data_4898 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C, 15N and 31P resonances of the FYVE domain in the complex with phosphatidylinositol 3-phosphate. ; _BMRB_accession_number 4898 _BMRB_flat_file_name bmr4898.str _Entry_type original _Submission_date 2000-11-13 _Accession_date 2000-11-13 _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 Kutateladze Tatiana G. . 2 Overduin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 542 "13C chemical shifts" 383 "15N chemical shifts" 109 "31P chemical shifts" 2 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-06-02 original author . stop_ _Original_release_date 2005-06-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Multivalent mechanism of membrane insertion by the FYVE domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14578346 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kutateladze Tatiana G. . 2 Capelluto D. G. . 3 Ferguson C. G. . 4 Cheever M. L. . 5 Kutateladze A. G. . 6 Prestwich G. D. . 7 Overduin Michael . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3050 _Page_last 3057 _Year 2004 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full . _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes' _Citation_status . _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96088118 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F. . . 2 Grzesiek S. . . 3 Vuister G. W. . 4 Zhu G. . . 5 Pfeifer J. . . 6 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 6 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details . loop_ _Keyword 'Data processing' software stop_ save_ save_ref_2 _Saveframe_category citation _Citation_full . _Citation_title ; A Common Sense Approach to Peak Picking in Two-, Three-, and Four-Dimensional Spectra Uning Automatic Computer Analysis of Contour Diagrams ; _Citation_status . _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Garrett D. S. . 2 Powers R. . . 3 Gronenborn A. M. . 4 Clore G. M. . stop_ _Journal_abbreviation 'J. Magn. Reson.' _Journal_name_full . _Journal_volume 95 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 214 _Page_last 220 _Year 1991 _Details . loop_ _Keyword 'Peak picking' software stop_ save_ ################################## # Molecular system description # ################################## save_FYVE_PtdIns3P _Saveframe_category molecular_system _Mol_system_name 'complex of the FYVE domain of EEA1 with PtdIns3P' _Abbreviation_common 'FYVE, PtdIns3P' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FYVE $EEA1 PtdIns3P $PTDINS3P Zn-1 $entity_ZN Zn-2 $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EEA1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Early Endosome Antigen 1' _Abbreviation_common EEA1 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; AVQELGRENQSLQIKHTQAL NRKWAEDNEVQNCMACGKGF SVTVRRHHCRQCGNIFCAEC SAKNALTPSSKKPVRVCDAC FNDLQG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1325 ALA 2 1326 VAL 3 1327 GLN 4 1328 GLU 5 1329 LEU 6 1330 GLY 7 1331 ARG 8 1332 GLU 9 1333 ASN 10 1334 GLN 11 1335 SER 12 1336 LEU 13 1337 GLN 14 1338 ILE 15 1339 LYS 16 1340 HIS 17 1341 THR 18 1342 GLN 19 1343 ALA 20 1344 LEU 21 1345 ASN 22 1346 ARG 23 1347 LYS 24 1348 TRP 25 1349 ALA 26 1350 GLU 27 1351 ASP 28 1352 ASN 29 1353 GLU 30 1354 VAL 31 1355 GLN 32 1356 ASN 33 1357 CYS 34 1358 MET 35 1359 ALA 36 1360 CYS 37 1361 GLY 38 1362 LYS 39 1363 GLY 40 1364 PHE 41 1365 SER 42 1366 VAL 43 1367 THR 44 1368 VAL 45 1369 ARG 46 1370 ARG 47 1371 HIS 48 1372 HIS 49 1373 CYS 50 1374 ARG 51 1375 GLN 52 1376 CYS 53 1377 GLY 54 1378 ASN 55 1379 ILE 56 1380 PHE 57 1381 CYS 58 1382 ALA 59 1383 GLU 60 1384 CYS 61 1385 SER 62 1386 ALA 63 1387 LYS 64 1388 ASN 65 1389 ALA 66 1390 LEU 67 1391 THR 68 1392 PRO 69 1393 SER 70 1394 SER 71 1395 LYS 72 1396 LYS 73 1397 PRO 74 1398 VAL 75 1399 ARG 76 1400 VAL 77 1401 CYS 78 1402 ASP 79 1403 ALA 80 1404 CYS 81 1405 PHE 82 1406 ASN 83 1407 ASP 84 1408 LEU 85 1409 GLN 86 1410 GLY stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 REF XP_001926390 'PREDICTED: similar to Early endosome antigen 1 (Endosome-associated protein p162) (Zinc finger FYVE domain-containing protein 2) [Sus scrofa]' 100.00 1410 98.84 100.00 6.54e-49 SWISS-PROT Q15075 'Early endosome antigen 1 (Endosome-associated protein p162) (Zinc finger FYVE domain-containing protein 2)' 100.00 1411 100.00 100.00 2.59e-49 REF XP_001510589 'PREDICTED: similar to endosomal protein [Ornithorhynchus anatinus]' 100.00 1453 98.84 98.84 2.61e-48 REF XP_001915836 'PREDICTED: similar to Early endosome antigen 1 (Endosome-associated protein p162) (Zinc finger FYVE domain-containing protein 2) [Equus caballus]' 100.00 1494 100.00 100.00 2.31e-48 REF NP_003557 'early endosome antigen 1, 162kD [Homo sapiens]' 100.00 1411 100.00 100.00 2.59e-49 REF XP_001104577 'PREDICTED: early endosome antigen 1, 162kD [Macaca mulatta]' 100.00 1411 100.00 100.00 2.68e-49 GenBank AAI56546 'Early endosome antigen 1 [synthetic construct]' 100.00 1411 100.00 100.00 2.59e-49 GenBank EAW97471 'early endosome antigen 1, 162kD, isoform CRA_a [Homo sapiens]' 100.00 1411 100.00 100.00 2.59e-49 EMBL CAA55632 'endosomal protein [Homo sapiens]' 100.00 1411 100.00 100.00 2.59e-49 GenBank AAA79121 'endosome-associated protein' 100.00 1410 100.00 100.00 2.66e-49 PDB 1HYJ 'Solution Structure Of The Eea1 Fyve Domain' 75.58 65 100.00 100.00 1.88e-31 PDB 1JOC 'Eea1 Homodimer Of C-Terminal Fyve Domain Bound To Inositol 1,3-Diphosphate' 100.00 125 100.00 100.00 1.95e-44 BMRB 4579 'Early Endosome autoantigen 1' 100.00 86 100.00 100.00 9.30e-44 PDB 1HYI 'Solution Structure Of The Eea1 Fyve Domain Complexed With Inositol 1,3-Bisphosphate' 75.58 65 100.00 100.00 1.88e-31 stop_ save_ ############# # Ligands # ############# save_PTDINS3P _Saveframe_category ligand _Mol_type non-polymer _Name_common '1,2 Dibutanoyl-sn-glycero-3-phospho[1D-myo-inositol]' _Abbreviation_common PtdIns3P _BMRB_code PtdIns3P _PDB_code . _Molecular_mass . _Mol_charge . _Mol_paramagnetic no _Mol_aromatic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' . C . 0 . ? C2' . C . 0 . ? C3' . C . 0 . ? C4' . C . 0 . ? C5' . C . 0 . ? C6' . C . 0 . ? H1' . H . 0 . ? H2' . H . 0 . ? H3' . H . 0 . ? H4' . H . 0 . ? H5' . H . 0 . ? H6' . H . 0 . ? O1' . O . 0 . ? O2' . O . 0 . ? O3' . O . 0 . ? O4' . O . 0 . ? O5' . O . 0 . ? O6' . O . 0 . ? HO2' . H . 0 . ? HO4' . H . 0 . ? HO5' . H . 0 . ? HO6' . H . 0 . ? P2 . P . 0 . ? OP3 . O . 0 . ? OP4 . O . 0 . ? OP5 . O . 0 . ? HOP4 . H . 0 . ? HOP5 . H . 0 . ? P1 . P . 0 . ? OP1 . O . 0 . ? OP2 . O . 0 . ? HOP2 . H . 0 . ? O3 . O . 0 . ? C3 . C . 0 . ? C2 . C . 0 . ? C1 . C . 0 . ? H32 . H . 0 . ? H33 . H . 0 . ? H2 . H . 0 . ? O2 . O . 0 . ? H12 . H . 0 . ? H13 . H . 0 . ? O1 . O . 0 . ? C4 . C . 0 . ? C5 . C . 0 . ? C6 . C . 0 . ? C7 . C . 0 . ? O4 . O . 0 . ? H52 . H . 0 . ? H53 . H . 0 . ? H62 . H . 0 . ? H63 . H . 0 . ? H71 . H . 0 . ? H72 . H . 0 . ? H73 . H . 0 . ? C8 . C . 0 . ? C9 . C . 0 . ? C10 . C . 0 . ? C11 . C . 0 . ? O8 . O . 0 . ? H92 . H . 0 . ? H93 . H . 0 . ? H102 . H . 0 . ? H103 . H . 0 . ? H111 . H . 0 . ? H112 . H . 0 . ? H113 . H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1' C2' ? ? SING C1' C6' ? ? SING C1' H1' ? ? SING C1' O1' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING C2' O2' ? ? SING O2' HO2' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING C3' O3' ? ? SING O3' P2 ? ? DOUB P2 OP3 ? ? SING P2 OP4 ? ? SING OP4 HOP4 ? ? SING P2 OP5 ? ? SING OP5 HOP5 ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING C4' O4' ? ? SING O4' HO4' ? ? SING C5' C6' ? ? SING C5' H5' ? ? SING C5' O5' ? ? SING O5' HO5' ? ? SING C6' H6' ? ? SING C6' O6' ? ? SING O6' HO6' ? ? SING O1' P1 ? ? DOUB P1 OP1 ? ? SING P1 OP2 ? ? SING OP2 HOP2 ? ? SING P1 O3 ? ? SING O3 C3 ? ? SING C3 C2 ? ? SING C3 H32 ? ? SING C3 H33 ? ? SING C2 C1 ? ? SING C2 H2 ? ? SING C2 O2 ? ? SING C1 H12 ? ? SING C1 H13 ? ? SING C1 O1 ? ? SING O1 C4 ? ? SING C4 C5 ? ? DOUB C4 O4 ? ? SING C5 C6 ? ? SING C5 H52 ? ? SING C5 H53 ? ? SING C6 C7 ? ? SING C6 H62 ? ? SING C6 H63 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C7 H73 ? ? SING O2 C8 ? ? SING C8 C9 ? ? DOUB C8 O8 ? ? SING C9 C10 ? ? SING C9 H92 ? ? SING C9 H93 ? ? SING C10 C11 ? ? SING C10 H102 ? ? SING C10 H103 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C11 H113 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . 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 . _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 $EEA1 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 $EEA1 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EEA1 2.0 mM 0.25 2.0 [U-15N] $PTDINS3P 1.0 mM 0.25 5.0 . $entity_ZN 2.0 mM 0.25 2.0 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $EEA1 2.0 mM 0.25 2.0 '[U-15N; U-13C]' $PTDINS3P 1.0 mM 0.25 5.0 . $entity_ZN 2.0 mM 0.25 2.0 . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data processing' stop_ _Details . _Citation_label $ref_1 save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task 'peak picking' stop_ _Details . _Citation_label $ref_2 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Mercury _Field_strength 400 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DIPSI_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DIPSI' _Sample_label . save_ save_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_HMQCJ_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HMQCJ' _Sample_label . save_ save_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_H(CCO)NH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'H(CCO)NH TOCSY' _Sample_label . save_ save_C(CO)NH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO)NH TOCSY' _Sample_label . save_ save_1H-31P_HARTMANN-HAHN_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-31P HARTMANN-HAHN' _Sample_label . save_ save_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_13C_F1-filtered,_F2-edited_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C F1-filtered, F2-edited NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DIPSI' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HMQCJ' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'H(CCO)NH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO)NH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-31P HARTMANN-HAHN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C F1-filtered, F2-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.1 n/a temperature 298 1 K 'ionic strength' 0.2 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name FYVE _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 . 1 ALA H H 8.49 0.05 1 2 . 1 ALA HA H 4.35 0.05 1 3 . 1 ALA HB H 1.37 0.05 1 4 . 1 ALA C C 177.86 0.1 1 5 . 1 ALA CA C 52.66 0.1 1 6 . 1 ALA CB C 19.28 0.1 1 7 . 1 ALA N N 126.22 0.1 1 8 . 2 VAL H H 8.11 0.05 1 9 . 2 VAL HA H 4.03 0.05 1 10 . 2 VAL HB H 2.02 0.05 1 11 . 2 VAL HG1 H 0.91 0.05 1 12 . 2 VAL HG2 H 0.91 0.05 1 13 . 2 VAL C C 176.28 0.1 1 14 . 2 VAL CA C 62.84 0.1 1 15 . 2 VAL CB C 32.71 0.1 1 16 . 2 VAL CG1 C 21.02 0.1 1 17 . 2 VAL CG2 C 21.02 0.1 1 18 . 2 VAL N N 119.18 0.1 1 19 . 3 GLN H H 8.36 0.05 1 20 . 3 GLN HA H 4.30 0.05 1 21 . 3 GLN HB2 H 1.96 0.05 2 22 . 3 GLN HB3 H 2.04 0.05 2 23 . 3 GLN HG2 H 2.32 0.05 1 24 . 3 GLN HG3 H 2.32 0.05 1 25 . 3 GLN HE21 H 6.84 0.05 2 26 . 3 GLN HE22 H 7.51 0.05 2 27 . 3 GLN C C 175.80 0.1 1 28 . 3 GLN CA C 55.92 0.1 1 29 . 3 GLN CB C 29.58 0.1 1 30 . 3 GLN CG C 33.89 0.1 1 31 . 3 GLN CD C 180.42 0.1 1 32 . 3 GLN N N 123.77 0.1 1 33 . 3 GLN NE2 N 112.28 0.1 1 34 . 4 GLU H H 8.41 0.05 1 35 . 4 GLU HA H 4.26 0.05 1 36 . 4 GLU HB2 H 1.90 0.05 2 37 . 4 GLU HB3 H 2.01 0.05 2 38 . 4 GLU HG2 H 2.22 0.05 1 39 . 4 GLU HG3 H 2.22 0.05 1 40 . 4 GLU C C 176.41 0.1 1 41 . 4 GLU CA C 56.46 0.1 1 42 . 4 GLU CB C 30.33 0.1 1 43 . 4 GLU CG C 36.26 0.1 1 44 . 4 GLU N N 122.60 0.1 1 45 . 5 LEU H H 8.29 0.05 1 46 . 5 LEU HA H 4.31 0.05 1 47 . 5 LEU HB2 H 1.65 0.05 1 48 . 5 LEU HB3 H 1.65 0.05 1 49 . 5 LEU HG H 1.57 0.05 1 50 . 5 LEU HD1 H 0.84 0.05 2 51 . 5 LEU HD2 H 0.90 0.05 2 52 . 5 LEU C C 178.05 0.1 1 53 . 5 LEU CA C 55.50 0.1 1 54 . 5 LEU CB C 42.39 0.1 1 55 . 5 LEU CG C 27.01 0.1 1 56 . 5 LEU CD1 C 23.46 0.1 2 57 . 5 LEU CD2 C 24.98 0.1 2 58 . 5 LEU N N 123.38 0.1 1 59 . 6 GLY H H 8.51 0.05 1 60 . 6 GLY HA2 H 3.94 0.05 1 61 . 6 GLY HA3 H 3.94 0.05 1 62 . 6 GLY C C 174.45 0.1 1 63 . 6 GLY CA C 45.52 0.1 1 64 . 6 GLY N N 109.61 0.1 1 65 . 7 ARG H H 8.12 0.05 1 66 . 7 ARG HA H 4.31 0.05 1 67 . 7 ARG HB2 H 1.74 0.05 2 68 . 7 ARG HB3 H 1.86 0.05 2 69 . 7 ARG HG2 H 1.59 0.05 1 70 . 7 ARG HG3 H 1.59 0.05 1 71 . 7 ARG HD2 H 3.17 0.05 1 72 . 7 ARG HD3 H 3.17 0.05 1 73 . 7 ARG HE H 7.22 0.05 1 74 . 7 ARG C C 176.67 0.1 1 75 . 7 ARG CA C 56.24 0.1 1 76 . 7 ARG CB C 30.79 0.1 1 77 . 7 ARG CG C 27.41 0.1 1 78 . 7 ARG CD C 43.33 0.1 1 79 . 7 ARG N N 120.12 0.1 1 80 . 7 ARG NE N 84.83 0.1 1 81 . 8 GLU H H 8.66 0.05 1 82 . 8 GLU HA H 4.22 0.05 1 83 . 8 GLU HB2 H 1.94 0.05 2 84 . 8 GLU HB3 H 2.02 0.05 2 85 . 8 GLU HG2 H 2.24 0.05 1 86 . 8 GLU HG3 H 2.24 0.05 1 87 . 8 GLU C C 176.50 0.1 1 88 . 8 GLU CA C 57.11 0.1 1 89 . 8 GLU CB C 29.92 0.1 1 90 . 8 GLU CG C 36.30 0.1 1 91 . 8 GLU N N 121.15 0.1 1 92 . 9 ASN H H 8.42 0.05 1 93 . 9 ASN HA H 4.65 0.05 1 94 . 9 ASN HB2 H 2.75 0.05 2 95 . 9 ASN HB3 H 2.83 0.05 2 96 . 9 ASN HD21 H 6.93 0.05 2 97 . 9 ASN HD22 H 7.61 0.05 2 98 . 9 ASN C C 175.52 0.1 1 99 . 9 ASN CA C 53.50 0.1 1 100 . 9 ASN CB C 38.75 0.1 1 101 . 9 ASN CG C 176.97 0.1 1 102 . 9 ASN N N 118.97 0.1 1 103 . 9 ASN ND2 N 113.04 0.1 1 104 . 10 GLN H H 8.36 0.05 1 105 . 10 GLN HA H 4.29 0.05 1 106 . 10 GLN HB2 H 1.95 0.05 2 107 . 10 GLN HB3 H 2.14 0.05 2 108 . 10 GLN HG2 H 2.35 0.05 1 109 . 10 GLN HG3 H 2.35 0.05 1 110 . 10 GLN HE21 H 6.84 0.05 2 111 . 10 GLN HE22 H 7.49 0.05 2 112 . 10 GLN C C 176.29 0.1 1 113 . 10 GLN CA C 56.45 0.1 1 114 . 10 GLN CB C 29.28 0.1 1 115 . 10 GLN CG C 33.89 0.1 1 116 . 10 GLN CD C 180.35 0.1 1 117 . 10 GLN N N 120.71 0.1 1 118 . 10 GLN NE2 N 112.29 0.1 1 119 . 11 SER H H 8.31 0.05 1 120 . 11 SER HA H 4.39 0.05 1 121 . 11 SER HB2 H 3.86 0.05 1 122 . 11 SER HB3 H 3.86 0.05 1 123 . 11 SER C C 174.74 0.1 1 124 . 11 SER CA C 58.80 0.1 1 125 . 11 SER CB C 63.53 0.1 1 126 . 11 SER N N 116.22 0.1 1 127 . 12 LEU H H 8.11 0.05 1 128 . 12 LEU HA H 4.29 0.05 1 129 . 12 LEU HB2 H 1.62 0.05 1 130 . 12 LEU HB3 H 1.62 0.05 1 131 . 12 LEU HG H 1.57 0.05 1 132 . 12 LEU HD1 H 0.84 0.05 2 133 . 12 LEU HD2 H 0.90 0.05 2 134 . 12 LEU C C 177.36 0.1 1 135 . 12 LEU CA C 55.51 0.1 1 136 . 12 LEU CB C 42.24 0.1 1 137 . 12 LEU CG C 27.05 0.1 1 138 . 12 LEU CD1 C 23.56 0.1 2 139 . 12 LEU CD2 C 25.00 0.1 2 140 . 12 LEU N N 123.24 0.1 1 141 . 13 GLN H H 8.21 0.05 1 142 . 13 GLN HA H 4.27 0.05 1 143 . 13 GLN HB2 H 1.96 0.05 2 144 . 13 GLN HB3 H 2.04 0.05 2 145 . 13 GLN HG2 H 2.32 0.05 1 146 . 13 GLN HG3 H 2.32 0.05 1 147 . 13 GLN HE21 H 6.83 0.05 2 148 . 13 GLN C C 176.10 0.1 1 149 . 13 GLN CA C 56.02 0.1 1 150 . 13 GLN CB C 29.21 0.1 1 151 . 13 GLN CG C 33.85 0.1 1 152 . 13 GLN CD C 180.36 0.1 1 153 . 13 GLN N N 120.50 0.1 1 154 . 13 GLN NE2 N 111.70 0.1 1 155 . 14 ILE H H 8.04 0.05 1 156 . 14 ILE HA H 4.05 0.05 1 157 . 14 ILE HB H 1.78 0.05 1 158 . 14 ILE HG12 H 1.15 0.05 2 159 . 14 ILE HG13 H 1.40 0.05 2 160 . 14 ILE HG2 H 0.78 0.05 1 161 . 14 ILE HD1 H 0.78 0.05 1 162 . 14 ILE C C 176.24 0.1 1 163 . 14 ILE CA C 61.35 0.1 1 164 . 14 ILE CB C 38.40 0.1 1 165 . 14 ILE CG1 C 27.95 0.1 1 166 . 14 ILE CG2 C 17.51 0.1 1 167 . 14 ILE CD1 C 12.95 0.1 1 168 . 14 ILE N N 121.90 0.1 1 169 . 15 LYS H H 8.26 0.05 1 170 . 15 LYS HA H 4.26 0.05 1 171 . 15 LYS HB2 H 1.63 0.05 2 172 . 15 LYS HB3 H 1.68 0.05 2 173 . 15 LYS HG2 H 1.36 0.05 1 174 . 15 LYS HG3 H 1.36 0.05 1 175 . 15 LYS HD2 H 1.63 0.05 1 176 . 15 LYS HD3 H 1.63 0.05 1 177 . 15 LYS HE2 H 2.98 0.05 1 178 . 15 LYS HE3 H 2.98 0.05 1 179 . 15 LYS C C 176.12 0.1 1 180 . 15 LYS CA C 56.26 0.1 1 181 . 15 LYS CB C 32.83 0.1 1 182 . 15 LYS CG C 24.79 0.1 1 183 . 15 LYS CD C 29.03 0.1 1 184 . 15 LYS CE C 42.01 0.1 1 185 . 15 LYS N N 124.62 0.1 1 186 . 16 HIS H H 8.21 0.05 1 187 . 16 HIS HA H 4.69 0.05 1 188 . 16 HIS HB2 H 3.08 0.05 2 189 . 16 HIS HB3 H 3.14 0.05 2 190 . 16 HIS HD2 H 7.02 0.05 1 191 . 16 HIS HE1 H 7.87 0.05 1 192 . 16 HIS C C 175.74 0.1 1 193 . 16 HIS CA C 56.32 0.1 1 194 . 16 HIS CB C 31.06 0.1 1 195 . 16 HIS CD2 C 119.77 0.1 1 196 . 16 HIS CE1 C 138.11 0.1 1 197 . 16 HIS N N 122.13 0.1 1 198 . 17 THR H H 8.04 0.05 1 199 . 17 THR HA H 4.29 0.05 1 200 . 17 THR HB H 4.19 0.05 1 201 . 17 THR HG2 H 1.14 0.05 1 202 . 17 THR C C 174.62 0.1 1 203 . 17 THR CA C 62.27 0.1 1 204 . 17 THR CB C 69.73 0.1 1 205 . 17 THR CG2 C 21.73 0.1 1 206 . 17 THR N N 115.25 0.1 1 207 . 18 GLN H H 8.38 0.05 1 208 . 18 GLN HA H 4.28 0.05 1 209 . 18 GLN HB2 H 1.97 0.05 2 210 . 18 GLN HB3 H 2.08 0.05 2 211 . 18 GLN HG2 H 2.34 0.05 1 212 . 18 GLN HG3 H 2.34 0.05 1 213 . 18 GLN HE21 H 6.85 0.05 2 214 . 18 GLN HE22 H 7.53 0.05 2 215 . 18 GLN C C 175.77 0.1 1 216 . 18 GLN CA C 56.13 0.1 1 217 . 18 GLN CB C 29.41 0.1 1 218 . 18 GLN CG C 33.90 0.1 1 219 . 18 GLN CD C 180.66 0.1 1 220 . 18 GLN N N 122.18 0.1 1 221 . 18 GLN NE2 N 112.94 0.1 1 222 . 19 ALA H H 8.21 0.05 1 223 . 19 ALA HA H 4.25 0.05 1 224 . 19 ALA HB H 1.35 0.05 1 225 . 19 ALA C C 177.69 0.1 1 226 . 19 ALA CA C 52.68 0.1 1 227 . 19 ALA CB C 19.14 0.1 1 228 . 19 ALA N N 124.52 0.1 1 229 . 20 LEU H H 8.11 0.05 1 230 . 20 LEU HA H 4.26 0.05 1 231 . 20 LEU HB2 H 1.60 0.05 1 232 . 20 LEU HB3 H 1.60 0.05 1 233 . 20 LEU HG H 1.54 0.05 1 234 . 20 LEU HD1 H 0.83 0.05 2 235 . 20 LEU HD2 H 0.88 0.05 2 236 . 20 LEU C C 177.14 0.1 1 237 . 20 LEU CA C 55.49 0.1 1 238 . 20 LEU CB C 42.33 0.1 1 239 . 20 LEU CG C 27.08 0.1 1 240 . 20 LEU CD1 C 23.61 0.1 2 241 . 20 LEU CD2 C 24.96 0.1 2 242 . 20 LEU N N 120.67 0.1 1 243 . 21 ASN H H 8.30 0.05 1 244 . 21 ASN HA H 4.63 0.05 1 245 . 21 ASN HB2 H 2.71 0.05 2 246 . 21 ASN HB3 H 2.79 0.05 2 247 . 21 ASN HD21 H 6.87 0.05 2 248 . 21 ASN HD22 H 7.54 0.05 2 249 . 21 ASN C C 174.86 0.1 1 250 . 21 ASN CA C 53.23 0.1 1 251 . 21 ASN CB C 38.63 0.1 1 252 . 21 ASN CG C 177.01 0.1 1 253 . 21 ASN N N 118.66 0.1 1 254 . 21 ASN ND2 N 112.49 0.1 1 255 . 22 ARG H H 8.12 0.05 1 256 . 22 ARG HA H 4.29 0.05 1 257 . 22 ARG HB2 H 1.71 0.05 2 258 . 22 ARG HB3 H 1.80 0.05 2 259 . 22 ARG HG2 H 1.57 0.05 1 260 . 22 ARG HG3 H 1.57 0.05 1 261 . 22 ARG HD2 H 3.18 0.05 1 262 . 22 ARG HD3 H 3.18 0.05 1 263 . 22 ARG HE H 7.16 0.05 1 264 . 22 ARG C C 175.81 0.1 1 265 . 22 ARG CA C 56.03 0.1 1 266 . 22 ARG CB C 30.82 0.1 1 267 . 22 ARG CG C 27.13 0.1 1 268 . 22 ARG CD C 43.38 0.1 1 269 . 22 ARG N N 120.95 0.1 1 270 . 22 ARG NE N 84.92 0.1 1 271 . 23 LYS H H 8.35 0.05 1 272 . 23 LYS HA H 4.32 0.05 1 273 . 23 LYS HB2 H 1.73 0.05 1 274 . 23 LYS HB3 H 1.73 0.05 1 275 . 23 LYS HG2 H 1.38 0.05 1 276 . 23 LYS HG3 H 1.38 0.05 1 277 . 23 LYS HD2 H 1.73 0.05 1 278 . 23 LYS HD3 H 1.73 0.05 1 279 . 23 LYS HE2 H 2.93 0.05 1 280 . 23 LYS HE3 H 2.93 0.05 1 281 . 23 LYS C C 176.14 0.1 1 282 . 23 LYS CA C 55.94 0.1 1 283 . 23 LYS CB C 33.07 0.1 1 284 . 23 LYS CG C 24.79 0.1 1 285 . 23 LYS CD C 29.03 0.1 1 286 . 23 LYS CE C 42.01 0.1 1 287 . 23 LYS N N 123.20 0.1 1 288 . 24 TRP H H 8.54 0.05 1 289 . 24 TRP HA H 4.86 0.05 1 290 . 24 TRP HB2 H 3.04 0.05 2 291 . 24 TRP HB3 H 3.07 0.05 2 292 . 24 TRP HD1 H 6.97 0.05 1 293 . 24 TRP HE1 H 10.02 0.05 1 294 . 24 TRP HE3 H 7.20 0.05 1 295 . 24 TRP HZ2 H 7.16 0.05 1 296 . 24 TRP HZ3 H 6.87 0.05 1 297 . 24 TRP HH2 H 6.97 0.05 1 298 . 24 TRP C C 176.03 0.1 1 299 . 24 TRP CA C 56.69 0.1 1 300 . 24 TRP CB C 29.75 0.1 1 301 . 24 TRP CD1 C 127.03 0.1 1 302 . 24 TRP CE3 C 120.70 0.1 1 303 . 24 TRP CZ2 C 114.49 0.1 1 304 . 24 TRP CZ3 C 121.73 0.1 1 305 . 24 TRP CH2 C 124.40 0.1 1 306 . 24 TRP N N 124.65 0.1 1 307 . 24 TRP NE1 N 129.00 0.1 1 308 . 25 ALA H H 8.54 0.05 1 309 . 25 ALA HA H 4.18 0.05 1 310 . 25 ALA HB H 1.34 0.05 1 311 . 25 ALA C C 178.22 0.1 1 312 . 25 ALA CA C 52.80 0.1 1 313 . 25 ALA CB C 19.17 0.1 1 314 . 25 ALA N N 127.27 0.1 1 315 . 26 GLU H H 8.28 0.05 1 316 . 26 GLU HA H 4.36 0.05 1 317 . 26 GLU HB2 H 1.90 0.05 2 318 . 26 GLU HB3 H 2.10 0.05 2 319 . 26 GLU HG2 H 2.35 0.05 1 320 . 26 GLU HG3 H 2.35 0.05 1 321 . 26 GLU C C 177.15 0.1 1 322 . 26 GLU CA C 56.19 0.1 1 323 . 26 GLU CB C 30.07 0.1 1 324 . 26 GLU CG C 36.24 0.1 1 325 . 26 GLU N N 119.25 0.1 1 326 . 27 ASP H H 8.70 0.05 1 327 . 27 ASP HA H 4.32 0.05 1 328 . 27 ASP HB2 H 2.56 0.05 1 329 . 27 ASP HB3 H 2.56 0.05 1 330 . 27 ASP C C 177.42 0.1 1 331 . 27 ASP CA C 56.20 0.1 1 332 . 27 ASP CB C 40.80 0.1 1 333 . 27 ASP N N 123.63 0.1 1 334 . 28 ASN H H 8.34 0.05 1 335 . 28 ASN HA H 4.37 0.05 1 336 . 28 ASN HB2 H 2.74 0.05 1 337 . 28 ASN HB3 H 2.74 0.05 1 338 . 28 ASN HD21 H 6.83 0.05 2 339 . 28 ASN HD22 H 7.52 0.05 2 340 . 28 ASN C C 176.04 0.1 1 341 . 28 ASN CA C 54.40 0.1 1 342 . 28 ASN CB C 38.38 0.1 1 343 . 28 ASN CG C 176.79 0.1 1 344 . 28 ASN N N 112.17 0.1 1 345 . 28 ASN ND2 N 112.46 0.1 1 346 . 29 GLU H H 7.86 0.05 1 347 . 29 GLU HA H 4.29 0.05 1 348 . 29 GLU HB2 H 2.00 0.05 2 349 . 29 GLU HB3 H 2.13 0.05 2 350 . 29 GLU HG2 H 2.29 0.05 1 351 . 29 GLU HG3 H 2.29 0.05 1 352 . 29 GLU C C 176.33 0.1 1 353 . 29 GLU CA C 56.51 0.1 1 354 . 29 GLU CB C 30.57 0.1 1 355 . 29 GLU CG C 36.90 0.1 1 356 . 29 GLU N N 117.10 0.1 1 357 . 30 VAL H H 7.50 0.05 1 358 . 30 VAL HA H 4.35 0.05 1 359 . 30 VAL HB H 1.92 0.05 1 360 . 30 VAL HG1 H 0.86 0.05 2 361 . 30 VAL HG2 H 1.02 0.05 2 362 . 30 VAL C C 175.35 0.1 1 363 . 30 VAL CA C 61.79 0.1 1 364 . 30 VAL CB C 32.44 0.1 1 365 . 30 VAL CG1 C 21.32 0.1 2 366 . 30 VAL CG2 C 22.37 0.1 2 367 . 30 VAL N N 118.77 0.1 1 368 . 31 GLN H H 8.89 0.05 1 369 . 31 GLN HA H 4.47 0.05 1 370 . 31 GLN HB2 H 1.93 0.05 2 371 . 31 GLN HB3 H 2.28 0.05 2 372 . 31 GLN HG2 H 2.35 0.05 2 373 . 31 GLN HG3 H 2.39 0.05 2 374 . 31 GLN HE21 H 6.70 0.05 2 375 . 31 GLN HE22 H 7.29 0.05 2 376 . 31 GLN C C 175.51 0.1 1 377 . 31 GLN CA C 56.24 0.1 1 378 . 31 GLN CB C 29.88 0.1 1 379 . 31 GLN CG C 33.75 0.1 1 380 . 31 GLN CD C 180.15 0.1 1 381 . 31 GLN N N 123.29 0.1 1 382 . 31 GLN NE2 N 112.59 0.1 1 383 . 32 ASN H H 7.40 0.05 1 384 . 32 ASN HA H 4.79 0.05 1 385 . 32 ASN HB2 H 2.02 0.05 1 386 . 32 ASN HB3 H 2.02 0.05 1 387 . 32 ASN HD21 H 6.75 0.05 2 388 . 32 ASN HD22 H 7.13 0.05 2 389 . 32 ASN C C 172.48 0.1 1 390 . 32 ASN CA C 51.57 0.1 1 391 . 32 ASN CB C 41.64 0.1 1 392 . 32 ASN CG C 176.08 0.1 1 393 . 32 ASN N N 116.21 0.1 1 394 . 32 ASN ND2 N 112.09 0.1 1 395 . 33 CYS H H 8.46 0.05 1 396 . 33 CYS HA H 3.79 0.05 1 397 . 33 CYS HB2 H 2.47 0.05 2 398 . 33 CYS HB3 H 3.08 0.05 2 399 . 33 CYS C C 177.68 0.1 1 400 . 33 CYS CA C 60.70 0.1 1 401 . 33 CYS CB C 30.34 0.1 1 402 . 33 CYS N N 123.61 0.1 1 403 . 34 MET H H 8.06 0.05 1 404 . 34 MET HA H 4.02 0.05 1 405 . 34 MET HB2 H 1.42 0.05 2 406 . 34 MET HB3 H 2.10 0.05 2 407 . 34 MET HG2 H 2.50 0.05 2 408 . 34 MET HG3 H 2.73 0.05 2 409 . 34 MET HE H 2.13 0.05 1 410 . 34 MET C C 175.11 0.1 1 411 . 34 MET CA C 58.71 0.1 1 412 . 34 MET CB C 31.49 0.1 1 413 . 34 MET CG C 33.71 0.1 1 414 . 34 MET CE C 17.39 0.1 1 415 . 34 MET N N 129.16 0.1 1 416 . 35 ALA H H 9.22 0.05 1 417 . 35 ALA HA H 4.94 0.05 1 418 . 35 ALA HB H 2.03 0.05 1 419 . 35 ALA C C 177.99 0.1 1 420 . 35 ALA CA C 54.32 0.1 1 421 . 35 ALA CB C 21.07 0.1 1 422 . 35 ALA N N 123.35 0.1 1 423 . 36 CYS H H 8.43 0.05 1 424 . 36 CYS HA H 4.87 0.05 1 425 . 36 CYS HB2 H 2.73 0.05 2 426 . 36 CYS HB3 H 3.22 0.05 2 427 . 36 CYS C C 177.34 0.1 1 428 . 36 CYS CA C 59.56 0.1 1 429 . 36 CYS CB C 32.93 0.1 1 430 . 36 CYS N N 117.50 0.1 1 431 . 37 GLY H H 7.67 0.05 1 432 . 37 GLY HA2 H 3.71 0.05 2 433 . 37 GLY HA3 H 4.19 0.05 2 434 . 37 GLY C C 174.05 0.1 1 435 . 37 GLY CA C 46.18 0.1 1 436 . 37 GLY N N 111.52 0.1 1 437 . 38 LYS H H 8.80 0.05 1 438 . 38 LYS HA H 4.03 0.05 1 439 . 38 LYS HB2 H 1.42 0.05 2 440 . 38 LYS HB3 H 1.97 0.05 2 441 . 38 LYS HG2 H 1.37 0.05 1 442 . 38 LYS HG3 H 1.37 0.05 1 443 . 38 LYS HD2 H 1.60 0.05 2 444 . 38 LYS HD3 H 1.76 0.05 2 445 . 38 LYS HE2 H 3.03 0.05 2 446 . 38 LYS HE3 H 3.17 0.05 2 447 . 38 LYS C C 176.01 0.1 1 448 . 38 LYS CA C 57.87 0.1 1 449 . 38 LYS CB C 33.42 0.1 1 450 . 38 LYS CG C 24.27 0.1 1 451 . 38 LYS CD C 30.17 0.1 1 452 . 38 LYS CE C 41.38 0.1 1 453 . 38 LYS N N 126.63 0.1 1 454 . 39 GLY H H 8.57 0.05 1 455 . 39 GLY HA2 H 3.45 0.05 2 456 . 39 GLY HA3 H 4.18 0.05 2 457 . 39 GLY C C 173.88 0.1 1 458 . 39 GLY CA C 45.53 0.1 1 459 . 39 GLY N N 111.08 0.1 1 460 . 40 PHE H H 7.43 0.05 1 461 . 40 PHE HA H 4.90 0.05 1 462 . 40 PHE HB2 H 2.43 0.05 2 463 . 40 PHE HB3 H 3.33 0.05 2 464 . 40 PHE HD1 H 6.92 0.05 1 465 . 40 PHE HD2 H 6.92 0.05 1 466 . 40 PHE HE1 H 6.71 0.05 1 467 . 40 PHE HE2 H 6.71 0.05 1 468 . 40 PHE HZ H 6.54 0.05 1 469 . 40 PHE C C 176.49 0.1 1 470 . 40 PHE CA C 58.79 0.1 1 471 . 40 PHE CB C 39.02 0.1 1 472 . 40 PHE CD1 C 131.76 0.1 1 473 . 40 PHE CD2 C 131.76 0.1 1 474 . 40 PHE CE1 C 130.61 0.1 1 475 . 40 PHE CE2 C 130.61 0.1 1 476 . 40 PHE CZ C 127.71 0.1 1 477 . 40 PHE N N 121.50 0.1 1 478 . 41 SER H H 9.60 0.05 1 479 . 41 SER HA H 4.80 0.05 1 480 . 41 SER HB2 H 3.86 0.05 2 481 . 41 SER HB3 H 4.27 0.05 2 482 . 41 SER C C 174.73 0.1 1 483 . 41 SER CA C 57.37 0.1 1 484 . 41 SER CB C 66.30 0.1 1 485 . 41 SER N N 118.34 0.1 1 486 . 42 VAL H H 8.40 0.05 1 487 . 42 VAL HA H 3.88 0.05 1 488 . 42 VAL HB H 2.16 0.05 1 489 . 42 VAL HG1 H 1.01 0.05 2 490 . 42 VAL C C 177.19 0.1 1 491 . 42 VAL CA C 65.50 0.1 1 492 . 42 VAL CB C 31.61 0.1 1 493 . 42 VAL CG1 C 21.42 0.1 2 494 . 42 VAL N N 116.62 0.1 1 495 . 43 THR H H 7.77 0.05 1 496 . 43 THR HA H 4.41 0.05 1 497 . 43 THR HB H 4.27 0.05 1 498 . 43 THR HG2 H 1.20 0.05 1 499 . 43 THR C C 174.77 0.1 1 500 . 43 THR CA C 62.50 0.1 1 501 . 43 THR CB C 69.26 0.1 1 502 . 43 THR CG2 C 22.64 0.1 1 503 . 43 THR N N 108.23 0.1 1 504 . 44 VAL H H 7.56 0.05 1 505 . 44 VAL HA H 4.23 0.05 1 506 . 44 VAL HB H 2.41 0.05 1 507 . 44 VAL HG1 H 0.89 0.05 2 508 . 44 VAL HG2 H 0.94 0.05 2 509 . 44 VAL C C 174.25 0.1 1 510 . 44 VAL CA C 61.82 0.1 1 511 . 44 VAL CB C 31.59 0.1 1 512 . 44 VAL CG1 C 20.86 0.1 2 513 . 44 VAL CG2 C 21.42 0.1 2 514 . 44 VAL N N 126.95 0.1 1 515 . 45 ARG H H 7.84 0.05 1 516 . 45 ARG HA H 4.39 0.05 1 517 . 45 ARG HB2 H 1.86 0.05 1 518 . 45 ARG HB3 H 1.86 0.05 1 519 . 45 ARG HG2 H 1.61 0.05 1 520 . 45 ARG HG3 H 1.61 0.05 1 521 . 45 ARG HD2 H 3.16 0.05 1 522 . 45 ARG HD3 H 3.16 0.05 1 523 . 45 ARG HE H 7.80 0.05 1 524 . 45 ARG C C 175.80 0.1 1 525 . 45 ARG CA C 55.39 0.1 1 526 . 45 ARG CB C 31.16 0.1 1 527 . 45 ARG CG C 27.24 0.1 1 528 . 45 ARG CD C 43.24 0.1 1 529 . 45 ARG N N 123.00 0.1 1 530 . 45 ARG NE N 84.51 0.1 1 531 . 46 ARG H H 7.91 0.05 1 532 . 46 ARG HA H 3.21 0.05 1 533 . 46 ARG HB2 H 0.64 0.05 2 534 . 46 ARG HB3 H 1.13 0.05 2 535 . 46 ARG HG2 H -0.86 0.05 2 536 . 46 ARG HG3 H 0.74 0.05 2 537 . 46 ARG HD2 H 2.47 0.05 2 538 . 46 ARG HD3 H 2.61 0.05 2 539 . 46 ARG HE H 6.55 0.05 1 540 . 46 ARG HH11 H 6.58 0.05 2 541 . 46 ARG HH12 H 6.76 0.05 2 542 . 46 ARG HH21 H 6.58 0.05 2 543 . 46 ARG HH22 H 6.76 0.05 2 544 . 46 ARG C C 176.14 0.1 1 545 . 46 ARG CA C 56.21 0.1 1 546 . 46 ARG CB C 31.75 0.1 1 547 . 46 ARG CG C 26.23 0.1 1 548 . 46 ARG CD C 42.99 0.1 1 549 . 46 ARG N N 116.82 0.1 1 550 . 46 ARG NE N 83.75 0.1 1 551 . 46 ARG NH1 N 71.72 0.1 2 552 . 46 ARG NH2 N 72.25 0.1 2 553 . 47 HIS H H 7.70 0.05 1 554 . 47 HIS HA H 4.45 0.05 1 555 . 47 HIS HB2 H 3.21 0.05 2 556 . 47 HIS HB3 H 3.14 0.05 2 557 . 47 HIS HD2 H 6.70 0.05 1 558 . 47 HIS HE1 H 7.70 0.05 1 559 . 47 HIS C C 173.85 0.1 1 560 . 47 HIS CA C 55.22 0.1 1 561 . 47 HIS CD2 C 118.88 0.1 1 562 . 47 HIS CE1 C 137.94 0.1 1 563 . 47 HIS N N 114.09 0.1 1 564 . 48 HIS H H 8.53 0.05 1 565 . 48 HIS HA H 5.29 0.05 1 566 . 48 HIS HB2 H 2.77 0.05 2 567 . 48 HIS HB3 H 2.84 0.05 2 568 . 48 HIS HD2 H 6.84 0.05 1 569 . 48 HIS HE1 H 7.92 0.05 1 570 . 48 HIS C C 175.42 0.1 1 571 . 48 HIS CA C 54.69 0.1 1 572 . 48 HIS CB C 30.84 0.1 1 573 . 48 HIS CD2 C 119.66 0.1 1 574 . 48 HIS CE1 C 138.40 0.1 1 575 . 48 HIS N N 117.80 0.1 1 576 . 49 CYS H H 8.46 0.05 1 577 . 49 CYS HA H 4.43 0.05 1 578 . 49 CYS HB2 H 2.72 0.05 2 579 . 49 CYS HB3 H 3.59 0.05 2 580 . 49 CYS C C 177.16 0.1 1 581 . 49 CYS CA C 58.54 0.1 1 582 . 49 CYS CB C 32.62 0.1 1 583 . 49 CYS N N 123.66 0.1 1 584 . 50 ARG H H 9.22 0.05 1 585 . 50 ARG HA H 4.33 0.05 1 586 . 50 ARG HB2 H 2.08 0.05 2 587 . 50 ARG HB3 H 2.19 0.05 2 588 . 50 ARG HG2 H 2.04 0.05 1 589 . 50 ARG HG3 H 2.04 0.05 1 590 . 50 ARG HD2 H 3.14 0.05 2 591 . 50 ARG HD3 H 3.16 0.05 2 592 . 50 ARG HE H 8.01 0.05 1 593 . 50 ARG HH11 H 6.29 0.05 2 594 . 50 ARG HH12 H 6.41 0.05 2 595 . 50 ARG HH21 H 6.29 0.05 2 596 . 50 ARG HH22 H 6.41 0.05 2 597 . 50 ARG C C 176.35 0.1 1 598 . 50 ARG CA C 58.64 0.1 1 599 . 50 ARG CB C 30.61 0.1 1 600 . 50 ARG CG C 30.61 0.1 1 601 . 50 ARG CD C 43.03 0.1 1 602 . 50 ARG N N 129.92 0.1 1 603 . 50 ARG NE N 82.42 0.1 1 604 . 50 ARG NH1 N 70.38 0.1 2 605 . 50 ARG NH2 N 72.42 0.1 2 606 . 51 GLN H H 9.48 0.05 1 607 . 51 GLN HA H 4.91 0.05 1 608 . 51 GLN HB2 H 1.97 0.05 2 609 . 51 GLN HB3 H 2.49 0.05 2 610 . 51 GLN HG2 H 2.38 0.05 1 611 . 51 GLN HG3 H 2.38 0.05 1 612 . 51 GLN HE21 H 6.44 0.05 2 613 . 51 GLN HE22 H 7.52 0.05 2 614 . 51 GLN C C 175.89 0.1 1 615 . 51 GLN CA C 57.63 0.1 1 616 . 51 GLN CB C 28.83 0.1 1 617 . 51 GLN CG C 32.86 0.1 1 618 . 51 GLN CD C 178.43 0.1 1 619 . 51 GLN N N 123.78 0.1 1 620 . 51 GLN NE2 N 109.22 0.1 1 621 . 52 CYS H H 8.92 0.05 1 622 . 52 CYS HA H 4.84 0.05 1 623 . 52 CYS HB2 H 2.86 0.05 2 624 . 52 CYS HB3 H 3.24 0.05 2 625 . 52 CYS C C 176.69 0.1 1 626 . 52 CYS CA C 59.32 0.1 1 627 . 52 CYS CB C 32.25 0.1 1 628 . 52 CYS N N 119.64 0.1 1 629 . 53 GLY H H 7.72 0.05 1 630 . 53 GLY HA2 H 3.82 0.05 2 631 . 53 GLY HA3 H 4.26 0.05 2 632 . 53 GLY C C 173.29 0.1 1 633 . 53 GLY CA C 46.72 0.1 1 634 . 53 GLY N N 111.27 0.1 1 635 . 54 ASN H H 8.26 0.05 1 636 . 54 ASN HA H 4.98 0.05 1 637 . 54 ASN HB2 H 2.80 0.05 2 638 . 54 ASN HB3 H 3.52 0.05 2 639 . 54 ASN HD21 H 7.20 0.05 2 640 . 54 ASN HD22 H 7.65 0.05 2 641 . 54 ASN C C 172.73 0.1 1 642 . 54 ASN CA C 52.91 0.1 1 643 . 54 ASN CB C 39.92 0.1 1 644 . 54 ASN CG C 176.54 0.1 1 645 . 54 ASN N N 118.85 0.1 1 646 . 54 ASN ND2 N 114.58 0.1 1 647 . 55 ILE H H 6.95 0.05 1 648 . 55 ILE HA H 4.47 0.05 1 649 . 55 ILE HB H 1.12 0.05 1 650 . 55 ILE HG12 H 0.87 0.05 1 651 . 55 ILE HG13 H 0.87 0.05 1 652 . 55 ILE HG2 H 0.36 0.05 1 653 . 55 ILE HD1 H 0.46 0.05 1 654 . 55 ILE C C 173.18 0.1 1 655 . 55 ILE CA C 60.92 0.1 1 656 . 55 ILE CB C 39.39 0.1 1 657 . 55 ILE CG1 C 28.01 0.1 1 658 . 55 ILE CG2 C 19.06 0.1 1 659 . 55 ILE CD1 C 13.96 0.1 1 660 . 55 ILE N N 117.28 0.1 1 661 . 56 PHE H H 8.69 0.05 1 662 . 56 PHE HA H 5.87 0.05 1 663 . 56 PHE HB2 H 2.16 0.05 2 664 . 56 PHE HB3 H 3.39 0.05 2 665 . 56 PHE HD1 H 7.24 0.05 1 666 . 56 PHE HD2 H 7.24 0.05 1 667 . 56 PHE HE1 H 7.07 0.05 1 668 . 56 PHE HE2 H 7.07 0.05 1 669 . 56 PHE HZ H 7.50 0.05 1 670 . 56 PHE C C 175.26 0.1 1 671 . 56 PHE CA C 56.45 0.1 1 672 . 56 PHE CB C 46.17 0.1 1 673 . 56 PHE CD1 C 132.20 0.1 1 674 . 56 PHE CD2 C 132.20 0.1 1 675 . 56 PHE CE1 C 132.35 0.1 1 676 . 56 PHE CE2 C 132.35 0.1 1 677 . 56 PHE CZ C 131.35 0.1 1 678 . 56 PHE N N 122.78 0.1 1 679 . 57 CYS H H 9.82 0.05 1 680 . 57 CYS HA H 5.32 0.05 1 681 . 57 CYS HB2 H 2.67 0.05 2 682 . 57 CYS HB3 H 3.59 0.05 2 683 . 57 CYS C C 176.98 0.1 1 684 . 57 CYS CA C 58.23 0.1 1 685 . 57 CYS CB C 31.45 0.1 1 686 . 57 CYS N N 119.10 0.1 1 687 . 58 ALA H H 9.90 0.05 1 688 . 58 ALA HA H 3.38 0.05 1 689 . 58 ALA HB H 1.40 0.05 1 690 . 58 ALA C C 179.99 0.1 1 691 . 58 ALA CA C 54.97 0.1 1 692 . 58 ALA CB C 18.50 0.1 1 693 . 58 ALA N N 123.58 0.1 1 694 . 59 GLU H H 8.48 0.05 1 695 . 59 GLU HA H 3.98 0.05 1 696 . 59 GLU HB2 H 2.05 0.05 2 697 . 59 GLU HB3 H 2.36 0.05 2 698 . 59 GLU HG2 H 2.25 0.05 2 699 . 59 GLU HG3 H 2.46 0.05 2 700 . 59 GLU C C 178.90 0.1 1 701 . 59 GLU CA C 60.46 0.1 1 702 . 59 GLU CB C 29.27 0.1 1 703 . 59 GLU CG C 38.39 0.1 1 704 . 59 GLU N N 118.50 0.1 1 705 . 60 CYS H H 7.98 0.05 1 706 . 60 CYS HA H 4.20 0.05 1 707 . 60 CYS HB2 H 3.05 0.05 2 708 . 60 CYS HB3 H 3.36 0.05 2 709 . 60 CYS C C 173.60 0.1 1 710 . 60 CYS CA C 61.07 0.1 1 711 . 60 CYS CB C 31.18 0.1 1 712 . 60 CYS N N 121.80 0.1 1 713 . 61 SER H H 7.35 0.05 1 714 . 61 SER HA H 4.75 0.05 1 715 . 61 SER HB2 H 3.05 0.05 2 716 . 61 SER HB3 H 3.51 0.05 2 717 . 61 SER C C 172.69 0.1 1 718 . 61 SER CA C 56.70 0.1 1 719 . 61 SER CB C 61.85 0.1 1 720 . 61 SER N N 113.15 0.1 1 721 . 62 ALA H H 8.16 0.05 1 722 . 62 ALA HA H 4.18 0.05 1 723 . 62 ALA HB H 1.34 0.05 1 724 . 62 ALA C C 178.22 0.1 1 725 . 62 ALA CA C 52.80 0.1 1 726 . 62 ALA CB C 19.17 0.1 1 727 . 62 ALA N N 122.37 0.1 1 728 . 63 LYS H H 8.28 0.05 1 729 . 63 LYS HA H 4.20 0.05 1 730 . 63 LYS HB2 H 1.18 0.05 2 731 . 63 LYS HB3 H 1.44 0.05 2 732 . 63 LYS HG2 H 0.80 0.05 2 733 . 63 LYS HG3 H 0.88 0.05 2 734 . 63 LYS HD2 H 0.45 0.05 2 735 . 63 LYS HD3 H 0.49 0.05 2 736 . 63 LYS HE2 H 2.35 0.05 1 737 . 63 LYS HE3 H 2.35 0.05 1 738 . 63 LYS C C 174.60 0.1 1 739 . 63 LYS CA C 55.23 0.1 1 740 . 63 LYS CB C 33.80 0.1 1 741 . 63 LYS CG C 25.08 0.1 1 742 . 63 LYS CD C 28.34 0.1 1 743 . 63 LYS CE C 41.92 0.1 1 744 . 63 LYS N N 119.29 0.1 1 745 . 64 ASN H H 7.87 0.05 1 746 . 64 ASN HA H 5.64 0.05 1 747 . 64 ASN HB2 H 2.12 0.05 2 748 . 64 ASN HB3 H 2.39 0.05 2 749 . 64 ASN HD21 H 6.54 0.05 2 750 . 64 ASN HD22 H 7.17 0.05 2 751 . 64 ASN C C 174.62 0.1 1 752 . 64 ASN CA C 51.36 0.1 1 753 . 64 ASN CB C 42.70 0.1 1 754 . 64 ASN CG C 176.15 0.1 1 755 . 64 ASN N N 114.51 0.1 1 756 . 64 ASN ND2 N 112.61 0.1 1 757 . 65 ALA H H 9.29 0.05 1 758 . 65 ALA HA H 4.68 0.05 1 759 . 65 ALA HB H 1.29 0.05 1 760 . 65 ALA C C 175.92 0.1 1 761 . 65 ALA CA C 51.12 0.1 1 762 . 65 ALA CB C 23.99 0.1 1 763 . 65 ALA N N 120.91 0.1 1 764 . 66 LEU H H 8.44 0.05 1 765 . 66 LEU HA H 4.31 0.05 1 766 . 66 LEU HB2 H 1.55 0.05 2 767 . 66 LEU HB3 H 1.66 0.05 2 768 . 66 LEU HG H 1.48 0.05 1 769 . 66 LEU HD1 H 0.67 0.05 2 770 . 66 LEU HD2 H 0.79 0.05 2 771 . 66 LEU C C 176.48 0.1 1 772 . 66 LEU CA C 55.27 0.1 1 773 . 66 LEU CB C 42.14 0.1 1 774 . 66 LEU CG C 27.21 0.1 1 775 . 66 LEU CD1 C 24.00 0.1 2 776 . 66 LEU CD2 C 24.88 0.1 2 777 . 66 LEU N N 121.44 0.1 1 778 . 67 THR H H 8.34 0.05 1 779 . 67 THR HA H 4.83 0.05 1 780 . 67 THR HB H 4.61 0.05 1 781 . 67 THR HG2 H 1.03 0.05 1 782 . 67 THR CA C 59.07 0.1 1 783 . 67 THR CB C 68.86 0.1 1 784 . 67 THR CG2 C 21.99 0.1 1 785 . 67 THR N N 115.39 0.1 1 786 . 68 PRO HA H 4.35 0.05 1 787 . 68 PRO HB2 H 1.93 0.05 2 788 . 68 PRO HB3 H 2.40 0.05 2 789 . 68 PRO HG2 H 1.97 0.05 2 790 . 68 PRO HG3 H 2.13 0.05 2 791 . 68 PRO HD2 H 3.74 0.05 2 792 . 68 PRO HD3 H 3.89 0.05 2 793 . 68 PRO C C 177.45 0.1 1 794 . 68 PRO CA C 64.78 0.1 1 795 . 68 PRO CB C 32.01 0.1 1 796 . 68 PRO CG C 27.89 0.1 1 797 . 68 PRO CD C 50.72 0.1 1 798 . 69 SER H H 7.75 0.05 1 799 . 69 SER HA H 4.50 0.05 1 800 . 69 SER HB2 H 3.86 0.05 2 801 . 69 SER HB3 H 3.97 0.05 2 802 . 69 SER C C 174.11 0.1 1 803 . 69 SER CA C 58.43 0.1 1 804 . 69 SER CB C 64.11 0.1 1 805 . 69 SER N N 108.77 0.1 1 806 . 70 SER H H 7.75 0.05 1 807 . 70 SER HA H 4.67 0.05 1 808 . 70 SER HB2 H 3.93 0.05 2 809 . 70 SER HB3 H 4.00 0.05 2 810 . 70 SER CA C 57.90 0.1 1 811 . 70 SER CB C 64.77 0.1 1 812 . 70 SER N N 117.16 0.1 1 813 . 71 LYS H H 8.73 0.05 1 814 . 71 LYS HA H 4.29 0.05 1 815 . 71 LYS HB2 H 1.78 0.05 2 816 . 71 LYS HB3 H 1.97 0.05 2 817 . 71 LYS HG2 H 1.42 0.05 2 818 . 71 LYS HG3 H 1.50 0.05 2 819 . 71 LYS HD2 H 1.66 0.05 1 820 . 71 LYS HD3 H 1.66 0.05 1 821 . 71 LYS HE2 H 2.98 0.05 1 822 . 71 LYS HE3 H 2.98 0.05 1 823 . 71 LYS C C 175.80 0.1 1 824 . 71 LYS CA C 56.81 0.1 1 825 . 71 LYS CB C 32.47 0.1 1 826 . 71 LYS CG C 25.09 0.1 1 827 . 71 LYS CD C 29.04 0.1 1 828 . 71 LYS CE C 42.22 0.1 1 829 . 71 LYS N N 122.29 0.1 1 830 . 72 LYS H H 7.86 0.05 1 831 . 72 LYS HA H 4.75 0.05 1 832 . 72 LYS HB2 H 1.67 0.05 2 833 . 72 LYS HB3 H 1.80 0.05 2 834 . 72 LYS HG2 H 1.37 0.05 1 835 . 72 LYS HG3 H 1.37 0.05 1 836 . 72 LYS HD2 H 1.67 0.05 1 837 . 72 LYS HD3 H 1.67 0.05 1 838 . 72 LYS HE2 H 3.57 0.05 2 839 . 72 LYS HE3 H 3.84 0.05 2 840 . 72 LYS CA C 53.02 0.1 1 841 . 72 LYS CB C 33.34 0.1 1 842 . 72 LYS N N 118.27 0.1 1 843 . 73 PRO HA H 4.15 0.05 1 844 . 73 PRO HB2 H 1.73 0.05 2 845 . 73 PRO HB3 H 1.90 0.05 2 846 . 73 PRO HG2 H 1.83 0.05 2 847 . 73 PRO HG3 H 2.12 0.05 2 848 . 73 PRO HD2 H 3.57 0.05 2 849 . 73 PRO HD3 H 3.85 0.05 2 850 . 73 PRO C C 176.13 0.1 1 851 . 73 PRO CA C 63.38 0.1 1 852 . 73 PRO CB C 32.08 0.1 1 853 . 73 PRO CG C 28.12 0.1 1 854 . 73 PRO CD C 50.62 0.1 1 855 . 74 VAL H H 8.68 0.05 1 856 . 74 VAL HA H 4.69 0.05 1 857 . 74 VAL HB H 2.18 0.05 1 858 . 74 VAL HG1 H 0.94 0.05 2 859 . 74 VAL HG2 H 1.01 0.05 2 860 . 74 VAL C C 174.29 0.1 1 861 . 74 VAL CA C 59.17 0.1 1 862 . 74 VAL CB C 37.61 0.1 1 863 . 74 VAL CG1 C 19.32 0.1 2 864 . 74 VAL CG2 C 22.35 0.1 2 865 . 74 VAL N N 117.44 0.1 1 866 . 75 ARG H H 8.25 0.05 1 867 . 75 ARG HA H 4.34 0.05 1 868 . 75 ARG HB2 H 1.77 0.05 2 869 . 75 ARG HB3 H 2.05 0.05 2 870 . 75 ARG HG2 H 1.11 0.05 2 871 . 75 ARG HG3 H 2.21 0.05 2 872 . 75 ARG HD2 H 3.26 0.05 2 873 . 75 ARG HD3 H 3.39 0.05 2 874 . 75 ARG HE H 7.53 0.05 1 875 . 75 ARG C C 175.60 0.1 1 876 . 75 ARG CA C 57.68 0.1 1 877 . 75 ARG CB C 31.72 0.1 1 878 . 75 ARG CG C 28.41 0.1 1 879 . 75 ARG CD C 43.37 0.1 1 880 . 75 ARG N N 122.00 0.1 1 881 . 75 ARG NE N 84.05 0.1 1 882 . 76 VAL H H 7.90 0.05 1 883 . 76 VAL HA H 5.96 0.05 1 884 . 76 VAL HB H 2.29 0.05 1 885 . 76 VAL HG1 H 0.77 0.05 2 886 . 76 VAL HG2 H 0.92 0.05 2 887 . 76 VAL C C 174.96 0.1 1 888 . 76 VAL CA C 57.36 0.1 1 889 . 76 VAL CB C 37.31 0.1 1 890 . 76 VAL CG1 C 19.77 0.1 2 891 . 76 VAL CG2 C 22.39 0.1 2 892 . 76 VAL N N 117.23 0.1 1 893 . 77 CYS H H 9.23 0.05 1 894 . 77 CYS HA H 4.51 0.05 1 895 . 77 CYS HB2 H 1.30 0.05 2 896 . 77 CYS HB3 H 2.16 0.05 2 897 . 77 CYS C C 175.39 0.1 1 898 . 77 CYS CA C 56.93 0.1 1 899 . 77 CYS CB C 30.20 0.1 1 900 . 77 CYS N N 118.44 0.1 1 901 . 78 ASP H H 7.61 0.05 1 902 . 78 ASP HA H 4.07 0.05 1 903 . 78 ASP HB2 H 2.55 0.05 1 904 . 78 ASP HB3 H 2.55 0.05 1 905 . 78 ASP C C 178.18 0.1 1 906 . 78 ASP CA C 58.07 0.1 1 907 . 78 ASP CB C 39.90 0.1 1 908 . 78 ASP N N 118.39 0.1 1 909 . 79 ALA H H 8.26 0.05 1 910 . 79 ALA HA H 4.15 0.05 1 911 . 79 ALA HB H 1.54 0.05 1 912 . 79 ALA C C 180.93 0.1 1 913 . 79 ALA CA C 56.08 0.1 1 914 . 79 ALA CB C 18.70 0.1 1 915 . 79 ALA N N 123.60 0.1 1 916 . 80 CYS H H 9.01 0.05 1 917 . 80 CYS HA H 3.90 0.05 1 918 . 80 CYS HB2 H 2.49 0.05 2 919 . 80 CYS HB3 H 3.01 0.05 2 920 . 80 CYS C C 177.99 0.1 1 921 . 80 CYS CA C 65.30 0.1 1 922 . 80 CYS CB C 29.35 0.1 1 923 . 80 CYS N N 122.96 0.1 1 924 . 81 PHE H H 8.80 0.05 1 925 . 81 PHE HA H 3.62 0.05 1 926 . 81 PHE HB2 H 2.95 0.05 2 927 . 81 PHE HB3 H 3.18 0.05 2 928 . 81 PHE HD1 H 6.96 0.05 1 929 . 81 PHE HD2 H 6.96 0.05 1 930 . 81 PHE HE1 H 7.39 0.05 1 931 . 81 PHE HE2 H 7.39 0.05 1 932 . 81 PHE HZ H 7.30 0.05 1 933 . 81 PHE C C 177.65 0.1 1 934 . 81 PHE CA C 63.09 0.1 1 935 . 81 PHE CB C 38.60 0.1 1 936 . 81 PHE CD1 C 132.04 0.1 1 937 . 81 PHE CD2 C 132.04 0.1 1 938 . 81 PHE CE1 C 131.73 0.1 1 939 . 81 PHE CE2 C 131.73 0.1 1 940 . 81 PHE CZ C 130.49 0.1 1 941 . 81 PHE N N 119.25 0.1 1 942 . 82 ASN HA H 4.32 0.05 1 943 . 82 ASN HB2 H 2.90 0.05 1 944 . 82 ASN HB3 H 2.90 0.05 1 945 . 82 ASN HD21 H 6.90 0.05 2 946 . 82 ASN HD22 H 7.68 0.05 2 947 . 82 ASN C C 177.94 0.1 1 948 . 82 ASN CA C 56.00 0.1 1 949 . 82 ASN CB C 38.39 0.1 1 950 . 82 ASN CG C 176.22 0.1 1 951 . 82 ASN N N 116.26 0.1 1 952 . 82 ASN ND2 N 112.96 0.1 1 953 . 83 ASP H H 7.85 0.05 1 954 . 83 ASP HA H 4.40 0.05 1 955 . 83 ASP HB2 H 2.67 0.05 2 956 . 83 ASP HB3 H 2.76 0.05 2 957 . 83 ASP C C 177.94 0.1 1 958 . 83 ASP CA C 56.72 0.1 1 959 . 83 ASP CB C 41.17 0.1 1 960 . 83 ASP N N 120.71 0.1 1 961 . 84 LEU H H 7.80 0.05 1 962 . 84 LEU HA H 4.13 0.05 1 963 . 84 LEU HB2 H 1.42 0.05 2 964 . 84 LEU HB3 H 1.52 0.05 2 965 . 84 LEU HG H 1.72 0.05 1 966 . 84 LEU HD1 H 0.65 0.05 2 967 . 84 LEU HD2 H 0.85 0.05 2 968 . 84 LEU C C 177.76 0.1 1 969 . 84 LEU CA C 55.91 0.1 1 970 . 84 LEU CB C 42.41 0.1 1 971 . 84 LEU CG C 26.72 0.1 1 972 . 84 LEU CD1 C 26.32 0.1 2 973 . 84 LEU CD2 C 22.62 0.1 2 974 . 84 LEU N N 118.90 0.1 1 975 . 85 GLN H H 7.55 0.05 1 976 . 85 GLN HA H 4.07 0.05 1 977 . 85 GLN HB2 H 1.78 0.05 2 978 . 85 GLN HB3 H 1.96 0.05 2 979 . 85 GLN HG2 H 2.03 0.05 2 980 . 85 GLN HG3 H 2.18 0.05 2 981 . 85 GLN HE21 H 6.55 0.05 2 982 . 85 GLN HE22 H 6.79 0.05 2 983 . 85 GLN C C 175.79 0.1 1 984 . 85 GLN CA C 55.77 0.1 1 985 . 85 GLN CB C 28.99 0.1 1 986 . 85 GLN CG C 33.45 0.1 1 987 . 85 GLN CD C 180.44 0.1 1 988 . 85 GLN N N 117.79 0.1 1 989 . 85 GLN NE2 N 113.18 0.1 1 990 . 86 GLY H H 7.61 0.05 1 991 . 86 GLY HA2 H 3.69 0.05 1 992 . 86 GLY HA3 H 3.69 0.05 1 993 . 86 GLY CA C 46.32 0.1 1 994 . 86 GLY N N 114.28 0.1 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PtdIns3P _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 . 1 PTDINS3P C1' C 78.48 0.1 1 2 . 1 PTDINS3P C2' C 73.71 0.1 1 3 . 1 PTDINS3P C3' C 76.47 0.1 1 4 . 1 PTDINS3P C4' C 75.15 0.1 1 5 . 1 PTDINS3P C5' C 77.43 0.1 1 6 . 1 PTDINS3P C6' C 74.03 0.1 1 7 . 1 PTDINS3P H1' H 4.10 0.05 1 8 . 1 PTDINS3P H2' H 4.43 0.05 1 9 . 1 PTDINS3P H3' H 4.21 0.05 1 10 . 1 PTDINS3P H4' H 4.02 0.05 1 11 . 1 PTDINS3P H5' H 3.26 0.05 1 12 . 1 PTDINS3P H6' H 3.80 0.05 1 13 . 1 PTDINS3P P2 P -1.78 0.1 1 14 . 1 PTDINS3P P1 P -2.17 0.1 1 15 . 1 PTDINS3P C3 C 66.65 0.1 1 16 . 1 PTDINS3P C2 C 73.66 0.1 1 17 . 1 PTDINS3P C1 C 65.48 0.1 1 18 . 1 PTDINS3P H32 H 4.13 0.05 2 19 . 1 PTDINS3P H33 H 4.13 0.05 2 20 . 1 PTDINS3P H2 H 5.36 0.05 1 21 . 1 PTDINS3P H12 H 4.46 0.05 1 22 . 1 PTDINS3P H13 H 4.32 0.05 1 23 . 1 PTDINS3P C5 C 38.59 0.1 1 24 . 1 PTDINS3P C6 C 20.71 0.1 1 25 . 1 PTDINS3P C7 C 15.55 0.1 1 26 . 1 PTDINS3P H52 H 2.43 0.05 2 27 . 1 PTDINS3P H53 H 2.43 0.05 2 28 . 1 PTDINS3P H62 H 1.64 0.05 2 29 . 1 PTDINS3P H63 H 1.64 0.05 2 30 . 1 PTDINS3P H71 H 0.94 0.05 2 31 . 1 PTDINS3P H72 H 0.94 0.05 2 32 . 1 PTDINS3P H73 H 0.94 0.05 2 33 . 1 PTDINS3P C9 C 38.45 0.1 2 34 . 1 PTDINS3P C10 C 20.71 0.1 2 35 . 1 PTDINS3P C11 C 15.55 0.1 2 36 . 1 PTDINS3P H92 H 2.40 0.05 2 37 . 1 PTDINS3P H93 H 2.40 0.05 2 38 . 1 PTDINS3P H102 H 1.64 0.05 2 39 . 1 PTDINS3P H103 H 1.64 0.05 2 40 . 1 PTDINS3P H111 H 0.94 0.05 2 41 . 1 PTDINS3P H112 H 0.94 0.05 2 42 . 1 PTDINS3P H113 H 0.94 0.05 2 stop_ save_