data_50329 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NPAT ; _BMRB_accession_number 50329 _BMRB_flat_file_name bmr50329.str _Entry_type original _Submission_date 2020-06-17 _Accession_date 2020-06-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'assigned chemical shift for 1397-1426 fragment of the NPAT protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bucholc Katarzyna . . 2 Skrajna Aleksandra . . 3 Adamska Kinga . . 4 Yang Xiao-Cui . . 5 Krajewski Krzysztof . . 6 Poznanski Jaroslaw . . 7 Dadlez Michal . . 8 Dominski Zbigniew . . 9 Zhukov Igor . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 219 "13C chemical shifts" 128 "15N chemical shifts" 29 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-25 original BMRB . stop_ _Original_release_date 2020-06-17 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Analysis of the SANT/Myb Domain of FLASH and YARP Proteins and Their Complex with the C-Terminal Fragment of NPAT by NMR Spectroscopy and Computer Simulations ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32722282 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bucholc Katarzyna . . 2 Skrajna Aleksandra . . 3 Adamska Kinga . . 4 Yang Xiao-Cui . . 5 Krajewski Krzysztof . . 6 Poznanski Jaroslaw . . 7 Dadlez Michal . . 8 Dominski Zbigniew . . 9 Zhukov Igor . . stop_ _Journal_abbreviation 'Int. J. Mol. Sci.' _Journal_name_full 'International journal of molecular sciences' _Journal_volume 21 _Journal_issue 15 _Journal_ISSN 1422-0067 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5268 _Page_last 5268 _Year 2020 _Details . loop_ _Keyword 'Histone Locus Body, SANT domain, Myb DNA binding domain, NMR spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name NPAT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NPAT $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Required for progression through the G1 and S phases of the cell cycle and for S phase entry' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 31 _Mol_residue_sequence ; KKKKIKKKKLPSSFPAGMDV DKFLLSLHYDE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1397 LYS 2 1398 LYS 3 1399 LYS 4 1400 LYS 5 1401 ILE 6 1402 LYS 7 1403 LYS 8 1404 LYS 9 1405 LYS 10 1406 LEU 11 1407 PRO 12 1408 SER 13 1409 SER 14 1410 PHE 15 1411 PRO 16 1412 ALA 17 1413 GLY 18 1414 MET 19 1415 ASP 20 1416 VAL 21 1417 ASP 22 1418 LYS 23 1419 PHE 24 1420 LEU 25 1421 LEU 26 1422 SER 27 1423 LEU 28 1424 HIS 29 1425 TYR 30 1426 ASP 31 1427 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q14207 NPAT . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'fragment 1397-1427' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM 'natural abundance' TRIS-d11 25 mM 'natural abundance' KCl 250 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRFAM-SPARKY _Version . loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Task 'structure solution' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name YASARA _Version 17.1 loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Uniform NMR System' _Field_strength 800 _Details '1H/13C/15N probehead, z-gradient' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM TRIS-d11, 90%/10% H2O/D2O, 250 mM KCl, pH 6.2' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 10 mM pH 6.2 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0.0 external 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name NPAT _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 1397 1 LYS H H 8.27 0.02 1 2 1397 1 LYS HA H 4.27 0.02 1 3 1397 1 LYS HB2 H 1.67 0.02 2 4 1397 1 LYS HB3 H 1.75 0.02 2 5 1397 1 LYS HG2 H 0.82 0.02 2 6 1397 1 LYS HG3 H 0.83 0.02 2 7 1397 1 LYS HD2 H 1.63 0.02 2 8 1397 1 LYS HD3 H 1.67 0.02 2 9 1397 1 LYS HE2 H 2.93 0.02 2 10 1397 1 LYS HE3 H 2.93 0.02 2 11 1397 1 LYS CA C 58.85 0.20 1 12 1397 1 LYS CB C 33.26 0.20 1 13 1397 1 LYS CG C 25.03 0.20 1 14 1397 1 LYS CD C 27.20 0.20 1 15 1397 1 LYS CE C 41.98 0.20 1 16 1397 1 LYS N N 123.88 0.20 1 17 1398 2 LYS H H 7.78 0.02 1 18 1398 2 LYS HA H 4.13 0.02 1 19 1398 2 LYS HB2 H 1.55 0.02 2 20 1398 2 LYS HB3 H 1.68 0.02 2 21 1398 2 LYS HG2 H 0.82 0.02 2 22 1398 2 LYS HG3 H 0.83 0.02 2 23 1398 2 LYS HD2 H 0.84 0.02 2 24 1398 2 LYS HD3 H 1.67 0.02 2 25 1398 2 LYS HE2 H 2.93 0.02 2 26 1398 2 LYS HE3 H 2.94 0.02 2 27 1398 2 LYS CA C 56.45 0.20 1 28 1398 2 LYS CB C 33.26 0.20 1 29 1398 2 LYS CG C 24.98 0.20 1 30 1398 2 LYS CD C 27.05 0.20 1 31 1398 2 LYS CE C 42.13 0.20 1 32 1398 2 LYS N N 123.31 0.20 1 33 1399 3 LYS H H 8.29 0.02 1 34 1399 3 LYS HA H 4.27 0.02 1 35 1399 3 LYS HB2 H 1.67 0.02 2 36 1399 3 LYS HB3 H 1.73 0.02 2 37 1399 3 LYS HG2 H 0.83 0.02 2 38 1399 3 LYS HG3 H 1.39 0.02 2 39 1399 3 LYS HD2 H 1.63 0.02 2 40 1399 3 LYS HD3 H 1.66 0.02 2 41 1399 3 LYS HE2 H 2.93 0.02 2 42 1399 3 LYS HE3 H 2.93 0.02 2 43 1399 3 LYS CA C 58.87 0.20 1 44 1399 3 LYS CB C 33.25 0.20 1 45 1399 3 LYS CG C 24.97 0.20 1 46 1399 3 LYS CD C 29.15 0.20 1 47 1399 3 LYS CE C 42.11 0.20 1 48 1399 3 LYS N N 123.74 0.20 1 49 1400 4 LYS H H 8.41 0.02 1 50 1400 4 LYS HA H 4.26 0.02 1 51 1400 4 LYS HB2 H 1.67 0.02 2 52 1400 4 LYS HB3 H 1.74 0.02 2 53 1400 4 LYS HG2 H 0.82 0.02 2 54 1400 4 LYS HG3 H 0.84 0.02 2 55 1400 4 LYS HD2 H 1.63 0.02 2 56 1400 4 LYS HD3 H 1.64 0.02 2 57 1400 4 LYS HE2 H 2.93 0.02 2 58 1400 4 LYS HE3 H 2.93 0.02 2 59 1400 4 LYS CA C 59.14 0.20 1 60 1400 4 LYS CB C 33.25 0.20 1 61 1400 4 LYS CG C 24.97 0.20 1 62 1400 4 LYS CD C 27.12 0.20 1 63 1400 4 LYS CE C 42.09 0.20 1 64 1400 4 LYS N N 123.72 0.20 1 65 1401 5 ILE H H 8.22 0.02 1 66 1401 5 ILE HA H 4.14 0.02 1 67 1401 5 ILE HB H 1.55 0.02 1 68 1401 5 ILE HG12 H 1.56 0.02 2 69 1401 5 ILE HG13 H 1.66 0.02 2 70 1401 5 ILE HG2 H 0.83 0.02 1 71 1401 5 ILE HD1 H 0.82 0.02 1 72 1401 5 ILE CA C 56.71 0.20 1 73 1401 5 ILE CB C 41.97 0.20 1 74 1401 5 ILE CG1 C 29.14 0.20 1 75 1401 5 ILE CG2 C 17.57 0.20 1 76 1401 5 ILE CD1 C 12.81 0.20 1 77 1401 5 ILE N N 124.87 0.20 1 78 1402 6 LYS H H 7.78 0.02 1 79 1402 6 LYS HA H 3.99 0.02 1 80 1402 6 LYS HB2 H 1.68 0.02 2 81 1402 6 LYS HB3 H 1.86 0.02 2 82 1402 6 LYS HG2 H 0.82 0.02 2 83 1402 6 LYS HG3 H 1.41 0.02 2 84 1402 6 LYS HD2 H 1.68 0.02 2 85 1402 6 LYS HD3 H 1.86 0.02 2 86 1402 6 LYS HE2 H 2.97 0.02 2 87 1402 6 LYS HE3 H 2.98 0.02 2 88 1402 6 LYS CA C 55.67 0.20 1 89 1402 6 LYS CB C 33.31 0.20 1 90 1402 6 LYS CG C 23.70 0.20 1 91 1402 6 LYS CD C 29.172 0.20 1 92 1402 6 LYS CE C 41.93 0.20 1 93 1402 6 LYS N N 119.58 0.20 1 94 1403 7 LYS H H 8.28 0.02 1 95 1403 7 LYS HA H 4.24 0.02 1 96 1403 7 LYS HB2 H 1.73 0.02 2 97 1403 7 LYS HB3 H 1.67 0.02 2 98 1403 7 LYS HG2 H 1.33 0.02 2 99 1403 7 LYS HG3 H 1.38 0.02 2 100 1403 7 LYS HD2 H 1.62 0.02 2 101 1403 7 LYS HD3 H 1.66 0.02 2 102 1403 7 LYS HE2 H 2.93 0.02 2 103 1403 7 LYS HE3 H 2.93 0.02 2 104 1403 7 LYS CA C 56.20 0.20 1 105 1403 7 LYS CB C 33.27 0.20 1 106 1403 7 LYS CG C 24.93 0.20 1 107 1403 7 LYS CD C 26.98 0.20 1 108 1403 7 LYS CE C 42.12 0.20 1 109 1403 7 LYS N N 123.17 0.20 1 110 1404 8 LYS H H 8.35 0.02 1 111 1404 8 LYS HA H 4.27 0.02 1 112 1404 8 LYS HB2 H 1.39 0.02 2 113 1404 8 LYS HB3 H 1.74 0.02 2 114 1404 8 LYS HG2 H 1.33 0.02 2 115 1404 8 LYS HG3 H 1.39 0.02 2 116 1404 8 LYS HD2 H 1.63 0.02 2 117 1404 8 LYS HD3 H 1.67 0.02 2 118 1404 8 LYS HE2 H 2.93 0.02 2 119 1404 8 LYS HE3 H 2.93 0.02 2 120 1404 8 LYS CA C 58.83 0.20 1 121 1404 8 LYS CB C 33.25 0.20 1 122 1404 8 LYS CG C 24.90 0.20 1 123 1404 8 LYS CD C 29.15 0.20 1 124 1404 8 LYS CE C 42.13 0.20 1 125 1404 8 LYS N N 123.85 0.20 1 126 1405 9 LYS H H 8.41 0.02 1 127 1405 9 LYS HA H 4.27 0.02 1 128 1405 9 LYS HB2 H 1.67 0.02 2 129 1405 9 LYS HB3 H 1.73 0.02 2 130 1405 9 LYS HG2 H 1.34 0.02 2 131 1405 9 LYS HG3 H 1.34 0.02 2 132 1405 9 LYS HD2 H 1.40 0.02 2 133 1405 9 LYS HD3 H 1.65 0.02 2 134 1405 9 LYS HE2 H 2.93 0.02 2 135 1405 9 LYS HE3 H 2.93 0.02 2 136 1405 9 LYS CA C 56.23 0.20 1 137 1405 9 LYS CB C 33.25 0.20 1 138 1405 9 LYS CG C 24.97 0.20 1 139 1405 9 LYS CD C 27.08 0.20 1 140 1405 9 LYS CE C 42.09 0.20 1 141 1405 9 LYS N N 123.88 0.20 1 142 1406 10 LEU H H 8.22 0.02 1 143 1406 10 LEU HA H 4.53 0.02 1 144 1406 10 LEU HB2 H 1.55 0.02 2 145 1406 10 LEU HB3 H 1.46 0.02 2 146 1406 10 LEU HG H 1.62 0.02 1 147 1406 10 LEU HD1 H 0.85 0.02 2 148 1406 10 LEU HD2 H 0.82 0.02 2 149 1406 10 LEU CA C 52.90 0.20 1 150 1406 10 LEU CB C 41.91 0.20 1 151 1406 10 LEU CG C 25.32 0.20 1 152 1406 10 LEU CD1 C 25.44 0.20 1 153 1406 10 LEU CD2 C 21.36 0.20 1 154 1406 10 LEU N N 124.97 0.20 1 155 1407 11 PRO HA H 4.38 0.02 1 156 1407 11 PRO HB2 H 1.83 0.02 2 157 1407 11 PRO HB3 H 2.24 0.02 2 158 1407 11 PRO HG2 H 1.87 0.02 2 159 1407 11 PRO HG3 H 1.91 0.02 2 160 1407 11 PRO HD2 H 3.44 0.02 2 161 1407 11 PRO HD3 H 4.38 0.02 2 162 1407 11 PRO CA C 63.07 0.20 1 163 1407 11 PRO CB C 32.09 0.20 1 164 1407 11 PRO CG C 27.46 0.20 1 165 1407 11 PRO CD C 50.36 0.20 1 166 1408 12 SER H H 8.32 0.02 1 167 1408 12 SER HA H 4.30 0.02 1 168 1408 12 SER HB2 H 3.78 0.02 2 169 1408 12 SER HB3 H 3.84 0.02 2 170 1408 12 SER CA C 58.87 0.20 1 171 1408 12 SER CB C 63.67 0.20 1 172 1408 12 SER N N 115.12 0.20 1 173 1409 13 SER H H 7.83 0.02 1 174 1409 13 SER HA H 4.34 0.02 1 175 1409 13 SER HB2 H 3.09 0.02 2 176 1409 13 SER HB3 H 4.34 0.02 2 177 1409 13 SER CA C 57.93 0.20 1 178 1409 13 SER CB C 59.92 0.20 1 179 1409 13 SER N N 115.80 0.20 1 180 1410 14 PHE H H 8.07 0.02 1 181 1410 14 PHE HA H 4.70 0.02 1 182 1410 14 PHE HB2 H 2.77 0.02 2 183 1410 14 PHE HB3 H 2.98 0.02 2 184 1410 14 PHE HD1 H 7.11 0.02 1 185 1410 14 PHE HD2 H 7.12 0.02 1 186 1410 14 PHE HE1 H 7.13 0.02 1 187 1410 14 PHE HE2 H 8.08 0.02 1 188 1410 14 PHE HZ H 7.13 0.02 1 189 1410 14 PHE CA C 55.55 0.20 1 190 1410 14 PHE CB C 39.20 0.20 1 191 1410 14 PHE CD1 C 129.59 0.20 1 192 1410 14 PHE CD2 C 131.79 0.20 1 193 1410 14 PHE CE1 C 131.22 0.20 1 194 1410 14 PHE CE2 C 131.71 0.20 1 195 1410 14 PHE CZ C 129.77 0.20 1 196 1410 14 PHE N N 120.34 0.20 1 197 1411 15 PRO HA H 4.33 0.02 1 198 1411 15 PRO HB2 H 1.81 0.02 2 199 1411 15 PRO HB3 H 2.19 0.02 2 200 1411 15 PRO HG2 H 1.87 0.02 2 201 1411 15 PRO HG3 H 1.88 0.02 2 202 1411 15 PRO HD2 H 3.34 0.02 2 203 1411 15 PRO HD3 H 4.33 0.02 2 204 1411 15 PRO CA C 63.01 0.20 1 205 1411 15 PRO CB C 31.98 0.20 1 206 1411 15 PRO CG C 27.46 0.20 1 207 1411 15 PRO CD C 50.64 0.20 1 208 1412 16 ALA H H 8.26 0.02 1 209 1412 16 ALA HA H 4.18 0.02 1 210 1412 16 ALA HB H 1.34 0.02 1 211 1412 16 ALA CA C 53.04 0.20 1 212 1412 16 ALA CB C 18.92 0.20 1 213 1412 16 ALA N N 124.10 0.20 1 214 1413 17 GLY H H 8.45 0.02 1 215 1413 17 GLY HA2 H 3.79 0.02 2 216 1413 17 GLY HA3 H 3.98 0.02 2 217 1413 17 GLY CA C 45.47 0.20 1 218 1413 17 GLY N N 108.48 0.20 1 219 1414 18 MET H H 7.79 0.02 1 220 1414 18 MET HA H 4.38 0.02 1 221 1414 18 MET HB2 H 1.92 0.02 2 222 1414 18 MET HB3 H 1.92 0.02 2 223 1414 18 MET HG2 H 2.36 0.02 2 224 1414 18 MET HG3 H 2.40 0.02 2 225 1414 18 MET HE H 0.63 0.02 1 226 1414 18 MET CA C 56.37 0.20 1 227 1414 18 MET CB C 33.69 0.20 1 228 1414 18 MET CG C 32.12 0.20 1 229 1414 18 MET CE C 17.150 0.20 1 230 1414 18 MET N N 119.52 0.20 1 231 1415 19 ASP H H 8.28 0.02 1 232 1415 19 ASP HA H 4.57 0.02 1 233 1415 19 ASP HB2 H 2.59 0.02 2 234 1415 19 ASP HB3 H 2.74 0.02 2 235 1415 19 ASP CA C 54.22 0.20 1 236 1415 19 ASP CB C 41.06 0.20 1 237 1415 19 ASP N N 123.65 0.20 1 238 1416 20 VAL H H 8.10 0.02 1 239 1416 20 VAL HA H 3.70 0.02 1 240 1416 20 VAL HB H 1.96 0.02 1 241 1416 20 VAL HG1 H 0.81 0.02 2 242 1416 20 VAL HG2 H 0.82 0.02 2 243 1416 20 VAL CA C 63.98 0.20 1 244 1416 20 VAL CB C 32.26 0.20 1 245 1416 20 VAL CG1 C 21.09 0.20 1 246 1416 20 VAL CG2 C 21.35 0.20 1 247 1416 20 VAL N N 122.27 0.20 1 248 1417 21 ASP H H 8.10 0.02 1 249 1417 21 ASP HA H 4.38 0.02 1 250 1417 21 ASP HB2 H 2.61 0.02 2 251 1417 21 ASP HB3 H 2.62 0.02 2 252 1417 21 ASP CA C 55.50 0.20 1 253 1417 21 ASP CB C 40.89 0.20 1 254 1417 21 ASP N N 120.95 0.20 1 255 1418 22 LYS H H 7.91 0.02 1 256 1418 22 LYS HA H 3.98 0.02 1 257 1418 22 LYS HB2 H 1.72 0.02 2 258 1418 22 LYS HB3 H 1.72 0.02 2 259 1418 22 LYS HG2 H 1.28 0.02 2 260 1418 22 LYS HG3 H 1.36 0.02 2 261 1418 22 LYS HD2 H 1.60 0.02 2 262 1418 22 LYS HD3 H 1.60 0.02 2 263 1418 22 LYS HE2 H 2.92 0.02 2 264 1418 22 LYS HE3 H 2.92 0.02 2 265 1418 22 LYS CA C 55.62 0.20 1 266 1418 22 LYS CB C 33.25 0.20 1 267 1418 22 LYS CG C 24.91 0.20 1 268 1418 22 LYS CD C 29.16 0.20 1 269 1418 22 LYS CE C 42.13 0.20 1 270 1418 22 LYS N N 119.97 0.20 1 271 1419 23 PHE H H 8.06 0.02 1 272 1419 23 PHE HA H 4.34 0.02 1 273 1419 23 PHE HB2 H 3.06 0.02 2 274 1419 23 PHE HB3 H 3.11 0.02 2 275 1419 23 PHE HD1 H 7.12 0.02 1 276 1419 23 PHE HD2 H 7.12 0.02 1 277 1419 23 PHE HE1 H 7.21 0.02 1 278 1419 23 PHE HE2 H 7.22 0.02 1 279 1419 23 PHE HZ H 7.13 0.02 1 280 1419 23 PHE CA C 57.93 0.20 1 281 1419 23 PHE CB C 39.15 0.20 1 282 1419 23 PHE CD1 C 131.64 0.20 1 283 1419 23 PHE CD2 C 131.88 0.20 1 284 1419 23 PHE CE1 C 129.94 0.20 1 285 1419 23 PHE CE2 C 131.47 0.20 1 286 1419 23 PHE CZ C 131.62 0.20 1 287 1419 23 PHE N N 122.40 0.20 1 288 1420 24 LEU H H 8.19 0.02 1 289 1420 24 LEU HA H 4.11 0.02 1 290 1420 24 LEU HB2 H 0.82 0.02 2 291 1420 24 LEU HB3 H 1.77 0.02 2 292 1420 24 LEU HG H 1.13 0.02 1 293 1420 24 LEU HD1 H 0.85 0.02 2 294 1420 24 LEU HD2 H 0.82 0.02 2 295 1420 24 LEU CA C 56.88 0.20 1 296 1420 24 LEU CB C 41.78 0.20 1 297 1420 24 LEU CG C 27.13 0.20 1 298 1420 24 LEU CD1 C 25.40 0.20 1 299 1420 24 LEU CD2 C 23.27 0.20 1 300 1420 24 LEU N N 120.49 0.20 1 301 1421 25 LEU H H 7.45 0.02 1 302 1421 25 LEU HA H 4.11 0.02 1 303 1421 25 LEU HB2 H 1.46 0.02 2 304 1421 25 LEU HB3 H 1.46 0.02 2 305 1421 25 LEU HG H 1.40 0.02 1 306 1421 25 LEU HD1 H 0.64 0.02 2 307 1421 25 LEU HD2 H 0.72 0.02 2 308 1421 25 LEU CA C 57.33 0.20 1 309 1421 25 LEU CB C 41.94 0.20 1 310 1421 25 LEU CG C 26.55 0.20 1 311 1421 25 LEU CD1 C 23.07 0.20 1 312 1421 25 LEU CD2 C 25.31 0.20 1 313 1421 25 LEU N N 122.07 0.20 1 314 1422 26 SER H H 7.76 0.02 1 315 1422 26 SER HA H 4.24 0.02 1 316 1422 26 SER HB2 H 3.83 0.02 2 317 1422 26 SER HB3 H 4.24 0.02 2 318 1422 26 SER CA C 59.34 0.20 1 319 1422 26 SER CB C 63.68 0.20 1 320 1422 26 SER N N 114.76 0.20 1 321 1423 27 LEU H H 7.45 0.02 1 322 1423 27 LEU HA H 4.11 0.02 1 323 1423 27 LEU HB2 H 1.27 0.02 2 324 1423 27 LEU HB3 H 1.46 0.02 2 325 1423 27 LEU HG H 1.27 0.02 1 326 1423 27 LEU HD1 H 0.64 0.02 2 327 1423 27 LEU HD2 H 0.72 0.02 2 328 1423 27 LEU CA C 55.32 0.20 1 329 1423 27 LEU CB C 42.02 0.20 1 330 1423 27 LEU CG C 24.97 0.20 1 331 1423 27 LEU CD1 C 23.07 0.20 1 332 1423 27 LEU CD2 C 25.25 0.20 1 333 1423 27 LEU N N 122.07 0.20 1 334 1424 28 HIS H H 7.97 0.02 1 335 1424 28 HIS HA H 4.55 0.02 1 336 1424 28 HIS HB2 H 3.03 0.02 2 337 1424 28 HIS HB3 H 3.12 0.02 2 338 1424 28 HIS HD2 H 7.07 0.02 1 339 1424 28 HIS HE1 H 8.35 0.02 1 340 1424 28 HIS CA C 55.35 0.20 1 341 1424 28 HIS CB C 29.20 0.20 1 342 1424 28 HIS CD2 C 120.14 0.20 1 343 1424 28 HIS CE1 C 136.71 0.20 1 344 1424 28 HIS N N 117.40 0.20 1 345 1425 29 TYR H H 8.00 0.02 1 346 1425 29 TYR HA H 4.51 0.02 1 347 1425 29 TYR HB2 H 2.84 0.02 2 348 1425 29 TYR HB3 H 3.00 0.02 2 349 1425 29 TYR HD1 H 7.04 0.02 1 350 1425 29 TYR HD2 H 7.04 0.02 1 351 1425 29 TYR HE1 H 6.74 0.02 1 352 1425 29 TYR HE2 H 6.74 0.02 1 353 1425 29 TYR CA C 57.99 0.20 1 354 1425 29 TYR CB C 39.07 0.20 1 355 1425 29 TYR CD1 C 133.16 0.20 1 356 1425 29 TYR CD2 C 133.16 0.20 1 357 1425 29 TYR CE1 C 118.26 0.20 1 358 1425 29 TYR CE2 C 118.26 0.20 1 359 1425 29 TYR N N 121.16 0.20 1 360 1426 30 ASP H H 8.30 0.02 1 361 1426 30 ASP HA H 4.57 0.02 1 362 1426 30 ASP HB2 H 2.48 0.02 2 363 1426 30 ASP HB3 H 2.64 0.02 2 364 1426 30 ASP CA C 54.22 0.20 1 365 1426 30 ASP CB C 41.38 0.20 1 366 1426 30 ASP N N 122.01 0.20 1 367 1427 31 GLU H H 7.68 0.02 1 368 1427 31 GLU HA H 4.05 0.02 1 369 1427 31 GLU HB2 H 1.83 0.02 2 370 1427 31 GLU HB3 H 1.99 0.02 2 371 1427 31 GLU HG2 H 2.15 0.02 2 372 1427 31 GLU HG3 H 2.15 0.02 2 373 1427 31 GLU CA C 57.97 0.20 1 374 1427 31 GLU CB C 31.36 0.20 1 375 1427 31 GLU CG C 36.59 0.20 1 376 1427 31 GLU N N 125.38 0.20 1 stop_ save_