7.42e-88 DBJ BAC25844 "unnamed protein product [Mus musculus]" 96.99 292 100.00 100.00 4.58e-87 DBJ BAC25910 "unnamed protein product [Mus musculus]" 97.74 226 99.23 99.23 5.52e-88 EMBL CAA34809 "B23 nucleophosmin (280 AA) [Homo sapiens]" 87.22 280 99.14 100.00 3.29e-76 EMBL CAH90204 "hypothetical protein [Pongo abelii]" 96.99 313 99.22 100.00 2.81e-86 GB AAA36380 "nucleophosmin [Homo sapiens]" 96.99 294 99.22 100.00 1.28e-86 GB AAA36385 "nucleolar protein B23 [Homo sapiens]" 96.99 294 99.22 100.00 1.28e-86 GB AAA39801 "nucleolar protein [Mus musculus]" 96.99 292 100.00 100.00 4.58e-87 GB AAA40794 "nucleolar protein B23.2 [Rattus norvegicus]" 97.74 257 99.23 99.23 4.04e-88 GB AAA40795 "nucleolar protein B23.1 [Rattus norvegicus]" 96.99 292 100.00 100.00 4.58e-87 REF NP_001030518 "nucleophosmin [Bos taurus]" 96.99 294 96.90 100.00 2.80e-85 REF NP_001032827 "nucleophosmin isoform 3 [Homo sapiens]" 97.74 259 98.46 99.23 7.42e-88 REF NP_001125077 "nucleophosmin [Pongo abelii]" 96.99 313 99.22 100.00 2.81e-86 REF NP_001164790 "nucleophosmin [Oryctolagus cuniculus]" 96.99 313 99.22 100.00 2.81e-86 REF NP_001238905 "nucleophosmin [Pan troglodytes]" 96.99 294 99.22 100.00 1.28e-86 SP P06748 "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" 96.99 294 99.22 100.00 1.28e-86 SP P13084 "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" 96.99 292 100.00 100.00 4.58e-87 SP Q3T160 "RecName: Full=Nucleophosmin; Short=NPM" 96.99 294 96.90 100.00 2.80e-85 SP Q61937 "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" 96.99 292 100.00 100.00 4.58e-87 TPG DAA18048 "TPA: nucleophosmin [Bos taurus]" 96.99 294 96.90 100.00 2.80e-85 TPG DAA26330 "TPA: nucleophosmin 1-like isoform 1 [Bos taurus]" 96.99 294 96.90 100.00 2.80e-85 TPG DAA26331 "TPA: nucleophosmin 1-like isoform 2 [Bos taurus]" 96.99 266 96.90 100.00 3.93e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NPM Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NPM 'recombinant technology' . Escherichia coli BL21 DE3 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 $NPM 1.0 mM '[U-13C; U-15N; U-2H]' $NPM 0.2 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' NaCl 200 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' collection 'data analysis' 'peak picking' processing stop_ _Details 'Data was collected and processed using TOPSPIN and peak picking and analysis was done using CARA.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 200 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 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 $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NPM1, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 TRP H H 7.052 0.020 1 2 4 4 TRP C C 176.610 0.3 1 3 4 4 TRP CA C 57.476 0.3 1 4 4 4 TRP N N 119.900 0.3 1 5 5 5 GLU H H 8.363 0.020 1 6 5 5 GLU CA C 56.813 0.3 1 7 5 5 GLU N N 120.083 0.3 1 8 6 6 ASP H H 8.009 0.020 1 9 6 6 ASP CA C 54.845 0.3 1 10 6 6 ASP N N 119.925 0.3 1 11 7 7 SER H H 7.957 0.020 1 12 7 7 SER C C 175.182 0.3 1 13 7 7 SER CA C 58.718 0.3 1 14 7 7 SER N N 114.890 0.3 1 15 8 8 MET H H 8.208 0.020 1 16 8 8 MET CA C 55.759 0.3 1 17 8 8 MET CB C 32.337 0.3 1 18 8 8 MET N N 121.561 0.3 1 19 9 9 ASP H H 8.154 0.020 1 20 9 9 ASP C C 176.889 0.3 1 21 9 9 ASP CA C 54.601 0.3 1 22 9 9 ASP CB C 40.873 0.3 1 23 9 9 ASP N N 120.901 0.3 1 24 10 10 MET H H 8.054 0.020 1 25 10 10 MET C C 176.377 0.3 1 26 10 10 MET CA C 55.709 0.3 1 27 10 10 MET CB C 32.536 0.3 1 28 10 10 MET N N 120.045 0.3 1 29 11 11 ASP H H 8.224 0.020 1 30 11 11 ASP C C 176.572 0.3 1 31 11 11 ASP CA C 54.672 0.3 1 32 11 11 ASP CB C 40.873 0.3 1 33 11 11 ASP N N 120.826 0.3 1 34 12 12 MET H H 8.083 0.020 1 35 12 12 MET C C 176.621 0.3 1 36 12 12 MET CA C 55.122 0.3 1 37 12 12 MET CB C 32.492 0.3 1 38 12 12 MET N N 120.339 0.3 1 39 13 13 SER H H 8.197 0.020 1 40 13 13 SER C C 173.158 0.3 1 41 13 13 SER CA C 56.871 0.3 1 42 13 13 SER CB C 63.130 0.3 1 43 13 13 SER N N 117.940 0.3 1 44 15 15 LEU H H 8.168 0.020 1 45 15 15 LEU C C 177.402 0.3 1 46 15 15 LEU CA C 54.991 0.3 1 47 15 15 LEU CB C 41.494 0.3 1 48 15 15 LEU N N 121.859 0.3 1 49 16 16 ARG H H 8.156 0.020 1 50 16 16 ARG C C 174.475 0.3 1 51 16 16 ARG CA C 53.608 0.3 1 52 16 16 ARG CB C 29.666 0.3 1 53 16 16 ARG N N 122.563 0.3 1 54 18 18 GLN H H 8.557 0.020 1 55 18 18 GLN C C 174.426 0.3 1 56 18 18 GLN CA C 55.269 0.3 1 57 18 18 GLN CB C 30.814 0.3 1 58 18 18 GLN N N 120.644 0.3 1 59 19 19 ASN H H 7.935 0.020 1 60 19 19 ASN C C 174.621 0.3 1 61 19 19 ASN CA C 52.200 0.3 1 62 19 19 ASN CB C 40.164 0.3 1 63 19 19 ASN N N 118.731 0.3 1 64 20 20 TYR H H 9.030 0.020 1 65 20 20 TYR C C 175.450 0.3 1 66 20 20 TYR CA C 56.684 0.3 1 67 20 20 TYR CB C 41.005 0.3 1 68 20 20 TYR N N 125.579 0.3 1 69 21 21 LEU H H 8.196 0.020 1 70 21 21 LEU C C 175.572 0.3 1 71 21 21 LEU CA C 55.752 0.3 1 72 21 21 LEU CB C 43.356 0.3 1 73 21 21 LEU N N 123.564 0.3 1 74 22 22 PHE H H 8.082 0.020 1 75 22 22 PHE C C 173.212 0.3 1 76 22 22 PHE CA C 57.050 0.3 1 77 22 22 PHE N N 120.831 0.3 1 78 23 23 GLY H H 6.099 0.020 1 79 23 23 GLY C C 170.914 0.3 1 80 23 23 GLY CA C 45.953 0.3 1 81 23 23 GLY N N 111.693 0.3 1 82 24 24 CYS H H 7.880 0.020 1 83 24 24 CYS C C 171.109 0.3 1 84 24 24 CYS CA C 56.132 0.3 1 85 24 24 CYS CB C 30.404 0.3 1 86 24 24 CYS N N 110.328 0.3 1 87 25 25 GLU H H 8.068 0.020 1 88 25 25 GLU C C 174.841 0.3 1 89 25 25 GLU CA C 54.531 0.3 1 90 25 25 GLU CB C 32.104 0.3 1 91 25 25 GLU N N 120.906 0.3 1 92 26 26 LEU H H 9.423 0.020 1 93 26 26 LEU CA C 52.956 0.3 1 94 26 26 LEU N N 124.709 0.3 1 95 27 27 LYS H H 8.537 0.020 1 96 27 27 LYS C C 177.011 0.3 1 97 27 27 LYS CA C 54.959 0.3 1 98 27 27 LYS CB C 36.309 0.3 1 99 27 27 LYS N N 118.338 0.3 1 100 28 28 ALA H H 7.726 0.020 1 101 28 28 ALA C C 178.207 0.3 1 102 28 28 ALA CA C 54.845 0.3 1 103 28 28 ALA CB C 18.019 0.3 1 104 28 28 ALA N N 123.335 0.3 1 105 29 29 ASP H H 8.407 0.020 1 106 29 29 ASP CA C 53.948 0.3 1 107 29 29 ASP CB C 39.754 0.3 1 108 29 29 ASP N N 113.124 0.3 1 109 30 30 LYS H H 7.450 0.020 1 110 30 30 LYS C C 174.922 0.3 1 111 30 30 LYS CA C 56.240 0.3 1 112 30 30 LYS CB C 34.095 0.3 1 113 30 30 LYS N N 120.576 0.3 1 114 31 31 ASP H H 8.211 0.020 1 115 31 31 ASP C C 176.280 0.3 1 116 31 31 ASP CA C 53.608 0.3 1 117 31 31 ASP CB C 41.395 0.3 1 118 31 31 ASP N N 126.468 0.3 1 119 32 32 TYR H H 8.884 0.020 1 120 32 32 TYR C C 173.745 0.3 1 121 32 32 TYR CA C 59.238 0.3 1 122 32 32 TYR CB C 41.723 0.3 1 123 32 32 TYR N N 120.020 0.3 1 124 33 33 HIS H H 8.070 0.020 1 125 33 33 HIS C C 173.743 0.3 1 126 33 33 HIS CA C 54.190 0.3 1 127 33 33 HIS CB C 31.470 0.3 1 128 33 33 HIS N N 127.499 0.3 1 129 34 34 PHE H H 8.983 0.020 1 130 34 34 PHE C C 173.499 0.3 1 131 34 34 PHE CA C 57.636 0.3 1 132 34 34 PHE CB C 39.262 0.3 1 133 34 34 PHE N N 125.693 0.3 1 134 35 35 LYS H H 7.556 0.020 1 135 35 35 LYS C C 174.719 0.3 1 136 35 35 LYS CA C 54.837 0.3 1 137 35 35 LYS CB C 33.931 0.3 1 138 35 35 LYS N N 126.124 0.3 1 139 36 36 VAL H H 8.274 0.020 1 140 36 36 VAL C C 175.792 0.3 1 141 36 36 VAL CA C 60.653 0.3 1 142 36 36 VAL CB C 32.141 0.3 1 143 36 36 VAL N N 118.782 0.3 1 144 37 37 ASP H H 8.174 0.020 1 145 37 37 ASP CA C 54.606 0.3 1 146 37 37 ASP CB C 41.317 0.3 1 147 37 37 ASP N N 123.027 0.3 1 148 38 38 ASN H H 8.271 0.020 1 149 38 38 ASN C C 176.523 0.3 1 150 38 38 ASN CA C 53.509 0.3 1 151 38 38 ASN N N 117.273 0.3 1 152 39 39 ASP H H 7.955 0.020 1 153 39 39 ASP C C 176.450 0.3 1 154 39 39 ASP CA C 54.135 0.3 1 155 39 39 ASP CB C 42.215 0.3 1 156 39 39 ASP N N 119.324 0.3 1 157 40 40 GLU H H 8.512 0.020 1 158 40 40 GLU C C 176.987 0.3 1 159 40 40 GLU CA C 56.916 0.3 1 160 40 40 GLU CB C 29.009 0.3 1 161 40 40 GLU N N 118.853 0.3 1 162 41 41 ASN H H 8.194 0.020 1 163 41 41 ASN C C 174.548 0.3 1 164 41 41 ASN CA C 52.961 0.3 1 165 41 41 ASN CB C 39.426 0.3 1 166 41 41 ASN N N 117.229 0.3 1 167 42 42 GLU H H 8.146 0.020 1 168 42 42 GLU C C 176.255 0.3 1 169 42 42 GLU CA C 56.445 0.3 1 170 42 42 GLU CB C 30.474 0.3 1 171 42 42 GLU N N 118.926 0.3 1 172 43 43 HIS H H 8.587 0.020 1 173 43 43 HIS C C 176.109 0.3 1 174 43 43 HIS CA C 55.874 0.3 1 175 43 43 HIS CB C 35.053 0.3 1 176 43 43 HIS N N 122.207 0.3 1 177 44 44 GLN H H 9.010 0.020 1 178 44 44 GLN C C 174.450 0.3 1 179 44 44 GLN CA C 55.594 0.3 1 180 44 44 GLN CB C 33.345 0.3 1 181 44 44 GLN N N 118.469 0.3 1 182 45 45 LEU H H 8.222 0.020 1 183 45 45 LEU C C 175.914 0.3 1 184 45 45 LEU CA C 52.750 0.3 1 185 45 45 LEU CB C 43.279 0.3 1 186 45 45 LEU N N 122.913 0.3 1 187 46 46 SER H H 8.830 0.020 1 188 46 46 SER C C 176.060 0.3 1 189 46 46 SER CA C 55.381 0.3 1 190 46 46 SER CB C 62.638 0.3 1 191 46 46 SER N N 116.809 0.3 1 192 47 47 LEU H H 8.654 0.020 1 193 47 47 LEU C C 177.816 0.3 1 194 47 47 LEU CA C 55.866 0.3 1 195 47 47 LEU N N 124.299 0.3 1 196 48 48 ARG H H 9.359 0.020 1 197 48 48 ARG CA C 56.374 0.3 1 198 48 48 ARG N N 122.399 0.3 1 199 49 49 THR H H 7.836 0.020 1 200 49 49 THR C C 173.328 0.3 1 201 49 49 THR CA C 59.687 0.3 1 202 49 49 THR CB C 72.562 0.3 1 203 49 49 THR N N 110.020 0.3 1 204 50 50 VAL H H 8.669 0.020 1 205 50 50 VAL CA C 60.757 0.3 1 206 50 50 VAL N N 122.116 0.3 1 207 51 51 SER H H 9.017 0.020 1 208 51 51 SER CA C 57.685 0.3 1 209 51 51 SER N N 120.211 0.3 1 210 52 52 LEU H H 8.448 0.020 1 211 52 52 LEU C C 176.885 0.3 1 212 52 52 LEU CA C 55.430 0.3 1 213 52 52 LEU N N 123.326 0.3 1 214 53 53 GLY H H 7.925 0.020 1 215 53 53 GLY C C 173.084 0.3 1 216 53 53 GLY CA C 43.915 0.3 1 217 53 53 GLY N N 104.871 0.3 1 218 54 54 ALA H H 7.934 0.020 1 219 54 54 ALA C C 179.475 0.3 1 220 54 54 ALA CA C 53.673 0.3 1 221 54 54 ALA CB C 17.526 0.3 1 222 54 54 ALA N N 119.938 0.3 1 223 55 55 GLY H H 8.460 0.020 1 224 55 55 GLY C C 175.036 0.3 1 225 55 55 GLY CA C 44.593 0.3 1 226 55 55 GLY N N 106.899 0.3 1 227 56 56 ALA H H 7.376 0.020 1 228 56 56 ALA C C 178.279 0.3 1 229 56 56 ALA CA C 52.626 0.3 1 230 56 56 ALA CB C 18.019 0.3 1 231 56 56 ALA N N 123.253 0.3 1 232 57 57 LYS H H 8.870 0.020 1 233 57 57 LYS C C 178.109 0.3 1 234 57 57 LYS CA C 55.748 0.3 1 235 57 57 LYS CB C 32.536 0.3 1 236 57 57 LYS N N 121.231 0.3 1 237 59 59 GLU H H 8.001 0.020 1 238 59 59 GLU C C 176.876 0.3 1 239 59 59 GLU CA C 53.148 0.3 1 240 59 59 GLU N N 117.916 0.3 1 241 60 60 LEU H H 10.360 0.020 1 242 60 60 LEU CA C 56.719 0.3 1 243 60 60 LEU N N 132.484 0.3 1 244 61 61 HIS H H 8.971 0.020 1 245 61 61 HIS C C 175.719 0.3 1 246 61 61 HIS CA C 55.411 0.3 1 247 61 61 HIS N N 122.204 0.3 1 248 62 62 ILE H H 7.792 0.020 1 249 62 62 ILE C C 175.841 0.3 1 250 62 62 ILE CA C 61.309 0.3 1 251 62 62 ILE CB C 40.252 0.3 1 252 62 62 ILE N N 120.514 0.3 1 253 63 63 VAL H H 8.498 0.020 1 254 63 63 VAL CA C 61.742 0.3 1 255 63 63 VAL N N 127.535 0.3 1 256 64 64 GLU H H 9.410 0.020 1 257 64 64 GLU CA C 53.938 0.3 1 258 64 64 GLU N N 130.227 0.3 1 259 65 65 ALA H H 8.887 0.020 1 260 65 65 ALA CA C 49.094 0.3 1 261 65 65 ALA N N 123.814 0.3 1 262 66 66 GLU H H 9.058 0.020 1 263 66 66 GLU C C 175.645 0.3 1 264 66 66 GLU CA C 54.086 0.3 1 265 66 66 GLU CB C 32.618 0.3 1 266 66 66 GLU N N 121.420 0.3 1 267 67 67 ALA H H 8.341 0.020 1 268 67 67 ALA C C 176.036 0.3 1 269 67 67 ALA CA C 51.128 0.3 1 270 67 67 ALA CB C 20.971 0.3 1 271 67 67 ALA N N 128.792 0.3 1 272 68 68 MET H H 8.267 0.020 1 273 68 68 MET C C 177.987 0.3 1 274 68 68 MET CA C 56.226 0.3 1 275 68 68 MET CB C 33.521 0.3 1 276 68 68 MET N N 117.114 0.3 1 277 69 69 ASN H H 8.759 0.020 1 278 69 69 ASN C C 177.133 0.3 1 279 69 69 ASN CA C 50.909 0.3 1 280 69 69 ASN CB C 39.344 0.3 1 281 69 69 ASN N N 121.245 0.3 1 282 70 70 TYR H H 8.658 0.020 1 283 70 70 TYR C C 176.109 0.3 1 284 70 70 TYR CA C 58.811 0.3 1 285 70 70 TYR CB C 37.691 0.3 1 286 70 70 TYR N N 118.504 0.3 1 287 71 71 GLU H H 7.300 0.020 1 288 71 71 GLU C C 177.304 0.3 1 289 71 71 GLU CA C 56.443 0.3 1 290 71 71 GLU CB C 28.845 0.3 1 291 71 71 GLU N N 116.921 0.3 1 292 72 72 GLY H H 7.896 0.020 1 293 72 72 GLY C C 174.694 0.3 1 294 72 72 GLY CA C 45.985 0.3 1 295 72 72 GLY N N 107.644 0.3 1 296 73 73 SER H H 8.010 0.020 1 297 73 73 SER C C 171.889 0.3 1 298 73 73 SER CA C 55.787 0.3 1 299 73 73 SER CB C 63.844 0.3 1 300 73 73 SER N N 117.049 0.3 1 301 75 75 ILE H H 8.915 0.020 1 302 75 75 ILE C C 173.158 0.3 1 303 75 75 ILE CA C 59.618 0.3 1 304 75 75 ILE CB C 41.641 0.3 1 305 75 75 ILE N N 122.019 0.3 1 306 76 76 LYS H H 7.863 0.020 1 307 76 76 LYS C C 177.085 0.3 1 308 76 76 LYS CA C 54.845 0.3 1 309 76 76 LYS CB C 32.700 0.3 1 310 76 76 LYS N N 121.692 0.3 1 311 77 77 VAL H H 9.256 0.020 1 312 77 77 VAL C C 175.280 0.3 1 313 77 77 VAL CA C 59.238 0.3 1 314 77 77 VAL N N 119.913 0.3 1 315 78 78 THR H H 8.777 0.020 1 316 78 78 THR C C 174.548 0.3 1 317 78 78 THR CA C 63.622 0.3 1 318 78 78 THR CB C 69.036 0.3 1 319 78 78 THR N N 122.449 0.3 1 320 79 79 LEU H H 9.157 0.020 1 321 79 79 LEU CA C 55.767 0.3 1 322 79 79 LEU N N 126.232 0.3 1 323 80 80 ALA H H 6.934 0.020 1 324 80 80 ALA C C 175.102 0.3 1 325 80 80 ALA CA C 52.191 0.3 1 326 80 80 ALA N N 114.364 0.3 1 327 81 81 THR H H 8.027 0.020 1 328 81 81 THR CA C 62.413 0.3 1 329 81 81 THR N N 119.159 0.3 1 330 82 82 LEU H H 9.314 0.020 1 331 82 82 LEU CA C 54.363 0.3 1 332 82 82 LEU N N 122.925 0.3 1 333 83 83 LYS H H 7.257 0.020 1 334 83 83 LYS C C 177.133 0.3 1 335 83 83 LYS CA C 56.865 0.3 1 336 83 83 LYS CB C 36.063 0.3 1 337 83 83 LYS N N 117.244 0.3 1 338 84 84 MET H H 9.708 0.020 1 339 84 84 MET C C 175.949 0.3 1 340 84 84 MET CA C 59.790 0.3 1 341 84 84 MET N N 132.482 0.3 1 342 85 85 SER H H 8.024 0.020 1 343 85 85 SER C C 177.426 0.3 1 344 85 85 SER CA C 59.135 0.3 1 345 85 85 SER CB C 62.392 0.3 1 346 85 85 SER N N 106.896 0.3 1 347 86 86 VAL H H 7.310 0.020 1 348 86 86 VAL C C 174.767 0.3 1 349 86 86 VAL CA C 63.786 0.3 1 350 86 86 VAL CB C 35.817 0.3 1 351 86 86 VAL N N 117.735 0.3 1 352 87 87 GLN H H 8.481 0.020 1 353 87 87 GLN C C 172.889 0.3 1 354 87 87 GLN CA C 55.129 0.3 1 355 87 87 GLN CB C 29.337 0.3 1 356 87 87 GLN N N 117.003 0.3 1 357 89 89 THR H H 7.953 0.020 1 358 89 89 THR C C 174.963 0.3 1 359 89 89 THR CA C 61.982 0.3 1 360 89 89 THR CB C 71.332 0.3 1 361 89 89 THR N N 112.173 0.3 1 362 90 90 VAL H H 9.371 0.020 1 363 90 90 VAL CA C 61.620 0.3 1 364 90 90 VAL N N 125.445 0.3 1 365 91 91 SER H H 8.910 0.020 1 366 91 91 SER C C 176.280 0.3 1 367 91 91 SER CA C 55.925 0.3 1 368 91 91 SER N N 121.639 0.3 1 369 92 92 LEU H H 9.007 0.020 1 370 92 92 LEU C C 180.085 0.3 1 371 92 92 LEU CA C 55.437 0.3 1 372 92 92 LEU CB C 42.503 0.3 1 373 92 92 LEU N N 124.800 0.3 1 374 93 93 GLY H H 8.208 0.020 1 375 93 93 GLY CA C 46.952 0.3 1 376 93 93 GLY N N 105.782 0.3 1 377 94 94 GLY H H 7.108 0.020 1 378 94 94 GLY C C 172.621 0.3 1 379 94 94 GLY CA C 46.330 0.3 1 380 94 94 GLY N N 107.559 0.3 1 381 95 95 PHE H H 8.002 0.020 1 382 95 95 PHE C C 175.303 0.3 1 383 95 95 PHE CA C 54.337 0.3 1 384 95 95 PHE CB C 39.011 0.3 1 385 95 95 PHE N N 121.561 0.3 1 386 96 96 GLU H H 7.674 0.020 1 387 96 96 GLU C C 176.377 0.3 1 388 96 96 GLU CA C 56.684 0.3 1 389 96 96 GLU CB C 28.681 0.3 1 390 96 96 GLU N N 129.371 0.3 1 391 97 97 ILE H H 8.882 0.020 1 392 97 97 ILE CA C 60.791 0.3 1 393 97 97 ILE CB C 42.051 0.3 1 394 97 97 ILE N N 124.475 0.3 1 395 98 98 THR H H 9.282 0.020 1 396 98 98 THR C C 172.368 0.3 1 397 98 98 THR CA C 60.276 0.3 1 398 98 98 THR CB C 69.938 0.3 1 399 98 98 THR N N 127.053 0.3 1 400 101 101 VAL H H 8.423 0.020 1 401 101 101 VAL C C 172.987 0.3 1 402 101 101 VAL CA C 59.721 0.3 1 403 101 101 VAL CB C 34.768 0.3 1 404 101 101 VAL N N 117.236 0.3 1 405 102 102 VAL H H 8.463 0.020 1 406 102 102 VAL C C 175.328 0.3 1 407 102 102 VAL CA C 60.895 0.3 1 408 102 102 VAL CB C 33.811 0.3 1 409 102 102 VAL N N 126.859 0.3 1 410 103 103 LEU H H 9.222 0.020 1 411 103 103 LEU C C 174.888 0.3 1 412 103 103 LEU CA C 53.051 0.3 1 413 103 103 LEU CB C 44.598 0.3 1 414 103 103 LEU N N 126.279 0.3 1 415 104 104 ARG H H 8.883 0.020 1 416 104 104 ARG CA C 54.625 0.3 1 417 104 104 ARG N N 116.320 0.3 1 418 105 105 LEU H H 9.282 0.020 1 419 105 105 LEU C C 177.085 0.3 1 420 105 105 LEU CA C 53.370 0.3 1 421 105 105 LEU CB C 40.574 0.3 1 422 105 105 LEU N N 120.965 0.3 1 423 106 106 LYS H H 8.667 0.020 1 424 106 106 LYS C C 176.767 0.3 1 425 106 106 LYS CA C 56.960 0.3 1 426 106 106 LYS CB C 33.028 0.3 1 427 106 106 LYS N N 126.378 0.3 1 428 107 107 CYS H H 7.412 0.020 1 429 107 107 CYS C C 173.670 0.3 1 430 107 107 CYS CA C 57.293 0.3 1 431 107 107 CYS CB C 29.853 0.3 1 432 107 107 CYS N N 112.046 0.3 1 433 108 108 GLY H H 8.036 0.020 1 434 108 108 GLY C C 173.889 0.3 1 435 108 108 GLY CA C 43.445 0.3 1 436 108 108 GLY N N 110.480 0.3 1 437 109 109 SER H H 8.197 0.020 1 438 109 109 SER C C 177.713 0.3 1 439 109 109 SER CA C 60.858 0.3 1 440 109 109 SER CB C 63.689 0.3 1 441 109 109 SER N N 114.486 0.3 1 442 110 110 GLY H H 10.906 0.020 1 443 110 110 GLY C C 171.401 0.3 1 444 110 110 GLY CA C 43.848 0.3 1 445 110 110 GLY N N 114.682 0.3 1 446 112 112 VAL H H 8.587 0.020 1 447 112 112 VAL C C 173.470 0.3 1 448 112 112 VAL CA C 60.720 0.3 1 449 112 112 VAL CB C 34.975 0.3 1 450 112 112 VAL N N 119.752 0.3 1 451 113 113 HIS H H 9.555 0.020 1 452 113 113 HIS CA C 54.887 0.3 1 453 113 113 HIS N N 125.786 0.3 1 454 114 114 ILE H H 8.503 0.020 1 455 114 114 ILE CA C 59.411 0.3 1 456 114 114 ILE N N 119.792 0.3 1 457 115 115 SER H H 9.291 0.020 1 458 115 115 SER CA C 56.822 0.3 1 459 115 115 SER N N 121.853 0.3 1 460 116 116 GLY H H 9.065 0.020 1 461 116 116 GLY CA C 46.710 0.3 1 462 116 116 GLY N N 107.582 0.3 1 463 117 117 GLN H H 8.914 0.020 1 464 117 117 GLN CA C 53.417 0.3 1 465 117 117 GLN CB C 32.560 0.3 1 466 117 117 GLN N N 117.819 0.3 1 467 118 118 HIS H H 9.541 0.020 1 468 118 118 HIS C C 173.597 0.3 1 469 118 118 HIS CA C 53.107 0.3 1 470 118 118 HIS CB C 32.536 0.3 1 471 118 118 HIS N N 124.780 0.3 1 472 119 119 LEU H H 9.031 0.020 1 473 119 119 LEU C C 176.694 0.3 1 474 119 119 LEU CA C 53.751 0.3 1 475 119 119 LEU CB C 42.215 0.3 1 476 119 119 LEU N N 127.659 0.3 1 477 120 120 VAL H H 8.367 0.020 1 478 120 120 VAL C C 176.694 0.3 1 479 120 120 VAL CA C 60.998 0.3 1 480 120 120 VAL N N 121.666 0.3 1 481 121 121 ALA H H 8.603 0.020 1 482 121 121 ALA C C 176.677 0.3 1 483 121 121 ALA CA C 50.859 0.3 1 484 121 121 ALA N N 130.707 0.3 1 485 122 122 VAL H H 8.086 0.020 1 486 122 122 VAL C C 176.245 0.3 1 487 122 122 VAL CA C 61.396 0.3 1 488 122 122 VAL CB C 32.571 0.3 1 489 122 122 VAL N N 121.733 0.3 1 490 123 123 GLU H H 8.348 0.020 1 491 123 123 GLU C C 176.548 0.3 1 492 123 123 GLU CA C 55.851 0.3 1 493 123 123 GLU CB C 30.158 0.3 1 494 123 123 GLU N N 125.878 0.3 1 495 124 124 GLU H H 8.415 0.020 1 496 124 124 GLU C C 176.670 0.3 1 497 124 124 GLU CA C 56.356 0.3 1 498 124 124 GLU CB C 30.008 0.3 1 499 124 124 GLU N N 123.367 0.3 1 500 125 125 ASP H H 8.425 0.020 1 501 125 125 ASP C C 176.377 0.3 1 502 125 125 ASP CA C 54.193 0.3 1 503 125 125 ASP CB C 40.951 0.3 1 504 125 125 ASP N N 122.450 0.3 1 505 126 126 ALA H H 8.215 0.020 1 506 126 126 ALA C C 178.280 0.3 1 507 126 126 ALA CA C 52.224 0.3 1 508 126 126 ALA CB C 19.003 0.3 1 509 126 126 ALA N N 124.822 0.3 1 510 127 127 GLU H H 8.310 0.020 1 511 127 127 GLU C C 177.182 0.3 1 512 127 127 GLU CA C 56.322 0.3 1 513 127 127 GLU CB C 29.666 0.3 1 514 127 127 GLU N N 120.250 0.3 1 515 128 128 SER H H 8.269 0.020 1 516 128 128 SER C C 174.963 0.3 1 517 128 128 SER CA C 58.148 0.3 1 518 128 128 SER CB C 63.844 0.3 1 519 128 128 SER N N 117.065 0.3 1 520 129 129 GLU H H 8.427 0.020 1 521 129 129 GLU C C 176.610 0.3 1 522 129 129 GLU CA C 56.408 0.3 1 523 129 129 GLU CB C 30.076 0.3 1 524 129 129 GLU N N 122.962 0.3 1 525 130 130 ASP H H 8.307 0.020 1 526 130 130 ASP C C 176.719 0.3 1 527 130 130 ASP CA C 54.494 0.3 1 528 130 130 ASP CB C 40.951 0.3 1 529 130 130 ASP N N 121.819 0.3 1 530 131 131 GLU H H 8.296 0.020 1 531 131 131 GLU C C 176.548 0.3 1 532 131 131 GLU CA C 56.316 0.3 1 533 131 131 GLU CB C 30.008 0.3 1 534 131 131 GLU N N 121.113 0.3 1 535 132 132 ASP H H 8.274 0.020 1 536 132 132 ASP C C 175.816 0.3 1 537 132 132 ASP CA C 54.524 0.3 1 538 132 132 ASP CB C 40.984 0.3 1 539 132 132 ASP N N 121.523 0.3 1 540 133 133 GLU H H 7.807 0.020 1 541 133 133 GLU C C 181.735 0.3 1 542 133 133 GLU CA C 58.045 0.3 1 543 133 133 GLU CB C 30.732 0.3 1 544 133 133 GLU N N 125.604 0.3 1 stop_ save_