data_15796 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; E2-c-Cbl recognition is necessary but not sufficient for ubiquitination activity ; _BMRB_accession_number 15796 _BMRB_flat_file_name bmr15796.str _Entry_type original _Submission_date 2008-06-06 _Accession_date 2008-06-06 _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 Huang Anding . . 2 'De Jong' Rob N. . 3 Hans Wienk . . 4 Sebastiaan Winkler G. . 5 Marc Timmers H.Th. . 6 Rolf Boelens . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 516 "13C chemical shifts" 403 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2009-02-24 update BMRB 'complete entry citation' 2008-11-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'E2-c-Cbl recognition is necessary but not sufficient for ubiquitination activity' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18996392 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Anding . . 2 'De Jong' Rob N. . 3 Wienk Hans . . 4 Winkler Sebastiaan . . 5 Timmers Marc . . 6 Boelens Rolf . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 385 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 507 _Page_last 519 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name E2-c-Cbl _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label E2-c-Cbl $entity_1 'ZINC ION_1' $ZN 'ZINC ION_2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; Distance \u201cSG 381 27\u201d and \u201cZN 500\u201d Distance=1.93 A Distance \u201cSG 384 30\u201d and \u201cZN 500\u201d Distance=1.86 A Distance \u201cSG 401 47\u201d and \u201cZN 500\u201d Distance=1.85 A Distance \u201cSG 404 50\u201d and \u201cZN 500\u201d Distance=1.83 A Distance \u201cSG 396 42\u201d and \u201cZN 600\u201d Distance=1.78 A Distance \u201cND1 398 44\u201d and \u201cZN 600\u201dDistance=2.58 A Distance \u201cSG 416 62\u201d and \u201cZN 600\u201d Distance=1.81 A Distance \u201cSG 421 65\u201d and \u201cZN 600\u201d Distance=1.78 A ; save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E2-c-Cbl _Molecular_mass 9387.704 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; GSLQDHIKVTQEQYELYCEM GSTFQLCKICAENDKDVKIE PCGHLMCTSCLTSWQESEGQ GCPFCRCEIKGTEPIVVDPF DPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 355 GLY 2 356 SER 3 357 LEU 4 358 GLN 5 359 ASP 6 360 HIS 7 361 ILE 8 362 LYS 9 363 VAL 10 364 THR 11 365 GLN 12 366 GLU 13 367 GLN 14 368 TYR 15 369 GLU 16 370 LEU 17 371 TYR 18 372 CYS 19 373 GLU 20 374 MET 21 375 GLY 22 376 SER 23 377 THR 24 378 PHE 25 379 GLN 26 380 LEU 27 381 CYS 28 382 LYS 29 383 ILE 30 384 CYS 31 385 ALA 32 386 GLU 33 387 ASN 34 388 ASP 35 389 LYS 36 390 ASP 37 391 VAL 38 392 LYS 39 393 ILE 40 394 GLU 41 395 PRO 42 396 CYS 43 397 GLY 44 398 HIS 45 399 LEU 46 400 MET 47 401 CYS 48 402 THR 49 403 SER 50 404 CYS 51 405 LEU 52 406 THR 53 407 SER 54 408 TRP 55 409 GLN 56 410 GLU 57 411 SER 58 412 GLU 59 413 GLY 60 414 GLN 61 415 GLY 62 416 CYS 63 417 PRO 64 418 PHE 65 419 CYS 66 420 ARG 67 421 CYS 68 422 GLU 69 423 ILE 70 424 LYS 71 425 GLY 72 426 THR 73 427 GLU 74 428 PRO 75 429 ILE 76 430 VAL 77 431 VAL 78 432 ASP 79 433 PRO 80 434 PHE 81 435 ASP 82 436 PRO 83 437 ARG 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 1FBV "Structure Of A Cbl-Ubch7 Complex: Ring Domain Function In Ubiquitin-Protein Ligases" 92.77 388 100.00 100.00 3.37e-47 PDB 2K4D "E2-C-Cbl Recognition Is Necessary But Not Sufficient For Ubiquitination Activity" 100.00 83 100.00 100.00 2.54e-53 PDB 2Y1M "Structure Of Native C-Cbl" 93.98 389 100.00 100.00 4.81e-48 PDB 2Y1N "Structure Of C-Cbl-Zap-70 Peptide Complex" 93.98 389 100.00 100.00 4.81e-48 PDB 4A49 "Structure Of Phosphotyr371-C-Cbl-Ubch5b Complex" 93.98 84 97.44 98.72 2.11e-47 PDB 4A4B "Structure Of Modified Phosphotyr371-C-Cbl-Ubch5b-Zap-70 Complex" 93.98 391 97.44 98.72 2.77e-46 PDB 4A4C "Structure Of Phosphotyr371-C-Cbl-Ubch5b-Zap-70 Complex" 93.98 391 98.72 98.72 8.69e-47 DBJ BAC26087 "unnamed protein product [Mus musculus]" 96.39 913 100.00 100.00 7.05e-49 DBJ BAE32253 "unnamed protein product [Mus musculus]" 96.39 913 100.00 100.00 7.05e-49 EMBL CAA40393 "c-cbl [Homo sapiens]" 96.39 906 100.00 100.00 9.98e-49 GB AAF43710 "Cbl proto-oncogene protein, partial [Xenopus laevis]" 96.39 565 100.00 100.00 3.24e-50 GB AAG60692 "tyrosine kinase negative regulator Cbl [Gallus gallus]" 96.39 903 98.75 100.00 1.67e-48 GB AAH76671 "Cas-Br-M (murine) ecotropic retroviral transforming sequence b [Xenopus (Silurana) tropicalis]" 96.39 982 97.50 98.75 2.96e-47 GB AAH93450 "cbl-prov protein, partial [Xenopus (Silurana) tropicalis]" 96.39 923 100.00 100.00 3.33e-50 GB AAI21225 "Unknown (protein for IMAGE:7695174), partial [Xenopus (Silurana) tropicalis]" 96.39 923 100.00 100.00 3.33e-50 REF NP_001006802 "E3 ubiquitin-protein ligase CBL-B [Xenopus (Silurana) tropicalis]" 96.39 982 97.50 98.75 2.96e-47 REF NP_001122110 "E3 ubiquitin-protein ligase CBL [Xenopus (Silurana) tropicalis]" 96.39 888 100.00 100.00 1.65e-50 REF NP_001245076 "E3 ubiquitin-protein ligase CBL [Macaca mulatta]" 96.39 907 100.00 100.00 9.94e-49 REF NP_005179 "E3 ubiquitin-protein ligase CBL [Homo sapiens]" 96.39 906 100.00 100.00 9.49e-49 REF NP_031645 "E3 ubiquitin-protein ligase CBL [Mus musculus]" 96.39 913 100.00 100.00 7.05e-49 SP P22681 "RecName: Full=E3 ubiquitin-protein ligase CBL; AltName: Full=Casitas B-lineage lymphoma proto-oncogene; AltName: Full=Proto-onc" 96.39 906 100.00 100.00 9.49e-49 SP P22682 "RecName: Full=E3 ubiquitin-protein ligase CBL; AltName: Full=Casitas B-lineage lymphoma proto-oncogene; AltName: Full=Proto-onc" 96.39 913 100.00 100.00 7.05e-49 SP Q6DFR2 "RecName: Full=E3 ubiquitin-protein ligase CBL-B; AltName: Full=SH3-binding protein CBL-B; AltName: Full=Signal transduction pro" 96.39 982 97.50 98.75 2.96e-47 TPG DAA22315 "TPA: c-cbl-like [Bos taurus]" 96.39 936 100.00 100.00 1.34e-48 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 . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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 $entity_1 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 $entity_1 'recombinant technology' . Escherichia coli 'BL21(DE3) Rosetta 2' pLICHISGST stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'zinc chloride' 100 uM 'natural abundance' PMSF 0.2 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'zinc chloride' 100 uM 'natural abundance' PMSF 0.2 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details 'followed by water refinement according to RECOORD protocols' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCACO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_CNH-NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CNH-NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.3 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HNCACO' '3D CNH-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name E2-c-Cbl _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 1 357 3 LEU HA H 4.257 0.003 1 2 357 3 LEU HB2 H 1.552 0.005 2 3 357 3 LEU HB3 H 1.587 0.007 2 4 357 3 LEU HD1 H 0.809 0.003 1 5 357 3 LEU HD2 H 0.846 0.008 1 6 357 3 LEU HG H 1.576 0.003 1 7 357 3 LEU C C 174.994 0.001 1 8 357 3 LEU CA C 53.329 0.087 1 9 357 3 LEU CB C 39.382 0.047 1 10 357 3 LEU CD1 C 21.036 0.009 2 11 357 3 LEU CD2 C 22.074 0.042 2 12 357 3 LEU CG C 24.299 0.112 1 13 358 4 GLN H H 8.234 0.004 1 14 358 4 GLN HA H 4.211 0.007 1 15 358 4 GLN HB2 H 1.903 0.005 2 16 358 4 GLN HB3 H 2.002 0.006 2 17 358 4 GLN HE21 H 6.799 0.003 2 18 358 4 GLN HE22 H 7.461 0.003 2 19 358 4 GLN HG2 H 2.214 0.003 2 20 358 4 GLN HG3 H 2.291 0.003 2 21 358 4 GLN C C 173.357 0.010 1 22 358 4 GLN CA C 53.791 0.052 1 23 358 4 GLN CB C 26.456 0.048 1 24 358 4 GLN CG C 31.182 0.074 1 25 358 4 GLN N N 119.506 0.032 1 26 358 4 GLN NE2 N 112.374 0.030 1 27 359 5 ASP H H 8.090 0.007 1 28 359 5 ASP HA H 4.458 0.003 1 29 359 5 ASP HB2 H 2.568 0.003 2 30 359 5 ASP HB3 H 2.568 0.003 2 31 359 5 ASP C C 173.492 0.011 1 32 359 5 ASP CA C 52.309 0.062 1 33 359 5 ASP CB C 38.312 0.047 1 34 359 5 ASP N N 120.683 0.048 1 35 360 6 HIS H H 8.103 0.006 1 36 360 6 HIS HA H 4.540 0.007 1 37 360 6 HIS HB2 H 3.047 0.003 2 38 360 6 HIS HB3 H 3.082 0.005 2 39 360 6 HIS HD2 H 6.960 0.002 1 40 360 6 HIS HE1 H 7.864 0.001 1 41 360 6 HIS C C 172.801 0.006 1 42 360 6 HIS CA C 53.874 0.087 1 43 360 6 HIS CB C 27.878 0.056 1 44 360 6 HIS CD2 C 117.018 0.001 1 45 360 6 HIS CE1 C 135.411 0.001 1 46 360 6 HIS N N 118.844 0.021 1 47 361 7 ILE H H 7.862 0.007 1 48 361 7 ILE HA H 4.010 0.004 1 49 361 7 ILE HB H 1.770 0.003 1 50 361 7 ILE HD1 H 0.743 0.005 1 51 361 7 ILE HG12 H 1.043 0.003 2 52 361 7 ILE HG13 H 1.341 0.004 2 53 361 7 ILE HG2 H 0.785 0.007 1 54 361 7 ILE C C 173.268 0.001 1 55 361 7 ILE CA C 58.740 0.076 1 56 361 7 ILE CB C 35.788 0.085 1 57 361 7 ILE CD1 C 10.174 0.047 1 58 361 7 ILE CG1 C 24.743 0.042 1 59 361 7 ILE CG2 C 14.742 0.062 1 60 361 7 ILE N N 121.598 0.078 1 61 362 8 LYS H H 8.231 0.008 1 62 362 8 LYS HA H 4.313 0.008 1 63 362 8 LYS HB2 H 1.702 0.006 2 64 362 8 LYS HB3 H 1.771 0.007 2 65 362 8 LYS HD2 H 1.616 0.002 2 66 362 8 LYS HD3 H 1.616 0.002 2 67 362 8 LYS HE2 H 2.924 0.003 2 68 362 8 LYS HE3 H 2.924 0.003 2 69 362 8 LYS HG2 H 1.328 0.004 2 70 362 8 LYS HG3 H 1.390 0.003 2 71 362 8 LYS C C 173.899 0.009 1 72 362 8 LYS CA C 53.677 0.082 1 73 362 8 LYS CB C 30.355 0.053 1 74 362 8 LYS CD C 26.404 0.069 1 75 362 8 LYS CE C 39.469 0.030 1 76 362 8 LYS CG C 22.106 0.066 1 77 362 8 LYS N N 124.980 0.057 1 78 363 9 VAL H H 8.044 0.006 1 79 363 9 VAL HA H 4.089 0.010 1 80 363 9 VAL HB H 2.045 0.006 1 81 363 9 VAL HG1 H 0.874 0.005 1 82 363 9 VAL HG2 H 0.879 0.002 1 83 363 9 VAL C C 173.760 0.001 1 84 363 9 VAL CA C 59.814 0.078 1 85 363 9 VAL CB C 30.058 0.086 1 86 363 9 VAL CG1 C 18.081 0.105 2 87 363 9 VAL CG2 C 18.567 0.073 2 88 363 9 VAL N N 121.366 0.082 1 89 364 10 THR H H 8.076 0.006 1 90 364 10 THR HA H 4.302 0.006 1 91 364 10 THR HB H 4.292 0.003 1 92 364 10 THR HG2 H 1.150 0.003 1 93 364 10 THR C C 172.135 0.012 1 94 364 10 THR CA C 59.134 0.063 1 95 364 10 THR CB C 67.415 0.070 1 96 364 10 THR CG2 C 19.070 0.049 1 97 364 10 THR N N 116.817 0.038 1 98 365 11 GLN H H 8.463 0.009 1 99 365 11 GLN HA H 4.046 0.005 1 100 365 11 GLN HB2 H 1.902 0.005 2 101 365 11 GLN HB3 H 1.995 0.003 2 102 365 11 GLN HE21 H 6.751 0.003 2 103 365 11 GLN HE22 H 7.581 0.004 2 104 365 11 GLN HG2 H 2.288 0.003 2 105 365 11 GLN HG3 H 2.288 0.003 2 106 365 11 GLN C C 173.944 0.020 1 107 365 11 GLN CA C 54.517 0.082 1 108 365 11 GLN CB C 26.250 0.067 1 109 365 11 GLN CG C 30.928 0.077 1 110 365 11 GLN N N 122.059 0.023 1 111 365 11 GLN NE2 N 112.161 0.028 1 112 366 12 GLU H H 8.449 0.004 1 113 366 12 GLU HA H 4.093 0.004 1 114 366 12 GLU HB2 H 1.903 0.004 2 115 366 12 GLU HB3 H 1.903 0.004 2 116 366 12 GLU HG2 H 2.210 0.004 2 117 366 12 GLU HG3 H 2.210 0.004 2 118 366 12 GLU C C 174.746 0.012 1 119 366 12 GLU CA C 55.235 0.044 1 120 366 12 GLU CB C 27.180 0.042 1 121 366 12 GLU CG C 33.741 0.039 1 122 366 12 GLU N N 120.415 0.053 1 123 367 13 GLN H H 8.031 0.006 1 124 367 13 GLN HA H 4.113 0.008 1 125 367 13 GLN HB2 H 1.912 0.005 2 126 367 13 GLN HB3 H 1.995 0.004 2 127 367 13 GLN HE21 H 6.654 0.004 2 128 367 13 GLN HE22 H 7.343 0.003 2 129 367 13 GLN HG2 H 2.219 0.003 2 130 367 13 GLN HG3 H 2.219 0.003 2 131 367 13 GLN C C 173.693 0.006 1 132 367 13 GLN CA C 54.132 0.091 1 133 367 13 GLN CB C 26.420 0.050 1 134 367 13 GLN CG C 31.236 0.039 1 135 367 13 GLN N N 119.721 0.025 1 136 367 13 GLN NE2 N 111.640 0.034 1 137 368 14 TYR H H 8.111 0.013 1 138 368 14 TYR HA H 4.339 0.003 1 139 368 14 TYR HB2 H 2.881 0.005 2 140 368 14 TYR HB3 H 2.968 0.006 2 141 368 14 TYR HD1 H 6.995 0.004 3 142 368 14 TYR HD2 H 6.995 0.004 3 143 368 14 TYR HE1 H 6.741 0.005 3 144 368 14 TYR HE2 H 6.741 0.005 3 145 368 14 TYR C C 173.916 0.023 1 146 368 14 TYR CA C 56.572 0.079 1 147 368 14 TYR CB C 35.879 0.049 1 148 368 14 TYR CD1 C 130.451 0.001 3 149 368 14 TYR CE1 C 115.700 0.001 3 150 368 14 TYR N N 120.541 0.041 1 151 369 15 GLU H H 8.287 0.007 1 152 369 15 GLU HA H 4.009 0.008 1 153 369 15 GLU HB2 H 1.918 0.006 2 154 369 15 GLU HB3 H 1.918 0.006 2 155 369 15 GLU HG2 H 2.182 0.007 2 156 369 15 GLU HG3 H 2.182 0.007 2 157 369 15 GLU C C 174.448 0.012 1 158 369 15 GLU CA C 55.047 0.074 1 159 369 15 GLU CB C 27.226 0.057 1 160 369 15 GLU CG C 33.840 0.076 1 161 369 15 GLU N N 120.398 0.045 1 162 370 16 LEU H H 7.785 0.003 1 163 370 16 LEU HA H 4.138 0.005 1 164 370 16 LEU HB2 H 1.413 0.007 2 165 370 16 LEU HB3 H 1.504 0.005 2 166 370 16 LEU HD1 H 0.738 0.003 1 167 370 16 LEU HD2 H 0.799 0.003 1 168 370 16 LEU HG H 1.422 0.004 1 169 370 16 LEU C C 175.089 0.021 1 170 370 16 LEU CA C 53.425 0.091 1 171 370 16 LEU CB C 39.554 0.051 1 172 370 16 LEU CD1 C 21.184 0.029 2 173 370 16 LEU CD2 C 21.999 0.045 2 174 370 16 LEU CG C 24.235 0.089 1 175 370 16 LEU N N 121.323 0.041 1 176 371 17 TYR H H 8.038 0.009 1 177 371 17 TYR HA H 4.380 0.006 1 178 371 17 TYR HB2 H 2.905 0.005 2 179 371 17 TYR HB3 H 2.905 0.005 2 180 371 17 TYR HD1 H 7.019 0.007 3 181 371 17 TYR HD2 H 7.019 0.007 3 182 371 17 TYR HE1 H 6.738 0.009 3 183 371 17 TYR HE2 H 6.738 0.009 3 184 371 17 TYR C C 173.931 0.001 1 185 371 17 TYR CA C 56.143 0.091 1 186 371 17 TYR CB C 35.501 0.063 1 187 371 17 TYR CD1 C 130.500 0.001 3 188 371 17 TYR CE1 C 115.600 0.001 3 189 371 17 TYR N N 119.465 0.031 1 190 372 18 CYS H H 8.021 0.005 1 191 372 18 CYS HA H 4.236 0.002 1 192 372 18 CYS HB2 H 2.734 0.004 2 193 372 18 CYS HB3 H 2.769 0.004 2 194 372 18 CYS C C 172.457 0.001 1 195 372 18 CYS CA C 56.997 0.084 1 196 372 18 CYS CB C 25.080 0.030 1 197 372 18 CYS N N 119.913 0.058 1 198 373 19 GLU H H 8.151 0.005 1 199 373 19 GLU HA H 4.130 0.004 1 200 373 19 GLU HB2 H 2.004 0.005 2 201 373 19 GLU HB3 H 2.004 0.005 2 202 373 19 GLU HG2 H 2.236 0.009 2 203 373 19 GLU HG3 H 2.236 0.009 2 204 373 19 GLU C C 174.151 0.027 1 205 373 19 GLU CA C 54.535 0.105 1 206 373 19 GLU CB C 27.244 0.051 1 207 373 19 GLU CG C 33.568 0.046 1 208 373 19 GLU N N 122.431 0.026 1 209 374 20 MET H H 8.109 0.008 1 210 374 20 MET HA H 4.352 0.008 1 211 374 20 MET HB2 H 1.951 0.005 2 212 374 20 MET HB3 H 2.026 0.005 2 213 374 20 MET HE H 1.934 0.004 1 214 374 20 MET HG2 H 2.437 0.004 2 215 374 20 MET HG3 H 2.525 0.003 2 216 374 20 MET C C 174.200 0.001 1 217 374 20 MET CA C 53.238 0.071 1 218 374 20 MET CB C 30.237 0.082 1 219 374 20 MET CE C 14.239 0.024 1 220 374 20 MET CG C 29.365 0.066 1 221 374 20 MET N N 119.754 0.045 1 222 375 21 GLY H H 8.231 0.004 1 223 375 21 GLY HA2 H 3.861 0.002 2 224 375 21 GLY HA3 H 3.960 0.002 2 225 375 21 GLY C C 171.928 0.001 1 226 375 21 GLY CA C 42.930 0.058 1 227 375 21 GLY N N 109.484 0.046 1 228 376 22 SER HA H 4.492 0.004 1 229 376 22 SER HB2 H 3.822 0.004 2 230 376 22 SER HB3 H 3.859 0.003 2 231 376 22 SER C C 172.206 0.001 1 232 376 22 SER CA C 55.570 0.048 1 233 376 22 SER CB C 61.525 0.033 1 234 377 23 THR H H 8.470 0.005 1 235 377 23 THR HA H 4.295 0.005 1 236 377 23 THR HB H 4.172 0.017 1 237 377 23 THR HG2 H 1.102 0.015 1 238 377 23 THR C C 171.811 0.027 1 239 377 23 THR CA C 58.937 0.083 1 240 377 23 THR CB C 67.250 0.045 1 241 377 23 THR CG2 C 19.007 0.028 1 242 377 23 THR N N 124.043 0.026 1 243 378 24 PHE H H 8.374 0.003 1 244 378 24 PHE HA H 4.239 0.004 1 245 378 24 PHE HB2 H 3.019 0.004 2 246 378 24 PHE HB3 H 3.011 0.001 2 247 378 24 PHE HD1 H 7.130 0.001 3 248 378 24 PHE HD2 H 7.130 0.001 3 249 378 24 PHE HE1 H 7.205 0.001 3 250 378 24 PHE HE2 H 7.205 0.001 3 251 378 24 PHE C C 173.411 0.001 1 252 378 24 PHE CA C 56.697 0.082 1 253 378 24 PHE CB C 36.538 0.027 1 254 378 24 PHE CD1 C 129.800 0.001 3 255 378 24 PHE CE1 C 127.056 0.001 3 256 378 24 PHE N N 124.732 0.008 1 257 379 25 GLN H H 8.457 0.002 1 258 379 25 GLN HA H 4.038 0.004 1 259 379 25 GLN HB2 H 1.895 0.002 2 260 379 25 GLN HB3 H 1.971 0.004 2 261 379 25 GLN HE21 H 6.760 0.007 2 262 379 25 GLN HE22 H 7.647 0.005 2 263 379 25 GLN HG2 H 2.215 0.005 2 264 379 25 GLN HG3 H 2.294 0.006 2 265 379 25 GLN C C 172.431 0.001 1 266 379 25 GLN CA C 54.078 0.079 1 267 379 25 GLN CB C 26.414 0.044 1 268 379 25 GLN CG C 30.796 0.046 1 269 379 25 GLN N N 118.820 0.037 1 270 379 25 GLN NE2 N 112.198 0.052 1 271 380 26 LEU H H 6.985 0.006 1 272 380 26 LEU HA H 4.229 0.007 1 273 380 26 LEU HB2 H 1.152 0.005 2 274 380 26 LEU HB3 H 1.436 0.008 2 275 380 26 LEU HD1 H 0.556 0.004 1 276 380 26 LEU HD2 H 0.624 0.002 1 277 380 26 LEU HG H 1.426 0.009 1 278 380 26 LEU C C 173.895 0.002 1 279 380 26 LEU CA C 52.123 0.090 1 280 380 26 LEU CB C 40.543 0.050 1 281 380 26 LEU CD1 C 20.331 0.085 2 282 380 26 LEU CD2 C 22.362 0.045 2 283 380 26 LEU CG C 23.753 0.080 1 284 380 26 LEU N N 119.079 0.053 1 285 381 27 CYS H H 8.905 0.006 1 286 381 27 CYS HA H 4.013 0.004 1 287 381 27 CYS HB2 H 2.506 0.005 2 288 381 27 CYS HB3 H 3.525 0.002 2 289 381 27 CYS C C 174.439 0.001 1 290 381 27 CYS CA C 57.847 0.085 1 291 381 27 CYS CB C 28.648 0.075 1 292 381 27 CYS N N 125.151 0.075 1 293 382 28 LYS H H 9.351 0.007 1 294 382 28 LYS HA H 4.157 0.004 1 295 382 28 LYS HB2 H 1.905 0.004 2 296 382 28 LYS HB3 H 1.980 0.002 2 297 382 28 LYS HD2 H 1.525 0.003 2 298 382 28 LYS HD3 H 1.525 0.003 2 299 382 28 LYS HE2 H 2.890 0.010 2 300 382 28 LYS HE3 H 2.890 0.010 2 301 382 28 LYS HG2 H 1.471 0.008 2 302 382 28 LYS HG3 H 1.532 0.004 2 303 382 28 LYS C C 174.678 0.018 1 304 382 28 LYS CA C 54.324 0.082 1 305 382 28 LYS CB C 30.086 0.071 1 306 382 28 LYS CD C 25.897 0.068 1 307 382 28 LYS CE C 39.387 0.040 1 308 382 28 LYS CG C 22.694 0.066 1 309 382 28 LYS N N 128.840 0.034 1 310 383 29 ILE H H 9.040 0.004 1 311 383 29 ILE HA H 3.804 0.004 1 312 383 29 ILE HB H 2.433 0.005 1 313 383 29 ILE HD1 H 0.268 0.008 1 314 383 29 ILE HG12 H 0.649 0.003 2 315 383 29 ILE HG13 H 1.466 0.005 2 316 383 29 ILE HG2 H 0.791 0.004 1 317 383 29 ILE C C 174.239 0.006 1 318 383 29 ILE CA C 62.114 0.076 1 319 383 29 ILE CB C 33.870 0.102 1 320 383 29 ILE CD1 C 10.306 0.058 1 321 383 29 ILE CG1 C 25.518 0.045 1 322 383 29 ILE CG2 C 15.177 0.082 1 323 383 29 ILE N N 122.718 0.051 1 324 384 30 CYS H H 7.572 0.003 1 325 384 30 CYS HA H 4.548 0.005 1 326 384 30 CYS HB2 H 2.714 0.002 2 327 384 30 CYS HB3 H 2.964 0.005 2 328 384 30 CYS C C 172.978 0.010 1 329 384 30 CYS CA C 54.957 0.071 1 330 384 30 CYS CB C 29.778 0.059 1 331 384 30 CYS N N 116.356 0.034 1 332 385 31 ALA H H 8.205 0.003 1 333 385 31 ALA HA H 4.107 0.004 1 334 385 31 ALA HB H 1.379 0.002 1 335 385 31 ALA C C 173.139 0.007 1 336 385 31 ALA CA C 50.802 0.038 1 337 385 31 ALA CB C 14.634 0.067 1 338 385 31 ALA N N 125.526 0.044 1 339 386 32 GLU H H 8.416 0.004 1 340 386 32 GLU HA H 4.467 0.005 1 341 386 32 GLU HB2 H 1.823 0.004 2 342 386 32 GLU HB3 H 1.896 0.003 2 343 386 32 GLU HG2 H 2.076 0.005 2 344 386 32 GLU HG3 H 2.186 0.006 2 345 386 32 GLU C C 172.325 0.009 1 346 386 32 GLU CA C 55.146 0.069 1 347 386 32 GLU CB C 31.181 0.053 1 348 386 32 GLU CG C 33.326 0.078 1 349 386 32 GLU N N 117.579 0.035 1 350 387 33 ASN H H 7.872 0.004 1 351 387 33 ASN HA H 4.900 0.005 1 352 387 33 ASN HB2 H 2.843 0.003 2 353 387 33 ASN HB3 H 3.165 0.005 2 354 387 33 ASN HD21 H 7.171 0.003 2 355 387 33 ASN HD22 H 8.333 0.005 2 356 387 33 ASN C C 171.355 0.003 1 357 387 33 ASN CA C 49.320 0.056 1 358 387 33 ASN CB C 38.457 0.047 1 359 387 33 ASN N N 120.399 0.042 1 360 387 33 ASN ND2 N 119.170 0.053 1 361 388 34 ASP H H 8.565 0.003 1 362 388 34 ASP HA H 4.679 0.007 1 363 388 34 ASP HB2 H 2.504 0.004 2 364 388 34 ASP HB3 H 2.386 0.004 2 365 388 34 ASP C C 174.243 0.002 1 366 388 34 ASP CA C 51.809 0.075 1 367 388 34 ASP CB C 38.007 0.063 1 368 388 34 ASP N N 120.661 0.050 1 369 389 35 LYS H H 8.544 0.010 1 370 389 35 LYS HA H 3.411 0.007 1 371 389 35 LYS HB2 H 1.414 0.005 2 372 389 35 LYS HB3 H 1.524 0.007 2 373 389 35 LYS HE2 H 2.864 0.004 2 374 389 35 LYS HE3 H 2.864 0.004 2 375 389 35 LYS HG2 H 1.431 0.002 2 376 389 35 LYS HG3 H 1.431 0.002 2 377 389 35 LYS C C 172.938 0.018 1 378 389 35 LYS CA C 54.973 0.070 1 379 389 35 LYS CB C 30.617 0.149 1 380 389 35 LYS CD C 25.913 0.001 1 381 389 35 LYS CE C 39.194 0.042 1 382 389 35 LYS CG C 22.127 0.098 1 383 389 35 LYS N N 119.199 0.039 1 384 390 36 ASP H H 8.327 0.005 1 385 390 36 ASP HA H 4.724 0.004 1 386 390 36 ASP HB2 H 2.530 0.005 2 387 390 36 ASP HB3 H 3.137 0.007 2 388 390 36 ASP C C 172.860 0.001 1 389 390 36 ASP CA C 51.609 0.077 1 390 390 36 ASP CB C 39.018 0.053 1 391 390 36 ASP N N 119.134 0.046 1 392 391 37 VAL H H 8.544 0.002 1 393 391 37 VAL HA H 4.877 0.003 1 394 391 37 VAL HB H 1.939 0.004 1 395 391 37 VAL HG1 H 0.668 0.006 2 396 391 37 VAL HG2 H 0.801 0.004 2 397 391 37 VAL C C 167.519 0.012 1 398 391 37 VAL CA C 58.259 0.074 1 399 391 37 VAL CB C 32.277 0.093 1 400 391 37 VAL CG1 C 17.351 0.058 2 401 391 37 VAL CG2 C 19.697 0.057 2 402 391 37 VAL N N 121.970 0.032 1 403 392 38 LYS H H 8.621 0.004 1 404 392 38 LYS HA H 4.991 0.006 1 405 392 38 LYS HB2 H 1.314 0.005 2 406 392 38 LYS HB3 H 1.656 0.003 2 407 392 38 LYS HD2 H 1.444 0.004 2 408 392 38 LYS HD3 H 1.521 0.004 2 409 392 38 LYS HE2 H 2.736 0.002 2 410 392 38 LYS HE3 H 2.736 0.002 2 411 392 38 LYS HG2 H 0.963 0.005 2 412 392 38 LYS HG3 H 1.120 0.006 2 413 392 38 LYS C C 172.681 0.008 1 414 392 38 LYS CA C 51.123 0.084 1 415 392 38 LYS CB C 33.697 0.076 1 416 392 38 LYS CD C 27.029 0.070 1 417 392 38 LYS CE C 39.270 0.026 1 418 392 38 LYS CG C 21.747 0.073 1 419 392 38 LYS N N 126.381 0.030 1 420 393 39 ILE H H 8.723 0.005 1 421 393 39 ILE HA H 4.239 0.003 1 422 393 39 ILE HB H 2.169 0.002 1 423 393 39 ILE HD1 H 0.958 0.006 1 424 393 39 ILE HG12 H 1.320 0.003 2 425 393 39 ILE HG13 H 1.628 0.002 2 426 393 39 ILE HG2 H 1.015 0.005 1 427 393 39 ILE C C 172.642 0.005 1 428 393 39 ILE CA C 57.768 0.071 1 429 393 39 ILE CB C 35.691 0.056 1 430 393 39 ILE CD1 C 9.995 0.063 1 431 393 39 ILE CG1 C 25.694 0.057 1 432 393 39 ILE CG2 C 18.942 0.080 1 433 393 39 ILE N N 126.398 0.036 1 434 394 40 GLU H H 8.506 0.003 1 435 394 40 GLU HA H 4.753 0.005 1 436 394 40 GLU HB2 H 1.490 0.003 2 437 394 40 GLU HB3 H 1.763 0.007 2 438 394 40 GLU HG2 H 1.858 0.003 2 439 394 40 GLU HG3 H 2.062 0.005 2 440 394 40 GLU C C 173.596 0.001 1 441 394 40 GLU CA C 49.793 0.065 1 442 394 40 GLU CB C 28.210 0.063 1 443 394 40 GLU CG C 31.851 0.079 1 444 394 40 GLU N N 124.864 0.025 1 445 395 41 PRO HA H 4.864 0.005 1 446 395 41 PRO HB2 H 2.160 0.007 2 447 395 41 PRO HB3 H 2.218 0.003 2 448 395 41 PRO HD2 H 3.381 0.006 2 449 395 41 PRO HD3 H 4.023 0.002 2 450 395 41 PRO HG2 H 1.852 0.004 2 451 395 41 PRO HG3 H 2.011 0.003 2 452 395 41 PRO C C 175.073 0.001 1 453 395 41 PRO CA C 61.111 0.061 1 454 395 41 PRO CB C 32.275 0.075 1 455 395 41 PRO CD C 47.673 0.071 1 456 395 41 PRO CG C 22.022 0.066 1 457 396 42 CYS H H 7.828 0.003 1 458 396 42 CYS HA H 4.208 0.003 1 459 396 42 CYS HB2 H 2.518 0.002 2 460 396 42 CYS HB3 H 2.888 0.003 2 461 396 42 CYS C C 173.877 0.005 1 462 396 42 CYS CA C 58.021 0.058 1 463 396 42 CYS CB C 28.242 0.069 1 464 396 42 CYS N N 122.434 0.036 1 465 397 43 GLY H H 8.679 0.003 1 466 397 43 GLY HA2 H 3.507 0.003 2 467 397 43 GLY HA3 H 3.914 0.004 2 468 397 43 GLY C C 171.981 0.003 1 469 397 43 GLY CA C 43.347 0.074 1 470 397 43 GLY N N 112.123 0.029 1 471 398 44 HIS H H 8.329 0.003 1 472 398 44 HIS HA H 4.339 0.003 1 473 398 44 HIS HB2 H 2.813 0.003 2 474 398 44 HIS HB3 H 3.262 0.005 2 475 398 44 HIS HD2 H 7.033 0.005 1 476 398 44 HIS HE1 H 7.784 0.003 1 477 398 44 HIS C C 170.742 0.007 1 478 398 44 HIS CA C 58.368 0.088 1 479 398 44 HIS CB C 28.434 0.074 1 480 398 44 HIS CD2 C 116.189 0.001 1 481 398 44 HIS CE1 C 135.369 0.001 1 482 398 44 HIS N N 121.393 0.029 1 483 399 45 LEU H H 8.241 0.007 1 484 399 45 LEU HA H 5.570 0.004 1 485 399 45 LEU HB2 H 1.199 0.009 2 486 399 45 LEU HB3 H 1.736 0.005 2 487 399 45 LEU HD1 H 0.802 0.004 1 488 399 45 LEU HD2 H 0.876 0.003 1 489 399 45 LEU HG H 1.841 0.004 1 490 399 45 LEU C C 174.464 0.008 1 491 399 45 LEU CA C 50.729 0.070 1 492 399 45 LEU CB C 43.574 0.058 1 493 399 45 LEU CD1 C 21.749 0.080 2 494 399 45 LEU CD2 C 23.315 0.048 2 495 399 45 LEU CG C 24.552 0.084 1 496 399 45 LEU N N 118.469 0.038 1 497 400 46 MET H H 8.707 0.004 1 498 400 46 MET HA H 4.842 0.006 1 499 400 46 MET HB2 H 2.596 0.008 2 500 400 46 MET HB3 H 2.596 0.008 2 501 400 46 MET HE H 1.792 0.002 1 502 400 46 MET HG2 H 2.087 0.003 2 503 400 46 MET HG3 H 2.500 0.004 2 504 400 46 MET C C 170.736 0.014 1 505 400 46 MET CA C 52.804 0.089 1 506 400 46 MET CB C 31.945 0.086 1 507 400 46 MET CE C 14.836 0.025 1 508 400 46 MET CG C 26.065 0.079 1 509 400 46 MET N N 114.897 0.048 1 510 401 47 CYS H H 9.436 0.005 1 511 401 47 CYS HA H 5.629 0.007 1 512 401 47 CYS HB2 H 2.724 0.004 2 513 401 47 CYS HB3 H 3.507 0.006 2 514 401 47 CYS C C 173.909 0.007 1 515 401 47 CYS CA C 54.325 0.083 1 516 401 47 CYS CB C 30.725 0.058 1 517 401 47 CYS N N 119.575 0.031 1 518 402 48 THR H H 9.842 0.005 1 519 402 48 THR HA H 3.768 0.003 1 520 402 48 THR HB H 4.223 0.004 1 521 402 48 THR HG2 H 1.176 0.003 1 522 402 48 THR C C 174.333 0.014 1 523 402 48 THR CA C 64.516 0.081 1 524 402 48 THR CB C 66.288 0.060 1 525 402 48 THR CG2 C 18.891 0.064 1 526 402 48 THR N N 119.945 0.031 1 527 403 49 SER H H 8.355 0.002 1 528 403 49 SER HA H 4.222 0.004 1 529 403 49 SER HB2 H 4.043 0.005 2 530 403 49 SER HB3 H 4.119 0.004 2 531 403 49 SER C C 175.059 0.001 1 532 403 49 SER CA C 59.828 0.043 1 533 403 49 SER CB C 59.717 0.037 1 534 403 49 SER N N 120.468 0.031 1 535 404 50 CYS H H 9.464 0.005 1 536 404 50 CYS HA H 3.922 0.004 1 537 404 50 CYS HB2 H 2.626 0.004 2 538 404 50 CYS HB3 H 2.987 0.004 2 539 404 50 CYS C C 176.081 0.004 1 540 404 50 CYS CA C 63.076 0.080 1 541 404 50 CYS CB C 26.078 0.101 1 542 404 50 CYS N N 126.744 0.027 1 543 405 51 LEU H H 7.948 0.004 1 544 405 51 LEU HA H 4.064 0.003 1 545 405 51 LEU HB2 H 1.419 0.004 2 546 405 51 LEU HB3 H 2.015 0.003 2 547 405 51 LEU HD1 H 0.936 0.010 1 548 405 51 LEU HD2 H 0.887 0.003 1 549 405 51 LEU HG H 1.550 0.003 1 550 405 51 LEU C C 175.495 0.011 1 551 405 51 LEU CA C 55.914 0.064 1 552 405 51 LEU CB C 38.662 0.071 1 553 405 51 LEU CD1 C 19.515 0.070 2 554 405 51 LEU CD2 C 23.738 0.062 2 555 405 51 LEU N N 121.951 0.032 1 556 406 52 THR H H 8.786 0.005 1 557 406 52 THR HA H 4.024 0.003 1 558 406 52 THR HB H 4.277 0.004 1 559 406 52 THR HG2 H 1.217 0.003 1 560 406 52 THR C C 174.139 0.006 1 561 406 52 THR CA C 64.017 0.074 1 562 406 52 THR CB C 66.115 0.047 1 563 406 52 THR CG2 C 18.837 0.058 1 564 406 52 THR N N 115.258 0.033 1 565 407 53 SER H H 8.115 0.003 1 566 407 53 SER HA H 4.204 0.004 1 567 407 53 SER HB2 H 3.931 0.005 2 568 407 53 SER HB3 H 3.964 0.008 2 569 407 53 SER C C 174.456 0.010 1 570 407 53 SER CA C 59.090 0.061 1 571 407 53 SER CB C 60.146 0.050 1 572 407 53 SER N N 116.852 0.060 1 573 408 54 TRP H H 8.123 0.005 1 574 408 54 TRP HA H 4.371 0.005 1 575 408 54 TRP HB2 H 3.311 0.006 2 576 408 54 TRP HB3 H 3.500 0.004 2 577 408 54 TRP HD1 H 6.934 0.005 1 578 408 54 TRP HE1 H 9.438 0.010 1 579 408 54 TRP HE3 H 7.542 0.005 1 580 408 54 TRP HH2 H 7.067 0.007 1 581 408 54 TRP HZ2 H 7.260 0.003 1 582 408 54 TRP HZ3 H 7.037 0.004 1 583 408 54 TRP C C 175.981 0.019 1 584 408 54 TRP CA C 57.323 0.067 1 585 408 54 TRP CB C 26.812 0.066 1 586 408 54 TRP CD1 C 124.374 0.001 1 587 408 54 TRP CE3 C 118.101 0.001 1 588 408 54 TRP CH2 C 121.982 0.001 1 589 408 54 TRP CZ2 C 112.071 0.001 1 590 408 54 TRP CZ3 C 119.473 0.001 1 591 408 54 TRP N N 123.556 0.031 1 592 408 54 TRP NE1 N 129.448 0.028 1 593 409 55 GLN H H 8.502 0.002 1 594 409 55 GLN HA H 3.999 0.004 1 595 409 55 GLN HB2 H 2.028 0.012 2 596 409 55 GLN HB3 H 2.317 0.003 2 597 409 55 GLN HE21 H 6.799 0.003 2 598 409 55 GLN HE22 H 7.140 0.003 2 599 409 55 GLN HG2 H 2.424 0.002 2 600 409 55 GLN HG3 H 2.724 0.004 2 601 409 55 GLN C C 177.300 0.012 1 602 409 55 GLN CA C 56.484 0.081 1 603 409 55 GLN CB C 26.190 0.067 1 604 409 55 GLN CG C 32.249 0.065 1 605 409 55 GLN N N 118.044 0.032 1 606 409 55 GLN NE2 N 109.838 0.035 1 607 410 56 GLU H H 8.467 0.006 1 608 410 56 GLU HA H 4.057 0.004 1 609 410 56 GLU HB2 H 2.074 0.004 2 610 410 56 GLU HB3 H 2.074 0.004 2 611 410 56 GLU HG2 H 2.247 0.005 2 612 410 56 GLU HG3 H 2.449 0.003 2 613 410 56 GLU C C 174.787 0.006 1 614 410 56 GLU CA C 55.909 0.056 1 615 410 56 GLU CB C 26.895 0.073 1 616 410 56 GLU CG C 34.046 0.047 1 617 410 56 GLU N N 119.448 0.032 1 618 411 57 SER H H 7.438 0.003 1 619 411 57 SER HA H 4.607 0.112 1 620 411 57 SER HB2 H 3.840 0.005 2 621 411 57 SER HB3 H 3.840 0.005 2 622 411 57 SER C C 170.849 0.002 1 623 411 57 SER CA C 55.540 0.056 1 624 411 57 SER CB C 60.928 0.069 1 625 411 57 SER N N 113.752 0.034 1 626 412 58 GLU H H 7.855 0.003 1 627 412 58 GLU HA H 3.772 0.003 1 628 412 58 GLU HB2 H 1.662 0.005 2 629 412 58 GLU HB3 H 1.852 0.004 2 630 412 58 GLU HG2 H 1.742 0.004 2 631 412 58 GLU HG3 H 1.867 0.005 2 632 412 58 GLU C C 173.743 0.017 1 633 412 58 GLU CA C 54.442 0.068 1 634 412 58 GLU CB C 24.603 0.098 1 635 412 58 GLU CG C 33.499 0.054 1 636 412 58 GLU N N 115.908 0.033 1 637 413 59 GLY H H 7.588 0.002 1 638 413 59 GLY HA2 H 1.643 0.008 2 639 413 59 GLY HA3 H 2.949 0.004 2 640 413 59 GLY C C 170.850 0.012 1 641 413 59 GLY CA C 41.724 0.055 1 642 413 59 GLY N N 108.032 0.032 1 643 414 60 GLN H H 7.973 0.008 1 644 414 60 GLN HA H 4.366 0.004 1 645 414 60 GLN HB2 H 1.913 0.006 2 646 414 60 GLN HB3 H 2.072 0.006 2 647 414 60 GLN HE21 H 6.755 0.003 2 648 414 60 GLN HE22 H 7.399 0.002 2 649 414 60 GLN HG2 H 2.291 0.007 2 650 414 60 GLN HG3 H 2.291 0.007 2 651 414 60 GLN C C 173.108 0.059 1 652 414 60 GLN CA C 52.422 0.057 1 653 414 60 GLN CB C 27.049 0.100 1 654 414 60 GLN CG C 30.948 0.050 1 655 414 60 GLN N N 122.690 0.075 1 656 414 60 GLN NE2 N 112.703 0.037 1 657 415 61 GLY H H 8.301 0.002 1 658 415 61 GLY HA2 H 3.700 0.003 2 659 415 61 GLY HA3 H 3.920 0.004 2 660 415 61 GLY C C 170.249 0.013 1 661 415 61 GLY CA C 42.210 0.056 1 662 415 61 GLY N N 110.794 0.037 1 663 416 62 CYS H H 8.549 0.002 1 664 416 62 CYS HA H 4.227 0.003 1 665 416 62 CYS HB2 H 2.943 0.004 2 666 416 62 CYS HB3 H 3.283 0.003 2 667 416 62 CYS C C 172.914 0.001 1 668 416 62 CYS CA C 54.008 0.062 1 669 416 62 CYS CB C 29.716 0.034 1 670 416 62 CYS N N 123.683 0.037 1 671 417 63 PRO HA H 2.611 0.008 1 672 417 63 PRO HB2 H 0.470 0.012 2 673 417 63 PRO HB3 H 0.620 0.008 2 674 417 63 PRO HD2 H 3.270 0.003 2 675 417 63 PRO HD3 H 3.503 0.005 2 676 417 63 PRO HG2 H 0.887 0.004 2 677 417 63 PRO HG3 H 1.286 0.004 2 678 417 63 PRO C C 174.143 0.001 1 679 417 63 PRO CA C 61.689 0.059 1 680 417 63 PRO CB C 28.534 0.071 1 681 417 63 PRO CD C 47.563 0.059 1 682 417 63 PRO CG C 23.761 0.093 1 683 418 64 PHE H H 8.968 0.004 1 684 418 64 PHE HA H 4.250 0.003 1 685 418 64 PHE HB2 H 2.112 0.004 2 686 418 64 PHE HB3 H 2.380 0.006 2 687 418 64 PHE HD1 H 6.743 0.004 3 688 418 64 PHE HD2 H 6.743 0.004 3 689 418 64 PHE HE1 H 7.255 0.004 3 690 418 64 PHE HE2 H 7.255 0.004 3 691 418 64 PHE HZ H 7.312 0.003 1 692 418 64 PHE C C 174.243 0.011 1 693 418 64 PHE CA C 56.720 0.074 1 694 418 64 PHE CB C 36.458 0.054 1 695 418 64 PHE CD1 C 128.200 0.001 3 696 418 64 PHE CE1 C 128.600 0.001 3 697 418 64 PHE CZ C 127.400 0.001 1 698 418 64 PHE N N 117.008 0.034 1 699 419 65 CYS H H 7.968 0.004 1 700 419 65 CYS HA H 4.906 0.005 1 701 419 65 CYS HB2 H 2.705 0.008 2 702 419 65 CYS HB3 H 3.387 0.009 2 703 419 65 CYS C C 173.198 0.003 1 704 419 65 CYS CA C 55.870 0.073 1 705 419 65 CYS CB C 30.559 0.065 1 706 419 65 CYS N N 117.505 0.031 1 707 420 66 ARG H H 8.761 0.003 1 708 420 66 ARG HA H 4.365 0.010 1 709 420 66 ARG HB2 H 2.084 0.008 2 710 420 66 ARG HB3 H 2.151 0.006 2 711 420 66 ARG HD2 H 3.254 0.005 2 712 420 66 ARG HD3 H 3.297 0.006 2 713 420 66 ARG HG2 H 1.556 0.005 2 714 420 66 ARG HG3 H 1.658 0.004 2 715 420 66 ARG C C 172.921 0.013 1 716 420 66 ARG CA C 54.763 0.073 1 717 420 66 ARG CB C 24.286 0.059 1 718 420 66 ARG CD C 40.082 0.055 1 719 420 66 ARG CG C 24.893 0.105 1 720 420 66 ARG N N 118.763 0.044 1 721 421 67 CYS H H 8.223 0.004 1 722 421 67 CYS HA H 4.419 0.004 1 723 421 67 CYS HB2 H 2.956 0.005 2 724 421 67 CYS HB3 H 3.129 0.003 2 725 421 67 CYS C C 171.160 0.009 1 726 421 67 CYS CA C 57.119 0.061 1 727 421 67 CYS CB C 25.911 0.060 1 728 421 67 CYS N N 120.627 0.049 1 729 422 68 GLU H H 8.416 0.005 1 730 422 68 GLU HA H 4.025 0.003 1 731 422 68 GLU HB2 H 1.895 0.007 2 732 422 68 GLU HB3 H 1.953 0.006 2 733 422 68 GLU HG2 H 2.062 0.005 2 734 422 68 GLU HG3 H 2.284 0.008 2 735 422 68 GLU C C 173.764 0.004 1 736 422 68 GLU CA C 54.752 0.081 1 737 422 68 GLU CB C 27.302 0.072 1 738 422 68 GLU CG C 33.538 0.080 1 739 422 68 GLU N N 122.370 0.025 1 740 423 69 ILE H H 8.648 0.005 1 741 423 69 ILE HA H 4.012 0.005 1 742 423 69 ILE HB H 1.800 0.006 1 743 423 69 ILE HD1 H 0.796 0.003 1 744 423 69 ILE HG12 H 1.679 0.001 2 745 423 69 ILE HG13 H 1.683 0.001 2 746 423 69 ILE HG2 H 0.887 0.003 1 747 423 69 ILE C C 174.257 0.006 1 748 423 69 ILE CA C 59.740 0.083 1 749 423 69 ILE CB C 35.846 0.078 1 750 423 69 ILE CD1 C 10.981 0.071 1 751 423 69 ILE CG1 C 24.700 0.061 1 752 423 69 ILE CG2 C 14.344 0.071 1 753 423 69 ILE N N 125.988 0.037 1 754 424 70 LYS H H 9.185 0.005 1 755 424 70 LYS HA H 4.434 0.003 1 756 424 70 LYS HB2 H 1.560 0.004 2 757 424 70 LYS HB3 H 1.796 0.006 2 758 424 70 LYS HD2 H 1.585 0.004 2 759 424 70 LYS HD3 H 1.585 0.004 2 760 424 70 LYS HE2 H 2.876 0.003 2 761 424 70 LYS HE3 H 2.876 0.003 2 762 424 70 LYS HG2 H 1.332 0.003 2 763 424 70 LYS HG3 H 1.332 0.003 2 764 424 70 LYS C C 173.880 0.006 1 765 424 70 LYS CA C 53.378 0.060 1 766 424 70 LYS CB C 30.397 0.082 1 767 424 70 LYS CD C 25.845 0.086 1 768 424 70 LYS CE C 39.321 0.029 1 769 424 70 LYS CG C 22.217 0.071 1 770 424 70 LYS N N 128.977 0.032 1 771 425 71 GLY H H 7.810 0.003 1 772 425 71 GLY HA2 H 4.094 0.002 2 773 425 71 GLY HA3 H 4.159 0.003 2 774 425 71 GLY C C 168.179 0.058 1 775 425 71 GLY CA C 42.326 0.053 1 776 425 71 GLY N N 107.696 0.036 1 777 426 72 THR H H 8.048 0.005 1 778 426 72 THR HA H 5.258 0.006 1 779 426 72 THR HB H 3.950 0.004 1 780 426 72 THR HG2 H 1.053 0.004 1 781 426 72 THR C C 170.979 0.011 1 782 426 72 THR CA C 56.755 0.057 1 783 426 72 THR CB C 69.226 0.090 1 784 426 72 THR CG2 C 19.319 0.062 1 785 426 72 THR N N 109.122 0.050 1 786 427 73 GLU H H 8.912 0.004 1 787 427 73 GLU HA H 4.954 0.002 1 788 427 73 GLU HB2 H 1.749 0.004 2 789 427 73 GLU HB3 H 1.971 0.003 2 790 427 73 GLU HG2 H 2.162 0.002 2 791 427 73 GLU HG3 H 2.162 0.002 2 792 427 73 GLU C C 170.353 0.001 1 793 427 73 GLU CA C 50.182 0.054 1 794 427 73 GLU CB C 30.559 0.038 1 795 427 73 GLU CG C 32.713 0.042 1 796 427 73 GLU N N 121.703 0.037 1 797 428 74 PRO HA H 4.782 0.003 1 798 428 74 PRO HB2 H 1.814 0.004 2 799 428 74 PRO HB3 H 2.356 0.003 2 800 428 74 PRO HD2 H 3.700 0.009 2 801 428 74 PRO HD3 H 3.789 0.006 2 802 428 74 PRO HG2 H 1.953 0.004 2 803 428 74 PRO HG3 H 2.042 0.004 2 804 428 74 PRO C C 174.027 0.001 1 805 428 74 PRO CA C 59.771 0.060 1 806 428 74 PRO CB C 29.633 0.124 1 807 428 74 PRO CD C 48.113 0.073 1 808 428 74 PRO CG C 24.646 0.065 1 809 429 75 ILE H H 7.682 0.003 1 810 429 75 ILE HA H 4.282 0.007 1 811 429 75 ILE HB H 1.558 0.002 1 812 429 75 ILE HD1 H 0.630 0.003 1 813 429 75 ILE HG12 H 0.854 0.003 2 814 429 75 ILE HG13 H 1.170 0.004 2 815 429 75 ILE HG2 H 0.708 0.002 1 816 429 75 ILE C C 172.510 0.008 1 817 429 75 ILE CA C 57.456 0.044 1 818 429 75 ILE CB C 37.903 0.145 1 819 429 75 ILE CD1 C 11.582 0.047 1 820 429 75 ILE CG1 C 24.387 0.046 1 821 429 75 ILE CG2 C 15.442 0.059 1 822 429 75 ILE N N 119.651 0.043 1 823 430 76 VAL H H 8.122 0.004 1 824 430 76 VAL HA H 4.197 0.007 1 825 430 76 VAL HB H 1.788 0.002 1 826 430 76 VAL C C 172.971 0.012 1 827 430 76 VAL CA C 58.821 0.079 1 828 430 76 VAL CB C 30.807 0.093 1 829 430 76 VAL CG1 C 17.814 0.013 2 830 430 76 VAL CG2 C 18.448 0.141 2 831 430 76 VAL N N 124.178 0.065 1 832 431 77 VAL H H 8.448 0.011 1 833 431 77 VAL HA H 4.087 0.020 1 834 431 77 VAL HB H 1.970 0.009 1 835 431 77 VAL HG1 H 0.826 0.009 2 836 431 77 VAL HG2 H 0.826 0.009 2 837 431 77 VAL C C 172.493 0.036 1 838 431 77 VAL CA C 59.185 0.088 1 839 431 77 VAL CB C 30.084 0.082 1 840 431 77 VAL CG1 C 18.325 0.148 2 841 431 77 VAL CG2 C 18.893 0.091 2 842 431 77 VAL N N 125.770 0.042 1 843 432 78 ASP H H 8.493 0.015 1 844 432 78 ASP HA H 4.852 0.004 1 845 432 78 ASP HB2 H 2.471 0.003 2 846 432 78 ASP HB3 H 2.709 0.006 2 847 432 78 ASP C C 172.048 0.001 1 848 432 78 ASP CA C 49.233 0.057 1 849 432 78 ASP CB C 38.858 0.031 1 850 432 78 ASP N N 126.705 0.066 1 851 433 79 PRO HA H 4.237 0.004 1 852 433 79 PRO HB2 H 1.587 0.005 2 853 433 79 PRO HB3 H 2.064 0.009 2 854 433 79 PRO HD2 H 3.694 0.007 2 855 433 79 PRO HD3 H 3.786 0.005 2 856 433 79 PRO HG2 H 1.698 0.006 2 857 433 79 PRO HG3 H 1.854 0.014 2 858 433 79 PRO C C 173.812 0.008 1 859 433 79 PRO CA C 60.627 0.061 1 860 433 79 PRO CB C 29.329 0.067 1 861 433 79 PRO CD C 48.059 0.061 1 862 433 79 PRO CG C 24.243 0.047 1 863 434 80 PHE H H 8.191 0.004 1 864 434 80 PHE HA H 4.463 0.008 1 865 434 80 PHE HB2 H 2.952 0.007 2 866 434 80 PHE HB3 H 3.026 0.010 2 867 434 80 PHE HD1 H 7.132 0.004 3 868 434 80 PHE HD2 H 7.132 0.004 3 869 434 80 PHE HE1 H 7.230 0.002 3 870 434 80 PHE HE2 H 7.230 0.002 3 871 434 80 PHE C C 172.283 0.017 1 872 434 80 PHE CA C 54.971 0.085 1 873 434 80 PHE CB C 36.490 0.060 1 874 434 80 PHE CD1 C 129.000 0.001 3 875 434 80 PHE CE1 C 129.000 0.001 3 876 434 80 PHE N N 119.263 0.068 1 877 435 81 ASP H H 7.823 0.003 1 878 435 81 ASP HA H 4.759 0.003 1 879 435 81 ASP HB2 H 2.393 0.006 2 880 435 81 ASP HB3 H 2.647 0.003 2 881 435 81 ASP C C 171.057 0.001 1 882 435 81 ASP CA C 49.174 0.020 1 883 435 81 ASP CB C 38.725 0.028 1 884 435 81 ASP N N 123.530 0.079 1 885 436 82 PRO HA H 4.296 0.003 1 886 436 82 PRO HB2 H 1.947 0.005 2 887 436 82 PRO HB3 H 2.070 0.004 2 888 436 82 PRO HD2 H 3.539 0.003 2 889 436 82 PRO HD3 H 3.650 0.007 2 890 436 82 PRO HG2 H 1.895 0.003 2 891 436 82 PRO HG3 H 1.895 0.003 2 892 436 82 PRO C C 173.494 0.001 1 893 436 82 PRO CA C 60.625 0.057 1 894 436 82 PRO CB C 29.237 0.057 1 895 436 82 PRO CD C 47.778 0.070 1 896 436 82 PRO CG C 24.223 0.062 1 897 437 83 ARG H H 7.834 0.002 1 898 437 83 ARG HA H 4.003 0.004 1 899 437 83 ARG HB2 H 1.670 0.005 2 900 437 83 ARG HB3 H 1.771 0.007 2 901 437 83 ARG HD2 H 3.116 0.005 2 902 437 83 ARG HD3 H 3.116 0.005 2 903 437 83 ARG HG2 H 1.539 0.005 2 904 437 83 ARG C C 173.493 0.001 1 905 437 83 ARG CA C 55.051 0.054 1 906 437 83 ARG CB C 28.716 0.063 1 907 437 83 ARG CD C 40.796 0.029 1 908 437 83 ARG CG C 24.496 0.026 1 909 437 83 ARG N N 126.671 0.015 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HNCACO' '3D CNH-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name E2-c-Cbl _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 1 428 74 PRO HA H 4.372 0.004 1 2 428 74 PRO C C 173.839 0.008 1 3 428 74 PRO CA C 60.241 0.096 1 4 428 74 PRO CB C 29.299 0.035 1 5 428 74 PRO CD C 47.835 0.001 1 6 428 74 PRO CG C 24.593 0.046 1 7 429 75 ILE H H 8.144 0.005 1 8 429 75 ILE HA H 4.086 0.003 1 9 429 75 ILE HB H 1.749 0.004 1 10 429 75 ILE HD1 H 0.800 0.004 1 11 429 75 ILE HG12 H 1.127 0.004 2 12 429 75 ILE HG13 H 1.444 0.002 2 13 429 75 ILE C C 173.426 0.007 1 14 429 75 ILE CA C 58.339 0.060 1 15 429 75 ILE CB C 35.988 0.077 1 16 429 75 ILE CD1 C 10.210 0.038 1 17 429 75 ILE CG1 C 24.677 0.073 1 18 429 75 ILE CG2 C 14.765 0.057 1 19 429 75 ILE N N 121.551 0.033 1 20 430 76 VAL H H 8.221 0.004 1 21 430 76 VAL HA H 4.083 0.001 1 22 430 76 VAL C C 173.067 0.031 1 23 430 76 VAL CA C 59.445 0.016 1 24 430 76 VAL CB C 30.407 0.001 1 25 430 76 VAL N N 125.930 0.042 1 26 431 77 VAL H H 8.412 0.001 1 27 431 77 VAL HA H 4.038 0.003 1 28 431 77 VAL HB H 1.948 0.002 1 29 431 77 VAL HG1 H 0.834 0.001 1 30 431 77 VAL HG2 H 0.834 0.001 1 31 431 77 VAL C C 172.617 0.026 1 32 431 77 VAL CA C 59.137 0.034 1 33 431 77 VAL CB C 30.292 0.001 1 34 431 77 VAL CG1 C 17.715 0.001 2 35 431 77 VAL CG2 C 18.290 0.001 2 36 431 77 VAL N N 125.655 0.001 1 37 432 78 ASP H H 8.419 0.004 1 38 432 78 ASP HA H 4.829 0.001 1 39 432 78 ASP C C 172.252 0.001 1 40 432 78 ASP CA C 49.320 0.045 1 41 432 78 ASP CB C 39.066 0.001 1 42 432 78 ASP N N 126.226 0.043 1 43 433 79 PRO C C 173.867 0.001 1 44 434 80 PHE H H 8.191 0.002 1 45 434 80 PHE HA H 4.528 0.004 1 46 434 80 PHE HB2 H 2.984 0.006 2 47 434 80 PHE HB3 H 3.122 0.006 2 48 434 80 PHE C C 172.457 0.005 1 49 434 80 PHE CA C 54.828 0.068 1 50 434 80 PHE CB C 36.457 0.013 1 51 434 80 PHE N N 118.871 0.072 1 52 435 81 ASP H H 7.881 0.004 1 53 435 81 ASP HA H 4.801 0.001 1 54 435 81 ASP C C 171.144 0.001 1 55 435 81 ASP CA C 49.406 0.028 1 56 435 81 ASP CB C 38.618 0.001 1 57 435 81 ASP N N 123.108 0.028 1 58 436 82 PRO HA H 4.364 0.004 1 59 436 82 PRO HB2 H 1.978 0.001 2 60 436 82 PRO HB3 H 2.143 0.009 2 61 436 82 PRO C C 173.563 0.001 1 62 436 82 PRO CA C 60.729 0.066 1 63 436 82 PRO CB C 29.160 0.063 1 64 436 82 PRO CD C 47.712 0.001 1 65 436 82 PRO CG C 24.179 0.001 1 66 437 83 ARG H H 7.886 0.002 1 67 437 83 ARG HA H 4.031 0.013 1 68 437 83 ARG C C 173.578 0.001 1 69 437 83 ARG CA C 55.015 0.015 1 70 437 83 ARG CB C 28.864 0.001 1 71 437 83 ARG N N 126.759 0.017 1 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HNCACO' '3D CNH-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name E2-c-Cbl _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 1 430 76 VAL HA H 4.086 0.008 1 2 430 76 VAL CA C 59.372 0.051 1 3 430 76 VAL CG1 C 18.009 0.001 2 4 431 77 VAL H H 8.204 0.003 1 5 431 77 VAL HA H 4.049 0.001 1 6 431 77 VAL C C 172.636 0.001 1 7 431 77 VAL CA C 59.315 0.001 1 8 431 77 VAL CB C 30.219 0.001 1 9 431 77 VAL N N 125.320 0.044 1 10 433 79 PRO CA C 63.865 0.001 1 11 434 80 PHE H H 8.182 0.003 1 12 434 80 PHE HA H 4.499 0.012 1 13 434 80 PHE C C 171.680 0.010 1 14 434 80 PHE CA C 54.657 0.071 1 15 434 80 PHE CB C 36.272 0.031 1 16 434 80 PHE N N 118.611 0.039 1 17 435 81 ASP H H 7.490 0.002 1 18 435 81 ASP HA H 4.698 0.001 1 19 435 81 ASP C C 171.662 0.001 1 20 435 81 ASP CA C 49.570 0.055 1 21 435 81 ASP CB C 40.104 0.001 1 22 435 81 ASP N N 120.304 0.027 1 23 436 82 PRO HA H 4.758 0.001 1 24 436 82 PRO C C 172.944 0.001 1 25 436 82 PRO CA C 60.134 0.047 1 26 436 82 PRO CB C 31.425 0.035 1 27 436 82 PRO CG C 21.942 0.001 1 28 437 83 ARG H H 8.155 0.004 1 29 437 83 ARG HA H 4.123 0.006 1 30 437 83 ARG CA C 54.955 0.022 1 31 437 83 ARG CB C 28.755 0.001 1 32 437 83 ARG N N 126.527 0.032 1 stop_ save_