data_6690 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Partial 1H, 13C, and 15N Chemical Shift Assignments for PSI AB box region in complex with U1-70k protein proline-rich peptide ; _BMRB_accession_number 6690 _BMRB_flat_file_name bmr6690.str _Entry_type original _Submission_date 2005-06-15 _Accession_date 2005-06-15 _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 Ignjatovic Tijana . . 2 Yang Ji-Chun . . 3 Butler Jonathan . . 4 Neuhaus David . . 5 Nagai Kiyoshi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 228 "13C chemical shifts" 128 "15N chemical shifts" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-26 original author . stop_ _Original_release_date 2007-01-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of the Interaction Between P-element Somatic Inhibitor and U1-70k Essential for the Alternative Splicing of P-element Transposase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15990112 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ignjatovic Tijana . . 2 Yang Ji-Chun . . 3 Butler Jonathan . . 4 Neuhaus David . . 5 Nagai Kiyoshi . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 351 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 52 _Page_last 65 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PSI AB complex with U1-70k proline-rich peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PSI AB box' $PSI_AB_box 'U1-70k proline-rich peptide' $U1-70k_peptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'PSI AB box' 2 'U1-70k proline-rich peptide' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PSI_AB_box _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PSI AB box' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; SDYSAQWIEYYKQMGSHREA EMIEQQMKAKQAGGSSGPVQ QQQPQQQQQSQQQTGGAGAG GADYSAQWAEYYRSVGKIEE AEAIEKTLKNKQN ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 TYR 4 SER 5 ALA 6 GLN 7 TRP 8 ILE 9 GLU 10 TYR 11 TYR 12 LYS 13 GLN 14 MET 15 GLY 16 SER 17 HIS 18 ARG 19 GLU 20 ALA 21 GLU 22 MET 23 ILE 24 GLU 25 GLN 26 GLN 27 MET 28 LYS 29 ALA 30 LYS 31 GLN 32 ALA 33 GLY 34 GLY 35 SER 36 SER 37 GLY 38 PRO 39 VAL 40 GLN 41 GLN 42 GLN 43 GLN 44 PRO 45 GLN 46 GLN 47 GLN 48 GLN 49 GLN 50 SER 51 GLN 52 GLN 53 GLN 54 THR 55 GLY 56 GLY 57 ALA 58 GLY 59 ALA 60 GLY 61 GLY 62 ALA 63 ASP 64 TYR 65 SER 66 ALA 67 GLN 68 TRP 69 ALA 70 GLU 71 TYR 72 TYR 73 ARG 74 SER 75 VAL 76 GLY 77 LYS 78 ILE 79 GLU 80 GLU 81 ALA 82 GLU 83 ALA 84 ILE 85 GLU 86 LYS 87 THR 88 LEU 89 LYS 90 ASN 91 LYS 92 GLN 93 ASN 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 2BN5 "P-Element Somatic Inhibitor Protein Complex With U1-70k Proline-Rich Peptide" 100.00 21 100.00 100.00 2.14e-04 GB AAA28859 "U1 70K small nuclear ribonucleoprotein, (first expressed exon) [Drosophila melanogaster]" 100.00 448 100.00 100.00 8.78e-05 GB AAF52471 "small ribonucleoprotein particle U1 subunit 70K, isoform A [Drosophila melanogaster]" 100.00 448 100.00 100.00 8.78e-05 GB AAL29049 "LD46049p [Drosophila melanogaster]" 100.00 448 100.00 100.00 8.78e-05 GB AAL90360 "RE35772p [Drosophila melanogaster]" 100.00 448 100.00 100.00 8.78e-05 GB ACL85981 "snRNP70K-PA, partial [synthetic construct]" 100.00 448 100.00 100.00 8.78e-05 REF NP_001260173 "small ribonucleoprotein particle U1 subunit 70K, isoform C [Drosophila melanogaster]" 100.00 448 100.00 100.00 8.78e-05 REF NP_477205 "small ribonucleoprotein particle U1 subunit 70K, isoform A [Drosophila melanogaster]" 100.00 448 100.00 100.00 8.78e-05 REF XP_001962392 "GF14460 [Drosophila ananassae]" 100.00 453 100.00 100.00 7.65e-05 REF XP_001970105 "GG23559 [Drosophila erecta]" 100.00 448 100.00 100.00 3.96e-05 REF XP_002036020 "GM13669 [Drosophila sechellia]" 100.00 448 100.00 100.00 8.61e-05 SP P17133 "RecName: Full=U1 small nuclear ribonucleoprotein 70 kDa; Short=U1 snRNP 70 kDa; Short=U1-70K; Short=snRNP70 [Drosophila melanog" 100.00 448 100.00 100.00 8.78e-05 stop_ save_ save_U1-70k_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'U1-70k peptide' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; RPPPAHHNMFSVPPPPILGR G ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 PRO 3 PRO 4 PRO 5 ALA 6 HIS 7 HIS 8 ASN 9 MET 10 PHE 11 SER 12 VAL 13 PRO 14 PRO 15 PRO 16 PRO 17 ILE 18 LEU 19 GLY 20 ARG 21 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PSI_AB_box 'fruit fly' 7227 Eukaryota Protista Drosophila melanogaster $U1-70k_peptide 'fruit fly' 7227 Eukaryota Protista Drosophila melanogaster 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 $PSI_AB_box 'recombinant technology' 'Escherischia coli' . . . . $U1-70k_peptide 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N labelled complex' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PSI_AB_box . mM 0.4 0.42 [U-15N] $U1-70k_peptide . mM 0.4 0.42 . 'sodium phosphate' 10 mM . . . 'sodium chloride' 150 mM . . . DTT 5 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N, 13C labelled complex' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PSI_AB_box . mM 0.4 0.45 '[U-13C; U-15N]' $U1-70k_peptide . mM 0.4 0.45 . 'sodium phosphate' 10 mM . . . 'sodium chloride' 150 mM . . . DTT 5 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Saveframe_category software _Name xwinnmr _Version 3.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_500 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_2D_15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HSQC' _Sample_label $sample_1 save_ save_2D_13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_CBCANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHANH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_2 save_ save_3D_HCCH_COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _Sample_label $sample_2 save_ save_3D_HCCH_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _Sample_label $sample_2 save_ save_3D_15N_NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_13C_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC' _Sample_label $sample_2 save_ save_2D_(13C,_15N)_Filtered_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (13C, 15N) Filtered NOESY' _Sample_label $sample_2 save_ save_3D_(13C,_15N)_Filtered_13C_HSQC_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (13C, 15N) Filtered 13C HSQC NOESY' _Sample_label $sample_2 save_ save_2D_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CBCANH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HBHA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HBHANH _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH_COSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_(13C_15N)_Filtered_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '2D (13C, 15N) Filtered NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_(13C_15N)_Filtered_13C_HSQC_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D (13C, 15N) Filtered 13C HSQC NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 290 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'PSI AB box' _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 18 8 ILE H H 7.860 0.01 1 2 18 8 ILE CA C 63.969 0.2 1 3 18 8 ILE N N 120.235 0.2 1 4 19 9 GLU HA H 3.998 0.01 1 5 19 9 GLU HB2 H 1.975 0.01 2 6 20 10 TYR H H 7.938 0.01 1 7 20 10 TYR CA C 60.889 0.2 1 8 20 10 TYR CB C 38.301 0.2 1 9 20 10 TYR N N 120.884 0.2 1 10 21 11 TYR H H 8.151 0.01 1 11 21 11 TYR CA C 60.486 0.2 1 12 21 11 TYR N N 118.875 0.2 1 13 22 12 LYS H H 8.028 0.01 1 14 22 12 LYS CA C 58.731 0.2 1 15 22 12 LYS N N 120.763 0.2 1 16 23 13 GLN H H 8.098 0.01 1 17 23 13 GLN HA H 4.052 0.01 1 18 23 13 GLN HB2 H 1.995 0.01 2 19 23 13 GLN CA C 57.718 0.2 1 20 23 13 GLN CB C 32.488 0.2 1 21 23 13 GLN N N 119.116 0.2 1 22 24 14 MET H H 7.856 0.01 1 23 24 14 MET CA C 56.026 0.2 1 24 24 14 MET N N 117.606 0.2 1 25 25 15 GLY H H 8.011 0.01 1 26 25 15 GLY CA C 45.698 0.2 1 27 25 15 GLY N N 108.578 0.2 1 28 26 16 SER H H 8.105 0.01 1 29 26 16 SER CA C 58.575 0.2 1 30 26 16 SER N N 115.843 0.2 1 31 27 17 HIS H H 8.154 0.01 1 32 27 17 HIS N N 120.044 0.2 1 33 28 18 ARG H H 8.241 0.01 1 34 28 18 ARG CA C 57.123 0.2 1 35 28 18 ARG N N 121.096 0.2 1 36 29 19 GLU H H 8.323 0.01 1 37 29 19 GLU CA C 58.544 0.2 1 38 29 19 GLU N N 121.122 0.2 1 39 30 20 ALA H H 8.097 0.01 1 40 30 20 ALA CA C 54.368 0.2 1 41 30 20 ALA N N 122.303 0.2 1 42 31 21 GLU H H 8.153 0.01 1 43 31 21 GLU CA C 58.271 0.2 1 44 31 21 GLU N N 118.611 0.2 1 45 32 22 MET H H 8.025 0.01 1 46 32 22 MET CA C 57.438 0.2 1 47 32 22 MET N N 119.820 0.2 1 48 33 23 ILE H H 7.948 0.01 1 49 33 23 ILE CA C 63.386 0.2 1 50 33 23 ILE N N 121.205 0.2 1 51 34 24 GLU H H 8.179 0.01 1 52 34 24 GLU CA C 54.252 0.2 1 53 34 24 GLU N N 121.818 0.2 1 54 35 25 GLN H H 8.209 0.01 1 55 35 25 GLN CA C 57.994 0.2 1 56 35 25 GLN N N 118.662 0.2 1 57 36 26 GLN H H 8.113 0.01 1 58 36 26 GLN CA C 57.817 0.2 1 59 36 26 GLN N N 120.023 0.2 1 60 37 27 MET H H 8.215 0.01 1 61 37 27 MET CA C 57.176 0.2 1 62 37 27 MET N N 119.690 0.2 1 63 38 28 LYS H H 8.005 0.01 1 64 38 28 LYS CA C 57.878 0.2 1 65 38 28 LYS CB C 32.422 0.2 1 66 38 28 LYS N N 120.609 0.2 1 67 39 29 ALA H H 7.919 0.01 1 68 39 29 ALA CA C 53.412 0.2 1 69 39 29 ALA CB C 18.574 0.2 1 70 39 29 ALA N N 122.784 0.2 1 71 40 30 LYS H H 7.940 0.01 1 72 40 30 LYS CA C 57.088 0.2 1 73 40 30 LYS CB C 32.683 0.2 1 74 40 30 LYS N N 119.239 0.2 1 75 41 31 GLN H H 8.074 0.01 1 76 41 31 GLN CA C 56.154 0.2 1 77 41 31 GLN CB C 29.040 0.2 1 78 41 31 GLN N N 120.191 0.2 1 79 42 32 ALA H H 8.193 0.01 1 80 42 32 ALA CA C 52.837 0.2 1 81 42 32 ALA CB C 18.972 0.2 1 82 42 32 ALA N N 124.505 0.2 1 83 43 33 GLY H H 8.273 0.01 1 84 43 33 GLY N N 107.968 0.2 1 85 44 34 GLY H H 8.215 0.01 1 86 44 34 GLY N N 108.751 0.2 1 87 71 61 GLY H H 8.147 0.01 1 88 71 61 GLY HA2 H 3.903 0.01 1 89 71 61 GLY HA3 H 3.903 0.01 1 90 71 61 GLY CA C 44.956 0.2 1 91 71 61 GLY N N 123.800 0.2 1 92 72 62 ALA H H 8.160 0.01 1 93 72 62 ALA HA H 4.155 0.01 1 94 72 62 ALA HB H 1.194 0.01 1 95 72 62 ALA CA C 52.199 0.2 1 96 72 62 ALA CB C 19.955 0.2 1 97 72 62 ALA N N 123.737 0.2 1 98 73 63 ASP H H 8.042 0.01 1 99 73 63 ASP HA H 4.641 0.01 1 100 73 63 ASP HB2 H 2.569 0.01 2 101 73 63 ASP HB3 H 2.673 0.01 2 102 73 63 ASP CA C 53.800 0.2 1 103 73 63 ASP CB C 42.491 0.2 1 104 73 63 ASP N N 118.695 0.2 1 105 74 64 TYR H H 8.904 0.01 1 106 74 64 TYR HA H 5.065 0.01 1 107 74 64 TYR HB2 H 2.899 0.01 2 108 74 64 TYR HB3 H 3.494 0.01 2 109 74 64 TYR HD1 H 6.901 0.01 1 110 74 64 TYR HD2 H 6.901 0.01 1 111 74 64 TYR HE1 H 6.712 0.01 1 112 74 64 TYR CA C 58.000 0.2 1 113 74 64 TYR CB C 38.202 0.2 1 114 74 64 TYR CD1 C 133.047 0.2 1 115 74 64 TYR CD2 C 133.047 0.2 1 116 74 64 TYR CE1 C 118.149 0.2 1 117 74 64 TYR CE2 C 118.149 0.2 1 118 74 64 TYR N N 122.600 0.2 1 119 75 65 SER H H 8.784 0.01 1 120 75 65 SER HA H 3.752 0.01 1 121 75 65 SER HB2 H 3.556 0.01 2 122 75 65 SER HB3 H 3.758 0.01 2 123 75 65 SER CA C 64.858 0.2 1 124 75 65 SER CB C 62.778 0.2 1 125 75 65 SER N N 120.113 0.2 1 126 76 66 ALA H H 8.889 0.01 1 127 76 66 ALA HA H 3.894 0.01 1 128 76 66 ALA HB H 1.346 0.01 1 129 76 66 ALA CA C 55.700 0.2 1 130 76 66 ALA CB C 17.700 0.2 1 131 76 66 ALA N N 123.000 0.2 1 132 77 67 GLN H H 8.245 0.01 1 133 77 67 GLN HA H 4.070 0.01 1 134 77 67 GLN HB2 H 1.897 0.01 2 135 77 67 GLN HB3 H 2.265 0.01 2 136 77 67 GLN HG2 H 2.463 0.01 2 137 77 67 GLN HG3 H 2.629 0.01 2 138 77 67 GLN CA C 60.000 0.2 1 139 77 67 GLN CB C 27.295 0.2 1 140 77 67 GLN CG C 35.198 0.2 1 141 77 67 GLN N N 118.805 0.2 1 142 78 68 TRP H H 8.801 0.01 1 143 78 68 TRP HA H 3.795 0.01 1 144 78 68 TRP HB2 H 2.704 0.01 2 145 78 68 TRP HB3 H 2.925 0.01 2 146 78 68 TRP HE3 H 6.849 0.01 1 147 78 68 TRP HZ2 H 7.098 0.01 1 148 78 68 TRP HZ3 H 6.898 0.01 1 149 78 68 TRP HH2 H 7.026 0.01 1 150 78 68 TRP CA C 62.230 0.2 1 151 78 68 TRP CB C 27.803 0.2 1 152 78 68 TRP CE3 C 120.280 0.2 1 153 78 68 TRP CZ2 C 114.530 0.2 1 154 78 68 TRP CZ3 C 122.590 0.2 1 155 78 68 TRP CH2 C 124.287 0.2 1 156 78 68 TRP N N 123.302 0.2 1 157 79 69 ALA H H 8.278 0.01 1 158 79 69 ALA HA H 4.177 0.01 1 159 79 69 ALA HB H 1.637 0.01 1 160 79 69 ALA CA C 56.900 0.2 1 161 79 69 ALA CB C 17.380 0.2 1 162 79 69 ALA N N 121.927 0.2 1 163 80 70 GLU H H 7.409 0.01 1 164 80 70 GLU HA H 3.921 0.01 1 165 80 70 GLU HB2 H 2.045 0.01 2 166 80 70 GLU HG2 H 2.159 0.01 2 167 80 70 GLU HG3 H 2.346 0.01 2 168 80 70 GLU CA C 59.407 0.2 1 169 80 70 GLU CG C 36.252 0.2 1 170 80 70 GLU N N 116.630 0.2 1 171 81 71 TYR H H 8.273 0.01 1 172 81 71 TYR HA H 3.940 0.01 1 173 81 71 TYR HB2 H 2.657 0.01 2 174 81 71 TYR HD1 H 6.511 0.01 1 175 81 71 TYR HD2 H 6.511 0.01 1 176 81 71 TYR HE1 H 6.576 0.01 1 177 81 71 TYR HE2 H 6.576 0.01 1 178 81 71 TYR CA C 61.340 0.2 1 179 81 71 TYR CB C 37.779 0.2 1 180 81 71 TYR CD1 C 133.228 0.2 1 181 81 71 TYR CD2 C 133.228 0.2 1 182 81 71 TYR CE1 C 117.838 0.2 1 183 81 71 TYR CE2 C 117.838 0.2 1 184 81 71 TYR N N 122.306 0.2 1 185 82 72 TYR H H 9.309 0.01 1 186 82 72 TYR HA H 4.288 0.01 1 187 82 72 TYR HB2 H 2.968 0.01 2 188 82 72 TYR HB3 H 3.774 0.01 2 189 82 72 TYR HD1 H 6.935 0.01 1 190 82 72 TYR HD2 H 6.935 0.01 1 191 82 72 TYR HE1 H 7.061 0.01 1 192 82 72 TYR CA C 59.458 0.2 1 193 82 72 TYR CB C 36.100 0.2 1 194 82 72 TYR CD1 C 132.258 0.2 1 195 82 72 TYR CD2 C 132.258 0.2 1 196 82 72 TYR CE1 C 118.314 0.2 1 197 82 72 TYR CE2 C 118.314 0.2 1 198 82 72 TYR N N 121.100 0.2 1 199 83 73 ARG H H 8.318 0.01 1 200 83 73 ARG HA H 3.648 0.01 1 201 83 73 ARG HB2 H 1.749 0.01 1 202 83 73 ARG HD2 H 2.989 0.01 2 203 83 73 ARG HD3 H 3.125 0.01 2 204 83 73 ARG CA C 61.160 0.2 1 205 83 73 ARG CB C 29.591 0.2 1 206 83 73 ARG CD C 42.598 0.2 1 207 83 73 ARG N N 119.002 0.2 1 208 84 74 SER H H 7.975 0.01 1 209 84 74 SER HA H 4.225 0.01 1 210 84 74 SER HB2 H 3.869 0.01 2 211 84 74 SER HB3 H 3.986 0.01 2 212 84 74 SER CA C 61.700 0.2 1 213 84 74 SER CB C 62.998 0.2 1 214 84 74 SER N N 117.799 0.2 1 215 85 75 VAL H H 7.127 0.01 1 216 85 75 VAL HA H 4.566 0.01 1 217 85 75 VAL HB H 2.451 0.01 1 218 85 75 VAL HG1 H 0.602 0.01 2 219 85 75 VAL HG2 H 0.731 0.01 2 220 85 75 VAL CA C 60.703 0.2 1 221 85 75 VAL CB C 31.093 0.2 1 222 85 75 VAL CG1 C 21.000 0.2 2 223 85 75 VAL CG2 C 18.213 0.2 2 224 85 75 VAL N N 112.200 0.2 1 225 86 76 GLY H H 7.598 0.01 1 226 86 76 GLY HA2 H 3.655 0.01 2 227 86 76 GLY HA3 H 4.189 0.01 2 228 86 76 GLY CA C 46.200 0.2 1 229 86 76 GLY N N 109.206 0.2 1 230 87 77 LYS H H 8.442 0.01 1 231 87 77 LYS HA H 4.508 0.01 1 232 87 77 LYS HB2 H 1.464 0.01 2 233 87 77 LYS HB3 H 1.798 0.01 2 234 87 77 LYS CA C 54.992 0.2 1 235 87 77 LYS CB C 30.634 0.2 1 236 87 77 LYS N N 126.021 0.2 1 237 88 78 ILE H H 7.396 0.01 1 238 88 78 ILE HA H 3.403 0.01 1 239 88 78 ILE HB H 1.875 0.01 1 240 88 78 ILE HG12 H 1.312 0.01 2 241 88 78 ILE HG13 H 1.419 0.01 2 242 88 78 ILE HG2 H 0.827 0.01 1 243 88 78 ILE HD1 H 0.797 0.01 1 244 88 78 ILE CA C 63.900 0.2 1 245 88 78 ILE CB C 36.629 0.2 1 246 88 78 ILE CG1 C 28.432 0.2 1 247 88 78 ILE CG2 C 17.858 0.2 1 248 88 78 ILE CD1 C 11.250 0.2 1 249 88 78 ILE N N 120.600 0.2 1 250 89 79 GLU H H 8.714 0.01 1 251 89 79 GLU HA H 3.921 0.01 1 252 89 79 GLU HB2 H 1.828 0.01 2 253 89 79 GLU HB3 H 1.879 0.01 2 254 89 79 GLU HG2 H 2.208 0.01 2 255 89 79 GLU CA C 60.165 0.2 1 256 89 79 GLU CB C 28.648 0.2 1 257 89 79 GLU CG C 36.629 0.2 1 258 89 79 GLU N N 120.800 0.2 1 259 90 80 GLU H H 9.037 0.01 1 260 90 80 GLU HA H 3.747 0.01 1 261 90 80 GLU HB2 H 0.968 0.01 2 262 90 80 GLU HB3 H 1.373 0.01 2 263 90 80 GLU HG2 H 1.967 0.01 2 264 90 80 GLU CA C 60.299 0.2 1 265 90 80 GLU CB C 27.500 0.2 1 266 90 80 GLU CG C 37.770 0.2 1 267 90 80 GLU N N 121.500 0.2 1 268 91 81 ALA H H 7.709 0.01 1 269 91 81 ALA HA H 4.128 0.01 1 270 91 81 ALA HB H 1.641 0.01 1 271 91 81 ALA CA C 55.958 0.2 1 272 91 81 ALA CB C 20.058 0.2 1 273 91 81 ALA N N 121.295 0.2 1 274 92 82 GLU H H 8.911 0.01 1 275 92 82 GLU HA H 3.904 0.01 1 276 92 82 GLU HB2 H 1.854 0.01 2 277 92 82 GLU HB3 H 2.090 0.01 2 278 92 82 GLU HG2 H 2.092 0.01 2 279 92 82 GLU HG3 H 2.525 0.01 2 280 92 82 GLU CA C 59.400 0.2 1 281 92 82 GLU CB C 29.342 0.2 1 282 92 82 GLU CG C 37.304 0.2 1 283 92 82 GLU N N 117.700 0.2 1 284 93 83 ALA H H 7.763 0.01 1 285 93 83 ALA HA H 4.064 0.01 1 286 93 83 ALA HB H 1.442 0.01 1 287 93 83 ALA CA C 55.000 0.2 1 288 93 83 ALA CB C 17.792 0.2 1 289 93 83 ALA N N 120.700 0.2 1 290 94 84 ILE H H 7.264 0.01 1 291 94 84 ILE HA H 3.750 0.01 1 292 94 84 ILE HB H 1.916 0.01 1 293 94 84 ILE HG12 H 0.863 0.01 2 294 94 84 ILE HG13 H 1.923 0.01 2 295 94 84 ILE HG2 H 0.757 0.01 1 296 94 84 ILE HD1 H 0.852 0.01 1 297 94 84 ILE CA C 64.630 0.2 1 298 94 84 ILE CB C 39.098 0.2 1 299 94 84 ILE CG1 C 28.442 0.2 1 300 94 84 ILE CG2 C 18.040 0.2 1 301 94 84 ILE CD1 C 14.860 0.2 1 302 94 84 ILE N N 118.200 0.2 1 303 95 85 GLU H H 8.762 0.01 1 304 95 85 GLU HA H 3.721 0.01 1 305 95 85 GLU HB2 H 1.896 0.01 2 306 95 85 GLU HB3 H 2.078 0.01 2 307 95 85 GLU HG2 H 2.195 0.01 2 308 95 85 GLU HG3 H 2.393 0.01 2 309 95 85 GLU CA C 59.600 0.2 1 310 95 85 GLU CG C 36.221 0.2 1 311 95 85 GLU N N 120.500 0.2 1 312 96 86 LYS H H 8.074 0.01 1 313 96 86 LYS HA H 4.064 0.01 1 314 96 86 LYS HB2 H 1.872 0.01 2 315 96 86 LYS CA C 59.200 0.2 1 316 96 86 LYS CB C 32.600 0.2 1 317 96 86 LYS N N 117.700 0.2 1 318 97 87 THR H H 7.629 0.01 1 319 97 87 THR HA H 4.261 0.01 1 320 97 87 THR HB H 4.426 0.01 1 321 97 87 THR HG2 H 1.254 0.01 1 322 97 87 THR CA C 63.700 0.2 1 323 97 87 THR CB C 69.513 0.2 1 324 97 87 THR CG2 C 21.899 0.2 1 325 97 87 THR N N 111.197 0.2 1 326 98 88 LEU H H 7.623 0.01 1 327 98 88 LEU HA H 4.142 0.01 1 328 98 88 LEU HB2 H 1.500 0.01 2 329 98 88 LEU HB3 H 1.750 0.01 2 330 98 88 LEU HG H 1.749 0.01 1 331 98 88 LEU HD1 H 0.752 0.01 2 332 98 88 LEU CA C 56.300 0.2 1 333 98 88 LEU CB C 41.900 0.2 1 334 98 88 LEU CG C 26.428 0.2 1 335 98 88 LEU CD1 C 22.810 0.2 2 336 98 88 LEU N N 122.096 0.2 1 337 99 89 LYS H H 7.965 0.01 1 338 99 89 LYS HA H 4.182 0.01 1 339 99 89 LYS HB2 H 1.864 0.01 2 340 99 89 LYS HB3 H 1.747 0.01 2 341 99 89 LYS CA C 57.100 0.2 1 342 99 89 LYS CB C 32.600 0.2 1 343 99 89 LYS N N 119.343 0.2 1 344 100 90 ASN H H 8.056 0.01 1 345 100 90 ASN HA H 4.621 0.01 1 346 100 90 ASN HB2 H 2.736 0.01 2 347 100 90 ASN HB3 H 2.806 0.01 2 348 100 90 ASN CA C 53.480 0.2 1 349 100 90 ASN CB C 38.550 0.2 1 350 100 90 ASN N N 118.300 0.2 1 351 101 91 LYS H H 8.036 0.01 1 352 101 91 LYS HA H 4.245 0.01 1 353 101 91 LYS HB2 H 1.736 0.01 2 354 101 91 LYS HB3 H 1.803 0.01 2 355 101 91 LYS HG2 H 1.384 0.01 2 356 101 91 LYS HD2 H 1.628 0.01 2 357 101 91 LYS CA C 56.638 0.2 1 358 101 91 LYS CB C 32.921 0.2 1 359 101 91 LYS CG C 24.751 0.2 1 360 101 91 LYS CD C 29.159 0.2 1 361 101 91 LYS CE C 42.114 0.2 1 362 101 91 LYS N N 121.300 0.2 1 363 102 92 GLN H H 8.350 0.01 1 364 102 92 GLN HA H 4.269 0.01 1 365 102 92 GLN HB2 H 1.905 0.01 2 366 102 92 GLN HB3 H 2.074 0.01 2 367 102 92 GLN CB C 29.547 0.2 1 368 102 92 GLN N N 121.800 0.2 1 369 103 93 ASN H H 8.056 0.01 1 370 103 93 ASN HA H 4.394 0.01 1 371 103 93 ASN HB2 H 2.703 0.01 2 372 103 93 ASN HB3 H 2.607 0.01 2 373 103 93 ASN CA C 54.811 0.2 1 374 103 93 ASN CB C 40.200 0.2 1 375 103 93 ASN N N 125.504 0.2 1 stop_ save_ save_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'U1-70k proline-rich peptide' _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 5 5 ALA H H 8.353 0.01 1 2 5 5 ALA HA H 4.154 0.01 1 3 5 5 ALA HB H 1.240 0.01 1 4 8 8 ASN H H 8.582 0.01 1 5 8 8 ASN HA H 4.523 0.01 1 6 8 8 ASN HB2 H 2.690 0.01 2 7 10 10 PHE H H 8.344 0.01 1 8 10 10 PHE HA H 4.555 0.01 1 9 10 10 PHE HB2 H 3.091 0.01 2 10 10 10 PHE HD1 H 7.278 0.01 1 11 10 10 PHE HD2 H 7.278 0.01 1 12 10 10 PHE HE1 H 7.310 0.01 1 13 10 10 PHE HE2 H 7.310 0.01 1 14 10 10 PHE HZ H 7.198 0.01 1 15 12 12 VAL H H 8.017 0.01 1 16 12 12 VAL HA H 4.084 0.01 1 17 12 12 VAL HB H 1.965 0.01 1 18 12 12 VAL HG1 H 0.851 0.01 2 19 17 17 ILE H H 8.205 0.01 1 20 17 17 ILE HA H 4.052 0.01 1 21 17 17 ILE HB H 1.742 0.01 1 22 17 17 ILE HG12 H 1.112 0.01 2 23 17 17 ILE HG13 H 1.462 0.01 2 24 17 17 ILE HG2 H 0.839 0.01 1 25 17 17 ILE HD1 H 0.788 0.01 1 26 18 18 LEU H H 8.344 0.01 1 27 18 18 LEU HA H 4.351 0.01 1 28 18 18 LEU HB2 H 1.539 0.01 2 29 18 18 LEU HB3 H 1.640 0.01 2 30 18 18 LEU HD1 H 0.877 0.01 1 31 19 19 GLY H H 8.114 0.01 1 32 19 19 GLY HA2 H 3.715 0.01 2 33 20 20 ARG H H 8.200 0.01 1 34 20 20 ARG HA H 4.346 0.01 1 35 20 20 ARG HB2 H 1.704 0.01 2 36 20 20 ARG HB3 H 1.882 0.01 2 37 20 20 ARG HG2 H 1.590 0.01 2 38 20 20 ARG HD2 H 3.155 0.01 2 39 21 21 GLY H H 8.458 0.01 1 40 21 21 GLY HA2 H 3.912 0.01 2 stop_ save_