data_7140 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Csk SH2 domain, free form ; _BMRB_accession_number 7140 _BMRB_flat_file_name bmr7140.str _Entry_type original _Submission_date 2006-06-02 _Accession_date 2006-06-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Human Csk SH2 domain contain 73-178' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Dongsheng . . 2 Cowburn David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 92 "13C chemical shifts" 179 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7141 'Csk with Cbp' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Domain interactions in protein tyrosine kinase Csk identified by segmental labeling NMR methods' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cowburn David . . 2 Liu Dongsheng . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SH2 domain of human Csk' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH2 domain of human Csk' $SH2_domain_of_Human_Csk stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'signal transduction' 'cell comunication' stop_ _Database_query_date . _Details 'SH2 domain of human Csk' save_ ######################## # Monomeric polymers # ######################## save_SH2_domain_of_Human_Csk _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SH2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; AGTKLSLMPWFHGKITREQA ERLLYPPETGLFLVRESTNY PGDYTLCVSCDGKVEHYRIM YHASKLSIDEEVYFENLMQL VEHYTSDADGLCTRLIKPKV MEGTVA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 73 ALA 2 74 GLY 3 75 THR 4 76 LYS 5 77 LEU 6 78 SER 7 79 LEU 8 80 MET 9 81 PRO 10 82 TRP 11 83 PHE 12 84 HIS 13 85 GLY 14 86 LYS 15 87 ILE 16 88 THR 17 89 ARG 18 90 GLU 19 91 GLN 20 92 ALA 21 93 GLU 22 94 ARG 23 95 LEU 24 96 LEU 25 97 TYR 26 98 PRO 27 99 PRO 28 100 GLU 29 101 THR 30 102 GLY 31 103 LEU 32 104 PHE 33 105 LEU 34 106 VAL 35 107 ARG 36 108 GLU 37 109 SER 38 110 THR 39 111 ASN 40 112 TYR 41 113 PRO 42 114 GLY 43 115 ASP 44 116 TYR 45 117 THR 46 118 LEU 47 119 CYS 48 120 VAL 49 121 SER 50 122 CYS 51 123 ASP 52 124 GLY 53 125 LYS 54 126 VAL 55 127 GLU 56 128 HIS 57 129 TYR 58 130 ARG 59 131 ILE 60 132 MET 61 133 TYR 62 134 HIS 63 135 ALA 64 136 SER 65 137 LYS 66 138 LEU 67 139 SER 68 140 ILE 69 141 ASP 70 142 GLU 71 143 GLU 72 144 VAL 73 145 TYR 74 146 PHE 75 147 GLU 76 148 ASN 77 149 LEU 78 150 MET 79 151 GLN 80 152 LEU 81 153 VAL 82 154 GLU 83 155 HIS 84 156 TYR 85 157 THR 86 158 SER 87 159 ASP 88 160 ALA 89 161 ASP 90 162 GLY 91 163 LEU 92 164 CYS 93 165 THR 94 166 ARG 95 167 LEU 96 168 ILE 97 169 LYS 98 170 PRO 99 171 LYS 100 172 VAL 101 173 MET 102 174 GLU 103 175 GLY 104 176 THR 105 177 VAL 106 178 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 7141 SH2 100.00 106 100.00 100.00 1.17e-72 PDB 1K9A "Crystal Structure Analysis Of Full-Length Carboxyl-Terminal Src Kinase At 2.5 A Resolution" 100.00 450 98.11 100.00 6.79e-68 PDB 3EAC "Crystal Structure Of Sh2 Domain Of Human Csk (carboxyl-terminal Src Kinase), Oxidized Form" 100.00 106 100.00 100.00 1.17e-72 PDB 3EAZ "Crystal Structure Of Sh2 Domain Of Human Csk (Carboxyl- Terminal Src Kinase), C122s Mutant" 100.00 106 99.06 99.06 1.16e-71 DBJ BAD97346 "c-src tyrosine kinase variant [Homo sapiens]" 100.00 449 100.00 100.00 4.78e-69 DBJ BAE23297 "unnamed protein product [Mus musculus]" 100.00 450 98.11 100.00 6.04e-68 DBJ BAE33565 "unnamed protein product [Mus musculus]" 100.00 450 98.11 100.00 6.51e-68 DBJ BAE42047 "unnamed protein product [Mus musculus]" 100.00 450 98.11 100.00 6.51e-68 DBJ BAF83220 "unnamed protein product [Homo sapiens]" 100.00 450 99.06 99.06 1.88e-68 EMBL CAA41484 "protein-tyrosine kinase (CSK) [Rattus sp.]" 100.00 450 98.11 100.00 6.79e-68 EMBL CAA42556 "c-src-kinase [Homo sapiens]" 100.00 450 100.00 100.00 4.59e-69 EMBL CAA42713 "put. cytoplasmic tyrosine kinase [Homo sapiens]" 100.00 450 100.00 100.00 4.59e-69 EMBL CAB58562 "protein tyrosine kinase [Homo sapiens]" 100.00 450 100.00 100.00 4.59e-69 EMBL CAG46758 "CSK [Homo sapiens]" 100.00 450 100.00 100.00 4.59e-69 GB AAA18766 "Csk [Mus musculus]" 100.00 450 98.11 100.00 3.94e-68 GB AAH18394 "C-src tyrosine kinase [Mus musculus]" 100.00 450 98.11 100.00 6.51e-68 GB AAH52006 "C-src tyrosine kinase [Mus musculus]" 100.00 450 98.11 100.00 6.51e-68 GB AAH98863 "C-src tyrosine kinase [Rattus norvegicus]" 100.00 450 98.11 100.00 6.79e-68 GB AAI04848 "C-src tyrosine kinase [Homo sapiens]" 100.00 450 100.00 100.00 4.59e-69 PRF 1709363A "protein Tyr kinase CSK" 100.00 450 98.11 100.00 6.79e-68 REF NP_001025210 "tyrosine-protein kinase CSK [Rattus norvegicus]" 100.00 450 98.11 100.00 6.79e-68 REF NP_001068865 "tyrosine-protein kinase CSK [Bos taurus]" 100.00 450 99.06 99.06 7.56e-68 REF NP_001120662 "tyrosine-protein kinase CSK [Homo sapiens]" 100.00 450 100.00 100.00 4.59e-69 REF NP_001177102 "c-src tyrosine kinase [Sus scrofa]" 100.00 450 98.11 99.06 2.45e-67 REF NP_001248565 "tyrosine-protein kinase CSK [Macaca mulatta]" 100.00 450 100.00 100.00 4.30e-69 SP P32577 "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase [Rattus norvegicus]" 100.00 450 98.11 100.00 6.79e-68 SP P41240 "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase; AltName: Full=Protein-tyrosine kinase CYL [Homo sapiens]" 100.00 450 100.00 100.00 4.59e-69 SP P41241 "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase; AltName: Full=Protein-tyrosine kinase MPK-2; AltName: Fu" 100.00 450 98.11 100.00 6.51e-68 SP Q0VBZ0 "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase [Bos taurus]" 100.00 450 99.06 99.06 7.56e-68 TPG DAA17512 "TPA: tyrosine-protein kinase CSK [Bos taurus]" 100.00 450 99.06 99.06 7.56e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SH2_domain_of_Human_Csk 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 $SH2_domain_of_Human_Csk 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $SH2_domain_of_Human_Csk 0.8 mM 0.1 1.5 '[U-95% 13C; U-90% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_(example)_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC_(example) _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 pH temperature 298 0.1 K pressure 1 0.01 atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'SH2 domain of human Csk' _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 77 5 LEU CA C 56.817 0.2 1 2 77 5 LEU CB C 41.786 0.2 1 3 78 6 SER H H 7.940 0.02 1 4 78 6 SER CA C 59.537 0.2 1 5 78 6 SER CB C 63.151 0.2 1 6 78 6 SER N N 112.623 0.1 1 7 79 7 LEU H H 7.674 0.02 1 8 79 7 LEU CA C 54.904 0.2 1 9 79 7 LEU CB C 42.300 0.2 1 10 79 7 LEU N N 121.142 0.1 1 11 80 8 MET H H 7.810 0.02 1 12 80 8 MET CA C 51.584 0.2 1 13 80 8 MET N N 118.326 0.1 1 14 81 9 PRO CA C 64.837 0.2 1 15 81 9 PRO CB C 32.101 0.2 1 16 82 10 TRP H H 5.721 0.02 1 17 82 10 TRP CA C 52.915 0.2 1 18 82 10 TRP CB C 30.498 0.2 1 19 82 10 TRP N N 107.491 0.1 1 20 83 11 PHE H H 7.758 0.02 1 21 83 11 PHE CA C 58.023 0.2 1 22 83 11 PHE CB C 39.134 0.2 1 23 83 11 PHE N N 124.153 0.1 1 24 84 12 HIS H H 8.664 0.02 1 25 84 12 HIS CA C 56.740 0.2 1 26 84 12 HIS CB C 33.356 0.2 1 27 84 12 HIS N N 126.130 0.1 1 28 85 13 GLY H H 5.187 0.02 1 29 85 13 GLY CA C 46.667 0.2 1 30 85 13 GLY N N 102.990 0.1 1 31 86 14 LYS H H 8.539 0.02 1 32 86 14 LYS CA C 56.170 0.2 1 33 86 14 LYS CB C 31.139 0.2 1 34 86 14 LYS N N 125.391 0.1 1 35 87 15 ILE H H 7.690 0.02 1 36 87 15 ILE CA C 59.671 0.2 1 37 87 15 ILE CB C 41.489 0.2 1 38 87 15 ILE N N 118.767 0.1 1 39 88 16 THR H H 8.843 0.02 1 40 88 16 THR CA C 61.186 0.2 1 41 88 16 THR CB C 71.860 0.2 1 42 88 16 THR N N 113.540 0.1 1 43 89 17 ARG H H 8.914 0.02 1 44 89 17 ARG CA C 60.337 0.2 1 45 89 17 ARG CB C 30.146 0.2 1 46 89 17 ARG N N 121.604 0.1 1 47 90 18 GLU H H 8.742 0.02 1 48 90 18 GLU CA C 60.452 0.2 1 49 90 18 GLU CB C 28.998 0.2 1 50 90 18 GLU N N 117.210 0.1 1 51 91 19 GLN H H 7.966 0.02 1 52 91 19 GLN CA C 58.874 0.2 1 53 91 19 GLN CB C 28.889 0.2 1 54 91 19 GLN N N 119.984 0.1 1 55 92 20 ALA H H 8.283 0.02 1 56 92 20 ALA CA C 55.357 0.2 1 57 92 20 ALA CB C 19.441 0.2 1 58 92 20 ALA N N 121.168 0.1 1 59 93 21 GLU H H 8.032 0.02 1 60 93 21 GLU CA C 60.629 0.2 1 61 93 21 GLU CB C 28.485 0.2 1 62 93 21 GLU N N 113.823 0.1 1 63 94 22 ARG H H 7.555 0.02 1 64 94 22 ARG CA C 58.449 0.2 1 65 94 22 ARG CB C 30.056 0.2 1 66 94 22 ARG N N 117.594 0.1 1 67 95 23 LEU H H 7.633 0.02 1 68 95 23 LEU CA C 56.832 0.2 1 69 95 23 LEU CB C 43.078 0.2 1 70 95 23 LEU N N 118.634 0.1 1 71 96 24 LEU H H 7.103 0.02 1 72 96 24 LEU CA C 52.696 0.2 1 73 96 24 LEU CB C 39.775 0.2 1 74 96 24 LEU N N 120.454 0.1 1 75 97 25 TYR H H 7.334 0.02 1 76 97 25 TYR CA C 56.171 0.2 1 77 97 25 TYR CB C 42.152 0.2 1 78 97 25 TYR N N 120.134 0.1 1 79 99 27 PRO CA C 63.657 0.2 1 80 99 27 PRO CB C 31.945 0.2 1 81 100 28 GLU H H 7.210 0.02 1 82 100 28 GLU CA C 56.002 0.2 1 83 100 28 GLU CB C 32.219 0.2 1 84 100 28 GLU N N 122.645 0.1 1 85 101 29 THR H H 8.715 0.02 1 86 101 29 THR CA C 65.533 0.2 1 87 101 29 THR CB C 68.940 0.2 1 88 101 29 THR N N 124.095 0.1 1 89 102 30 GLY H H 9.294 0.02 1 90 102 30 GLY CA C 45.743 0.2 1 91 102 30 GLY N N 114.119 0.1 1 92 103 31 LEU H H 8.130 0.02 1 93 103 31 LEU CA C 54.881 0.2 1 94 103 31 LEU CB C 44.608 0.2 1 95 103 31 LEU N N 126.978 0.1 1 96 104 32 PHE H H 8.333 0.02 1 97 104 32 PHE CA C 56.060 0.2 1 98 104 32 PHE N N 122.656 0.1 1 99 105 33 LEU H H 9.168 0.02 1 100 105 33 LEU CA C 54.724 0.2 1 101 105 33 LEU CB C 45.054 0.2 1 102 105 33 LEU N N 113.722 0.1 1 103 106 34 VAL H H 9.412 0.02 1 104 106 34 VAL CA C 61.471 0.2 1 105 106 34 VAL CB C 35.252 0.2 1 106 106 34 VAL N N 119.632 0.1 1 107 107 35 ARG H H 9.204 0.02 1 108 107 35 ARG CA C 52.583 0.2 1 109 107 35 ARG CB C 34.736 0.2 1 110 107 35 ARG N N 123.246 0.1 1 111 108 36 GLU H H 8.634 0.02 1 112 108 36 GLU CA C 54.685 0.2 1 113 108 36 GLU CB C 33.260 0.2 1 114 108 36 GLU N N 123.623 0.1 1 115 109 37 SER H H 8.200 0.02 1 116 109 37 SER CA C 58.426 0.2 1 117 109 37 SER CB C 63.935 0.2 1 118 109 37 SER N N 116.926 0.1 1 119 113 41 PRO CA C 63.633 0.2 1 120 113 41 PRO CB C 31.683 0.2 1 121 114 42 GLY H H 9.853 0.02 1 122 114 42 GLY CA C 44.890 0.2 1 123 114 42 GLY N N 113.485 0.1 1 124 115 43 ASP H H 7.493 0.02 1 125 115 43 ASP CA C 52.960 0.2 1 126 115 43 ASP CB C 41.536 0.2 1 127 115 43 ASP N N 119.388 0.1 1 128 116 44 TYR H H 9.221 0.02 1 129 116 44 TYR CA C 56.683 0.2 1 130 116 44 TYR CB C 42.186 0.2 1 131 116 44 TYR N N 124.929 0.1 1 132 117 45 THR H H 9.178 0.02 1 133 117 45 THR CA C 62.626 0.2 1 134 117 45 THR CB C 72.536 0.2 1 135 117 45 THR N N 116.414 0.1 1 136 118 46 LEU H H 9.246 0.02 1 137 118 46 LEU CA C 54.122 0.2 1 138 118 46 LEU CB C 44.316 0.2 1 139 118 46 LEU N N 128.928 0.1 1 140 119 47 CYS H H 9.313 0.02 1 141 119 47 CYS CA C 57.064 0.2 1 142 119 47 CYS N N 128.242 0.1 1 143 120 48 VAL H H 8.890 0.02 1 144 120 48 VAL CA C 59.354 0.2 1 145 120 48 VAL CB C 36.068 0.2 1 146 120 48 VAL N N 121.567 0.1 1 147 121 49 SER H H 8.933 0.02 1 148 121 49 SER CA C 57.349 0.2 1 149 121 49 SER N N 121.308 0.1 1 150 122 50 CYS H H 9.421 0.02 1 151 122 50 CYS CA C 60.800 0.2 1 152 122 50 CYS CB C 29.218 0.2 1 153 122 50 CYS N N 129.256 0.1 1 154 123 51 ASP H H 8.965 0.02 1 155 123 51 ASP CA C 55.962 0.2 1 156 123 51 ASP CB C 39.969 0.2 1 157 123 51 ASP N N 129.908 0.1 1 158 124 52 GLY H H 9.126 0.02 1 159 124 52 GLY CA C 45.497 0.2 1 160 124 52 GLY N N 103.971 0.1 1 161 125 53 LYS H H 7.873 0.02 1 162 125 53 LYS CA C 54.294 0.2 1 163 125 53 LYS CB C 35.248 0.2 1 164 125 53 LYS N N 120.817 0.1 1 165 126 54 VAL H H 8.319 0.02 1 166 126 54 VAL CA C 62.072 0.2 1 167 126 54 VAL CB C 33.009 0.2 1 168 126 54 VAL N N 120.152 0.1 1 169 127 55 GLU H H 8.992 0.02 1 170 127 55 GLU CA C 54.104 0.2 1 171 127 55 GLU CB C 31.405 0.2 1 172 127 55 GLU N N 127.996 0.1 1 173 128 56 HIS H H 8.292 0.02 1 174 128 56 HIS CA C 55.055 0.2 1 175 128 56 HIS CB C 33.059 0.2 1 176 128 56 HIS N N 122.091 0.1 1 177 129 57 TYR H H 9.700 0.02 1 178 129 57 TYR CA C 57.123 0.2 1 179 129 57 TYR CB C 39.719 0.2 1 180 129 57 TYR N N 123.995 0.1 1 181 130 58 ARG H H 8.841 0.02 1 182 130 58 ARG CA C 57.373 0.2 1 183 130 58 ARG CB C 30.705 0.2 1 184 130 58 ARG N N 126.974 0.1 1 185 131 59 ILE H H 8.662 0.02 1 186 131 59 ILE CA C 61.261 0.2 1 187 131 59 ILE CB C 37.518 0.2 1 188 131 59 ILE N N 127.070 0.1 1 189 132 60 MET H H 9.082 0.02 1 190 132 60 MET CA C 54.708 0.2 1 191 132 60 MET CB C 33.988 0.2 1 192 132 60 MET N N 128.339 0.1 1 193 133 61 TYR H H 8.668 0.02 1 194 133 61 TYR CA C 56.657 0.2 1 195 133 61 TYR CB C 40.694 0.2 1 196 133 61 TYR N N 120.834 0.1 1 197 134 62 HIS H H 8.963 0.02 1 198 134 62 HIS CA C 56.618 0.2 1 199 134 62 HIS CB C 31.981 0.2 1 200 134 62 HIS N N 123.966 0.1 1 201 135 63 ALA CA C 53.446 0.2 1 202 135 63 ALA CB C 16.506 0.2 1 203 136 64 SER H H 8.071 0.02 1 204 136 64 SER CA C 60.531 0.2 1 205 136 64 SER CB C 62.932 0.2 1 206 136 64 SER N N 108.167 0.1 1 207 137 65 LYS H H 8.029 0.02 1 208 137 65 LYS CA C 55.299 0.2 1 209 137 65 LYS CB C 36.555 0.2 1 210 137 65 LYS N N 121.355 0.1 1 211 138 66 LEU H H 9.035 0.02 1 212 138 66 LEU CA C 54.055 0.2 1 213 138 66 LEU CB C 45.976 0.2 1 214 138 66 LEU N N 118.932 0.1 1 215 139 67 SER H H 8.808 0.02 1 216 139 67 SER CA C 58.596 0.2 1 217 139 67 SER N N 112.296 0.1 1 218 140 68 ILE H H 9.810 0.02 1 219 140 68 ILE CA C 62.867 0.2 1 220 140 68 ILE CB C 39.781 0.2 1 221 140 68 ILE N N 124.245 0.1 1 222 141 69 ASP H H 8.175 0.02 1 223 141 69 ASP CA C 53.459 0.2 1 224 141 69 ASP CB C 42.099 0.2 1 225 141 69 ASP N N 118.961 0.1 1 226 142 70 GLU H H 8.485 0.02 1 227 142 70 GLU CA C 59.027 0.2 1 228 142 70 GLU CB C 27.834 0.2 1 229 142 70 GLU N N 114.101 0.1 1 230 143 71 GLU H H 8.444 0.02 1 231 143 71 GLU CA C 57.514 0.2 1 232 143 71 GLU CB C 32.003 0.2 1 233 143 71 GLU N N 118.591 0.1 1 234 144 72 VAL H H 9.306 0.02 1 235 144 72 VAL CA C 61.489 0.2 1 236 144 72 VAL CB C 32.821 0.2 1 237 144 72 VAL N N 122.945 0.1 1 238 145 73 TYR H H 8.323 0.02 1 239 145 73 TYR CA C 56.295 0.2 1 240 145 73 TYR N N 127.173 0.1 1 241 146 74 PHE H H 9.403 0.02 1 242 146 74 PHE CA C 56.413 0.2 1 243 146 74 PHE CB C 43.985 0.2 1 244 146 74 PHE N N 117.109 0.1 1 245 147 75 GLU H H 8.989 0.02 1 246 147 75 GLU CA C 58.260 0.2 1 247 147 75 GLU CB C 31.113 0.2 1 248 147 75 GLU N N 118.666 0.1 1 249 148 76 ASN H H 7.525 0.02 1 250 148 76 ASN CA C 52.266 0.2 1 251 148 76 ASN CB C 40.451 0.2 1 252 148 76 ASN N N 107.894 0.1 1 253 149 77 LEU H H 9.085 0.02 1 254 149 77 LEU CA C 57.335 0.2 1 255 149 77 LEU CB C 43.702 0.2 1 256 149 77 LEU N N 118.456 0.1 1 257 150 78 MET H H 8.266 0.02 1 258 150 78 MET CA C 60.646 0.2 1 259 150 78 MET CB C 31.104 0.2 1 260 150 78 MET N N 118.655 0.1 1 261 151 79 GLN H H 8.373 0.02 1 262 151 79 GLN CA C 58.464 0.2 1 263 151 79 GLN CB C 29.728 0.2 1 264 151 79 GLN N N 118.759 0.1 1 265 152 80 LEU H H 6.876 0.02 1 266 152 80 LEU CA C 58.861 0.2 1 267 152 80 LEU N N 121.954 0.1 1 268 153 81 VAL H H 7.947 0.02 1 269 153 81 VAL CA C 66.983 0.2 1 270 153 81 VAL CB C 31.468 0.2 1 271 153 81 VAL N N 119.476 0.1 1 272 154 82 GLU H H 8.184 0.02 1 273 154 82 GLU CA C 59.925 0.2 1 274 154 82 GLU CB C 29.505 0.2 1 275 154 82 GLU N N 120.318 0.1 1 276 155 83 HIS H H 7.801 0.02 1 277 155 83 HIS CA C 60.600 0.2 1 278 155 83 HIS N N 119.753 0.1 1 279 156 84 TYR H H 7.366 0.02 1 280 156 84 TYR CA C 60.375 0.2 1 281 156 84 TYR CB C 37.705 0.2 1 282 156 84 TYR N N 115.520 0.1 1 283 157 85 THR H H 7.542 0.02 1 284 157 85 THR CA C 64.335 0.2 1 285 157 85 THR CB C 69.409 0.2 1 286 157 85 THR N N 115.088 0.1 1 287 158 86 SER H H 7.181 0.02 1 288 158 86 SER CA C 60.237 0.2 1 289 158 86 SER N N 116.659 0.1 1 290 159 87 ASP H H 7.523 0.02 1 291 159 87 ASP CA C 53.813 0.2 1 292 159 87 ASP CB C 44.495 0.2 1 293 159 87 ASP N N 119.626 0.1 1 294 160 88 ALA H H 8.218 0.02 1 295 160 88 ALA CA C 54.963 0.2 1 296 160 88 ALA CB C 18.812 0.2 1 297 160 88 ALA N N 124.036 0.1 1 298 161 89 ASP H H 8.120 0.02 1 299 161 89 ASP CA C 54.721 0.2 1 300 161 89 ASP CB C 40.926 0.2 1 301 161 89 ASP N N 112.472 0.1 1 302 162 90 GLY H H 8.236 0.02 1 303 162 90 GLY CA C 45.114 0.2 1 304 162 90 GLY N N 105.492 0.1 1 305 163 91 LEU H H 8.321 0.02 1 306 163 91 LEU CA C 54.315 0.2 1 307 163 91 LEU CB C 42.248 0.2 1 308 163 91 LEU N N 120.416 0.1 1 309 164 92 CYS H H 7.571 0.02 1 310 164 92 CYS CA C 58.606 0.2 1 311 164 92 CYS N N 115.142 0.1 1 312 165 93 THR H H 7.171 0.02 1 313 165 93 THR CA C 59.653 0.2 1 314 165 93 THR CB C 68.954 0.2 1 315 165 93 THR N N 114.771 0.1 1 316 166 94 ARG H H 7.510 0.02 1 317 166 94 ARG CA C 56.410 0.2 1 318 166 94 ARG CB C 30.920 0.2 1 319 166 94 ARG N N 121.703 0.1 1 320 167 95 LEU H H 7.930 0.02 1 321 167 95 LEU CA C 54.516 0.2 1 322 167 95 LEU CB C 38.260 0.2 1 323 167 95 LEU N N 121.837 0.1 1 324 168 96 ILE H H 8.519 0.02 1 325 168 96 ILE CA C 62.790 0.2 1 326 168 96 ILE CB C 39.805 0.2 1 327 168 96 ILE N N 121.749 0.1 1 328 169 97 LYS H H 7.803 0.02 1 329 169 97 LYS CA C 52.712 0.2 1 330 169 97 LYS CB C 35.832 0.2 1 331 169 97 LYS N N 120.482 0.1 1 332 170 98 PRO CA C 61.435 0.2 1 333 170 98 PRO CB C 32.550 0.2 1 334 171 99 LYS H H 8.758 0.02 1 335 171 99 LYS CA C 53.856 0.2 1 336 171 99 LYS CB C 30.915 0.2 1 337 171 99 LYS N N 124.857 0.1 1 338 172 100 VAL H H 8.159 0.02 1 339 172 100 VAL CA C 62.416 0.2 1 340 172 100 VAL CB C 32.564 0.2 1 341 172 100 VAL N N 126.831 0.1 1 342 173 101 MET H H 8.389 0.02 1 343 173 101 MET CA C 56.378 0.2 1 344 173 101 MET CB C 32.183 0.2 1 345 173 101 MET N N 125.689 0.1 1 346 174 102 GLU H H 8.542 0.02 1 347 174 102 GLU CA C 56.461 0.2 1 348 174 102 GLU CB C 30.638 0.2 1 349 174 102 GLU N N 125.400 0.1 1 350 175 103 GLY H H 8.387 0.02 1 351 175 103 GLY CA C 45.030 0.2 1 352 175 103 GLY N N 110.603 0.1 1 353 176 104 THR H H 8.043 0.02 1 354 176 104 THR CA C 62.019 0.2 1 355 176 104 THR CB C 70.299 0.2 1 356 176 104 THR N N 114.439 0.1 1 357 177 105 VAL H H 8.242 0.02 1 358 177 105 VAL CA C 62.337 0.2 1 359 177 105 VAL CB C 32.922 0.2 1 360 177 105 VAL N N 123.338 0.1 1 361 178 106 ALA H H 7.999 0.02 1 362 178 106 ALA CA C 53.815 0.2 1 363 178 106 ALA N N 133.822 0.1 1 stop_ save_