data_17494 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Zinc knuckle in PRDM4 ; _BMRB_accession_number 17494 _BMRB_flat_file_name bmr17494.str _Entry_type original _Submission_date 2011-02-26 _Accession_date 2011-02-26 _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 Briknarova Klara . . 2 Atwater Daniel Z. . 3 Glicken Jessica M. . 4 Maynard Stacy J. . 5 Ness Tara E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 218 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 update BMRB 'update entry citation' 2011-06-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The PR/SET domain in PRDM4 is preceded by a zinc knuckle.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21604305 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Briknarova Klara . . 2 Atwater Daniel Z. . 3 Glicken Jessica M. . 4 Maynard Stacy J. . 5 Ness Tara E. . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 79 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2341 _Page_last 2345 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc knuckle in PRDM4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PRDM4(366-402) $PRDM4(366-402) 'ZINC ION' $ZN 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_PRDM4(366-402) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PRDM4(366-402) _Molecular_mass 4316.912 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 39 _Mol_residue_sequence ; GSKENMATLFTIWCTLCDRA YPSDCPEHGPVTFVPDTPI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 364 GLY 2 365 SER 3 366 LYS 4 367 GLU 5 368 ASN 6 369 MET 7 370 ALA 8 371 THR 9 372 LEU 10 373 PHE 11 374 THR 12 375 ILE 13 376 TRP 14 377 CYS 15 378 THR 16 379 LEU 17 380 CYS 18 381 ASP 19 382 ARG 20 383 ALA 21 384 TYR 22 385 PRO 23 386 SER 24 387 ASP 25 388 CYS 26 389 PRO 27 390 GLU 28 391 HIS 29 392 GLY 30 393 PRO 31 394 VAL 32 395 THR 33 396 PHE 34 397 VAL 35 398 PRO 36 399 ASP 37 400 THR 38 401 PRO 39 402 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L9Z "Zinc Knuckle In Prdm4" 100.00 39 100.00 100.00 5.63e-20 DBJ BAG10863 "PR domain zinc finger protein 4 [synthetic construct]" 97.44 801 97.37 100.00 1.69e-17 DBJ BAG51692 "unnamed protein product [Homo sapiens]" 97.44 801 97.37 100.00 1.65e-17 EMBL CAB61401 "hypothetical protein [Homo sapiens]" 97.44 725 97.37 100.00 1.79e-17 EMBL CAH92945 "hypothetical protein [Pongo abelii]" 97.44 801 97.37 100.00 1.72e-17 GB AAD55249 "PR-domain zinc-finger protein PFM1 [Homo sapiens]" 97.44 801 97.37 100.00 1.72e-17 GB AAH35581 "PR domain containing 4 [Homo sapiens]" 97.44 801 97.37 100.00 1.69e-17 GB ABM82163 "PR domain containing 4 [synthetic construct]" 97.44 801 97.37 100.00 1.69e-17 GB ABM85348 "PR domain containing 4 [synthetic construct]" 97.44 801 97.37 100.00 1.69e-17 GB AIC50813 "PRDM4, partial [synthetic construct]" 97.44 801 97.37 100.00 1.69e-17 REF NP_001126735 "PR domain zinc finger protein 4 [Pongo abelii]" 97.44 801 97.37 100.00 1.72e-17 REF NP_001244489 "PR domain zinc finger protein 4 [Macaca mulatta]" 97.44 801 97.37 100.00 1.80e-17 REF NP_036538 "PR domain zinc finger protein 4 [Homo sapiens]" 97.44 801 97.37 100.00 1.69e-17 REF XP_001162965 "PREDICTED: PR domain zinc finger protein 4 isoform X2 [Pan troglodytes]" 97.44 801 97.37 100.00 1.75e-17 REF XP_002807184 "PREDICTED: LOW QUALITY PROTEIN: PR domain zinc finger protein 4 [Callithrix jacchus]" 97.44 801 97.37 100.00 1.84e-17 SP Q5R5M1 "RecName: Full=PR domain zinc finger protein 4; AltName: Full=PR domain-containing protein 4" 97.44 801 97.37 100.00 1.72e-17 SP Q9UKN5 "RecName: Full=PR domain zinc finger protein 4; AltName: Full=PR domain-containing protein 4" 97.44 801 97.37 100.00 1.69e-17 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Mar 9 11:03:10 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PRDM4(366-402) Human 9606 Eukaryota Metazoa Homo sapiens 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 $PRDM4(366-402) 'recombinant technology' . Escherichia coli BL21-CodonPlus(DE3)-RIL pGEX-4T1 $ZN chemical . not applicable . 'not applicable' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_H2O_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PRDM4(366-402) 0.5 mM 'natural abundance' $ZN 2.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' d11-Tris 50 mM 'natural abundance' d16-TCEP 2.5 mM 'natural abundance' stop_ save_ save_D2O_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PRDM4(366-402) 0.5 mM 'natural abundance' $ZN 2.5 mM 'natural abundance' D2O 100 % 'natural abundance' d11-Tris 50 mM 'natural abundance' d16-TCEP 2.5 mM 'natural abundance' stop_ save_ save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PRDM4(366-402) 0.25 mM '[U-100% 15N]' $ZN 1.6 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' d11-Tris 50 mM 'natural abundance' d16-TCEP 2.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Felix NMR Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' processing stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $H2O_sample save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $H2O_sample save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $H2O_sample save_ save_ECOSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name ECOSY _Sample_label $D2O_sample save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_sample save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N_sample save_ save_3D_HNHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $15N_sample save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N_sample save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_sample save_ save_2D_1H-15N_HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC' _Sample_label $15N_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.15 0.1 pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.755 internal direct . . . 1.0 water N 15 protons ppm 4.73 internal 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_ _Experiment_label '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' ECOSY '2D 1H-15N HSQC' '3D HNHB' '2D 1H-15N HMQC' stop_ loop_ _Sample_label $H2O_sample $D2O_sample $15N_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PRDM4(366-402) _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 1 365 2 SER HA H 4.447 0.002 1 2 365 2 SER HB2 H 3.877 0.002 2 3 365 2 SER HB3 H 3.826 0.002 2 4 366 3 LYS HA H 4.248 0.002 1 5 366 3 LYS HB2 H 1.801 0.002 2 6 366 3 LYS HB3 H 1.722 0.002 2 7 366 3 LYS HG2 H 1.378 0.002 2 8 366 3 LYS HG3 H 1.378 0.002 2 9 366 3 LYS HD2 H 1.635 0.002 2 10 366 3 LYS HD3 H 1.635 0.002 2 11 366 3 LYS HE2 H 2.949 0.002 2 12 366 3 LYS HE3 H 2.949 0.002 2 13 367 4 GLU H H 8.392 0.002 1 14 367 4 GLU HA H 4.181 0.002 1 15 367 4 GLU HB2 H 1.893 0.002 1 16 367 4 GLU HB3 H 1.983 0.002 1 17 367 4 GLU HG2 H 2.218 0.002 2 18 367 4 GLU HG3 H 2.218 0.002 2 19 367 4 GLU N N 121.14 0.020 1 20 368 5 ASN H H 8.333 0.002 1 21 368 5 ASN HA H 4.627 0.002 1 22 368 5 ASN HB2 H 2.817 0.002 2 23 368 5 ASN HB3 H 2.712 0.002 2 24 368 5 ASN HD21 H 6.874 0.002 2 25 368 5 ASN HD22 H 7.555 0.002 2 26 368 5 ASN N N 119.20 0.020 1 27 368 5 ASN ND2 N 112.69 0.020 1 28 369 6 MET H H 8.210 0.002 1 29 369 6 MET HA H 4.401 0.002 1 30 369 6 MET HB2 H 1.963 0.002 1 31 369 6 MET HB3 H 2.074 0.002 1 32 369 6 MET HG2 H 2.575 0.002 2 33 369 6 MET HG3 H 2.488 0.002 2 34 369 6 MET HE H 2.055 0.002 1 35 369 6 MET N N 120.81 0.020 1 36 370 7 ALA H H 8.220 0.002 1 37 370 7 ALA HA H 4.281 0.002 1 38 370 7 ALA HB H 1.369 0.002 1 39 370 7 ALA N N 124.60 0.020 1 40 371 8 THR H H 7.953 0.002 1 41 371 8 THR HA H 4.219 0.002 1 42 371 8 THR HB H 4.112 0.002 1 43 371 8 THR HG2 H 1.107 0.002 1 44 371 8 THR N N 113.09 0.020 1 45 372 9 LEU H H 8.009 0.002 1 46 372 9 LEU HA H 4.279 0.002 1 47 372 9 LEU HB2 H 1.488 0.002 2 48 372 9 LEU HB3 H 1.413 0.002 2 49 372 9 LEU HG H 1.488 0.002 1 50 372 9 LEU HD1 H 0.781 0.002 2 51 372 9 LEU HD2 H 0.850 0.002 2 52 372 9 LEU N N 124.07 0.020 1 53 373 10 PHE H H 8.204 0.002 1 54 373 10 PHE HA H 4.665 0.002 1 55 373 10 PHE HB2 H 3.044 0.002 2 56 373 10 PHE HB3 H 2.988 0.002 2 57 373 10 PHE HD1 H 7.167 0.002 3 58 373 10 PHE HD2 H 7.167 0.002 3 59 373 10 PHE HE1 H 7.320 0.002 3 60 373 10 PHE HE2 H 7.320 0.002 3 61 373 10 PHE HZ H 7.270 0.002 1 62 373 10 PHE N N 121.47 0.020 1 63 374 11 THR H H 7.790 0.002 1 64 374 11 THR HA H 4.559 0.002 1 65 374 11 THR HB H 4.140 0.002 1 66 374 11 THR HG2 H 1.071 0.002 1 67 374 11 THR N N 113.60 0.020 1 68 375 12 ILE H H 8.791 0.002 1 69 375 12 ILE HA H 4.394 0.002 1 70 375 12 ILE HB H 1.920 0.002 1 71 375 12 ILE HG12 H 1.289 0.002 2 72 375 12 ILE HG13 H 1.143 0.002 2 73 375 12 ILE HG2 H 0.888 0.002 1 74 375 12 ILE HD1 H 0.761 0.002 1 75 375 12 ILE N N 122.60 0.020 1 76 376 13 TRP H H 8.951 0.002 1 77 376 13 TRP HA H 4.485 0.002 1 78 376 13 TRP HB2 H 3.155 0.002 2 79 376 13 TRP HB3 H 3.155 0.002 2 80 376 13 TRP HD1 H 6.858 0.002 1 81 376 13 TRP HE1 H 10.186 0.002 1 82 376 13 TRP HE3 H 7.369 0.002 1 83 376 13 TRP HZ2 H 7.418 0.002 1 84 376 13 TRP HZ3 H 6.962 0.002 1 85 376 13 TRP HH2 H 7.002 0.002 1 86 376 13 TRP N N 129.84 0.020 1 87 376 13 TRP NE1 N 128.67 0.020 1 88 377 14 CYS H H 8.263 0.002 1 89 377 14 CYS HA H 4.788 0.002 1 90 377 14 CYS HB2 H 3.004 0.002 1 91 377 14 CYS HB3 H 3.234 0.002 1 92 377 14 CYS N N 129.76 0.020 1 93 378 15 THR H H 8.932 0.002 1 94 378 15 THR HA H 4.214 0.002 1 95 378 15 THR HB H 4.274 0.002 1 96 378 15 THR HG2 H 1.413 0.002 1 97 378 15 THR N N 123.74 0.020 1 98 379 16 LEU H H 7.741 0.002 1 99 379 16 LEU HA H 4.118 0.002 1 100 379 16 LEU HB2 H 0.542 0.002 1 101 379 16 LEU HB3 H 0.699 0.002 1 102 379 16 LEU HG H 1.375 0.002 1 103 379 16 LEU HD1 H 0.549 0.002 2 104 379 16 LEU HD2 H 0.659 0.002 2 105 379 16 LEU N N 123.17 0.020 1 106 380 17 CYS H H 8.420 0.002 1 107 380 17 CYS HA H 4.182 0.002 1 108 380 17 CYS HB2 H 3.023 0.002 2 109 380 17 CYS HB3 H 2.732 0.002 2 110 380 17 CYS N N 120.51 0.020 1 111 381 18 ASP H H 8.176 0.002 1 112 381 18 ASP HA H 4.183 0.002 1 113 381 18 ASP HB2 H 2.326 0.002 1 114 381 18 ASP HB3 H 3.205 0.002 1 115 381 18 ASP N N 120.72 0.020 1 116 382 19 ARG H H 6.512 0.002 1 117 382 19 ARG HA H 3.635 0.002 1 118 382 19 ARG HB2 H 1.271 0.002 1 119 382 19 ARG HB3 H 1.539 0.002 1 120 382 19 ARG HG2 H 1.156 0.002 2 121 382 19 ARG HG3 H 0.757 0.002 2 122 382 19 ARG HD2 H 2.857 0.002 2 123 382 19 ARG HD3 H 2.945 0.002 2 124 382 19 ARG HE H 6.271 0.002 1 125 382 19 ARG N N 111.78 0.020 1 126 382 19 ARG NE N 84.63 0.020 1 127 383 20 ALA H H 7.809 0.002 1 128 383 20 ALA HA H 4.971 0.002 1 129 383 20 ALA HB H 1.290 0.002 1 130 383 20 ALA N N 121.33 0.020 1 131 384 21 TYR H H 8.726 0.002 1 132 384 21 TYR HA H 4.748 0.002 1 133 384 21 TYR HB2 H 3.224 0.002 2 134 384 21 TYR HB3 H 2.792 0.002 2 135 384 21 TYR HD1 H 7.074 0.002 3 136 384 21 TYR HD2 H 7.074 0.002 3 137 384 21 TYR HE1 H 6.371 0.002 3 138 384 21 TYR HE2 H 6.371 0.002 3 139 384 21 TYR N N 118.96 0.020 1 140 385 22 PRO HA H 4.707 0.002 1 141 385 22 PRO HB2 H 2.230 0.002 2 142 385 22 PRO HB3 H 2.042 0.002 2 143 385 22 PRO HG2 H 2.013 0.002 2 144 385 22 PRO HG3 H 2.013 0.002 2 145 385 22 PRO HD2 H 3.939 0.002 2 146 385 22 PRO HD3 H 3.542 0.002 2 147 386 23 SER H H 7.440 0.002 1 148 386 23 SER HA H 4.342 0.002 1 149 386 23 SER HB2 H 3.905 0.002 2 150 386 23 SER HB3 H 3.774 0.002 2 151 386 23 SER N N 112.56 0.020 1 152 387 24 ASP H H 7.990 0.002 1 153 387 24 ASP HA H 4.244 0.002 1 154 387 24 ASP HB2 H 2.248 0.002 1 155 387 24 ASP HB3 H 2.178 0.002 1 156 387 24 ASP N N 117.14 0.020 1 157 388 25 CYS H H 8.495 0.002 1 158 388 25 CYS HA H 3.374 0.002 1 159 388 25 CYS HB2 H 2.734 0.002 1 160 388 25 CYS HB3 H 2.865 0.002 1 161 388 25 CYS N N 126.57 0.020 1 162 389 26 PRO HA H 4.127 0.002 1 163 389 26 PRO HB2 H 2.143 0.002 2 164 389 26 PRO HB3 H 1.824 0.002 2 165 389 26 PRO HG2 H 1.824 0.002 2 166 389 26 PRO HG3 H 1.824 0.002 2 167 389 26 PRO HD2 H 3.063 0.002 2 168 389 26 PRO HD3 H 3.063 0.002 2 169 390 27 GLU H H 8.259 0.002 1 170 390 27 GLU HA H 4.058 0.002 1 171 390 27 GLU HB2 H 1.223 0.002 2 172 390 27 GLU HB3 H 1.096 0.002 2 173 390 27 GLU HG2 H 1.687 0.002 2 174 390 27 GLU HG3 H 1.577 0.002 2 175 390 27 GLU N N 120.23 0.020 1 176 391 28 HIS H H 9.352 0.002 1 177 391 28 HIS HA H 4.529 0.002 1 178 391 28 HIS HB2 H 3.001 0.002 1 179 391 28 HIS HB3 H 3.352 0.002 1 180 391 28 HIS HD2 H 7.222 0.002 1 181 391 28 HIS HE1 H 7.979 0.002 1 182 391 28 HIS N N 119.63 0.020 1 183 391 28 HIS ND1 N 224.61 0.020 1 184 391 28 HIS NE2 N 169.89 0.020 1 185 392 29 GLY H H 8.115 0.002 1 186 392 29 GLY HA2 H 4.096 0.002 2 187 392 29 GLY HA3 H 3.949 0.002 2 188 392 29 GLY N N 109.75 0.020 1 189 393 30 PRO HA H 4.425 0.002 1 190 393 30 PRO HB2 H 2.233 0.002 2 191 393 30 PRO HB3 H 1.839 0.002 2 192 393 30 PRO HG2 H 1.947 0.002 2 193 393 30 PRO HG3 H 1.947 0.002 2 194 393 30 PRO HD2 H 3.574 0.002 2 195 393 30 PRO HD3 H 3.517 0.002 2 196 394 31 VAL H H 8.293 0.002 1 197 394 31 VAL HA H 4.125 0.002 1 198 394 31 VAL HB H 2.066 0.002 1 199 394 31 VAL HG1 H 0.910 0.002 2 200 394 31 VAL HG2 H 0.988 0.002 2 201 394 31 VAL N N 121.18 0.020 1 202 395 32 THR H H 8.206 0.002 1 203 395 32 THR HA H 4.313 0.002 1 204 395 32 THR HB H 4.093 0.002 1 205 395 32 THR HG2 H 1.131 0.002 1 206 395 32 THR N N 118.78 0.020 1 207 396 33 PHE H H 8.267 0.002 1 208 396 33 PHE HA H 4.637 0.002 1 209 396 33 PHE HB2 H 3.030 0.002 2 210 396 33 PHE HB3 H 2.993 0.002 2 211 396 33 PHE HD1 H 7.182 0.002 3 212 396 33 PHE HD2 H 7.182 0.002 3 213 396 33 PHE HE1 H 7.301 0.002 3 214 396 33 PHE HE2 H 7.301 0.002 3 215 396 33 PHE HZ H 7.274 0.002 1 216 396 33 PHE N N 124.15 0.020 1 217 397 34 VAL H H 8.100 0.002 1 218 397 34 VAL HA H 4.287 0.002 1 219 397 34 VAL HB H 1.913 0.002 1 220 397 34 VAL HG1 H 0.853 0.002 2 221 397 34 VAL HG2 H 0.883 0.002 2 222 397 34 VAL N N 126.40 0.020 1 223 398 35 PRO HA H 4.282 0.002 1 224 398 35 PRO HB2 H 2.284 0.002 2 225 398 35 PRO HB3 H 1.915 0.002 2 226 398 35 PRO HG2 H 1.960 0.002 2 227 398 35 PRO HG3 H 1.960 0.002 2 228 398 35 PRO HD2 H 3.618 0.002 2 229 398 35 PRO HD3 H 3.618 0.002 2 230 399 36 ASP H H 8.387 0.002 1 231 399 36 ASP HA H 4.523 0.002 1 232 399 36 ASP HB2 H 2.643 0.002 2 233 399 36 ASP HB3 H 2.571 0.002 2 234 399 36 ASP N N 120.66 0.020 1 235 400 37 THR H H 7.993 0.002 1 236 400 37 THR HA H 4.542 0.002 1 237 400 37 THR HB H 4.076 0.002 1 238 400 37 THR HG2 H 1.197 0.002 1 239 400 37 THR N N 116.68 0.020 1 240 401 38 PRO HA H 4.403 0.002 1 241 401 38 PRO HB2 H 2.244 0.002 2 242 401 38 PRO HB3 H 1.912 0.002 2 243 401 38 PRO HG2 H 2.003 0.002 2 244 401 38 PRO HG3 H 1.937 0.002 2 245 401 38 PRO HD2 H 3.799 0.002 2 246 401 38 PRO HD3 H 3.663 0.002 2 247 402 39 ILE H H 7.744 0.002 1 248 402 39 ILE HA H 4.022 0.002 1 249 402 39 ILE HB H 1.788 0.002 1 250 402 39 ILE HG12 H 1.400 0.002 2 251 402 39 ILE HG13 H 1.129 0.002 2 252 402 39 ILE HG2 H 0.869 0.002 1 253 402 39 ILE HD1 H 0.839 0.002 1 254 402 39 ILE N N 125.62 0.020 1 stop_ save_