data_4526 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION NMR STRUCTURE OF TUMOR SUPPRESSOR P16INK4A, 20 STRUCTURES ; _BMRB_accession_number 4526 _BMRB_flat_file_name bmr4526.str _Entry_type original _Submission_date 1999-11-05 _Accession_date 1999-12-06 _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 Yuan C. . . 2 Selby T. L. . 3 Li J. . . 4 Byeon I. J.L. . 5 Tsai M. D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 242 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-03-08 original author . stop_ _Original_release_date 2001-03-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Tumor suppressor INK4: refinement of p16INK4A structure and determination of p15INK4B structure by comparative modeling and NMR data ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20348894 _PubMed_ID 10892805 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yuan C. . . 2 Selby T. L. . 3 Li J. . . 4 Byeon I. J.L. . 5 Tsai M. D. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 9 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1120 _Page_last 1128 _Year 2000 _Details . loop_ _Keyword 'ANKYRIN REPEAT' HELIX-TURN-HELIX 'HELIX BUNDLE' stop_ save_ ################################## # Molecular system description # ################################## save_system_P16INK4A _Saveframe_category molecular_system _Mol_system_name 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' _Abbreviation_common P16INK4A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label P16INK4A $P16INK4A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_P16INK4A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' _Abbreviation_common P16INK4A _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; MEPAAGSSMEPSADWLATAA ARGRVEEVRALLEAGALPNA PNSYGRRPIQVMMMGSARVA ELLLLHGAEPNCADPATLTR PVHDAAREGFLDTLVVLHRA GARLDVRDAWGRLPVDLAEE LGHRDVARYLRAAAGGTRGS NHARIDAAEGPSDIPD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 PRO 4 ALA 5 ALA 6 GLY 7 SER 8 SER 9 MET 10 GLU 11 PRO 12 SER 13 ALA 14 ASP 15 TRP 16 LEU 17 ALA 18 THR 19 ALA 20 ALA 21 ALA 22 ARG 23 GLY 24 ARG 25 VAL 26 GLU 27 GLU 28 VAL 29 ARG 30 ALA 31 LEU 32 LEU 33 GLU 34 ALA 35 GLY 36 ALA 37 LEU 38 PRO 39 ASN 40 ALA 41 PRO 42 ASN 43 SER 44 TYR 45 GLY 46 ARG 47 ARG 48 PRO 49 ILE 50 GLN 51 VAL 52 MET 53 MET 54 MET 55 GLY 56 SER 57 ALA 58 ARG 59 VAL 60 ALA 61 GLU 62 LEU 63 LEU 64 LEU 65 LEU 66 HIS 67 GLY 68 ALA 69 GLU 70 PRO 71 ASN 72 CYS 73 ALA 74 ASP 75 PRO 76 ALA 77 THR 78 LEU 79 THR 80 ARG 81 PRO 82 VAL 83 HIS 84 ASP 85 ALA 86 ALA 87 ARG 88 GLU 89 GLY 90 PHE 91 LEU 92 ASP 93 THR 94 LEU 95 VAL 96 VAL 97 LEU 98 HIS 99 ARG 100 ALA 101 GLY 102 ALA 103 ARG 104 LEU 105 ASP 106 VAL 107 ARG 108 ASP 109 ALA 110 TRP 111 GLY 112 ARG 113 LEU 114 PRO 115 VAL 116 ASP 117 LEU 118 ALA 119 GLU 120 GLU 121 LEU 122 GLY 123 HIS 124 ARG 125 ASP 126 VAL 127 ALA 128 ARG 129 TYR 130 LEU 131 ARG 132 ALA 133 ALA 134 ALA 135 GLY 136 GLY 137 THR 138 ARG 139 GLY 140 SER 141 ASN 142 HIS 143 ALA 144 ARG 145 ILE 146 ASP 147 ALA 148 ALA 149 GLU 150 GLY 151 PRO 152 SER 153 ASP 154 ILE 155 PRO 156 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 4086 p16(INK4)/delta_1-8 94.87 148 100.00 100.00 1.12e-97 PDB 1A5E "Solution Nmr Structure Of Tumor Suppressor P16ink4a, 18 Structures" 100.00 156 100.00 100.00 2.20e-103 PDB 1BI7 "Mechanism Of G1 Cyclin Dependent Kinase Inhibition From The Structure Of The Cdk6-P16ink4a Tumor Suppressor Complex" 100.00 156 99.36 99.36 3.09e-102 PDB 1DC2 "Solution Nmr Structure Of Tumor Suppressor P16ink4a, 20 Structures" 100.00 156 100.00 100.00 2.20e-103 PDB 2A5E "Solution Nmr Structure Of Tumor Suppressor P16ink4a, Restrained Minimized Mean Structure" 100.00 156 100.00 100.00 2.20e-103 DBJ BAA33541 "p15/MTS2/CDKN2B [Felis catus]" 54.49 86 97.65 98.82 1.65e-48 DBJ BAB91133 "p16/CDKN2A [Homo sapiens]" 100.00 156 100.00 100.00 2.20e-103 EMBL CCQ43815 "alternative protein CDKN2A [Homo sapiens]" 69.23 108 98.15 100.00 5.51e-67 GB AAA92554 "p16-INK4 [Homo sapiens]" 100.00 156 100.00 100.00 2.20e-103 GB AAB32713 "cyclin D-dependent kinases 4 and 6-binding protein/p16 product [human, brain tumors, Peptide, 156 aa]" 100.00 156 98.72 98.72 4.16e-101 GB AAB60645 "p16-INK4 [Homo sapiens]" 94.87 148 100.00 100.00 1.12e-97 GB AAD14048 "multiple tumor suppressor 1/cyclin-dependent kinase 4 inhibitor p16 [Homo sapiens]" 65.38 102 100.00 100.00 4.59e-63 GB AAD14050 "cyclin-dependent kinase 4 inhibitor [Homo sapiens]" 67.95 106 100.00 100.00 2.80e-66 PRF 2002364A "p16ink4 protein" 94.87 148 99.32 99.32 1.86e-96 REF NP_000068 "cyclin-dependent kinase inhibitor 2A isoform p16INK4a [Homo sapiens]" 100.00 156 100.00 100.00 2.20e-103 REF NP_001139762 "cyclin-dependent kinase inhibitor 2A [Pan troglodytes]" 100.00 156 99.36 99.36 3.41e-102 REF NP_001182061 "cyclin-dependent kinase inhibitor 2A isoform p16gamma [Homo sapiens]" 98.72 167 98.70 100.00 3.99e-100 REF XP_003830733 "PREDICTED: cyclin-dependent kinase inhibitor 2A isoform X2 [Pan paniscus]" 100.00 156 99.36 99.36 3.41e-102 REF XP_005251400 "PREDICTED: cyclin-dependent kinase inhibitor 2A isoform X5 [Homo sapiens]" 67.31 105 100.00 100.00 1.30e-65 SP P42771 "RecName: Full=Cyclin-dependent kinase inhibitor 2A; AltName: Full=Cyclin-dependent kinase 4 inhibitor A; Short=CDK4I; AltName: " 100.00 156 100.00 100.00 2.20e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $P16INK4A 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 $P16INK4A 'recombinant technology' Bacteria Escherichia coli . PTG 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 $P16INK4A . mM 0.2 0.4 '[U-15N; U-13C]' HEPES 4 mM . . . DTT 1 mM . . . EDTA 5 uM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $P16INK4A . mM 0.2 0.4 [U-15N] HEPES 4 mM . . . DTT 1 mM . . . EDTA 5 uM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $P16INK4A . mM 0.2 0.4 . HEPES 4 mM . . . DTT 1 mM . . . EDTA 5 uM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.85 loop_ _Task 'STRUCTURE SOLUTION' stop_ _Details BRUNGER save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.1 loop_ _Task 'COLLECTION, PROCESSING' stop_ _Details . save_ save_FELIX _Saveframe_category software _Name FELIX _Version 95 loop_ _Task PROCESSING stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-SEPARATED_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-SEPARATED NOESY' _Sample_label . save_ save_4D_13C-SEPARATED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D_13C-SEPARATED NOESY' _Sample_label . save_ save_4D_13C/15N-SEPARATED_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D_13C/15N-SEPARATED NOESY' _Sample_label . save_ save_3D_15N-SEPARATED_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N-SEPARATED NOESY' _Sample_label . save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_2D_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-SEPARATED NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D_13C-SEPARATED NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D_13C/15N-SEPARATED NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N-SEPARATED NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . n/a temperature 293 . K 'ionic strength' 0 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_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 . C 13 . ppm . . . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_ref_1 _Mol_system_component_name P16INK4A _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 . 12 SER CA C 59.0 . . 2 . 12 SER CB C 64.5 . . 3 . 13 ALA CA C 54.4 . . 4 . 13 ALA CB C 18.2 . . 5 . 14 ASP CA C 56.4 . . 6 . 15 TRP CA C 58.5 . . 7 . 15 TRP CB C 29.2 . . 8 . 16 LEU CA C 58.5 . . 9 . 16 LEU CB C 40.4 . . 10 . 17 ALA CA C 55.9 . . 11 . 17 ALA CB C 18.2 . . 12 . 18 THR CA C 66.9 . . 13 . 18 THR CB C 68.6 . . 14 . 19 ALA CA C 55.6 . . 15 . 19 ALA CB C 18.2 . . 16 . 20 ALA CA C 55.2 . . 17 . 20 ALA CB C 17.5 . . 18 . 21 ALA CA C 55.2 . . 19 . 21 ALA CB C 18.8 . . 20 . 22 ARG CA C 55.4 . . 21 . 22 ARG CB C 31.2 . . 22 . 23 GLY CA C 47.0 . . 23 . 24 ARG CA C 54.5 . . 24 . 24 ARG CB C 32.3 . . 25 . 25 VAL CA C 67.3 . . 26 . 25 VAL CB C 32.4 . . 27 . 26 GLU CA C 58.9 . . 28 . 27 GLU CA C 58.9 . . 29 . 27 GLU CB C 30.3 . . 30 . 28 VAL CA C 67.2 . . 31 . 28 VAL CB C 31.4 . . 32 . 29 ARG CA C 60.4 . . 33 . 29 ARG CB C 29.9 . . 34 . 30 ALA CA C 54.8 . . 35 . 30 ALA CB C 18.2 . . 36 . 31 LEU CA C 57.6 . . 37 . 31 LEU CB C 42.2 . . 38 . 32 LEU CA C 57.8 . . 39 . 32 LEU CB C 40.1 . . 40 . 33 GLU CA C 59.0 . . 41 . 33 GLU CB C 28.9 . . 42 . 34 ALA CA C 51.9 . . 43 . 34 ALA CB C 18.9 . . 44 . 35 GLY CA C 45.0 . . 45 . 36 ALA CA C 52.7 . . 46 . 36 ALA CB C 19.3 . . 47 . 37 LEU CA C 52.6 . . 48 . 37 LEU CB C 41.2 . . 49 . 38 PRO CA C 64.4 . . 50 . 39 ASN CA C 52.9 . . 51 . 39 ASN CB C 39.4 . . 52 . 40 ALA CA C 50.3 . . 53 . 40 ALA CB C 18.6 . . 54 . 41 PRO CA C 63.6 . . 55 . 43 SER CA C 61.8 . . 56 . 44 TYR CA C 57.1 . . 57 . 44 TYR CB C 38.3 . . 58 . 45 GLY CA C 45.9 . . 59 . 46 ARG CA C 54.5 . . 60 . 46 ARG CB C 32.3 . . 61 . 48 PRO CA C 66.6 . . 62 . 49 ILE CA C 60.9 . . 63 . 49 ILE CB C 39.4 . . 64 . 50 GLN CA C 57.1 . . 65 . 51 VAL CA C 60.1 . . 66 . 51 VAL CB C 32.4 . . 67 . 52 MET CA C 55.0 . . 68 . 52 MET CB C 32.7 . . 69 . 53 MET CA C 56.1 . . 70 . 53 MET CB C 32.4 . . 71 . 54 MET CA C 56.6 . . 72 . 54 MET CB C 31.8 . . 73 . 55 GLY CA C 43.7 . . 74 . 56 SER CA C 55.0 . . 75 . 56 SER CB C 61.8 . . 76 . 57 ALA CA C 55.4 . . 77 . 57 ALA CB C 17.8 . . 78 . 58 ARG CA C 58.1 . . 79 . 58 ARG CB C 30.4 . . 80 . 59 VAL CA C 67.6 . . 81 . 59 VAL CB C 31.0 . . 82 . 60 ALA CA C 55.8 . . 83 . 60 ALA CB C 17.9 . . 84 . 61 GLU CA C 59.6 . . 85 . 61 GLU CB C 30.8 . . 86 . 62 LEU CA C 58.2 . . 87 . 62 LEU CB C 43.2 . . 88 . 63 LEU CA C 58.4 . . 89 . 63 LEU CB C 40.9 . . 90 . 64 LEU CA C 58.0 . . 91 . 64 LEU CB C 40.9 . . 92 . 65 LEU CA C 57.7 . . 93 . 65 LEU CB C 42.2 . . 94 . 66 HIS CA C 57.2 . . 95 . 66 HIS CB C 30.7 . . 96 . 67 GLY CA C 45.4 . . 97 . 68 ALA CA C 52.2 . . 98 . 68 ALA CB C 19.5 . . 99 . 70 PRO CA C 64.2 . . 100 . 71 ASN CA C 54.0 . . 101 . 72 CYS CA C 56.2 . . 102 . 72 CYS CB C 28.5 . . 103 . 73 ALA CA C 49.5 . . 104 . 73 ALA CB C 21.8 . . 105 . 74 ASP CA C 52.2 . . 106 . 74 ASP CB C 43.0 . . 107 . 75 PRO CA C 64.8 . . 108 . 76 ALA CA C 54.0 . . 109 . 76 ALA CB C 19.9 . . 110 . 77 THR CA C 61.3 . . 111 . 77 THR CB C 71.0 . . 112 . 78 LEU CA C 55.9 . . 113 . 78 LEU CB C 39.5 . . 114 . 79 THR CA C 64.4 . . 115 . 79 THR CB C 69.0 . . 116 . 80 ARG CA C 54.8 . . 117 . 81 PRO CA C 66.6 . . 118 . 82 VAL CA C 65.5 . . 119 . 82 VAL CB C 32.2 . . 120 . 83 HIS CA C 63.7 . . 121 . 83 HIS CB C 31.8 . . 122 . 84 ASP CA C 58.0 . . 123 . 84 ASP CB C 41.3 . . 124 . 85 ALA CA C 55.9 . . 125 . 85 ALA CB C 17.7 . . 126 . 86 ALA CA C 55.1 . . 127 . 86 ALA CB C 19.6 . . 128 . 87 ARG CA C 58.7 . . 129 . 87 ARG CB C 30.7 . . 130 . 88 GLU CA C 56.6 . . 131 . 88 GLU CB C 30.8 . . 132 . 89 GLY CA C 44.7 . . 133 . 90 PHE CA C 56.4 . . 134 . 90 PHE CB C 38.5 . . 135 . 91 LEU CA C 58.0 . . 136 . 91 LEU CB C 42.4 . . 137 . 92 ASP CA C 57.6 . . 138 . 92 ASP CB C 38.6 . . 139 . 93 THR CA C 65.9 . . 140 . 93 THR CB C 67.8 . . 141 . 94 LEU CA C 58.9 . . 142 . 94 LEU CB C 42.1 . . 143 . 95 VAL CA C 67.2 . . 144 . 95 VAL CB C 31.5 . . 145 . 96 VAL CA C 66.5 . . 146 . 96 VAL CB C 31.4 . . 147 . 97 LEU CA C 58.3 . . 148 . 97 LEU CB C 41.7 . . 149 . 98 HIS CA C 58.1 . . 150 . 98 HIS CB C 32.9 . . 151 . 99 ARG CA C 58.9 . . 152 . 99 ARG CB C 30.1 . . 153 . 100 ALA CA C 51.8 . . 154 . 100 ALA CB C 21.2 . . 155 . 101 GLY CA C 44.7 . . 156 . 102 ALA CA C 52.4 . . 157 . 102 ALA CB C 19.8 . . 158 . 103 ARG CA C 55.8 . . 159 . 104 LEU CA C 54.3 . . 160 . 104 LEU CB C 42.0 . . 161 . 105 ASP CA C 52.6 . . 162 . 105 ASP CB C 38.8 . . 163 . 106 VAL CA C 58.6 . . 164 . 106 VAL CB C 33.6 . . 165 . 107 ARG CA C 54.6 . . 166 . 108 ASP CA C 53.0 . . 167 . 108 ASP CB C 40.4 . . 168 . 109 ALA CA C 54.2 . . 169 . 109 ALA CB C 17.5 . . 170 . 110 TRP CA C 58.6 . . 171 . 111 GLY CA C 45.7 . . 172 . 112 ARG CA C 56.8 . . 173 . 112 ARG CB C 30.4 . . 174 . 113 LEU CA C 53.1 . . 175 . 114 PRO CA C 66.9 . . 176 . 115 VAL CA C 64.9 . . 177 . 115 VAL CB C 30.6 . . 178 . 116 ASP CA C 57.2 . . 179 . 116 ASP CB C 40.8 . . 180 . 117 LEU CA C 57.2 . . 181 . 117 LEU CB C 42.0 . . 182 . 118 ALA CA C 55.0 . . 183 . 118 ALA CB C 18.6 . . 184 . 119 GLU CA C 59.1 . . 185 . 119 GLU CB C 29.7 . . 186 . 120 GLU CA C 59.1 . . 187 . 120 GLU CB C 29.5 . . 188 . 121 LEU CA C 53.8 . . 189 . 121 LEU CB C 40.9 . . 190 . 122 GLY CA C 46.0 . . 191 . 123 HIS CA C 53.1 . . 192 . 123 HIS CB C 28.7 . . 193 . 124 ARG CA C 59.7 . . 194 . 125 ASP CA C 57.4 . . 195 . 125 ASP CB C 39.4 . . 196 . 126 VAL CA C 66.1 . . 197 . 126 VAL CB C 31.4 . . 198 . 127 ALA CA C 55.8 . . 199 . 127 ALA CB C 18.3 . . 200 . 128 ARG CA C 59.7 . . 201 . 128 ARG CB C 29.9 . . 202 . 129 TYR CA C 61.7 . . 203 . 129 TYR CB C 38.8 . . 204 . 130 LEU CA C 57.6 . . 205 . 130 LEU CB C 41.7 . . 206 . 131 ARG CA C 58.8 . . 207 . 131 ARG CB C 30.0 . . 208 . 132 ALA CA C 54.0 . . 209 . 132 ALA CB C 18.1 . . 210 . 133 ALA CA C 53.4 . . 211 . 133 ALA CB C 18.4 . . 212 . 134 ALA CA C 52.8 . . 213 . 134 ALA CB C 19.1 . . 214 . 135 GLY CA C 45.5 . . 215 . 137 THR CA C 62.2 . . 216 . 137 THR CB C 69.7 . . 217 . 138 ARG CA C 56.4 . . 218 . 142 HIS CA C 57.2 . . 219 . 142 HIS CB C 30.7 . . 220 . 144 ARG CA C 55.9 . . 221 . 144 ARG CB C 30.8 . . 222 . 145 ILE CA C 61.1 . . 223 . 145 ILE CB C 38.6 . . 224 . 146 ASP CA C 54.1 . . 225 . 146 ASP CB C 41.1 . . 226 . 147 ALA CA C 52.5 . . 227 . 147 ALA CB C 19.3 . . 228 . 148 ALA CA C 52.5 . . 229 . 148 ALA CB C 19.3 . . 230 . 149 GLU CA C 56.3 . . 231 . 149 GLU CB C 30.6 . . 232 . 150 GLY CA C 44.5 . . 233 . 151 PRO CA C 63.0 . . 234 . 151 PRO CB C 32.1 . . 235 . 152 SER CA C 58.0 . . 236 . 152 SER CB C 63.7 . . 237 . 153 ASP CA C 54.1 . . 238 . 153 ASP CB C 41.1 . . 239 . 154 ILE CA C 58.4 . . 240 . 154 ILE CB C 38.7 . . 241 . 155 PRO CA C 63.2 . . 242 . 155 PRO CB C 32.0 . . stop_ save_