data_5203 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shift assignments for cysteine-rich domain of KSR ; _BMRB_accession_number 5203 _BMRB_flat_file_name bmr5203.str _Entry_type original _Submission_date 2001-11-06 _Accession_date 2001-11-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhou Ming . . 2 Horita David A. . 3 Waugh David S. . 4 Byrd R. A. . 5 Morrison Deborah K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 232 "13C chemical shifts" 138 "15N chemical shifts" 44 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-05-07 original author . stop_ _Original_release_date 2002-05-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure and Functional Analysis of the Cysteine-rich C1 Domain of Kinase Suppressor of Ras (KSR) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21646529 _PubMed_ID 11786023 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhou Ming . . 2 Horita David A. . 3 Waugh David S. . 4 Byrd R. A. . 5 Morrison Deborah K. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 315 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 435 _Page_last 446 _Year 2002 _Details . loop_ _Keyword 'kinase suppressor of Ras' KSR 'cysteine-rich domain' 'zinc-binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_KSR _Saveframe_category molecular_system _Mol_system_name 'cysteine-rich domain of KSR' _Abbreviation_common KSR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cysteine-rich C1 domain of KSR' $KSR 'Zinc(II) ion, I' $ZN 'Zinc(II) ion, II' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'other bound or free' loop_ _Biological_function 'facilitate the KSR protein scaffold function' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KSR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Kinase suppressor of Ras' _Abbreviation_common KSR _Molecular_mass . _Mol_thiol_state 'other bound or free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 49 _Mol_residue_sequence ; GSVTHRFSTKSWLSQVCNVC QKSMIFGVKCKHCRLKCHNK CTKEAPACR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 330 GLY 2 331 SER 3 332 VAL 4 333 THR 5 334 HIS 6 335 ARG 7 336 PHE 8 337 SER 9 338 THR 10 339 LYS 11 340 SER 12 341 TRP 13 342 LEU 14 343 SER 15 344 GLN 16 345 VAL 17 346 CYS 18 347 ASN 19 348 VAL 20 349 CYS 21 350 GLN 22 351 LYS 23 352 SER 24 353 MET 25 354 ILE 26 355 PHE 27 356 GLY 28 357 VAL 29 358 LYS 30 359 CYS 31 360 LYS 32 361 HIS 33 362 CYS 34 363 ARG 35 364 LEU 36 365 LYS 37 366 CYS 38 367 HIS 39 368 ASN 40 369 LYS 41 370 CYS 42 371 THR 43 372 LYS 44 373 GLU 45 374 ALA 46 375 PRO 47 376 ALA 48 377 CYS 49 378 ARG stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SWISS-PROT Q61097 'Kinase suppressor of Ras 1 (mKSR1) (Protein Hb)' 97.96 873 100.00 100.00 7.87e-24 REF NP_038599 'kinase suppressor of ras [Mus musculus]' 97.96 873 100.00 100.00 7.87e-24 GenBank EDL15602 'kinase suppressor of ras 1, isoform CRA_b [Mus musculus]' 53.06 521 100.00 100.00 1.44e-09 GenBank EDL15601 'kinase suppressor of ras 1, isoform CRA_a [Mus musculus]' 97.96 406 100.00 100.00 4.58e-23 GenBank ABK42251 'Ksr1 [synthetic construct]' 97.96 873 100.00 100.00 7.87e-24 GenBank AAI68386 'Kinase suppressor of ras 1 [synthetic construct]' 97.96 873 100.00 100.00 7.87e-24 GenBank AAC52382 'protein kinase related to Raf protein kinases; Method: conceptual translation supplied by author' 97.96 873 100.00 100.00 7.87e-24 EMBL CAI24047 'kinase suppressor of ras 1 [Mus musculus]' 97.96 873 100.00 100.00 7.87e-24 EMBL CAI24046 'kinase suppressor of ras 1 [Mus musculus]' 97.96 637 100.00 100.00 3.09e-23 EMBL CAA57288 'hb [Mus musculus]' 97.96 426 100.00 100.00 8.63e-22 DBJ BAE23398 'unnamed protein product [Mus musculus]' 97.96 782 100.00 100.00 2.41e-23 PDB 1KBF 'Solution Structure Of The Cysteine-Rich C1 Domain Of Kinase Suppressor Of Ras' 97.96 49 100.00 100.00 1.56e-19 PDB 1KBE 'Solution Structure Of The Cysteine-Rich C1 Domain Of Kinase Suppressor Of Ras' 97.96 49 100.00 100.00 1.56e-19 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 14:00:03 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KSR Mouse 10090 Eukaryota Metazoa Mus musculus 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 $KSR '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 _Isotopic_labeling $KSR 1.0 mM '[U-15N; U-13C]' $ZN 2.0 mM . stop_ save_ ############################ # Computer software used # ############################ save_Ansig _Saveframe_category software _Name Ansig _Version 3.3 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label $sample_1 save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label $sample_1 save_ save_3dCN-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3dCN-NOESY _Sample_label $sample_1 save_ save_HCCH_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3dCN-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'cysteine-rich C1 domain of KSR' _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 1 331 2 SER CA C 57.64 0.03 1 2 331 2 SER HA H 4.423 0.008 1 3 331 2 SER CB C 62.71 0.09 1 4 331 2 SER HB2 H 3.786 0.003 1 5 331 2 SER HB3 H 3.786 0.003 1 6 332 3 VAL N N 125.32 0.23 1 7 332 3 VAL H H 8.237 0.005 1 8 332 3 VAL CA C 61.96 0.04 1 9 332 3 VAL HA H 4.261 0.020 1 10 332 3 VAL CB C 32.41 0.21 1 11 332 3 VAL HB H 2.106 0.017 1 12 332 3 VAL CG1 C 21.16 0.05 1 13 332 3 VAL HG1 H 0.914 0.006 1 14 332 3 VAL CG2 C 20.05 0.08 1 15 332 3 VAL HG2 H 0.924 0.007 1 16 333 4 THR N N 116.46 0.13 1 17 333 4 THR H H 8.086 0.003 1 18 333 4 THR CA C 60.03 0.09 1 19 333 4 THR HA H 4.457 0.027 1 20 333 4 THR CB C 70.10 0.07 1 21 333 4 THR HB H 4.232 0.010 1 22 333 4 THR CG2 C 20.96 0.23 1 23 333 4 THR HG2 H 1.314 0.008 1 24 334 5 HIS N N 119.20 0.13 1 25 334 5 HIS H H 7.946 0.015 1 26 334 5 HIS CA C 56.24 0.12 1 27 334 5 HIS HA H 5.066 0.006 1 28 334 5 HIS CB C 30.78 0.24 1 29 334 5 HIS HB2 H 2.160 0.034 2 30 334 5 HIS HB3 H 2.122 0.023 2 31 334 5 HIS HD2 H 7.451 0.000 1 32 335 6 ARG N N 124.36 0.17 1 33 335 6 ARG H H 8.674 0.016 1 34 335 6 ARG CA C 53.56 0.15 1 35 335 6 ARG HA H 4.696 0.010 1 36 335 6 ARG CB C 30.70 0.08 1 37 335 6 ARG HB2 H 1.758 0.025 2 38 335 6 ARG HB3 H 1.680 0.013 2 39 335 6 ARG CD C 42.91 0.00 1 40 335 6 ARG HD2 H 3.245 0.010 2 41 336 7 PHE N N 122.51 0.14 1 42 336 7 PHE H H 8.857 0.018 1 43 336 7 PHE CA C 58.58 0.06 1 44 336 7 PHE HA H 5.118 0.005 1 45 336 7 PHE CB C 40.18 0.10 1 46 336 7 PHE HB2 H 3.045 0.018 2 47 336 7 PHE HB3 H 2.898 0.021 2 48 337 8 SER N N 114.77 0.13 1 49 337 8 SER H H 8.661 0.011 1 50 337 8 SER CA C 56.97 0.10 1 51 337 8 SER HA H 4.990 0.002 1 52 337 8 SER CB C 65.47 0.02 1 53 337 8 SER HB2 H 4.054 0.013 2 54 337 8 SER HB3 H 3.960 0.023 2 55 338 9 THR N N 116.91 0.15 1 56 338 9 THR H H 8.646 0.006 1 57 338 9 THR CA C 62.60 0.17 1 58 338 9 THR HA H 4.668 0.013 1 59 338 9 THR CB C 69.56 0.06 1 60 338 9 THR HB H 4.173 0.007 1 61 338 9 THR CG2 C 22.03 0.10 1 62 338 9 THR HG2 H 1.292 0.009 1 63 339 10 LYS N N 124.27 0.16 1 64 339 10 LYS H H 8.578 0.008 1 65 339 10 LYS CA C 54.26 0.08 1 66 339 10 LYS HA H 4.308 0.007 1 67 339 10 LYS CB C 35.46 0.19 1 68 339 10 LYS HB2 H 0.835 0.015 2 69 339 10 LYS HB3 H 0.671 0.027 2 70 339 10 LYS CG C 24.18 0.25 1 71 339 10 LYS HG2 H 0.842 0.020 2 72 339 10 LYS HG3 H 0.769 0.031 2 73 339 10 LYS CD C 28.14 0.13 1 74 339 10 LYS CE C 41.80 0.03 1 75 339 10 LYS HD2 H 1.532 0.011 1 76 339 10 LYS HE2 H 2.755 0.009 1 77 340 11 SER CA C 56.07 0.10 1 78 340 11 SER HA H 5.139 0.011 1 79 340 11 SER CB C 65.49 0.04 1 80 340 11 SER HB2 H 3.786 0.009 1 81 341 12 TRP N N 119.79 0.10 1 82 341 12 TRP H H 8.783 0.012 1 83 341 12 TRP CA C 57.25 0.02 1 84 341 12 TRP HA H 4.893 0.006 1 85 341 12 TRP CB C 33.99 0.15 1 86 341 12 TRP HB2 H 3.285 0.013 2 87 341 12 TRP HB3 H 2.813 0.015 2 88 342 13 LEU N N 120.44 0.17 1 89 342 13 LEU H H 8.605 0.004 1 90 342 13 LEU CA C 56.91 0.02 1 91 342 13 LEU HA H 4.450 0.016 1 92 342 13 LEU CB C 41.96 0.12 1 93 342 13 LEU HB2 H 1.798 0.016 2 94 342 13 LEU HB3 H 1.698 0.006 2 95 342 13 LEU CD1 C 24.23 0.06 1 96 342 13 LEU HD1 H 1.034 0.007 1 97 342 13 LEU CD2 C 23.51 0.04 1 98 342 13 LEU HD2 H 1.002 0.006 1 99 343 14 SER N N 108.90 0.13 1 100 343 14 SER H H 7.824 0.009 1 101 343 14 SER CA C 57.80 0.09 1 102 343 14 SER HA H 4.605 0.004 1 103 343 14 SER CB C 63.63 0.07 1 104 343 14 SER HB2 H 3.867 0.012 1 105 344 15 GLN N N 120.05 0.10 1 106 344 15 GLN H H 8.341 0.007 1 107 344 15 GLN CA C 53.75 0.03 1 108 344 15 GLN HA H 4.325 0.010 1 109 344 15 GLN CB C 31.67 0.15 1 110 344 15 GLN HB2 H 1.353 0.003 2 111 344 15 GLN HB3 H 1.280 0.022 2 112 344 15 GLN CG C 33.20 0.05 1 113 344 15 GLN HG2 H 1.100 0.019 2 114 344 15 GLN HG3 H 0.858 0.032 2 115 345 16 VAL N N 120.86 0.17 1 116 345 16 VAL H H 8.224 0.006 1 117 345 16 VAL CA C 60.87 0.07 1 118 345 16 VAL HA H 4.115 0.021 1 119 345 16 VAL CB C 33.86 0.15 1 120 345 16 VAL HB H 1.697 0.006 1 121 345 16 VAL HG1 H 0.763 0.014 1 122 345 16 VAL HG2 H 0.706 0.016 1 123 345 16 VAL CG1 C 20.69 0.14 1 124 346 17 CYS N N 126.09 0.11 1 125 346 17 CYS H H 8.291 0.014 1 126 346 17 CYS CA C 59.00 0.15 1 127 346 17 CYS HA H 3.925 0.017 1 128 346 17 CYS CB C 31.68 0.10 1 129 346 17 CYS HB2 H 3.383 0.012 2 130 346 17 CYS HB3 H 2.443 0.015 2 131 347 18 ASN N N 124.87 0.12 1 132 347 18 ASN H H 8.846 0.018 1 133 347 18 ASN CA C 55.23 0.05 1 134 347 18 ASN HA H 4.698 0.026 1 135 347 18 ASN CB C 39.68 0.13 1 136 347 18 ASN HB2 H 3.152 0.014 2 137 347 18 ASN HB3 H 2.797 0.005 2 138 348 19 VAL N N 120.08 0.10 1 139 348 19 VAL H H 9.260 0.014 1 140 348 19 VAL CA C 64.71 0.05 1 141 348 19 VAL HA H 4.140 0.009 1 142 348 19 VAL CB C 33.24 0.15 1 143 348 19 VAL HB H 2.159 0.017 1 144 348 19 VAL CG1 C 21.16 0.06 1 145 348 19 VAL HG1 H 0.997 0.014 1 146 348 19 VAL CG2 C 20.29 0.07 1 147 348 19 VAL HG2 H 1.130 0.018 1 148 349 20 CYS N N 117.51 0.11 1 149 349 20 CYS H H 8.581 0.011 1 150 349 20 CYS CA C 58.73 0.03 1 151 349 20 CYS HA H 5.008 0.003 1 152 349 20 CYS CB C 31.16 0.05 1 153 349 20 CYS HB2 H 3.099 0.006 2 154 349 20 CYS HB3 H 3.384 0.016 2 155 350 21 GLN N N 113.27 0.11 1 156 350 21 GLN H H 7.739 0.013 1 157 350 21 GLN CA C 57.05 0.11 1 158 350 21 GLN HA H 4.230 0.030 1 159 350 21 GLN CB C 24.85 0.11 1 160 350 21 GLN CG C 33.40 0.00 1 161 350 21 GLN HB2 H 2.405 0.018 1 162 350 21 GLN HG2 H 2.195 0.005 1 163 351 22 LYS N N 117.57 0.13 1 164 351 22 LYS H H 8.201 0.012 1 165 351 22 LYS CA C 54.45 0.07 1 166 351 22 LYS HA H 4.878 0.011 1 167 351 22 LYS CB C 34.32 0.08 1 168 351 22 LYS CG C 24.87 0.16 1 169 351 22 LYS HG2 H 1.714 0.013 2 170 351 22 LYS HG3 H 1.579 0.008 2 171 351 22 LYS CE C 41.61 0.00 1 172 351 22 LYS HE2 H 2.943 0.002 2 173 351 22 LYS HE3 H 2.852 0.006 2 174 351 22 LYS HB2 H 2.211 0.007 1 175 351 22 LYS HD2 H 3.140 0.014 1 176 352 23 SER N N 113.86 0.12 1 177 352 23 SER H H 8.582 0.009 1 178 352 23 SER CA C 59.38 0.09 1 179 352 23 SER HA H 4.448 0.011 1 180 352 23 SER CB C 63.40 0.05 1 181 352 23 SER HB2 H 3.969 0.013 1 182 353 24 MET N N 123.77 0.09 1 183 353 24 MET H H 8.556 0.010 1 184 353 24 MET CA C 54.46 0.05 1 185 353 24 MET HA H 4.945 0.021 1 186 353 24 MET CB C 36.60 0.07 1 187 353 24 MET HB2 H 1.382 0.000 2 188 353 24 MET HB3 H 1.337 0.012 2 189 353 24 MET CG C 29.98 0.10 1 190 353 24 MET HG2 H 1.938 0.006 2 191 353 24 MET HG3 H 1.758 0.012 2 192 354 25 ILE N N 118.42 0.09 1 193 354 25 ILE H H 8.706 0.007 1 194 354 25 ILE CA C 61.14 0.08 1 195 354 25 ILE HA H 4.859 0.023 1 196 354 25 ILE CB C 39.18 0.19 1 197 354 25 ILE HB H 2.311 0.006 1 198 354 25 ILE CG1 C 26.30 0.06 1 199 354 25 ILE HG12 H 1.547 0.016 2 200 354 25 ILE HG13 H 1.335 0.007 2 201 354 25 ILE CG2 C 17.58 0.07 1 202 354 25 ILE HG2 H 0.964 0.016 1 203 354 25 ILE CD1 C 13.35 0.06 1 204 354 25 ILE HD1 H 1.033 0.007 1 205 355 26 PHE N N 119.81 0.13 1 206 355 26 PHE H H 7.949 0.010 1 207 355 26 PHE CA C 56.68 0.07 1 208 355 26 PHE HA H 5.463 0.004 1 209 355 26 PHE CB C 41.74 0.09 1 210 355 26 PHE HB2 H 3.283 0.014 2 211 355 26 PHE HB3 H 3.232 0.018 2 212 356 27 GLY N N 112.60 0.12 1 213 356 27 GLY H H 8.357 0.009 1 214 356 27 GLY CA C 45.61 0.06 1 215 356 27 GLY HA2 H 4.440 0.017 2 216 356 27 GLY HA3 H 4.179 0.015 2 217 357 28 VAL N N 113.83 0.14 1 218 357 28 VAL H H 9.212 0.016 1 219 357 28 VAL CA C 57.99 0.17 1 220 357 28 VAL HA H 5.384 0.013 1 221 357 28 VAL CB C 36.53 0.11 1 222 357 28 VAL HB H 1.736 0.017 1 223 357 28 VAL CG1 C 21.77 0.08 1 224 357 28 VAL HG1 H 0.692 0.014 1 225 357 28 VAL CG2 C 19.18 0.08 1 226 357 28 VAL HG2 H 0.004 0.009 1 227 358 29 LYS N N 117.18 0.21 1 228 358 29 LYS H H 8.787 0.016 1 229 358 29 LYS CA C 53.11 0.08 1 230 358 29 LYS HA H 5.957 0.012 1 231 358 29 LYS CB C 37.51 0.13 1 232 358 29 LYS HB2 H 1.879 0.008 2 233 358 29 LYS HB3 H 1.817 0.014 2 234 358 29 LYS CG C 24.85 0.06 1 235 358 29 LYS HG2 H 1.399 0.007 2 236 358 29 LYS HG3 H 1.248 0.011 2 237 358 29 LYS HE2 H 3.036 0.000 1 238 359 30 CYS N N 129.39 0.12 1 239 359 30 CYS H H 9.497 0.009 1 240 359 30 CYS CA C 57.86 0.13 1 241 359 30 CYS HA H 4.772 0.009 1 242 359 30 CYS CB C 30.59 0.10 1 243 359 30 CYS HB2 H 3.351 0.009 1 244 359 30 CYS HB3 H 2.543 0.005 1 245 360 31 LYS N N 128.90 0.13 1 246 360 31 LYS H H 8.809 0.012 1 247 360 31 LYS CA C 58.35 0.07 1 248 360 31 LYS HA H 4.180 0.005 1 249 360 31 LYS CB C 33.23 0.10 1 250 360 31 LYS HB2 H 1.888 0.018 2 251 360 31 LYS HB3 H 1.838 0.018 2 252 360 31 LYS CG C 24.40 0.60 1 253 360 31 LYS HG2 H 1.570 0.002 2 254 360 31 LYS HG3 H 1.525 0.041 2 255 360 31 LYS CD C 28.94 0.13 1 256 360 31 LYS HD2 H 1.760 0.005 1 257 360 31 LYS HD3 H 1.263 0.018 1 258 360 31 LYS CE C 41.60 0.19 1 259 360 31 LYS HE2 H 3.065 0.019 1 260 361 32 HIS N N 118.14 0.12 1 261 361 32 HIS H H 9.153 0.019 1 262 361 32 HIS CA C 56.91 0.12 1 263 361 32 HIS HA H 4.880 0.029 1 264 361 32 HIS CB C 31.81 0.31 1 265 361 32 HIS HB2 H 3.129 0.018 2 266 361 32 HIS HB3 H 3.063 0.060 2 267 362 33 CYS N N 116.73 0.11 1 268 362 33 CYS H H 8.326 0.010 1 269 362 33 CYS CA C 58.48 0.14 1 270 362 33 CYS HA H 5.028 0.011 1 271 362 33 CYS CB C 31.90 0.08 1 272 362 33 CYS HB2 H 3.551 0.011 2 273 362 33 CYS HB3 H 3.332 0.011 2 274 363 34 ARG N N 114.11 0.13 1 275 363 34 ARG H H 7.690 0.013 1 276 363 34 ARG CA C 58.03 0.17 1 277 363 34 ARG HA H 4.136 0.012 1 278 363 34 ARG CB C 26.61 0.14 1 279 363 34 ARG HB2 H 2.326 0.017 2 280 363 34 ARG HB3 H 2.217 0.025 2 281 363 34 ARG CG C 27.45 0.06 1 282 363 34 ARG CD C 42.93 0.10 1 283 363 34 ARG HG2 H 1.621 0.018 1 284 363 34 ARG HD2 H 3.279 0.026 1 285 364 35 LEU N N 122.56 0.11 1 286 364 35 LEU H H 8.428 0.022 1 287 364 35 LEU CA C 57.08 0.10 1 288 364 35 LEU HA H 4.200 0.011 1 289 364 35 LEU CB C 43.55 0.15 1 290 364 35 LEU HB2 H 2.113 0.019 2 291 364 35 LEU HB3 H 1.510 0.015 2 292 364 35 LEU CG C 24.68 0.12 1 293 364 35 LEU HG H 1.004 0.015 1 294 364 35 LEU CD1 C 27.36 0.08 1 295 364 35 LEU HD1 H 0.688 0.011 1 296 364 35 LEU CD2 C 27.24 0.15 1 297 364 35 LEU HD2 H 1.531 0.009 1 298 365 36 LYS N N 123.80 0.15 1 299 365 36 LYS H H 8.186 0.017 1 300 365 36 LYS CA C 53.69 0.23 1 301 365 36 LYS HA H 5.696 0.012 1 302 365 36 LYS CB C 33.95 0.14 1 303 365 36 LYS HB2 H 1.540 0.013 2 304 365 36 LYS HB3 H 1.407 0.038 2 305 365 36 LYS CG C 23.52 0.00 1 306 365 36 LYS HG2 H 1.696 0.003 1 307 365 36 LYS HG3 H 1.480 0.011 1 308 365 36 LYS HD2 H 1.272 0.000 1 309 365 36 LYS HE2 H 3.077 0.000 1 310 366 37 CYS N N 115.77 0.12 1 311 366 37 CYS H H 9.169 0.010 1 312 366 37 CYS CA C 55.19 0.09 1 313 366 37 CYS HA H 5.901 0.012 1 314 366 37 CYS CB C 32.66 0.08 1 315 366 37 CYS HB2 H 2.606 0.013 2 316 366 37 CYS HB3 H 3.157 0.013 2 317 367 38 HIS N N 117.54 0.12 1 318 367 38 HIS H H 8.389 0.012 1 319 367 38 HIS CA C 58.71 0.04 1 320 367 38 HIS HA H 4.623 0.002 1 321 367 38 HIS CB C 30.86 0.12 1 322 367 38 HIS HD2 H 7.752 0.011 1 323 367 38 HIS HB2 H 3.842 0.012 1 324 368 39 ASN N N 121.46 0.13 1 325 368 39 ASN H H 9.771 0.008 1 326 368 39 ASN CA C 57.60 0.10 1 327 368 39 ASN HA H 4.242 0.019 1 328 368 39 ASN CB C 37.47 0.10 1 329 368 39 ASN HB2 H 2.920 0.019 2 330 368 39 ASN HB3 H 2.876 0.010 2 331 369 40 LYS CA C 57.98 0.08 1 332 369 40 LYS HA H 4.362 0.024 1 333 369 40 LYS CB C 31.40 0.10 1 334 369 40 LYS CG C 24.45 0.00 1 335 369 40 LYS CD C 28.92 0.01 1 336 369 40 LYS HB2 H 2.009 0.002 1 337 369 40 LYS HG2 H 1.533 0.004 1 338 369 40 LYS HD2 H 1.723 0.016 1 339 369 40 LYS HE2 H 2.927 0.000 1 340 370 41 CYS N N 117.54 0.12 1 341 370 41 CYS H H 7.384 0.017 1 342 370 41 CYS CA C 61.66 0.07 1 343 370 41 CYS HA H 4.393 0.018 1 344 370 41 CYS CB C 30.04 0.09 1 345 370 41 CYS HB2 H 3.169 0.014 2 346 370 41 CYS HB3 H 2.995 0.012 2 347 371 42 THR N N 109.47 0.12 1 348 371 42 THR H H 7.400 0.016 1 349 371 42 THR CA C 65.15 0.06 1 350 371 42 THR HA H 3.738 0.020 1 351 371 42 THR CB C 68.20 0.10 1 352 371 42 THR HB H 4.138 0.023 1 353 371 42 THR CG2 C 23.03 0.08 1 354 371 42 THR HG2 H 0.706 0.008 1 355 372 43 LYS N N 118.86 0.15 1 356 372 43 LYS H H 7.656 0.007 1 357 372 43 LYS CA C 58.21 0.03 1 358 372 43 LYS HA H 4.304 0.016 1 359 372 43 LYS CB C 31.71 0.10 1 360 372 43 LYS CG C 24.36 0.09 1 361 372 43 LYS CD C 28.62 0.11 1 362 372 43 LYS HB2 H 2.009 0.008 1 363 372 43 LYS HG2 H 1.579 0.010 1 364 372 43 LYS HD2 H 1.818 0.009 1 365 372 43 LYS HE2 H 3.132 0.000 1 366 373 44 GLU N N 115.62 0.12 1 367 373 44 GLU H H 7.444 0.015 1 368 373 44 GLU CA C 54.54 0.07 1 369 373 44 GLU HA H 4.651 0.018 1 370 373 44 GLU CB C 30.12 0.11 1 371 373 44 GLU HB2 H 2.397 0.022 2 372 373 44 GLU HB3 H 1.875 0.009 2 373 373 44 GLU CG C 36.06 0.11 1 374 373 44 GLU HG2 H 2.285 0.005 1 375 374 45 ALA N N 121.70 0.10 1 376 374 45 ALA H H 7.353 0.012 1 377 374 45 ALA CA C 50.63 0.06 1 378 374 45 ALA HA H 4.386 0.011 1 379 374 45 ALA CB C 17.82 0.08 1 380 374 45 ALA HB H 1.547 0.012 1 381 375 46 PRO CA C 61.97 0.08 1 382 375 46 PRO HA H 4.739 0.005 1 383 375 46 PRO CB C 32.21 0.10 1 384 375 46 PRO HB2 H 2.485 0.014 2 385 375 46 PRO HB3 H 2.240 0.025 2 386 375 46 PRO CG C 26.75 0.06 1 387 375 46 PRO CD C 50.15 0.05 1 388 375 46 PRO HD2 H 3.900 0.010 2 389 375 46 PRO HD3 H 3.569 0.005 2 390 375 46 PRO HG2 H 2.178 0.010 1 391 376 47 ALA N N 119.70 0.10 1 392 376 47 ALA H H 8.339 0.008 1 393 376 47 ALA CA C 52.01 0.09 1 394 376 47 ALA HA H 4.161 0.018 1 395 376 47 ALA CB C 19.03 0.09 1 396 376 47 ALA HB H 1.456 0.012 1 397 377 48 CYS N N 122.96 0.14 1 398 377 48 CYS H H 7.964 0.017 1 399 377 48 CYS CA C 61.19 0.06 1 400 377 48 CYS HA H 3.913 0.016 1 401 377 48 CYS CB C 28.61 0.10 1 402 377 48 CYS HB2 H 2.359 0.007 2 403 377 48 CYS HB3 H 1.153 0.012 2 404 378 49 ARG N N 127.23 0.07 1 405 378 49 ARG H H 7.918 0.012 1 406 378 49 ARG CA C 57.13 0.09 1 407 378 49 ARG HA H 4.285 0.008 1 408 378 49 ARG CB C 31.72 0.20 1 409 378 49 ARG HB2 H 1.902 0.010 2 410 378 49 ARG HB3 H 1.795 0.012 2 411 378 49 ARG CG C 26.50 0.30 1 412 378 49 ARG CD C 43.20 0.09 1 413 378 49 ARG HG2 H 1.625 0.007 1 414 378 49 ARG HD2 H 3.256 0.001 1 stop_ save_