data_18449 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure, sulfatide-binding properties, and inhibition of platelet aggregation by a Disabled-2-derived peptide ; _BMRB_accession_number 18449 _BMRB_flat_file_name bmr18449.str _Entry_type original _Submission_date 2012-05-08 _Accession_date 2012-05-08 _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 Xiao Shuyan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 205 "13C chemical shifts" 101 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-08 update BMRB 'update entry citation' 2012-09-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure, sulfatide binding properties, and inhibition of platelet aggregation by a disabled-2 protein-derived peptide.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22977233 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xiao Shuyan . . 2 Charonko John J. . 3 Fu Xiangping . . 4 Salmanzadeh Alireza . . 5 Davalos Rafael V. . 6 Vlachos Pavlos P. . 7 Finkielstein Carla V. . 8 Capelluto Daniel G.S. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 45 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 37691 _Page_last 37702 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SBM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SBM $SBM 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_SBM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SBM _Molecular_mass 3993.754 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 35 _Mol_residue_sequence ; SKKEKKKGPEKTDEYLLARF KGDGVKYKAKLIGID ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 24 SER 2 25 LYS 3 26 LYS 4 27 GLU 5 28 LYS 6 29 LYS 7 30 LYS 8 31 GLY 9 32 PRO 10 33 GLU 11 34 LYS 12 35 THR 13 36 ASP 14 37 GLU 15 38 TYR 16 39 LEU 17 40 LEU 18 41 ALA 19 42 ARG 20 43 PHE 21 44 LYS 22 45 GLY 23 46 ASP 24 47 GLY 25 48 VAL 26 49 LYS 27 50 TYR 28 51 LYS 29 52 ALA 30 53 LYS 31 54 LEU 32 55 ILE 33 56 GLY 34 57 ILE 35 58 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-25 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 1M7E "Crystal Structure Of The Phosphotyrosine Binding Domain(Ptb) Of Mouse Disabled 2(Dab2):implications For Reeling Signaling" 74.29 160 100.00 100.00 1.01e-07 PDB 1P3R "Crystal Structure Of The Phosphotyrosin Binding Domain(Ptb) Of Mouse Disabled 1(Dab1)" 74.29 160 100.00 100.00 1.01e-07 PDB 2LSW "Structure, Sulfatide-Binding Properties, And Inhibition Of Platelet Aggregation By A Disabled-2-Derived Peptide" 100.00 40 100.00 100.00 2.21e-13 DBJ BAB22405 "unnamed protein product [Mus musculus]" 100.00 235 97.14 97.14 4.93e-12 DBJ BAE32784 "unnamed protein product [Mus musculus]" 100.00 766 97.14 97.14 6.17e-12 DBJ BAE37047 "unnamed protein product [Mus musculus]" 100.00 527 97.14 97.14 1.12e-11 DBJ BAE37084 "unnamed protein product [Mus musculus]" 100.00 548 97.14 97.14 8.13e-12 DBJ BAE38234 "unnamed protein product [Mus musculus]" 100.00 548 97.14 97.14 7.16e-12 EMBL CAH89644 "hypothetical protein [Pongo abelii]" 100.00 552 100.00 100.00 7.39e-13 GB AAA98975 "DOC-2 [Homo sapiens]" 100.00 770 100.00 100.00 5.67e-13 GB AAB02645 "p93 [Mus musculus]" 100.00 745 97.14 97.14 7.58e-12 GB AAB02646 "p96 [Mus musculus]" 100.00 766 97.14 97.14 6.11e-12 GB AAB02647 "p67 [Mus musculus]" 100.00 548 97.14 97.14 7.89e-12 GB AAB19032 "mitogen-responsive phosphoprotein [Homo sapiens]" 100.00 229 100.00 100.00 2.97e-13 PIR A57542 "p96 protein - mouse" 100.00 837 97.14 97.14 3.18e-12 REF NP_001008702 "disabled homolog 2 isoform b [Mus musculus]" 100.00 548 97.14 97.14 8.13e-12 REF NP_001032994 "disabled homolog 2 isoform b [Mus musculus]" 100.00 548 97.14 97.14 8.13e-12 REF NP_001095870 "disabled homolog 2 isoform c [Mus musculus]" 100.00 527 97.14 97.14 9.36e-12 REF NP_001124738 "disabled homolog 2 [Pongo abelii]" 100.00 552 100.00 100.00 7.39e-13 REF NP_001180175 "disabled homolog 2 [Bos taurus]" 100.00 768 97.14 97.14 6.36e-12 SP O88797 "RecName: Full=Disabled homolog 2; AltName: Full=Adaptor molecule disabled-2; AltName: Full=C9; AltName: Full=Differentially exp" 100.00 768 97.14 97.14 6.12e-12 SP P98078 "RecName: Full=Disabled homolog 2; AltName: Full=Adaptor molecule disabled-2; AltName: Full=Differentially expressed in ovarian " 100.00 766 97.14 97.14 6.17e-12 SP P98082 "RecName: Full=Disabled homolog 2; AltName: Full=Adaptor molecule disabled-2; AltName: Full=Differentially expressed in ovarian " 100.00 770 100.00 100.00 4.54e-13 TPG DAA17841 "TPA: disabled homolog 2, mitogen-responsive phosphoprotein [Bos taurus]" 100.00 768 97.14 97.14 6.36e-12 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SBM 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 $SBM 'recombinant technology' . Escherichia coli . pgex-6p-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type micelle _Details 15N-SBM loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DSS 50 uM [U-2H] 'potassium chloride' 40 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' citric 10 mM '[U-99% 2H]' $SBM 1 mM 'natural abundance' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type micelle _Details unlabelled-SBM loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DSS 50 uM [U-2H] 'potassium chloride' 40 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' citric 10 mM '[U-99% 2H]' $SBM 1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type micelle _Details 13C,15N-SBM loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DSS 50 uM [U-2H] 'potassium chloride' 40 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' citric 10 mM '[U-99% 2H]' $SBM 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HN(CA)CO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 . pH 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 '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SBM _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 24 1 SER H H 8.407 0.02 1 2 24 1 SER HA H 4.477 0.02 1 3 24 1 SER HB2 H 3.871 0.02 1 4 24 1 SER HB3 H 3.871 0.02 1 5 24 1 SER C C 171.886 0.2 1 6 24 1 SER CA C 54.814 0.2 1 7 24 1 SER CB C 59.958 0.2 1 8 24 1 SER N N 118.052 0.2 1 9 25 2 LYS H H 8.318 0.02 1 10 25 2 LYS HA H 4.432 0.02 1 11 25 2 LYS HB2 H 1.728 0.02 2 12 25 2 LYS HB3 H 1.728 0.02 2 13 25 2 LYS HG2 H 1.448 0.02 2 14 25 2 LYS HG3 H 1.448 0.02 2 15 25 2 LYS C C 173.780 0.2 1 16 25 2 LYS CA C 52.743 0.2 1 17 25 2 LYS CB C 29.179 0.2 1 18 25 2 LYS N N 123.163 0.2 1 19 26 3 LYS H H 8.271 0.02 1 20 26 3 LYS HA H 4.283 0.02 1 21 26 3 LYS HB2 H 1.737 0.02 2 22 26 3 LYS HB3 H 1.737 0.02 2 23 26 3 LYS HG2 H 1.401 0.02 2 24 26 3 LYS HG3 H 1.401 0.02 2 25 26 3 LYS C C 173.736 0.2 1 26 26 3 LYS CA C 52.621 0.2 1 27 26 3 LYS CB C 29.325 0.2 1 28 26 3 LYS N N 122.612 0.2 1 29 27 4 GLU H H 8.350 0.02 1 30 27 4 GLU HA H 4.268 0.02 1 31 27 4 GLU HB2 H 1.981 0.02 2 32 27 4 GLU HB3 H 1.894 0.02 2 33 27 4 GLU HG2 H 2.231 0.02 2 34 27 4 GLU HG3 H 2.231 0.02 2 35 27 4 GLU C C 173.562 0.2 1 36 27 4 GLU CA C 52.535 0.2 1 37 27 4 GLU CB C 26.714 0.2 1 38 27 4 GLU N N 122.511 0.2 1 39 28 5 LYS H H 8.392 0.02 1 40 28 5 LYS HA H 4.255 0.02 1 41 28 5 LYS HB2 H 1.742 0.02 2 42 28 5 LYS HB3 H 1.742 0.02 2 43 28 5 LYS HG2 H 1.415 0.02 2 44 28 5 LYS HG3 H 1.415 0.02 2 45 28 5 LYS C C 173.649 0.2 1 46 28 5 LYS CA C 52.503 0.2 1 47 28 5 LYS CB C 29.336 0.2 1 48 28 5 LYS N N 123.542 0.2 1 49 29 6 LYS H H 8.367 0.02 1 50 29 6 LYS HA H 4.261 0.02 1 51 29 6 LYS HB2 H 1.735 0.02 2 52 29 6 LYS HB3 H 1.735 0.02 2 53 29 6 LYS HG2 H 1.419 0.02 2 54 29 6 LYS HG3 H 1.419 0.02 2 55 29 6 LYS C C 173.668 0.2 1 56 29 6 LYS CA C 52.457 0.2 1 57 29 6 LYS CB C 29.346 0.2 1 58 29 6 LYS N N 123.541 0.2 1 59 30 7 LYS H H 8.440 0.02 1 60 30 7 LYS HA H 4.303 0.02 1 61 30 7 LYS HB2 H 1.772 0.02 2 62 30 7 LYS HB3 H 1.772 0.02 2 63 30 7 LYS HG2 H 1.439 0.02 2 64 30 7 LYS HG3 H 1.439 0.02 2 65 30 7 LYS C C 174.004 0.2 1 66 30 7 LYS CA C 52.522 0.2 1 67 30 7 LYS CB C 29.553 0.2 1 68 30 7 LYS N N 123.696 0.2 1 69 31 8 GLY H H 8.318 0.02 1 70 31 8 GLY HA2 H 4.178 0.02 2 71 31 8 GLY HA3 H 3.993 0.02 2 72 31 8 GLY C C 168.877 0.2 1 73 31 8 GLY CA C 40.520 0.2 1 74 31 8 GLY N N 110.736 0.2 1 75 32 9 PRO HA H 4.402 0.02 1 76 32 9 PRO HB2 H 2.238 0.02 2 77 32 9 PRO HB3 H 1.880 0.02 2 78 32 9 PRO HG2 H 1.977 0.02 2 79 32 9 PRO HG3 H 1.977 0.02 2 80 32 9 PRO HD2 H 3.591 0.02 2 81 32 9 PRO HD3 H 3.591 0.02 2 82 32 9 PRO C C 174.308 0.2 1 83 32 9 PRO CA C 59.186 0.2 1 84 32 9 PRO CB C 28.434 0.2 1 85 33 10 GLU H H 8.589 0.02 1 86 33 10 GLU HA H 4.262 0.02 1 87 33 10 GLU HB2 H 2.032 0.02 2 88 33 10 GLU HB3 H 1.925 0.02 2 89 33 10 GLU HG2 H 2.304 0.02 2 90 33 10 GLU HG3 H 2.304 0.02 2 91 33 10 GLU C C 173.883 0.2 1 92 33 10 GLU CA C 52.751 0.2 1 93 33 10 GLU CB C 26.538 0.2 1 94 33 10 GLU N N 121.419 0.2 1 95 34 11 LYS H H 8.471 0.02 1 96 34 11 LYS HA H 4.394 0.02 1 97 34 11 LYS HB2 H 1.943 0.02 2 98 34 11 LYS HB3 H 1.756 0.02 2 99 34 11 LYS HG2 H 1.454 0.02 2 100 34 11 LYS HG3 H 1.454 0.02 2 101 34 11 LYS HD2 H 1.689 0.02 2 102 34 11 LYS HD3 H 1.689 0.02 2 103 34 11 LYS C C 174.352 0.2 1 104 34 11 LYS CA C 52.548 0.2 1 105 34 11 LYS CB C 29.297 0.2 1 106 34 11 LYS N N 122.500 0.2 1 107 35 12 THR H H 8.356 0.02 1 108 35 12 THR HA H 4.151 0.02 1 109 35 12 THR HB H 4.112 0.02 1 110 35 12 THR HG2 H 1.198 0.02 1 111 35 12 THR C C 172.139 0.2 1 112 35 12 THR CA C 60.091 0.2 1 113 35 12 THR CB C 65.388 0.2 1 114 35 12 THR N N 116.471 0.2 1 115 36 13 ASP H H 8.655 0.02 1 116 36 13 ASP HA H 4.412 0.02 1 117 36 13 ASP HB2 H 2.670 0.02 2 118 36 13 ASP HB3 H 2.670 0.02 2 119 36 13 ASP C C 173.604 0.2 1 120 36 13 ASP CA C 51.553 0.2 1 121 36 13 ASP CB C 35.813 0.2 1 122 36 13 ASP N N 120.494 0.2 1 123 37 14 GLU H H 8.034 0.02 1 124 37 14 GLU HA H 4.094 0.02 1 125 37 14 GLU HB2 H 1.997 0.02 2 126 37 14 GLU HB3 H 1.997 0.02 2 127 37 14 GLU HG2 H 2.309 0.02 2 128 37 14 GLU HG3 H 2.245 0.02 2 129 37 14 GLU C C 174.696 0.2 1 130 37 14 GLU CA C 54.159 0.2 1 131 37 14 GLU CB C 25.855 0.2 1 132 37 14 GLU N N 120.459 0.2 1 133 38 15 TYR H H 8.245 0.02 1 134 38 15 TYR HA H 4.400 0.02 1 135 38 15 TYR HB2 H 3.154 0.02 2 136 38 15 TYR HB3 H 3.085 0.02 2 137 38 15 TYR HD1 H 7.113 0.02 3 138 38 15 TYR HD2 H 7.113 0.02 3 139 38 15 TYR HE1 H 6.793 0.02 3 140 38 15 TYR HE2 H 6.793 0.02 3 141 38 15 TYR C C 174.195 0.2 1 142 38 15 TYR CA C 55.793 0.2 1 143 38 15 TYR CB C 34.569 0.2 1 144 38 15 TYR N N 120.652 0.2 1 145 39 16 LEU H H 8.348 0.02 1 146 39 16 LEU HA H 3.952 0.02 1 147 39 16 LEU HB2 H 1.853 0.02 2 148 39 16 LEU HB3 H 1.760 0.02 2 149 39 16 LEU HG H 1.469 0.02 1 150 39 16 LEU HD1 H 0.931 0.02 2 151 39 16 LEU HD2 H 0.931 0.02 2 152 39 16 LEU C C 175.464 0.2 1 153 39 16 LEU CA C 53.934 0.2 1 154 39 16 LEU CB C 38.514 0.2 1 155 39 16 LEU N N 120.954 0.2 1 156 40 17 LEU H H 8.097 0.02 1 157 40 17 LEU HA H 4.084 0.02 1 158 40 17 LEU HB2 H 1.730 0.02 2 159 40 17 LEU HB3 H 1.730 0.02 2 160 40 17 LEU HG H 1.470 0.02 1 161 40 17 LEU HD1 H 0.931 0.02 2 162 40 17 LEU HD2 H 0.931 0.02 2 163 40 17 LEU C C 175.709 0.2 1 164 40 17 LEU CA C 53.513 0.2 1 165 40 17 LEU CB C 37.771 0.2 1 166 40 17 LEU N N 117.546 0.2 1 167 41 18 ALA H H 7.829 0.02 1 168 41 18 ALA HA H 4.072 0.02 1 169 41 18 ALA HB H 1.446 0.02 1 170 41 18 ALA C C 177.428 0.2 1 171 41 18 ALA CA C 51.126 0.2 1 172 41 18 ALA CB C 14.780 0.2 1 173 41 18 ALA N N 120.206 0.2 1 174 42 19 ARG H H 7.888 0.02 1 175 42 19 ARG HA H 4.056 0.02 1 176 42 19 ARG HB2 H 1.593 0.02 2 177 42 19 ARG HB3 H 1.593 0.02 2 178 42 19 ARG HG2 H 1.255 0.02 2 179 42 19 ARG HG3 H 1.179 0.02 2 180 42 19 ARG HD2 H 2.998 0.02 2 181 42 19 ARG HD3 H 2.911 0.02 2 182 42 19 ARG HE H 7.428 0.02 1 183 42 19 ARG C C 174.758 0.2 1 184 42 19 ARG CA C 53.809 0.2 1 185 42 19 ARG CB C 25.921 0.2 1 186 42 19 ARG N N 117.440 0.2 1 187 43 20 PHE H H 7.955 0.02 1 188 43 20 PHE HA H 4.572 0.02 1 189 43 20 PHE HB2 H 3.307 0.02 2 190 43 20 PHE HB3 H 2.960 0.02 2 191 43 20 PHE HD1 H 7.232 0.02 3 192 43 20 PHE HD2 H 7.232 0.02 3 193 43 20 PHE HE1 H 7.171 0.02 3 194 43 20 PHE HE2 H 7.171 0.02 3 195 43 20 PHE C C 173.259 0.2 1 196 43 20 PHE CA C 54.930 0.2 1 197 43 20 PHE CB C 35.522 0.2 1 198 43 20 PHE N N 117.423 0.2 1 199 44 21 LYS H H 7.929 0.02 1 200 44 21 LYS HA H 4.074 0.02 1 201 44 21 LYS HB2 H 1.883 0.02 2 202 44 21 LYS HB3 H 1.883 0.02 2 203 44 21 LYS HG2 H 1.533 0.02 2 204 44 21 LYS HG3 H 1.533 0.02 2 205 44 21 LYS HD2 H 1.685 0.02 2 206 44 21 LYS HD3 H 1.685 0.02 2 207 44 21 LYS C C 174.903 0.2 1 208 44 21 LYS CA C 54.765 0.2 1 209 44 21 LYS CB C 28.883 0.2 1 210 44 21 LYS N N 119.081 0.2 1 211 45 22 GLY H H 8.416 0.02 1 212 45 22 GLY HA2 H 3.985 0.02 2 213 45 22 GLY HA3 H 3.898 0.02 2 214 45 22 GLY C C 172.596 0.2 1 215 45 22 GLY CA C 42.389 0.2 1 216 45 22 GLY N N 108.400 0.2 1 217 46 23 ASP H H 8.345 0.02 1 218 46 23 ASP HA H 4.610 0.02 1 219 46 23 ASP HB2 H 2.866 0.02 2 220 46 23 ASP HB3 H 2.696 0.02 2 221 46 23 ASP C C 174.568 0.2 1 222 46 23 ASP CA C 51.540 0.2 1 223 46 23 ASP CB C 36.249 0.2 1 224 46 23 ASP N N 120.595 0.2 1 225 47 24 GLY H H 8.587 0.02 1 226 47 24 GLY HA2 H 3.825 0.02 2 227 47 24 GLY HA3 H 3.825 0.02 2 228 47 24 GLY C C 172.152 0.2 1 229 47 24 GLY CA C 43.502 0.2 1 230 47 24 GLY N N 108.925 0.2 1 231 48 25 VAL H H 7.979 0.02 1 232 48 25 VAL HA H 3.764 0.02 1 233 48 25 VAL HB H 2.115 0.02 1 234 48 25 VAL HG1 H 1.047 0.02 1 235 48 25 VAL HG2 H 0.947 0.02 1 236 48 25 VAL C C 174.894 0.2 1 237 48 25 VAL CA C 61.430 0.2 1 238 48 25 VAL CB C 28.106 0.2 1 239 48 25 VAL N N 119.548 0.2 1 240 49 26 LYS H H 7.862 0.02 1 241 49 26 LYS HA H 4.059 0.02 1 242 49 26 LYS HB2 H 1.718 0.02 2 243 49 26 LYS HB3 H 1.718 0.02 2 244 49 26 LYS HG2 H 1.424 0.02 2 245 49 26 LYS HG3 H 1.424 0.02 2 246 49 26 LYS HD2 H 1.672 0.02 2 247 49 26 LYS HD3 H 1.672 0.02 2 248 49 26 LYS C C 175.545 0.2 1 249 49 26 LYS CA C 54.765 0.2 1 250 49 26 LYS CB C 28.675 0.2 1 251 49 26 LYS N N 120.856 0.2 1 252 50 27 TYR H H 8.006 0.02 1 253 50 27 TYR HA H 4.376 0.02 1 254 50 27 TYR HB2 H 3.053 0.02 2 255 50 27 TYR HB3 H 2.926 0.02 2 256 50 27 TYR HD1 H 7.056 0.02 3 257 50 27 TYR HD2 H 7.056 0.02 3 258 50 27 TYR HE1 H 6.791 0.02 3 259 50 27 TYR HE2 H 6.791 0.02 3 260 50 27 TYR C C 174.292 0.2 1 261 50 27 TYR CA C 56.534 0.2 1 262 50 27 TYR CB C 34.319 0.2 1 263 50 27 TYR N N 117.994 0.2 1 264 51 28 LYS H H 8.119 0.02 1 265 51 28 LYS HA H 3.932 0.02 1 266 51 28 LYS HB2 H 1.950 0.02 2 267 51 28 LYS HB3 H 1.894 0.02 2 268 51 28 LYS HG2 H 1.438 0.02 2 269 51 28 LYS HG3 H 1.438 0.02 2 270 51 28 LYS HD2 H 1.674 0.02 2 271 51 28 LYS HD3 H 1.674 0.02 2 272 51 28 LYS C C 174.680 0.2 1 273 51 28 LYS CA C 55.577 0.2 1 274 51 28 LYS CB C 28.509 0.2 1 275 51 28 LYS N N 120.354 0.2 1 276 52 29 ALA H H 7.968 0.02 1 277 52 29 ALA HA H 4.072 0.02 1 278 52 29 ALA HB H 1.435 0.02 1 279 52 29 ALA C C 176.530 0.2 1 280 52 29 ALA CA C 50.718 0.2 1 281 52 29 ALA CB C 14.812 0.2 1 282 52 29 ALA N N 120.186 0.2 1 283 53 30 LYS H H 7.712 0.02 1 284 53 30 LYS HA H 4.126 0.02 1 285 53 30 LYS HB2 H 1.960 0.02 2 286 53 30 LYS HB3 H 1.892 0.02 2 287 53 30 LYS HG2 H 1.528 0.02 2 288 53 30 LYS HG3 H 1.528 0.02 2 289 53 30 LYS HE2 H 2.946 0.02 2 290 53 30 LYS HE3 H 2.946 0.02 2 291 53 30 LYS C C 174.833 0.2 1 292 53 30 LYS CA C 53.962 0.2 1 293 53 30 LYS CB C 28.773 0.2 1 294 53 30 LYS N N 116.894 0.2 1 295 54 31 LEU H H 7.826 0.02 1 296 54 31 LEU HA H 4.181 0.02 1 297 54 31 LEU HB2 H 1.790 0.02 2 298 54 31 LEU HB3 H 1.790 0.02 2 299 54 31 LEU HG H 1.550 0.02 1 300 54 31 LEU HD1 H 0.883 0.02 2 301 54 31 LEU HD2 H 0.883 0.02 2 302 54 31 LEU C C 174.274 0.2 1 303 54 31 LEU CA C 52.844 0.2 1 304 54 31 LEU CB C 38.948 0.2 1 305 54 31 LEU N N 118.047 0.2 1 306 55 32 ILE H H 7.663 0.02 1 307 55 32 ILE HA H 4.190 0.02 1 308 55 32 ILE HB H 1.984 0.02 1 309 55 32 ILE HG12 H 1.504 0.02 2 310 55 32 ILE HG13 H 1.275 0.02 2 311 55 32 ILE HG2 H 0.905 0.02 1 312 55 32 ILE HD1 H 0.866 0.02 1 313 55 32 ILE C C 173.572 0.2 1 314 55 32 ILE CA C 57.711 0.2 1 315 55 32 ILE CB C 34.774 0.2 1 316 55 32 ILE N N 113.992 0.2 1 317 56 33 GLY H H 8.008 0.02 1 318 56 33 GLY HA2 H 4.122 0.02 2 319 56 33 GLY HA3 H 3.913 0.02 2 320 56 33 GLY C C 171.340 0.2 1 321 56 33 GLY CA C 41.754 0.2 1 322 56 33 GLY N N 109.333 0.2 1 323 57 34 ILE H H 7.762 0.02 1 324 57 34 ILE HA H 4.199 0.02 1 325 57 34 ILE HB H 1.882 0.02 1 326 57 34 ILE HG12 H 1.457 0.02 2 327 57 34 ILE HG13 H 1.140 0.02 2 328 57 34 ILE HG2 H 0.885 0.02 1 329 57 34 ILE C C 171.858 0.2 1 330 57 34 ILE CA C 57.508 0.2 1 331 57 34 ILE CB C 35.215 0.2 1 332 57 34 ILE N N 117.833 0.2 1 333 58 35 ASP H H 7.882 0.02 1 334 58 35 ASP HA H 4.423 0.02 1 335 58 35 ASP HB2 H 2.721 0.02 2 336 58 35 ASP HB3 H 2.591 0.02 2 337 58 35 ASP C C 176.607 0.2 1 338 58 35 ASP CA C 50.638 0.2 1 339 58 35 ASP CB C 36.952 0.2 1 340 58 35 ASP N N 125.807 0.2 1 stop_ save_