data_18963 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shift assignments of Dido PHD domain ; _BMRB_accession_number 18963 _BMRB_flat_file_name bmr18963.str _Entry_type original _Submission_date 2013-01-19 _Accession_date 2013-01-19 _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 Santiveri Clara M. . 2 Perez-Canadillas Jose M. . 3 Jimenez 'M Angeles' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 708 "13C chemical shifts" 268 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-05 original author . stop_ _Original_release_date 2013-08-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure note: PHD domain from death inducer obliterator protein and its interaction with H3K4me3' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23579637 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Santiveri Clara M. . 2 Garcia-Mayoral Maria F. . 3 Perez-Canadillas Jose M. . 4 Jimenez 'M Angeles' . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 56 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 190 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Dido_PHD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Dido_PHD $Dido_PHD 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Dido_PHD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Dido_PHD _Molecular_mass 7048.059 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; GSMDPNALYCICRQPHNNRF MICCDRCEEWFHGDCVGISE ARGRLLERNGEDYICPNCTI L ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 MET 4 4 ASP 5 5 PRO 6 6 ASN 7 7 ALA 8 8 LEU 9 9 TYR 10 10 CYS 11 11 ILE 12 12 CYS 13 13 ARG 14 14 GLN 15 15 PRO 16 16 HIS 17 17 ASN 18 18 ASN 19 19 ARG 20 20 PHE 21 21 MET 22 22 ILE 23 23 CYS 24 24 CYS 25 25 ASP 26 26 ARG 27 27 CYS 28 28 GLU 29 29 GLU 30 30 TRP 31 31 PHE 32 32 HIS 33 33 GLY 34 34 ASP 35 35 CYS 36 36 VAL 37 37 GLY 38 38 ILE 39 39 SER 40 40 GLU 41 41 ALA 42 42 ARG 43 43 GLY 44 44 ARG 45 45 LEU 46 46 LEU 47 47 GLU 48 48 ARG 49 49 ASN 50 50 GLY 51 51 GLU 52 52 ASP 53 53 TYR 54 54 ILE 55 55 CYS 56 56 PRO 57 57 ASN 58 58 CYS 59 59 THR 60 60 ILE 61 61 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 BMRB 19074 Dido_PHD 100.00 61 100.00 100.00 1.62e-36 PDB 1WEM "Solution Structure Of Phd Domain In Death Inducer- Obliterator 1(Dio-1)" 95.08 76 100.00 100.00 1.02e-34 PDB 2M3H "Structure Of Dido Phd Domain" 100.00 61 100.00 100.00 1.62e-36 PDB 4L7X "Crystal Structure Of The Dido Phd Finger In Complex With H3k4me3" 93.44 63 100.00 100.00 1.90e-33 DBJ BAA20791 "KIAA0333 [Homo sapiens]" 95.08 1223 100.00 100.00 2.58e-38 DBJ BAA92094 "unnamed protein product [Homo sapiens]" 95.08 562 100.00 100.00 3.04e-36 DBJ BAC31270 "unnamed protein product [Mus musculus]" 95.08 614 100.00 100.00 9.66e-37 DBJ BAC97927 "mKIAA0333 protein [Mus musculus]" 95.08 1201 100.00 100.00 2.52e-38 DBJ BAE88140 "unnamed protein product [Macaca fascicularis]" 67.21 281 100.00 100.00 1.15e-20 EMBL CAB48401 "death inducer-obliterator-1 [Mus musculus]" 95.08 614 100.00 100.00 1.05e-36 EMBL CAG31367 "hypothetical protein RCJMB04_5h22 [Gallus gallus]" 95.08 660 100.00 100.00 1.98e-38 EMBL CAH89967 "hypothetical protein [Pongo abelii]" 95.08 562 100.00 100.00 5.36e-36 GB AAH00770 "DIDO1 protein [Homo sapiens]" 95.08 544 100.00 100.00 1.31e-36 GB AAH04237 "Death inducer-obliterator 1 [Homo sapiens]" 95.08 562 100.00 100.00 3.04e-36 GB AAH14489 "Death inducer-obliterator 1 [Homo sapiens]" 95.08 562 100.00 100.00 3.04e-36 GB AAH29110 "Dido1 protein, partial [Mus musculus]" 95.08 436 100.00 100.00 5.46e-36 GB AAH96662 "Dido1 protein [Mus musculus]" 95.08 614 100.00 100.00 8.47e-37 REF NP_001124926 "death-inducer obliterator 1 [Pongo abelii]" 95.08 562 100.00 100.00 5.36e-36 REF NP_001180298 "death-inducer obliterator 1 isoform c [Homo sapiens]" 95.08 2240 100.00 100.00 4.02e-38 REF NP_001180299 "death-inducer obliterator 1 isoform b [Homo sapiens]" 95.08 1189 100.00 100.00 3.05e-38 REF NP_001278361 "death-inducer obliterator 1 Dido1 [Mus musculus]" 95.08 614 100.00 100.00 8.47e-37 REF NP_001278362 "death-inducer obliterator 1 Dido2 [Mus musculus]" 95.08 1183 100.00 100.00 2.47e-38 SP Q8C9B9 "RecName: Full=Death-inducer obliterator 1; Short=DIO-1; AltName: Full=Death-associated transcription factor 1; Short=DATF-1" 95.08 2256 100.00 100.00 4.03e-38 SP Q9BTC0 "RecName: Full=Death-inducer obliterator 1; Short=DIO-1; Short=hDido1; AltName: Full=Death-associated transcription factor 1; Sh" 95.08 2240 100.00 100.00 4.02e-38 stop_ save_ ############# # Ligands # ############# 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 no _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 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Dido_PHD Humans 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 $Dido_PHD 'recombinant technology' . Escherichia coli . pET28 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 $Dido_PHD 0.6 mM 'natural abundance' 'potassium phosphate' 10 uM 'natural abundance' TCEP 100 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DSS 10 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dido_PHD 0.4 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 10 uM 'natural abundance' TCEP 100 uM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DSS 10 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'dihedral angles' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 10 . mM pH 6.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Dido_PHD _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 2 2 SER HA H 4.48 0.013 1 2 2 2 SER HB2 H 3.77 0.013 2 3 2 2 SER HB3 H 3.81 0.013 2 4 3 3 MET H H 8.34 0.013 1 5 3 3 MET HA H 4.10 0.013 1 6 3 3 MET HB2 H 1.17 0.013 2 7 3 3 MET HB3 H 1.40 0.013 2 8 3 3 MET HG2 H 1.45 0.013 2 9 3 3 MET HG3 H 1.49 0.013 2 10 3 3 MET HE H 0.69 0.013 1 11 4 4 ASP H H 8.43 0.013 1 12 4 4 ASP HA H 4.96 0.013 1 13 4 4 ASP HB2 H 2.66 0.013 2 14 4 4 ASP HB3 H 2.89 0.013 2 15 5 5 PRO HA H 4.41 0.013 1 16 5 5 PRO HB2 H 2.32 0.013 2 17 5 5 PRO HB3 H 2.03 0.013 2 18 5 5 PRO HG2 H 1.94 0.013 2 19 5 5 PRO HG3 H 2.08 0.013 2 20 5 5 PRO HD2 H 3.93 0.013 2 21 5 5 PRO HD3 H 3.97 0.013 2 22 6 6 ASN H H 8.66 0.013 1 23 6 6 ASN HA H 4.86 0.013 1 24 6 6 ASN HB2 H 2.65 0.013 2 25 6 6 ASN HB3 H 2.81 0.013 2 26 6 6 ASN HD21 H 7.89 0.013 2 27 6 6 ASN HD22 H 6.97 0.013 2 28 7 7 ALA H H 7.14 0.013 1 29 7 7 ALA HA H 4.05 0.013 1 30 7 7 ALA HB H 1.08 0.013 1 31 8 8 LEU H H 7.78 0.013 1 32 8 8 LEU HA H 3.88 0.013 1 33 8 8 LEU HB2 H 0.59 0.013 2 34 8 8 LEU HB3 H 1.55 0.013 2 35 8 8 LEU HG H 1.55 0.013 1 36 8 8 LEU HD1 H 0.62 0.013 2 37 8 8 LEU HD2 H 0.82 0.013 2 38 9 9 TYR H H 7.80 0.013 1 39 9 9 TYR HA H 4.83 0.013 1 40 9 9 TYR HB2 H 2.06 0.013 2 41 9 9 TYR HB3 H 2.98 0.013 2 42 9 9 TYR HD1 H 7.15 0.013 3 43 9 9 TYR HD2 H 7.15 0.013 3 44 9 9 TYR HE1 H 6.94 0.013 3 45 9 9 TYR HE2 H 6.94 0.013 3 46 10 10 CYS H H 7.76 0.013 1 47 10 10 CYS HA H 3.93 0.013 1 48 10 10 CYS HB2 H 2.37 0.013 2 49 10 10 CYS HB3 H 4.76 0.013 2 50 11 11 ILE H H 10.08 0.013 1 51 11 11 ILE HA H 4.44 0.013 1 52 11 11 ILE HB H 2.22 0.013 1 53 11 11 ILE HG12 H 1.57 0.013 2 54 11 11 ILE HG13 H 1.79 0.013 2 55 11 11 ILE HG2 H 1.27 0.013 1 56 11 11 ILE HD1 H 1.05 0.013 1 57 12 12 CYS H H 7.59 0.013 1 58 12 12 CYS HA H 4.64 0.013 1 59 12 12 CYS HB2 H 3.15 0.013 2 60 12 12 CYS HB3 H 3.28 0.013 2 61 13 13 ARG H H 7.69 0.013 1 62 13 13 ARG HA H 3.89 0.013 1 63 13 13 ARG HB2 H 1.70 0.013 2 64 13 13 ARG HB3 H 2.33 0.013 2 65 13 13 ARG HG2 H 1.55 0.013 2 66 13 13 ARG HG3 H 1.72 0.013 2 67 13 13 ARG HD2 H 3.14 0.013 2 68 13 13 ARG HD3 H 3.23 0.013 2 69 13 13 ARG HE H 6.91 0.013 1 70 14 14 GLN H H 8.11 0.013 1 71 14 14 GLN HA H 5.06 0.013 1 72 14 14 GLN HB2 H 2.15 0.013 2 73 14 14 GLN HB3 H 2.26 0.013 2 74 14 14 GLN HG2 H 2.49 0.013 2 75 14 14 GLN HG3 H 2.49 0.013 2 76 14 14 GLN HE21 H 7.34 0.013 2 77 14 14 GLN HE22 H 6.84 0.013 2 78 15 15 PRO HA H 5.25 0.013 1 79 15 15 PRO HB2 H 2.50 0.013 2 80 15 15 PRO HB3 H 1.89 0.013 2 81 15 15 PRO HG2 H 1.85 0.013 2 82 15 15 PRO HG3 H 1.98 0.013 2 83 15 15 PRO HD2 H 3.56 0.013 2 84 15 15 PRO HD3 H 3.69 0.013 2 85 16 16 HIS H H 9.80 0.013 1 86 16 16 HIS HA H 4.47 0.013 1 87 16 16 HIS HB2 H 2.97 0.013 2 88 16 16 HIS HB3 H 3.20 0.013 2 89 17 17 ASN H H 8.45 0.013 1 90 17 17 ASN HA H 4.17 0.013 1 91 17 17 ASN HB2 H 2.42 0.013 2 92 17 17 ASN HB3 H 3.05 0.013 2 93 17 17 ASN HD21 H 7.28 0.013 2 94 17 17 ASN HD22 H 6.92 0.013 2 95 18 18 ASN H H 9.01 0.013 1 96 18 18 ASN HA H 4.21 0.013 1 97 18 18 ASN HB2 H 2.91 0.013 2 98 18 18 ASN HB3 H 3.05 0.013 2 99 18 18 ASN HD21 H 7.57 0.013 2 100 18 18 ASN HD22 H 6.89 0.013 2 101 19 19 ARG H H 7.71 0.013 1 102 19 19 ARG HA H 4.43 0.013 1 103 19 19 ARG HB2 H 2.00 0.013 2 104 19 19 ARG HB3 H 2.28 0.013 2 105 19 19 ARG HG2 H 1.76 0.013 2 106 19 19 ARG HG3 H 1.88 0.013 2 107 19 19 ARG HD2 H 2.95 0.013 2 108 19 19 ARG HD3 H 3.26 0.013 2 109 19 19 ARG HE H 7.29 0.013 1 110 20 20 PHE H H 8.68 0.013 1 111 20 20 PHE HA H 4.51 0.013 1 112 20 20 PHE HB2 H 2.92 0.013 2 113 20 20 PHE HB3 H 3.40 0.013 2 114 20 20 PHE HD1 H 7.25 0.013 3 115 20 20 PHE HD2 H 7.25 0.013 3 116 20 20 PHE HE1 H 7.16 0.013 3 117 20 20 PHE HE2 H 7.16 0.013 3 118 20 20 PHE HZ H 7.05 0.013 1 119 21 21 MET H H 7.88 0.013 1 120 21 21 MET HA H 5.31 0.013 1 121 21 21 MET HB2 H 1.59 0.013 2 122 21 21 MET HB3 H 1.81 0.013 2 123 21 21 MET HG2 H 2.26 0.013 2 124 21 21 MET HG3 H 2.42 0.013 2 125 21 21 MET HE H 0.90 0.013 1 126 22 22 ILE H H 9.18 0.013 1 127 22 22 ILE HA H 4.39 0.013 1 128 22 22 ILE HB H 1.17 0.013 1 129 22 22 ILE HG12 H 0.64 0.013 2 130 22 22 ILE HG13 H 1.25 0.013 2 131 22 22 ILE HG2 H 0.29 0.013 1 132 22 22 ILE HD1 H 0.53 0.013 1 133 23 23 CYS H H 8.00 0.013 1 134 23 23 CYS HA H 4.39 0.013 1 135 23 23 CYS HB2 H -0.01 0.013 2 136 23 23 CYS HB3 H 1.58 0.013 2 137 23 23 CYS HG H 0.10 0.013 1 138 24 24 CYS H H 8.75 0.013 1 139 24 24 CYS HA H 4.55 0.013 1 140 24 24 CYS HB2 H 2.82 0.013 2 141 24 24 CYS HB3 H 3.68 0.013 2 142 25 25 ASP H H 9.39 0.013 1 143 25 25 ASP HB2 H 2.54 0.013 2 144 25 25 ASP HB3 H 2.62 0.013 2 145 26 26 ARG H H 9.39 0.013 1 146 26 26 ARG HA H 4.52 0.013 1 147 26 26 ARG HB2 H 2.08 0.013 2 148 26 26 ARG HB3 H 2.17 0.013 2 149 26 26 ARG HG2 H 1.63 0.013 2 150 26 26 ARG HG3 H 1.63 0.013 2 151 26 26 ARG HD2 H 3.14 0.013 2 152 26 26 ARG HD3 H 3.22 0.013 2 153 26 26 ARG HE H 7.33 0.013 1 154 27 27 CYS H H 8.55 0.013 1 155 27 27 CYS HA H 4.77 0.013 1 156 27 27 CYS HB2 H 2.68 0.013 2 157 27 27 CYS HB3 H 3.23 0.013 2 158 28 28 GLU H H 7.66 0.013 1 159 28 28 GLU HA H 4.18 0.013 1 160 28 28 GLU HB3 H 2.18 0.013 2 161 28 28 GLU HG2 H 1.97 0.013 2 162 28 28 GLU HG3 H 2.07 0.013 2 163 29 29 GLU H H 8.22 0.013 1 164 29 29 GLU HA H 4.63 0.013 1 165 29 29 GLU HB2 H 2.09 0.013 2 166 29 29 GLU HB3 H 2.21 0.013 2 167 30 30 TRP H H 8.25 0.013 1 168 30 30 TRP HA H 4.84 0.013 1 169 30 30 TRP HB2 H 2.38 0.013 2 170 30 30 TRP HB3 H 2.38 0.013 2 171 30 30 TRP HD1 H 7.19 0.013 1 172 30 30 TRP HE1 H 9.84 0.013 1 173 30 30 TRP HE3 H 6.87 0.013 1 174 30 30 TRP HZ2 H 7.40 0.013 1 175 30 30 TRP HZ3 H 6.66 0.013 1 176 30 30 TRP HH2 H 7.07 0.013 1 177 31 31 PHE H H 9.21 0.013 1 178 31 31 PHE HA H 4.58 0.013 1 179 31 31 PHE HB2 H 2.54 0.013 2 180 31 31 PHE HB3 H 3.29 0.013 2 181 31 31 PHE HD1 H 7.52 0.013 3 182 31 31 PHE HD2 H 7.52 0.013 3 183 31 31 PHE HE1 H 7.22 0.013 3 184 31 31 PHE HE2 H 7.22 0.013 3 185 31 31 PHE HZ H 7.65 0.013 1 186 32 32 HIS H H 9.74 0.013 1 187 32 32 HIS HA H 5.17 0.013 1 188 32 32 HIS HB2 H 3.44 0.013 2 189 32 32 HIS HB3 H 4.20 0.013 2 190 32 32 HIS HD2 H 7.16 0.013 1 191 32 32 HIS HE1 H 7.54 0.013 1 192 32 32 HIS HE2 H 11.52 0.013 1 193 33 33 GLY H H 9.09 0.013 1 194 33 33 GLY HA2 H 3.65 0.013 2 195 33 33 GLY HA3 H 4.24 0.013 2 196 34 34 ASP H H 9.11 0.013 1 197 34 34 ASP HA H 4.40 0.013 1 198 34 34 ASP HB2 H 2.70 0.013 2 199 34 34 ASP HB3 H 2.84 0.013 2 200 35 35 CYS H H 7.66 0.013 1 201 35 35 CYS HA H 4.23 0.013 1 202 35 35 CYS HB2 H 3.15 0.013 2 203 35 35 CYS HB3 H 3.46 0.013 2 204 36 36 VAL H H 7.36 0.013 1 205 36 36 VAL HA H 4.63 0.013 1 206 36 36 VAL HB H 2.55 0.013 1 207 36 36 VAL HG1 H 0.82 0.013 2 208 36 36 VAL HG2 H 0.87 0.013 2 209 37 37 GLY H H 7.67 0.013 1 210 37 37 GLY HA2 H 3.90 0.013 2 211 37 37 GLY HA3 H 4.09 0.013 2 212 38 38 ILE H H 8.51 0.013 1 213 38 38 ILE HA H 4.34 0.013 1 214 38 38 ILE HB H 1.69 0.013 1 215 38 38 ILE HG12 H 1.21 0.013 2 216 38 38 ILE HG13 H 1.21 0.013 2 217 38 38 ILE HG2 H 0.82 0.013 1 218 38 38 ILE HD1 H 0.74 0.013 1 219 39 39 SER H H 8.01 0.013 1 220 39 39 SER HA H 4.45 0.013 1 221 39 39 SER HB2 H 3.95 0.013 2 222 39 39 SER HB3 H 4.21 0.013 2 223 40 40 GLU H H 8.66 0.013 1 224 40 40 GLU HA H 2.62 0.013 1 225 40 40 GLU HB2 H 1.55 0.013 2 226 40 40 GLU HB3 H 1.67 0.013 2 227 40 40 GLU HG2 H 1.84 0.013 2 228 40 40 GLU HG3 H 1.84 0.013 2 229 41 41 ALA H H 8.12 0.013 1 230 41 41 ALA HA H 3.94 0.013 1 231 41 41 ALA HB H 1.31 0.013 1 232 42 42 ARG H H 7.84 0.013 1 233 42 42 ARG HA H 4.10 0.013 1 234 42 42 ARG HB2 H 1.86 0.013 2 235 42 42 ARG HB3 H 2.01 0.013 2 236 42 42 ARG HG2 H 1.66 0.013 2 237 42 42 ARG HG3 H 1.73 0.013 2 238 42 42 ARG HD2 H 3.24 0.013 2 239 42 42 ARG HD3 H 3.32 0.013 2 240 43 43 GLY H H 8.84 0.013 1 241 43 43 GLY HA2 H 3.72 0.013 2 242 43 43 GLY HA3 H 3.77 0.013 2 243 44 44 ARG H H 8.24 0.013 1 244 44 44 ARG HA H 4.24 0.013 1 245 44 44 ARG HB2 H 1.85 0.013 2 246 44 44 ARG HB3 H 1.89 0.013 2 247 44 44 ARG HG2 H 1.75 0.013 2 248 44 44 ARG HG3 H 1.75 0.013 2 249 44 44 ARG HD2 H 3.16 0.013 2 250 44 44 ARG HD3 H 3.24 0.013 2 251 44 44 ARG HE H 7.45 0.013 1 252 45 45 LEU H H 7.61 0.013 1 253 45 45 LEU HA H 4.14 0.013 1 254 45 45 LEU HB2 H 1.78 0.013 2 255 45 45 LEU HG H 1.69 0.013 1 256 45 45 LEU HD1 H 0.87 0.013 2 257 45 45 LEU HD2 H 0.92 0.013 2 258 46 46 LEU H H 8.15 0.013 1 259 46 46 LEU HA H 4.11 0.013 1 260 46 46 LEU HB2 H 1.67 0.013 2 261 46 46 LEU HB3 H 1.95 0.013 2 262 46 46 LEU HG H 1.87 0.013 1 263 46 46 LEU HD1 H 0.86 0.013 2 264 46 46 LEU HD2 H 0.92 0.013 2 265 47 47 GLU H H 7.80 0.013 1 266 47 47 GLU HA H 4.19 0.013 1 267 47 47 GLU HB2 H 2.17 0.013 2 268 47 47 GLU HB3 H 2.24 0.013 2 269 47 47 GLU HG2 H 2.27 0.013 2 270 47 47 GLU HG3 H 2.47 0.013 2 271 48 48 ARG H H 8.25 0.013 1 272 48 48 ARG HA H 4.16 0.013 1 273 48 48 ARG HB2 H 1.97 0.013 2 274 48 48 ARG HB3 H 1.97 0.013 2 275 48 48 ARG HG3 H 1.78 0.013 2 276 48 48 ARG HD2 H 3.22 0.013 2 277 48 48 ARG HD3 H 3.22 0.013 2 278 48 48 ARG HE H 7.25 0.013 1 279 49 49 ASN H H 8.28 0.013 1 280 49 49 ASN HA H 4.74 0.013 1 281 49 49 ASN HB2 H 2.90 0.013 2 282 49 49 ASN HB3 H 2.98 0.013 2 283 49 49 ASN HD21 H 7.62 0.013 2 284 49 49 ASN HD22 H 6.75 0.013 2 285 50 50 GLY H H 8.06 0.013 1 286 50 50 GLY HA2 H 3.96 0.013 2 287 50 50 GLY HA3 H 3.96 0.013 2 288 51 51 GLU H H 8.18 0.013 1 289 51 51 GLU HA H 4.36 0.013 1 290 51 51 GLU HB2 H 1.94 0.013 2 291 51 51 GLU HB3 H 2.05 0.013 2 292 51 51 GLU HG2 H 2.21 0.013 2 293 51 51 GLU HG3 H 2.21 0.013 2 294 52 52 ASP H H 8.35 0.013 1 295 52 52 ASP HA H 4.65 0.013 1 296 52 52 ASP HB2 H 2.48 0.013 2 297 52 52 ASP HB3 H 2.48 0.013 2 298 53 53 TYR H H 9.20 0.013 1 299 53 53 TYR HA H 4.49 0.013 1 300 53 53 TYR HB2 H 2.85 0.013 2 301 53 53 TYR HB3 H 2.85 0.013 2 302 53 53 TYR HD1 H 6.75 0.013 3 303 53 53 TYR HD2 H 6.75 0.013 3 304 53 53 TYR HE1 H 6.29 0.013 3 305 53 53 TYR HE2 H 6.29 0.013 3 306 54 54 ILE H H 6.79 0.013 1 307 54 54 ILE HA H 4.65 0.013 1 308 54 54 ILE HB H 1.47 0.013 1 309 54 54 ILE HG12 H 0.97 0.013 2 310 54 54 ILE HG13 H 1.28 0.013 2 311 54 54 ILE HG2 H 0.66 0.013 1 312 54 54 ILE HD1 H 0.72 0.013 1 313 55 55 CYS H H 9.07 0.013 1 314 55 55 CYS HA H 4.32 0.013 1 315 55 55 CYS HB2 H 2.12 0.013 2 316 55 55 CYS HB3 H 2.37 0.013 2 317 56 56 PRO HA H 4.20 0.013 1 318 56 56 PRO HB2 H 2.43 0.013 2 319 56 56 PRO HB3 H 1.75 0.013 2 320 56 56 PRO HG2 H 1.94 0.013 2 321 56 56 PRO HG3 H 1.94 0.013 2 322 56 56 PRO HD2 H 3.01 0.013 2 323 56 56 PRO HD3 H 3.77 0.013 2 324 57 57 ASN H H 8.37 0.013 1 325 57 57 ASN HA H 4.57 0.013 1 326 57 57 ASN HB2 H 2.85 0.013 2 327 57 57 ASN HB3 H 3.06 0.013 2 328 57 57 ASN HD21 H 8.11 0.013 2 329 57 57 ASN HD22 H 6.99 0.013 2 330 58 58 CYS H H 8.30 0.013 1 331 58 58 CYS HA H 4.03 0.013 1 332 58 58 CYS HB2 H 2.77 0.013 2 333 58 58 CYS HB3 H 2.82 0.013 2 334 59 59 THR H H 7.60 0.013 1 335 59 59 THR HA H 3.86 0.013 1 336 59 59 THR HB H 4.04 0.013 1 337 59 59 THR HG2 H 1.10 0.013 1 338 60 60 ILE H H 7.48 0.013 1 339 60 60 ILE HA H 4.21 0.013 1 340 60 60 ILE HB H 1.95 0.013 1 341 60 60 ILE HG12 H 1.17 0.013 2 342 60 60 ILE HG13 H 1.40 0.013 2 343 60 60 ILE HG2 H 0.90 0.013 1 344 60 60 ILE HD1 H 0.86 0.013 1 345 61 61 LEU H H 7.57 0.013 1 346 61 61 LEU HA H 4.14 0.013 1 347 61 61 LEU HB2 H 1.53 0.013 2 348 61 61 LEU HB3 H 1.61 0.013 2 349 61 61 LEU HD1 H 0.84 0.013 2 350 61 61 LEU HD2 H 0.89 0.013 2 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 aliphatic' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Dido_PHD _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 1 GLY HA2 H 3.90 0.013 2 2 1 1 GLY HA3 H 3.90 0.013 2 3 1 1 GLY CA C 43.5 0.01 1 4 2 2 SER HA H 4.46 0.013 1 5 2 2 SER HB2 H 3.78 0.013 2 6 2 2 SER HB3 H 3.80 0.013 2 7 2 2 SER C C 174.0 0.01 1 8 2 2 SER CA C 58.3 0.01 1 9 2 2 SER CB C 64.1 0.01 1 10 3 3 MET H H 8.32 0.013 1 11 3 3 MET HA H 4.10 0.013 1 12 3 3 MET HB2 H 1.17 0.013 2 13 3 3 MET HB3 H 1.40 0.013 2 14 3 3 MET HG2 H 1.45 0.013 2 15 3 3 MET HG3 H 1.48 0.013 2 16 3 3 MET HE H 0.68 0.013 1 17 3 3 MET C C 175.4 0.01 1 18 3 3 MET CA C 55.2 0.01 1 19 3 3 MET CB C 33.0 0.01 1 20 3 3 MET CG C 31.3 0.01 1 21 3 3 MET CE C 15.8 0.01 1 22 3 3 MET N N 122.4 0.02 1 23 4 4 ASP H H 8.41 0.013 1 24 4 4 ASP HA H 4.95 0.013 1 25 4 4 ASP HB2 H 2.66 0.013 2 26 4 4 ASP HB3 H 2.89 0.013 2 27 4 4 ASP CA C 51.3 0.01 1 28 4 4 ASP CB C 42.9 0.01 1 29 4 4 ASP N N 125.9 0.02 1 30 5 5 PRO HA H 4.41 0.013 1 31 5 5 PRO HB2 H 2.33 0.013 2 32 5 5 PRO HB3 H 2.03 0.013 2 33 5 5 PRO HG2 H 1.93 0.013 2 34 5 5 PRO HG3 H 2.08 0.013 2 35 5 5 PRO HD2 H 3.93 0.013 2 36 5 5 PRO HD3 H 3.96 0.013 2 37 5 5 PRO C C 176.3 0.01 1 38 5 5 PRO CA C 64.5 0.01 1 39 5 5 PRO CB C 32.3 0.01 1 40 5 5 PRO CG C 26.7 0.01 1 41 5 5 PRO CD C 51.3 0.01 1 42 6 6 ASN H H 8.65 0.013 1 43 6 6 ASN HA H 4.86 0.013 1 44 6 6 ASN HB2 H 2.65 0.013 2 45 6 6 ASN HB3 H 2.81 0.013 2 46 6 6 ASN HD21 H 7.89 0.013 2 47 6 6 ASN HD22 H 6.97 0.013 2 48 6 6 ASN C C 174.8 0.01 1 49 6 6 ASN CA C 53.0 0.01 1 50 6 6 ASN CB C 40.1 0.01 1 51 6 6 ASN CG C 177.4 0.01 1 52 6 6 ASN N N 115.8 0.02 1 53 6 6 ASN ND2 N 114.5 0.02 1 54 7 7 ALA H H 7.14 0.013 1 55 7 7 ALA HA H 4.05 0.013 1 56 7 7 ALA HB H 1.07 0.013 1 57 7 7 ALA C C 175.1 0.01 1 58 7 7 ALA CA C 51.9 0.01 1 59 7 7 ALA CB C 19.5 0.01 1 60 7 7 ALA N N 123.5 0.02 1 61 8 8 LEU H H 7.77 0.013 1 62 8 8 LEU HA H 3.87 0.013 1 63 8 8 LEU HB2 H 0.60 0.013 2 64 8 8 LEU HB3 H 1.54 0.013 2 65 8 8 LEU HG H 1.55 0.013 1 66 8 8 LEU HD1 H 0.62 0.013 2 67 8 8 LEU HD2 H 0.81 0.013 2 68 8 8 LEU C C 175.4 0.01 1 69 8 8 LEU CA C 53.6 0.01 1 70 8 8 LEU CB C 42.1 0.01 1 71 8 8 LEU CG C 26.3 0.01 1 72 8 8 LEU CD1 C 21.4 0.01 1 73 8 8 LEU CD2 C 24.8 0.01 1 74 8 8 LEU N N 116.8 0.02 1 75 9 9 TYR H H 7.80 0.013 1 76 9 9 TYR HA H 4.83 0.013 1 77 9 9 TYR HB2 H 2.05 0.013 2 78 9 9 TYR HB3 H 2.97 0.013 2 79 9 9 TYR HD1 H 7.15 0.013 3 80 9 9 TYR HD2 H 7.15 0.013 3 81 9 9 TYR HE1 H 6.94 0.013 3 82 9 9 TYR HE2 H 6.94 0.013 3 83 9 9 TYR C C 175.5 0.01 1 84 9 9 TYR CA C 57.5 0.01 1 85 9 9 TYR CB C 43.7 0.01 1 86 9 9 TYR N N 120.0 0.02 1 87 9 9 TYR CD1 C 133.3 0.01 3 88 9 9 TYR CD2 C 133.3 0.01 3 89 9 9 TYR CE1 C 118.3 0.01 3 90 9 9 TYR CE2 C 118.3 0.01 3 91 10 10 CYS H H 7.76 0.013 1 92 10 10 CYS HA H 3.93 0.013 1 93 10 10 CYS HB2 H 2.37 0.013 2 94 10 10 CYS HB3 H 4.77 0.013 2 95 10 10 CYS C C 176.5 0.01 1 96 10 10 CYS CA C 59.0 0.01 1 97 10 10 CYS CB C 30.1 0.01 1 98 10 10 CYS N N 114.9 0.02 1 99 11 11 ILE H H 10.09 0.013 1 100 11 11 ILE HA H 4.44 0.013 1 101 11 11 ILE HB H 2.22 0.013 1 102 11 11 ILE HG12 H 1.57 0.013 2 103 11 11 ILE HG13 H 1.79 0.013 2 104 11 11 ILE HG2 H 1.27 0.013 1 105 11 11 ILE HD1 H 1.04 0.013 1 106 11 11 ILE C C 177.7 0.01 1 107 11 11 ILE CA C 64.2 0.01 1 108 11 11 ILE CB C 38.8 0.01 1 109 11 11 ILE CG1 C 28.0 0.01 1 110 11 11 ILE CG2 C 18.9 0.01 1 111 11 11 ILE CD1 C 13.9 0.01 1 112 11 11 ILE N N 124.8 0.02 1 113 12 12 CYS H H 7.59 0.013 1 114 12 12 CYS HA H 4.63 0.013 1 115 12 12 CYS HB2 H 3.14 0.013 2 116 12 12 CYS HB3 H 3.28 0.013 2 117 12 12 CYS C C 175.6 0.01 1 118 12 12 CYS CA C 58.4 0.01 1 119 12 12 CYS CB C 30.6 0.01 1 120 12 12 CYS N N 118.5 0.02 1 121 13 13 ARG H H 7.69 0.013 1 122 13 13 ARG HA H 3.89 0.013 1 123 13 13 ARG HB2 H 1.69 0.013 2 124 13 13 ARG HB3 H 2.32 0.013 2 125 13 13 ARG HG2 H 1.55 0.013 2 126 13 13 ARG HG3 H 1.73 0.013 2 127 13 13 ARG HD2 H 3.14 0.013 2 128 13 13 ARG HD3 H 3.22 0.013 2 129 13 13 ARG HE H 6.91 0.013 1 130 13 13 ARG C C 173.9 0.01 1 131 13 13 ARG CA C 55.2 0.01 1 132 13 13 ARG CB C 25.4 0.01 1 133 13 13 ARG CG C 24.7 0.01 1 134 13 13 ARG CD C 42.2 0.01 1 135 13 13 ARG CZ C 159.8 0.01 1 136 13 13 ARG N N 119.7 0.02 1 137 13 13 ARG NE N 82.7 0.02 1 138 14 14 GLN H H 8.10 0.013 1 139 14 14 GLN HA H 5.05 0.013 1 140 14 14 GLN HB2 H 2.15 0.013 2 141 14 14 GLN HB3 H 2.25 0.013 2 142 14 14 GLN HG2 H 2.49 0.013 2 143 14 14 GLN HG3 H 2.49 0.013 2 144 14 14 GLN HE21 H 7.33 0.013 2 145 14 14 GLN HE22 H 6.84 0.013 2 146 14 14 GLN CA C 53.4 0.01 1 147 14 14 GLN CB C 31.3 0.01 1 148 14 14 GLN CG C 33.6 0.01 1 149 14 14 GLN CD C 180.9 0.01 1 150 14 14 GLN N N 117.5 0.02 1 151 14 14 GLN NE2 N 112.4 0.02 1 152 15 15 PRO HA H 5.24 0.013 1 153 15 15 PRO HB2 H 2.50 0.013 2 154 15 15 PRO HB3 H 1.89 0.013 2 155 15 15 PRO HG2 H 1.84 0.013 2 156 15 15 PRO HG3 H 1.97 0.013 2 157 15 15 PRO HD2 H 3.56 0.013 2 158 15 15 PRO HD3 H 3.68 0.013 2 159 15 15 PRO C C 177.9 0.01 1 160 15 15 PRO CA C 61.9 0.01 1 161 15 15 PRO CB C 32.7 0.01 1 162 15 15 PRO CG C 27.6 0.01 1 163 15 15 PRO CD C 51.0 0.01 1 164 16 16 HIS H H 9.79 0.013 1 165 16 16 HIS HA H 4.45 0.013 1 166 16 16 HIS HB2 H 2.95 0.013 2 167 16 16 HIS HB3 H 3.20 0.013 2 168 16 16 HIS C C 176.0 0.01 1 169 16 16 HIS CA C 59.8 0.01 1 170 16 16 HIS CB C 31.3 0.01 1 171 16 16 HIS N N 122.5 0.02 1 172 16 16 HIS CD2 C 119.8 0.01 1 173 16 16 HIS HD2 H 7.22 0.01 1 174 16 16 HIS CE1 C 138.9 0.01 1 175 16 16 HIS HE1 H 7.79 0.01 1 176 17 17 ASN H H 8.42 0.013 1 177 17 17 ASN HA H 4.16 0.013 1 178 17 17 ASN HB2 H 2.41 0.013 2 179 17 17 ASN HB3 H 3.05 0.013 2 180 17 17 ASN HD21 H 7.28 0.013 2 181 17 17 ASN HD22 H 6.91 0.013 2 182 17 17 ASN C C 174.1 0.01 1 183 17 17 ASN CA C 53.8 0.01 1 184 17 17 ASN CB C 37.5 0.01 1 185 17 17 ASN CG C 177.9 0.01 1 186 17 17 ASN N N 115.3 0.02 1 187 17 17 ASN ND2 N 111.3 0.02 1 188 18 18 ASN H H 9.05 0.013 1 189 18 18 ASN HA H 4.21 0.013 1 190 18 18 ASN HB2 H 2.91 0.013 2 191 18 18 ASN HB3 H 3.05 0.013 2 192 18 18 ASN HD21 H 7.57 0.013 2 193 18 18 ASN HD22 H 6.89 0.013 2 194 18 18 ASN C C 174.7 0.01 1 195 18 18 ASN CA C 54.8 0.01 1 196 18 18 ASN CB C 37.1 0.01 1 197 18 18 ASN CG C 178.8 0.01 1 198 18 18 ASN N N 111.7 0.02 1 199 18 18 ASN ND2 N 113.5 0.02 1 200 19 19 ARG H H 7.71 0.013 1 201 19 19 ARG HA H 4.42 0.013 1 202 19 19 ARG HB2 H 2.00 0.013 2 203 19 19 ARG HB3 H 2.27 0.013 2 204 19 19 ARG HG2 H 1.76 0.013 2 205 19 19 ARG HG3 H 1.87 0.013 2 206 19 19 ARG HD2 H 2.94 0.013 2 207 19 19 ARG HD3 H 3.26 0.013 2 208 19 19 ARG HE H 7.28 0.013 1 209 19 19 ARG C C 175.9 0.01 1 210 19 19 ARG CA C 55.7 0.01 1 211 19 19 ARG CB C 32.9 0.01 1 212 19 19 ARG CG C 26.5 0.01 1 213 19 19 ARG CD C 44.4 0.01 1 214 19 19 ARG CZ C 159.6 0.01 1 215 19 19 ARG N N 120.0 0.02 1 216 19 19 ARG NE N 82.3 0.02 1 217 20 20 PHE H H 8.68 0.013 1 218 20 20 PHE HA H 4.50 0.013 1 219 20 20 PHE HB2 H 2.92 0.013 2 220 20 20 PHE HB3 H 3.40 0.013 2 221 20 20 PHE HD1 H 7.25 0.013 3 222 20 20 PHE HD2 H 7.25 0.013 3 223 20 20 PHE HE1 H 7.15 0.013 3 224 20 20 PHE HE2 H 7.15 0.013 3 225 20 20 PHE HZ H 7.05 0.013 1 226 20 20 PHE C C 175.5 0.01 1 227 20 20 PHE CA C 59.8 0.01 1 228 20 20 PHE CB C 38.7 0.01 1 229 20 20 PHE N N 120.2 0.02 1 230 20 20 PHE CD1 C 131.4 0.01 3 231 20 20 PHE CD2 C 131.4 0.01 3 232 20 20 PHE CE1 C 129.6 0.01 3 233 20 20 PHE CE2 C 129.6 0.01 3 234 20 20 PHE CZ C 129.6 0.01 1 235 21 21 MET H H 7.87 0.013 1 236 21 21 MET HA H 5.30 0.013 1 237 21 21 MET HB2 H 1.59 0.013 2 238 21 21 MET HB3 H 1.81 0.013 2 239 21 21 MET HG2 H 2.25 0.013 2 240 21 21 MET HG3 H 2.42 0.013 2 241 21 21 MET HE H 0.89 0.013 1 242 21 21 MET C C 173.1 0.01 1 243 21 21 MET CA C 52.7 0.01 1 244 21 21 MET CB C 36.2 0.01 1 245 21 21 MET CG C 31.6 0.01 1 246 21 21 MET CE C 14.8 0.01 1 247 21 21 MET N N 129.1 0.02 1 248 22 22 ILE H H 9.18 0.013 1 249 22 22 ILE HA H 4.38 0.013 1 250 22 22 ILE HB H 1.15 0.013 1 251 22 22 ILE HG12 H 0.62 0.013 2 252 22 22 ILE HG13 H 1.25 0.013 2 253 22 22 ILE HG2 H 0.28 0.013 1 254 22 22 ILE HD1 H 0.52 0.013 1 255 22 22 ILE C C 171.3 0.01 1 256 22 22 ILE CA C 59.1 0.01 1 257 22 22 ILE CB C 43.1 0.01 1 258 22 22 ILE CG1 C 28.3 0.01 1 259 22 22 ILE CG2 C 15.0 0.01 1 260 22 22 ILE CD1 C 15.1 0.01 1 261 22 22 ILE N N 119.1 0.02 1 262 23 23 CYS H H 8.00 0.013 1 263 23 23 CYS HA H 4.38 0.013 1 264 23 23 CYS HB2 H -0.03 0.013 2 265 23 23 CYS HB3 H 1.58 0.013 2 266 23 23 CYS HG H 0.11 0.013 1 267 23 23 CYS C C 174.4 0.01 1 268 23 23 CYS CA C 56.6 0.01 1 269 23 23 CYS CB C 27.1 0.01 1 270 23 23 CYS N N 128.4 0.02 1 271 24 24 CYS H H 8.77 0.013 1 272 24 24 CYS HA H 4.54 0.013 1 273 24 24 CYS HB2 H 2.81 0.013 2 274 24 24 CYS HB3 H 3.68 0.013 2 275 24 24 CYS C C 177.3 0.01 1 276 24 24 CYS CA C 59.4 0.01 1 277 24 24 CYS CB C 32.9 0.01 1 278 24 24 CYS N N 129.7 0.02 1 279 25 25 ASP H H 9.43 0.013 1 280 25 25 ASP HA H 4.51 0.013 1 281 25 25 ASP HB2 H 2.51 0.013 2 282 25 25 ASP HB3 H 2.59 0.013 2 283 25 25 ASP C C 175.8 0.01 1 284 25 25 ASP CA C 57.4 0.01 1 285 25 25 ASP CB C 42.6 0.01 1 286 25 25 ASP N N 130.0 0.02 1 287 26 26 ARG H H 9.40 0.013 1 288 26 26 ARG HA H 4.52 0.013 1 289 26 26 ARG HB2 H 2.07 0.013 2 290 26 26 ARG HB3 H 2.16 0.013 2 291 26 26 ARG HG2 H 1.62 0.013 2 292 26 26 ARG HG3 H 1.62 0.013 2 293 26 26 ARG HD2 H 3.13 0.013 2 294 26 26 ARG HD3 H 3.22 0.013 2 295 26 26 ARG HE H 7.32 0.013 1 296 26 26 ARG C C 177.0 0.01 1 297 26 26 ARG CA C 57.9 0.01 1 298 26 26 ARG CB C 30.9 0.01 1 299 26 26 ARG CG C 27.5 0.01 1 300 26 26 ARG CD C 42.9 0.01 1 301 26 26 ARG CZ C 159.4 0.01 1 302 26 26 ARG N N 120.8 0.02 1 303 26 26 ARG NE N 84.9 0.02 1 304 27 27 CYS H H 8.56 0.013 1 305 27 27 CYS HA H 4.77 0.013 1 306 27 27 CYS HB2 H 2.67 0.013 2 307 27 27 CYS HB3 H 3.23 0.013 2 308 27 27 CYS C C 176.2 0.01 1 309 27 27 CYS CA C 59.5 0.01 1 310 27 27 CYS CB C 31.9 0.01 1 311 27 27 CYS N N 119.0 0.02 1 312 28 28 GLU H H 7.64 0.013 1 313 28 28 GLU HA H 4.17 0.013 1 314 28 28 GLU HB2 H 2.15 0.013 2 315 28 28 GLU HB3 H 2.18 0.013 2 316 28 28 GLU HG2 H 1.97 0.013 2 317 28 28 GLU HG3 H 2.04 0.013 2 318 28 28 GLU C C 174.7 0.01 1 319 28 28 GLU CA C 58.4 0.01 1 320 28 28 GLU CB C 27.1 0.01 1 321 28 28 GLU CG C 37.3 0.01 1 322 28 28 GLU N N 116.7 0.02 1 323 29 29 GLU H H 8.21 0.013 1 324 29 29 GLU HA H 4.62 0.013 1 325 29 29 GLU HB2 H 2.08 0.013 2 326 29 29 GLU HB3 H 2.21 0.013 2 327 29 29 GLU HG2 H 2.07 0.013 2 328 29 29 GLU HG3 H 2.07 0.013 2 329 29 29 GLU C C 174.7 0.01 1 330 29 29 GLU CA C 55.7 0.01 1 331 29 29 GLU CB C 31.0 0.01 1 332 29 29 GLU CG C 36.3 0.01 1 333 29 29 GLU N N 120.6 0.02 1 334 30 30 TRP H H 8.30 0.013 1 335 30 30 TRP HA H 4.85 0.013 1 336 30 30 TRP HB2 H 2.38 0.013 2 337 30 30 TRP HB3 H 2.38 0.013 2 338 30 30 TRP HD1 H 7.19 0.013 1 339 30 30 TRP HE1 H 9.85 0.013 1 340 30 30 TRP HE3 H 6.87 0.013 1 341 30 30 TRP HZ2 H 7.40 0.013 1 342 30 30 TRP HZ3 H 6.66 0.013 1 343 30 30 TRP HH2 H 7.07 0.013 1 344 30 30 TRP C C 175.6 0.01 1 345 30 30 TRP CA C 56.8 0.01 1 346 30 30 TRP CB C 31.3 0.01 1 347 30 30 TRP N N 121.0 0.02 1 348 30 30 TRP NE1 N 129.6 0.02 1 349 30 30 TRP CD1 C 127.2 0.01 1 350 30 30 TRP CE3 C 120.2 0.01 1 351 30 30 TRP CZ3 C 121.7 0.01 1 352 30 30 TRP CZ2 C 114.6 0.01 1 353 30 30 TRP CH2 C 124.7 0.01 1 354 31 31 PHE H H 9.21 0.013 1 355 31 31 PHE HA H 4.57 0.013 1 356 31 31 PHE HB2 H 2.54 0.013 2 357 31 31 PHE HB3 H 3.29 0.013 2 358 31 31 PHE HD1 H 7.52 0.013 3 359 31 31 PHE HD2 H 7.52 0.013 3 360 31 31 PHE HE1 H 7.22 0.013 3 361 31 31 PHE HE2 H 7.22 0.013 3 362 31 31 PHE HZ H 7.65 0.013 1 363 31 31 PHE C C 176.8 0.01 1 364 31 31 PHE CA C 56.6 0.01 1 365 31 31 PHE CB C 42.5 0.01 1 366 31 31 PHE N N 117.2 0.02 1 367 31 31 PHE CD1 C 132.5 0.01 3 368 31 31 PHE CD2 C 132.5 0.01 3 369 31 31 PHE CE1 C 131.2 0.01 3 370 31 31 PHE CE2 C 131.2 0.01 3 371 31 31 PHE CZ C 131.2 0.01 1 372 32 32 HIS H H 9.74 0.013 1 373 32 32 HIS HA H 5.17 0.013 1 374 32 32 HIS HB2 H 3.44 0.013 2 375 32 32 HIS HB3 H 4.19 0.013 2 376 32 32 HIS C C 178.4 0.01 1 377 32 32 HIS CA C 57.3 0.01 1 378 32 32 HIS CB C 29.8 0.01 1 379 32 32 HIS N N 122.6 0.02 1 380 32 32 HIS CD2 C 118.3 0.01 1 381 32 32 HIS CE1 C 138.6 0.01 1 382 33 33 GLY H H 9.09 0.013 1 383 33 33 GLY HA2 H 3.65 0.013 2 384 33 33 GLY HA3 H 4.24 0.013 2 385 33 33 GLY C C 176.6 0.01 1 386 33 33 GLY CA C 48.5 0.01 1 387 33 33 GLY N N 114.9 0.02 1 388 34 34 ASP H H 9.11 0.013 1 389 34 34 ASP HA H 4.39 0.013 1 390 34 34 ASP HB2 H 2.70 0.013 2 391 34 34 ASP HB3 H 2.84 0.013 2 392 34 34 ASP C C 179.2 0.01 1 393 34 34 ASP CA C 56.7 0.01 1 394 34 34 ASP CB C 40.0 0.01 1 395 34 34 ASP N N 118.2 0.02 1 396 35 35 CYS H H 7.66 0.013 1 397 35 35 CYS HA H 4.23 0.013 1 398 35 35 CYS HB2 H 3.14 0.013 2 399 35 35 CYS HB3 H 3.46 0.013 2 400 35 35 CYS C C 177.3 0.01 1 401 35 35 CYS CA C 63.0 0.01 1 402 35 35 CYS CB C 30.6 0.01 1 403 35 35 CYS N N 119.5 0.02 1 404 36 36 VAL H H 7.36 0.013 1 405 36 36 VAL HA H 4.62 0.013 1 406 36 36 VAL HB H 2.55 0.013 1 407 36 36 VAL HG1 H 0.82 0.013 2 408 36 36 VAL HG2 H 0.86 0.013 2 409 36 36 VAL C C 175.9 0.01 1 410 36 36 VAL CA C 60.5 0.01 1 411 36 36 VAL CB C 32.0 0.01 1 412 36 36 VAL CG1 C 17.8 0.01 1 413 36 36 VAL CG2 C 21.7 0.01 1 414 36 36 VAL N N 107.0 0.02 1 415 37 37 GLY H H 7.67 0.013 1 416 37 37 GLY HA2 H 3.90 0.013 2 417 37 37 GLY HA3 H 4.09 0.013 2 418 37 37 GLY C C 174.4 0.01 1 419 37 37 GLY CA C 46.8 0.01 1 420 37 37 GLY N N 110.3 0.02 1 421 38 38 ILE H H 8.51 0.013 1 422 38 38 ILE HA H 4.33 0.013 1 423 38 38 ILE HB H 1.68 0.013 1 424 38 38 ILE HG12 H 1.21 0.013 2 425 38 38 ILE HG13 H 1.21 0.013 2 426 38 38 ILE HG2 H 0.80 0.013 1 427 38 38 ILE HD1 H 0.73 0.013 1 428 38 38 ILE C C 174.0 0.01 1 429 38 38 ILE CA C 59.0 0.01 1 430 38 38 ILE CB C 38.8 0.01 1 431 38 38 ILE CG1 C 26.7 0.01 1 432 38 38 ILE CG2 C 16.7 0.01 1 433 38 38 ILE CD1 C 11.5 0.01 1 434 38 38 ILE N N 122.2 0.02 1 435 39 39 SER H H 8.00 0.013 1 436 39 39 SER HA H 4.45 0.013 1 437 39 39 SER HB2 H 3.95 0.013 2 438 39 39 SER HB3 H 4.22 0.013 2 439 39 39 SER C C 174.2 0.01 1 440 39 39 SER CA C 56.8 0.01 1 441 39 39 SER CB C 65.2 0.01 1 442 39 39 SER N N 121.5 0.02 1 443 40 40 GLU H H 8.67 0.013 1 444 40 40 GLU HA H 2.57 0.013 1 445 40 40 GLU HB2 H 1.53 0.013 2 446 40 40 GLU HB3 H 1.66 0.013 2 447 40 40 GLU HG2 H 1.82 0.013 2 448 40 40 GLU HG3 H 1.82 0.013 2 449 40 40 GLU C C 178.0 0.01 1 450 40 40 GLU CA C 59.2 0.01 1 451 40 40 GLU CB C 29.0 0.01 1 452 40 40 GLU CG C 36.1 0.01 1 453 40 40 GLU N N 122.6 0.02 1 454 41 41 ALA H H 8.12 0.013 1 455 41 41 ALA HA H 3.93 0.013 1 456 41 41 ALA HB H 1.31 0.013 1 457 41 41 ALA C C 180.5 0.01 1 458 41 41 ALA CA C 54.9 0.01 1 459 41 41 ALA CB C 18.1 0.01 1 460 41 41 ALA N N 119.7 0.02 1 461 42 42 ARG H H 7.84 0.013 1 462 42 42 ARG HA H 4.09 0.013 1 463 42 42 ARG HB2 H 1.86 0.013 2 464 42 42 ARG HB3 H 2.01 0.013 2 465 42 42 ARG HG2 H 1.65 0.013 2 466 42 42 ARG HG3 H 1.73 0.013 2 467 42 42 ARG HD2 H 3.23 0.013 2 468 42 42 ARG HD3 H 3.31 0.013 2 469 42 42 ARG C C 178.6 0.01 1 470 42 42 ARG CA C 58.2 0.01 1 471 42 42 ARG CB C 29.5 0.01 1 472 42 42 ARG CG C 27.4 0.01 1 473 42 42 ARG CD C 43.1 0.01 1 474 42 42 ARG N N 120.1 0.02 1 475 43 43 GLY H H 8.87 0.013 1 476 43 43 GLY HA2 H 3.72 0.013 2 477 43 43 GLY HA3 H 3.78 0.013 2 478 43 43 GLY C C 175.9 0.01 1 479 43 43 GLY CA C 47.2 0.01 1 480 43 43 GLY N N 108.6 0.02 1 481 44 44 ARG H H 8.24 0.013 1 482 44 44 ARG HA H 4.23 0.013 1 483 44 44 ARG HB2 H 1.86 0.013 2 484 44 44 ARG HB3 H 1.89 0.013 2 485 44 44 ARG HG2 H 1.74 0.013 2 486 44 44 ARG HG3 H 1.74 0.013 2 487 44 44 ARG HD2 H 3.15 0.013 2 488 44 44 ARG HD3 H 3.23 0.013 2 489 44 44 ARG HE H 7.45 0.013 1 490 44 44 ARG C C 178.8 0.01 1 491 44 44 ARG CA C 58.5 0.01 1 492 44 44 ARG CB C 29.8 0.01 1 493 44 44 ARG CG C 27.5 0.01 1 494 44 44 ARG CD C 43.2 0.01 1 495 44 44 ARG CZ C 159.6 0.01 1 496 44 44 ARG N N 120.5 0.02 1 497 44 44 ARG NE N 85.1 0.02 1 498 45 45 LEU H H 7.59 0.013 1 499 45 45 LEU HA H 4.13 0.013 1 500 45 45 LEU HB2 H 1.77 0.013 2 501 45 45 LEU HB3 H 1.80 0.013 2 502 45 45 LEU HG H 1.69 0.013 1 503 45 45 LEU HD1 H 0.88 0.013 2 504 45 45 LEU HD2 H 0.92 0.013 2 505 45 45 LEU C C 178.5 0.01 1 506 45 45 LEU CA C 57.7 0.01 1 507 45 45 LEU CB C 41.9 0.01 1 508 45 45 LEU CG C 26.8 0.01 1 509 45 45 LEU CD1 C 24.3 0.01 1 510 45 45 LEU CD2 C 24.6 0.01 1 511 45 45 LEU N N 122.1 0.02 1 512 46 46 LEU H H 8.16 0.013 1 513 46 46 LEU HA H 4.10 0.013 1 514 46 46 LEU HB2 H 1.66 0.013 2 515 46 46 LEU HB3 H 1.96 0.013 2 516 46 46 LEU HG H 1.88 0.013 1 517 46 46 LEU HD1 H 0.86 0.013 2 518 46 46 LEU HD2 H 0.93 0.013 2 519 46 46 LEU C C 179.3 0.01 1 520 46 46 LEU CA C 58.3 0.01 1 521 46 46 LEU CB C 41.5 0.01 1 522 46 46 LEU CG C 27.0 0.01 1 523 46 46 LEU CD1 C 23.3 0.01 1 524 46 46 LEU CD2 C 25.9 0.01 1 525 46 46 LEU N N 120.1 0.02 1 526 47 47 GLU H H 7.77 0.013 1 527 47 47 GLU HA H 4.18 0.013 1 528 47 47 GLU HB2 H 2.18 0.013 2 529 47 47 GLU HB3 H 2.24 0.013 2 530 47 47 GLU HG2 H 2.26 0.013 2 531 47 47 GLU HG3 H 2.46 0.013 2 532 47 47 GLU C C 179.7 0.01 1 533 47 47 GLU CA C 58.8 0.01 1 534 47 47 GLU CB C 29.9 0.01 1 535 47 47 GLU CG C 36.2 0.01 1 536 47 47 GLU N N 117.8 0.02 1 537 48 48 ARG H H 8.25 0.013 1 538 48 48 ARG HA H 4.16 0.013 1 539 48 48 ARG HB2 H 1.97 0.013 2 540 48 48 ARG HB3 H 1.97 0.013 2 541 48 48 ARG HG2 H 1.73 0.013 2 542 48 48 ARG HG3 H 1.79 0.013 2 543 48 48 ARG HD2 H 3.21 0.013 2 544 48 48 ARG HD3 H 3.21 0.013 2 545 48 48 ARG HE H 7.24 0.013 1 546 48 48 ARG C C 177.8 0.01 1 547 48 48 ARG CA C 58.4 0.01 1 548 48 48 ARG CB C 30.2 0.01 1 549 48 48 ARG CG C 27.1 0.01 1 550 48 48 ARG CD C 43.6 0.01 1 551 48 48 ARG N N 120.5 0.02 1 552 48 48 ARG NE N 84.8 0.02 1 553 49 49 ASN H H 8.27 0.013 1 554 49 49 ASN HA H 4.74 0.013 1 555 49 49 ASN HB2 H 2.90 0.013 2 556 49 49 ASN HB3 H 2.98 0.013 2 557 49 49 ASN HD21 H 7.61 0.013 2 558 49 49 ASN HD22 H 6.75 0.013 2 559 49 49 ASN C C 176.0 0.01 1 560 49 49 ASN CA C 53.1 0.01 1 561 49 49 ASN CB C 38.8 0.01 1 562 49 49 ASN CG C 176.7 0.01 1 563 49 49 ASN N N 116.1 0.02 1 564 49 49 ASN ND2 N 110.9 0.02 1 565 50 50 GLY H H 8.04 0.013 1 566 50 50 GLY HA2 H 3.96 0.013 2 567 50 50 GLY HA3 H 3.96 0.013 2 568 50 50 GLY C C 174.7 0.01 1 569 50 50 GLY CA C 46.6 0.01 1 570 50 50 GLY N N 110.3 0.02 1 571 51 51 GLU H H 8.18 0.013 1 572 51 51 GLU HA H 4.35 0.013 1 573 51 51 GLU HB2 H 1.93 0.013 2 574 51 51 GLU HB3 H 2.04 0.013 2 575 51 51 GLU HG2 H 2.21 0.013 2 576 51 51 GLU HG3 H 2.21 0.013 2 577 51 51 GLU C C 175.3 0.01 1 578 51 51 GLU CA C 55.5 0.01 1 579 51 51 GLU CB C 31.9 0.01 1 580 51 51 GLU CG C 36.7 0.01 1 581 51 51 GLU N N 120.3 0.02 1 582 52 52 ASP H H 8.35 0.013 1 583 52 52 ASP HA H 4.65 0.013 1 584 52 52 ASP HB2 H 2.45 0.013 2 585 52 52 ASP HB3 H 2.45 0.013 2 586 52 52 ASP C C 175.8 0.01 1 587 52 52 ASP CA C 54.1 0.01 1 588 52 52 ASP CB C 41.8 0.01 1 589 52 52 ASP N N 121.9 0.02 1 590 53 53 TYR H H 9.31 0.013 1 591 53 53 TYR HA H 4.48 0.013 1 592 53 53 TYR HB2 H 2.85 0.013 2 593 53 53 TYR HB3 H 2.85 0.013 2 594 53 53 TYR HD1 H 6.75 0.013 3 595 53 53 TYR HD2 H 6.75 0.013 3 596 53 53 TYR HE1 H 6.29 0.013 3 597 53 53 TYR HE2 H 6.29 0.013 3 598 53 53 TYR C C 172.5 0.01 1 599 53 53 TYR CA C 58.7 0.01 1 600 53 53 TYR CB C 39.1 0.01 1 601 53 53 TYR N N 122.9 0.02 1 602 53 53 TYR CD1 C 132.4 0.01 3 603 53 53 TYR CD2 C 132.4 0.01 3 604 53 53 TYR CE1 C 117.2 0.01 3 605 53 53 TYR CE2 C 117.2 0.01 3 606 54 54 ILE H H 6.80 0.013 1 607 54 54 ILE HA H 4.63 0.013 1 608 54 54 ILE HB H 1.47 0.013 1 609 54 54 ILE HG12 H 0.97 0.013 2 610 54 54 ILE HG13 H 1.27 0.013 2 611 54 54 ILE HG2 H 0.66 0.013 1 612 54 54 ILE HD1 H 0.71 0.013 1 613 54 54 ILE C C 174.9 0.01 1 614 54 54 ILE CA C 58.4 0.01 1 615 54 54 ILE CB C 38.3 0.01 1 616 54 54 ILE CG1 C 26.9 0.01 1 617 54 54 ILE CG2 C 18.7 0.01 1 618 54 54 ILE CD1 C 12.2 0.01 1 619 54 54 ILE N N 127.5 0.02 1 620 55 55 CYS H H 9.05 0.013 1 621 55 55 CYS HA H 4.32 0.013 1 622 55 55 CYS HB2 H 2.10 0.013 2 623 55 55 CYS HB3 H 2.34 0.013 2 624 55 55 CYS CA C 58.1 0.01 1 625 55 55 CYS CB C 30.7 0.01 1 626 55 55 CYS N N 131.6 0.02 1 627 56 56 PRO HA H 4.19 0.013 1 628 56 56 PRO HB2 H 2.42 0.013 2 629 56 56 PRO HB3 H 1.74 0.013 2 630 56 56 PRO HG2 H 1.93 0.013 2 631 56 56 PRO HG3 H 1.93 0.013 2 632 56 56 PRO HD2 H 2.99 0.013 2 633 56 56 PRO HD3 H 3.77 0.013 2 634 56 56 PRO C C 178.8 0.01 1 635 56 56 PRO CA C 65.2 0.01 1 636 56 56 PRO CB C 32.3 0.01 1 637 56 56 PRO CG C 28.0 0.01 1 638 56 56 PRO CD C 50.1 0.01 1 639 57 57 ASN H H 8.37 0.013 1 640 57 57 ASN HA H 4.56 0.013 1 641 57 57 ASN HB2 H 2.85 0.013 2 642 57 57 ASN HB3 H 3.06 0.013 2 643 57 57 ASN HD21 H 8.11 0.013 2 644 57 57 ASN HD22 H 6.99 0.013 2 645 57 57 ASN C C 177.2 0.01 1 646 57 57 ASN CA C 55.3 0.01 1 647 57 57 ASN CB C 38.8 0.01 1 648 57 57 ASN CG C 176.5 0.01 1 649 57 57 ASN N N 116.2 0.02 1 650 57 57 ASN ND2 N 113.8 0.02 1 651 58 58 CYS H H 8.31 0.013 1 652 58 58 CYS HA H 4.02 0.013 1 653 58 58 CYS HB2 H 2.77 0.013 2 654 58 58 CYS HB3 H 2.82 0.013 2 655 58 58 CYS C C 176.5 0.01 1 656 58 58 CYS CA C 62.7 0.01 1 657 58 58 CYS CB C 30.5 0.01 1 658 58 58 CYS N N 122.4 0.02 1 659 59 59 THR H H 7.60 0.013 1 660 59 59 THR HA H 3.85 0.013 1 661 59 59 THR HB H 4.04 0.013 1 662 59 59 THR HG2 H 1.09 0.013 1 663 59 59 THR C C 174.1 0.01 1 664 59 59 THR CA C 64.6 0.01 1 665 59 59 THR CB C 69.5 0.01 1 666 59 59 THR CG2 C 21.0 0.01 1 667 59 59 THR N N 115.6 0.02 1 668 60 60 ILE H H 7.47 0.013 1 669 60 60 ILE HA H 4.21 0.013 1 670 60 60 ILE HB H 1.95 0.013 1 671 60 60 ILE HG12 H 1.18 0.013 2 672 60 60 ILE HG13 H 1.40 0.013 2 673 60 60 ILE HG2 H 0.90 0.013 1 674 60 60 ILE HD1 H 0.85 0.013 1 675 60 60 ILE C C 175.2 0.01 1 676 60 60 ILE CA C 61.2 0.01 1 677 60 60 ILE CB C 38.5 0.01 1 678 60 60 ILE CG1 C 26.8 0.01 1 679 60 60 ILE CG2 C 17.7 0.01 1 680 60 60 ILE CD1 C 13.2 0.01 1 681 60 60 ILE N N 120.7 0.02 1 682 61 61 LEU H H 7.56 0.013 1 683 61 61 LEU HA H 4.14 0.013 1 684 61 61 LEU HB2 H 1.52 0.013 2 685 61 61 LEU HB3 H 1.60 0.013 2 686 61 61 LEU HG H 1.62 0.013 1 687 61 61 LEU HD1 H 0.83 0.013 2 688 61 61 LEU HD2 H 0.89 0.013 2 689 61 61 LEU CA C 56.9 0.01 1 690 61 61 LEU CB C 43.2 0.01 1 691 61 61 LEU CG C 26.9 0.01 1 692 61 61 LEU CD1 C 23.3 0.01 1 693 61 61 LEU CD2 C 25.4 0.01 1 694 61 61 LEU N N 131.2 0.02 1 stop_ save_