data_17937 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solid-state Chemical Shift Assignments for CAP-Gly Domain of Mammalian Dynactin ; _BMRB_accession_number 17937 _BMRB_flat_file_name bmr17937.str _Entry_type original _Submission_date 2011-09-14 _Accession_date 2011-09-14 _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 Yan Si . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 327 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-11-04 update author 'update entry title' 2011-10-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solid-State and Solution NMR Studies of the CAP-Gly Domain of Mammalian Dynactin and Its Interaction with Microtubules' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19580321 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sun Shangjin . . 2 Siglin Amanda . . 3 Williams John C. . 4 Polenova Tatyana . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 131 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10113 _Page_last 10126 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CAP-Gly _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CAP-Gly $CAP-Gly 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_CAP-Gly _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CAP-Gly _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'A microtubule binding domain of dynactin' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; TEASARPLRVGSRVEVIGKG HRGTVAYVGATLFATGKWVG VILDEAKGKNDGTVQGRKYF TCDEGHGIFVRQSQIQVFED GADTTSPE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 20 THR 2 21 GLU 3 22 ALA 4 23 SER 5 24 ALA 6 25 ARG 7 26 PRO 8 27 LEU 9 28 ARG 10 29 VAL 11 30 GLY 12 31 SER 13 32 ARG 14 33 VAL 15 34 GLU 16 35 VAL 17 36 ILE 18 37 GLY 19 38 LYS 20 39 GLY 21 40 HIS 22 41 ARG 23 42 GLY 24 43 THR 25 44 VAL 26 45 ALA 27 46 TYR 28 47 VAL 29 48 GLY 30 49 ALA 31 50 THR 32 51 LEU 33 52 PHE 34 53 ALA 35 54 THR 36 55 GLY 37 56 LYS 38 57 TRP 39 58 VAL 40 59 GLY 41 60 VAL 42 61 ILE 43 62 LEU 44 63 ASP 45 64 GLU 46 65 ALA 47 66 LYS 48 67 GLY 49 68 LYS 50 69 ASN 51 70 ASP 52 71 GLY 53 72 THR 54 73 VAL 55 74 GLN 56 75 GLY 57 76 ARG 58 77 LYS 59 78 TYR 60 79 PHE 61 80 THR 62 81 CYS 63 82 ASP 64 83 GLU 65 84 GLY 66 85 HIS 67 86 GLY 68 87 ILE 69 88 PHE 70 89 VAL 71 90 ARG 72 91 GLN 73 92 SER 74 93 GLN 75 94 ILE 76 95 GLN 77 96 VAL 78 97 PHE 79 98 GLU 80 99 ASP 81 100 GLY 82 101 ALA 83 102 ASP 84 103 THR 85 104 THR 86 105 SER 87 106 PRO 88 107 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 17938 CAP-Gly 100.00 88 100.00 100.00 1.10e-55 BMRB 19025 CAP-Gly 100.00 89 100.00 100.00 9.65e-56 BMRB 19031 CAP-Gly 100.00 89 100.00 100.00 9.65e-56 BMRB 25005 CAP-Gly 100.00 89 100.00 100.00 9.65e-56 PDB 1TXQ "Crystal Structure Of The Eb1 C-Terminal Domain Complexed With The Cap-Gly Domain Of P150glued" 98.86 93 100.00 100.00 3.19e-55 PDB 2HKN "Crystal Structure Of The Cap-Gly Domain Of Human Dynactin-1 (P150- Glued)" 98.86 97 100.00 100.00 4.19e-55 PDB 2HKQ "Crystal Structure Of The C-Terminal Domain Of Human Eb1 In Complex With The Cap-Gly Domain Of Human Dynactin-1 (P150-Glued)" 98.86 97 100.00 100.00 4.19e-55 PDB 2HL3 "Crystal Structure Of The A49m Mutant Cap-gly Domain Of Human Dynactin- 1 (p150-glued) In Complex With Human Eb1 C-terminal Hexa" 98.86 97 98.85 98.85 1.84e-54 PDB 2HL5 "Crystal Structure Of The C-Terminal Domain Of Human Eb1 In Complex With The A49m Mutant Cap-Gly Domain Of Human Dynactin-1 (P15" 98.86 97 98.85 98.85 1.84e-54 PDB 2HQH "Crystal Structure Of P150glued And Clip-170" 98.86 93 100.00 100.00 3.19e-55 PDB 2M02 "3d Structure Of Cap-gly Domain Of Mammalian Dynactin Determined By Magic Angle Spinning Nmr Spectroscopy" 100.00 89 100.00 100.00 9.65e-56 PDB 2MPX "Three-dimensional Structure Of Cap-gly Domain Assembled On Microtubules Determined By Mas Nmr Spectroscopy" 79.55 70 100.00 100.00 7.68e-42 PDB 3E2U "Crystal Structure Of The Zink-Knuckle 2 Domain Of Human Clip-170 In Complex With Cap-Gly Domain Of Human Dynactin-1 (P150-Glued" 98.86 97 100.00 100.00 4.19e-55 PDB 3TQ7 "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" 80.68 71 98.59 98.59 1.65e-41 DBJ BAE34241 "unnamed protein product [Mus musculus]" 100.00 1243 100.00 100.00 1.82e-51 DBJ BAE37079 "unnamed protein product [Mus musculus]" 100.00 395 100.00 100.00 1.35e-50 DBJ BAE42418 "unnamed protein product [Mus musculus]" 100.00 1239 100.00 100.00 3.25e-51 DBJ BAE42912 "unnamed protein product [Mus musculus]" 100.00 1239 100.00 100.00 2.52e-51 DBJ BAE87998 "unnamed protein product [Macaca fascicularis]" 98.86 409 100.00 100.00 2.29e-55 EMBL CAA44091 "150K dynein-associated polypeptide [Rattus norvegicus]" 100.00 1280 100.00 100.00 3.13e-51 EMBL CAA67333 "dynactin [Homo sapiens]" 98.86 1263 100.00 100.00 1.58e-50 EMBL CAE45882 "hypothetical protein [Homo sapiens]" 98.86 1278 100.00 100.00 1.97e-50 EMBL CAH10572 "hypothetical protein [Homo sapiens]" 98.86 890 100.00 100.00 5.76e-51 EMBL CAH10575 "hypothetical protein [Homo sapiens]" 98.86 890 100.00 100.00 7.42e-51 GB AAB57773 "dynactin1 [Mus musculus]" 100.00 1281 100.00 100.00 4.54e-51 GB AAD03694 "dynactin 1 [Homo sapiens]" 98.86 1261 100.00 100.00 1.58e-50 GB AAD55811 "dynactin 1 p150 isoform [Homo sapiens]" 98.86 1278 100.00 100.00 1.62e-50 GB AAH66061 "Dctn1 protein [Mus musculus]" 100.00 1264 98.86 98.86 1.03e-49 GB AAI42510 "DCTN1 protein [Bos taurus]" 98.86 1239 100.00 100.00 8.47e-51 REF NP_001092404 "dynactin subunit 1 [Bos taurus]" 98.86 1239 100.00 100.00 8.47e-51 REF NP_001127253 "dynactin subunit 1 [Pongo abelii]" 67.05 233 100.00 100.00 5.90e-35 REF NP_001128512 "dynactin subunit 1 isoform 3 [Homo sapiens]" 98.86 1253 100.00 100.00 1.16e-50 REF NP_001177765 "dynactin subunit 1 isoform 5 [Homo sapiens]" 98.86 1236 100.00 100.00 8.18e-51 REF NP_001177766 "dynactin subunit 1 isoform 6 [Homo sapiens]" 98.86 1271 100.00 100.00 1.60e-50 SP O08788 "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" 100.00 1281 100.00 100.00 4.08e-51 SP P28023 "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" 100.00 1280 100.00 100.00 3.13e-51 SP Q14203 "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" 98.86 1278 100.00 100.00 1.62e-50 TPG DAA24857 "TPA: dynactin 1 [Bos taurus]" 98.86 1239 100.00 100.00 8.47e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CAP-Gly 'E. coli' 562 Bacteria . Escherichia coli 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 $CAP-Gly 'recombinant technology' . Escherichia coli BL21(DE3) pET28b-His6-SMT3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CAP-Gly 14 mg '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Roland_NMR_Toolkit _Saveframe_category software _Name 'Rowland NMR Toolkit' _Version . loop_ _Vendor _Address _Electronic_address '(RNMRTK)-Hoch, Stern, Li, Mobli, Maciejewski, Gryk' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model InfinityPlus _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name DARR _Sample_label $sample_1 save_ save_NCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name NCA _Sample_label $sample_1 save_ save_NCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name NCO _Sample_label $sample_1 save_ save_NCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name NCACB _Sample_label $sample_1 save_ save_NCACX_5 _Saveframe_category NMR_applied_experiment _Experiment_name NCACX _Sample_label $sample_1 save_ save_CTUC-COCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name CTUC-COCA _Sample_label $sample_1 save_ save_CTUC-CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name CTUC-CACB _Sample_label $sample_1 save_ save_CTUC-NCOCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name CTUC-NCOCA _Sample_label $sample_1 save_ save_NCOCX_9 _Saveframe_category NMR_applied_experiment _Experiment_name NCOCX _Sample_label $sample_1 save_ save_DARR_10 _Saveframe_category NMR_applied_experiment _Experiment_name DARR _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 'ionic strength' 30 . mM pH 6.0 . pH pressure 1 . atm temperature 256.3 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 30 . mM pH 6.0 . pH pressure 1 . atm temperature 258 . 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 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 NCACB NCACX CTUC-NCOCA NCOCX DARR stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CAP-Gly _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 20 1 THR C C 174.1 . 1 2 20 1 THR CA C 60.7 . 1 3 20 1 THR CB C 70.1 . 1 4 20 1 THR CG2 C 22.3 . 1 5 20 1 THR N N 117.7 . 1 6 21 2 GLU C C 176.2 . 1 7 21 2 GLU CA C 55.0 . 1 8 21 2 GLU CB C 31.7 . 1 9 22 3 ALA C C 177.0 . 1 10 22 3 ALA CA C 54.0 . 1 11 22 3 ALA CB C 19.1 . 1 12 22 3 ALA N N 122.7 . 1 13 23 4 SER C C 174.3 . 1 14 23 4 SER CA C 58.9 . 1 15 23 4 SER CB C 63.9 . 1 16 23 4 SER N N 113.2 . 1 17 24 5 ALA C C 176.7 . 1 18 24 5 ALA CA C 51.0 . 1 19 24 5 ALA CB C 20.6 . 1 20 24 5 ALA N N 125.2 . 1 21 25 6 ARG C C 174.0 . 1 22 25 6 ARG CA C 54.4 . 1 23 25 6 ARG CB C 32.7 . 1 24 25 6 ARG N N 121.6 . 1 25 26 7 PRO C C 176.2 . 1 26 26 7 PRO CA C 62.9 . 1 27 26 7 PRO CB C 32.3 . 1 28 26 7 PRO CG C 27.7 . 1 29 26 7 PRO CD C 50.5 . 1 30 27 8 LEU C C 175.8 . 1 31 27 8 LEU CA C 53.5 . 1 32 27 8 LEU CB C 42.0 . 1 33 27 8 LEU CG C 28.6 . 1 34 27 8 LEU CD1 C 24.9 . . 35 27 8 LEU N N 122.7 . 1 36 28 9 ARG C C 175.1 . 1 37 28 9 ARG CA C 54.0 . 1 38 28 9 ARG CB C 33.2 . 1 39 28 9 ARG CD C 42.3 . 1 40 28 9 ARG N N 123.2 . 1 41 29 10 VAL C C 177.1 . 1 42 29 10 VAL CA C 65.8 . 1 43 29 10 VAL CB C 30.6 . 1 44 29 10 VAL CG1 C 21.2 . . 45 29 10 VAL N N 121.4 . 1 46 30 11 GLY C C 174.3 . 1 47 30 11 GLY CA C 44.7 . 1 48 30 11 GLY N N 117.4 . 1 49 31 12 SER C C 173.4 . 1 50 31 12 SER CA C 60.9 . 1 51 31 12 SER CB C 63.2 . 1 52 31 12 SER N N 119.2 . 1 53 32 13 ARG C C 176.5 . 1 54 32 13 ARG CA C 52.7 . 1 55 32 13 ARG CB C 29.0 . 1 56 32 13 ARG N N 125.1 . 1 57 33 14 VAL C C 174.4 . 1 58 33 14 VAL CA C 57.2 . 1 59 33 14 VAL CB C 37.3 . 1 60 33 14 VAL CG1 C 22.2 . . 61 33 14 VAL N N 112.4 . 1 62 34 15 GLU C C 176.2 . 1 63 34 15 GLU CA C 54.0 . 1 64 34 15 GLU CB C 33.0 . 1 65 34 15 GLU N N 118.8 . 1 66 35 16 VAL C C 175.2 . 1 67 35 16 VAL CA C 62.4 . 1 68 35 16 VAL CB C 31.1 . 1 69 35 16 VAL CG1 C 21.4 . . 70 35 16 VAL CG2 C 20.6 . . 71 35 16 VAL N N 124.6 . 1 72 36 17 ILE C C 177.5 . 1 73 36 17 ILE CA C 63.9 . 1 74 36 17 ILE CB C 38.2 . 1 75 36 17 ILE CG1 C 29.0 . 1 76 36 17 ILE CG2 C 16.7 . 1 77 36 17 ILE CD1 C 13.6 . 1 78 36 17 ILE N N 132.1 . 1 79 37 18 GLY C C 174.3 . 1 80 37 18 GLY CA C 44.4 . 1 81 37 18 GLY N N 117.4 . 1 82 38 19 LYS C C 176.7 . 1 83 38 19 LYS CA C 54.5 . 1 84 38 19 LYS CB C 32.5 . 1 85 38 19 LYS N N 117.3 . 1 86 39 20 GLY C C 173.1 . 1 87 39 20 GLY CA C 45.3 . 1 88 39 20 GLY N N 106.5 . 1 89 40 21 HIS C C 175.3 . 1 90 40 21 HIS CA C 53.6 . 1 91 40 21 HIS CB C 31.9 . 1 92 40 21 HIS N N 116.9 . 1 93 41 22 ARG C C 177.0 . 1 94 41 22 ARG CA C 55.4 . 1 95 41 22 ARG CB C 32.5 . 1 96 41 22 ARG CG C 30.5 . 1 97 41 22 ARG CD C 40.1 . 1 98 41 22 ARG N N 122.6 . 1 99 42 23 GLY C C 170.6 . 1 100 42 23 GLY CA C 46.8 . 1 101 42 23 GLY N N 107.2 . 1 102 43 24 THR C C 174.3 . 1 103 43 24 THR CA C 60.2 . 1 104 43 24 THR CB C 70.8 . 1 105 43 24 THR CG2 C 21.8 . 1 106 43 24 THR N N 117.2 . 1 107 44 25 VAL C C 175.4 . 1 108 44 25 VAL CA C 64.5 . 1 109 44 25 VAL CB C 31.0 . 1 110 44 25 VAL CG1 C 23.6 . . 111 44 25 VAL CG2 C 22.4 . . 112 44 25 VAL N N 127.9 . 1 113 45 26 ALA C C 176.0 . 1 114 45 26 ALA CA C 51.1 . 1 115 45 26 ALA CB C 21.4 . 1 116 45 26 ALA N N 131.7 . 1 117 46 27 TYR C C 173.0 . 1 118 46 27 TYR CA C 58.4 . 1 119 46 27 TYR CB C 43.0 . 1 120 46 27 TYR CG C 128.6 . 1 121 46 27 TYR N N 120.6 . 1 122 47 28 VAL C C 174.4 . 1 123 47 28 VAL CA C 61.2 . 1 124 47 28 VAL CB C 35.1 . 1 125 47 28 VAL CG1 C 21.8 . . 126 47 28 VAL CG2 C 21.1 . . 127 47 28 VAL N N 128.0 . 1 128 48 29 GLY C C 172.0 . 1 129 48 29 GLY CA C 44.9 . 1 130 48 29 GLY N N 113.4 . 1 131 49 30 ALA C C 178.3 . 1 132 49 30 ALA CA C 52.1 . 1 133 49 30 ALA CB C 20.0 . 1 134 49 30 ALA N N 123.4 . 1 135 50 31 THR C C 173.2 . 1 136 50 31 THR CA C 59.0 . 1 137 50 31 THR CB C 71.9 . 1 138 50 31 THR CG2 C 21.5 . 1 139 50 31 THR N N 112.1 . 1 140 51 32 LEU C C 177.4 . 1 141 51 32 LEU CA C 54.7 . 1 142 51 32 LEU CB C 41.0 . 1 143 51 32 LEU CG C 26.6 . 1 144 51 32 LEU CD1 C 22.1 . . 145 51 32 LEU N N 113.0 . 1 146 52 33 PHE C C 174.1 . 1 147 52 33 PHE CA C 55.8 . 1 148 52 33 PHE CB C 38.2 . 1 149 52 33 PHE N N 111.5 . 1 150 53 34 ALA C C 176.1 . 1 151 53 34 ALA CA C 51.1 . 1 152 53 34 ALA CB C 22.1 . 1 153 53 34 ALA N N 123.3 . 1 154 54 35 THR C C 175.9 . 1 155 54 35 THR CA C 61.8 . 1 156 54 35 THR CB C 70.5 . 1 157 54 35 THR CG2 C 21.6 . 1 158 54 35 THR N N 110.5 . 1 159 55 36 GLY C C 172.2 . 1 160 55 36 GLY CA C 45.4 . 1 161 55 36 GLY N N 110.4 . 1 162 56 37 LYS C C 176.3 . 1 163 56 37 LYS CA C 56.4 . 1 164 56 37 LYS CB C 33.2 . 1 165 56 37 LYS CG C 25.0 . 1 166 56 37 LYS CD C 29.0 . 1 167 56 37 LYS CE C 42.1 . 1 168 56 37 LYS N N 121.0 . 1 169 57 38 TRP C C 173.5 . 1 170 57 38 TRP CA C 56.3 . 1 171 57 38 TRP CB C 33.0 . 1 172 57 38 TRP CG C 110.0 . 1 173 57 38 TRP CD1 C 129.5 . 1 174 57 38 TRP N N 130.5 . 1 175 58 39 VAL C C 176.2 . 1 176 58 39 VAL CA C 60.5 . 1 177 58 39 VAL CB C 32.8 . 1 178 58 39 VAL CG1 C 23.3 . . 179 58 39 VAL CG2 C 20.3 . . 180 58 39 VAL N N 120.1 . 1 181 59 40 GLY C C 172.0 . 1 182 59 40 GLY CA C 45.5 . 1 183 59 40 GLY N N 115.7 . 1 184 60 41 VAL C C 173.0 . 1 185 60 41 VAL CA C 60.2 . 1 186 60 41 VAL CB C 34.6 . 1 187 60 41 VAL CG1 C 21.9 . . 188 60 41 VAL CG2 C 21.1 . . 189 60 41 VAL N N 128.4 . 1 190 61 42 ILE C C 177.4 . 1 191 61 42 ILE CA C 60.3 . 1 192 61 42 ILE CB C 37.9 . 1 193 61 42 ILE CG1 C 27.5 . 1 194 61 42 ILE CG2 C 17.6 . 1 195 61 42 ILE CD1 C 14.2 . 1 196 61 42 ILE N N 124.1 . 1 197 62 43 LEU C C 177.4 . 1 198 62 43 LEU CA C 55.1 . 1 199 62 43 LEU CB C 41.2 . 1 200 62 43 LEU CG C 27.3 . 1 201 62 43 LEU CD1 C 24.3 . . 202 62 43 LEU N N 133.4 . 1 203 63 44 ASP C C 177.4 . 1 204 63 44 ASP CA C 57.0 . 1 205 63 44 ASP CB C 39.6 . 1 206 63 44 ASP CG C 179.7 . 1 207 63 44 ASP N N 124.8 . 1 208 64 45 GLU C C 176.1 . 1 209 64 45 GLU CA C 54.5 . 1 210 64 45 GLU CB C 32.8 . 1 211 64 45 GLU CG C 36.9 . 1 212 64 45 GLU N N 119.0 . 1 213 65 46 ALA C C 177.6 . 1 214 65 46 ALA CA C 50.4 . 1 215 65 46 ALA CB C 15.3 . 1 216 65 46 ALA N N 124.9 . 1 217 66 47 LYS C C 176.5 . 1 218 66 47 LYS CA C 54.3 . 1 219 66 47 LYS CB C 32.2 . 1 220 66 47 LYS CG C 24.3 . 1 221 66 47 LYS CD C 28.5 . 1 222 66 47 LYS CE C 40.2 . 1 223 66 47 LYS N N 123.2 . 1 224 67 48 GLY C C 172.2 . 1 225 67 48 GLY CA C 43.8 . 1 226 67 48 GLY N N 109.0 . 1 227 68 49 LYS C C 175.9 . 1 228 68 49 LYS CA C 56.0 . 1 229 68 49 LYS CB C 36.5 . 1 230 68 49 LYS CG C 24.9 . 1 231 68 49 LYS CD C 28.4 . 1 232 68 49 LYS CE C 42.1 . 1 233 68 49 LYS N N 116.3 . 1 234 69 50 ASN C C 173.3 . 1 235 69 50 ASN CA C 53.2 . 1 236 69 50 ASN CB C 40.0 . 1 237 69 50 ASN N N 116.9 . 1 238 70 51 ASP C C 178.2 . 1 239 70 51 ASP CA C 52.6 . 1 240 70 51 ASP CB C 40.5 . 1 241 70 51 ASP CG C 181.8 . 1 242 70 51 ASP N N 119.0 . 1 243 71 52 GLY C C 174.0 . 1 244 71 52 GLY CA C 43.3 . 1 245 71 52 GLY N N 110.7 . 1 246 72 53 THR C C 174.3 . 1 247 72 53 THR CA C 61.1 . 1 248 72 53 THR CB C 70.6 . 1 249 72 53 THR CG2 C 21.7 . 1 250 72 53 THR N N 117.5 . 1 251 73 54 VAL C C 176.4 . 1 252 73 54 VAL CA C 61.2 . 1 253 73 54 VAL CB C 35.6 . 1 254 73 54 VAL CG1 C 22.0 . . 255 73 54 VAL CG2 C 21.0 . . 256 73 54 VAL N N 122.7 . 1 257 74 55 GLN C C 175.4 . 1 258 74 55 GLN CA C 56.0 . 1 259 74 55 GLN CB C 25.9 . 1 260 74 55 GLN CG C 31.4 . 1 261 74 55 GLN CD C 176.3 . 1 262 74 55 GLN N N 130.8 . 1 263 75 56 GLY C C 172.7 . 1 264 75 56 GLY CA C 44.9 . 1 265 75 56 GLY N N 103.6 . 1 266 76 57 ARG C C 172.9 . 1 267 76 57 ARG CA C 52.7 . 1 268 76 57 ARG CB C 32.2 . 1 269 76 57 ARG CG C 28.1 . 1 270 76 57 ARG CD C 42.2 . 1 271 76 57 ARG N N 121.9 . 1 272 77 58 LYS C C 176.1 . 1 273 77 58 LYS CA C 55.5 . 1 274 77 58 LYS CB C 32.1 . 1 275 77 58 LYS CG C 24.7 . 1 276 77 58 LYS CD C 28.9 . 1 277 77 58 LYS CE C 42.5 . 1 278 77 58 LYS N N 127.3 . 1 279 78 59 TYR C C 174.5 . 1 280 78 59 TYR CA C 60.5 . 1 281 78 59 TYR CB C 39.0 . 1 282 78 59 TYR CG C 130.5 . 1 283 78 59 TYR N N 127.1 . 1 284 79 60 PHE C C 172.6 . 1 285 79 60 PHE CA C 55.3 . 1 286 79 60 PHE CB C 37.9 . 1 287 79 60 PHE CG C 137.5 . 1 288 79 60 PHE CD1 C 132.2 . . 289 79 60 PHE CE1 C 130.7 . . 290 79 60 PHE CZ C 129.9 . 1 291 79 60 PHE N N 113.7 . 1 292 80 61 THR C C 172.4 . 1 293 80 61 THR CA C 62.2 . 1 294 80 61 THR CB C 70.7 . 1 295 80 61 THR CG2 C 20.9 . 1 296 80 61 THR N N 115.0 . 1 297 81 62 CYS C C 172.0 . 1 298 81 62 CYS CA C 55.6 . 1 299 81 62 CYS CB C 32.0 . 1 300 81 62 CYS N N 120.8 . 1 301 82 63 ASP C C 176.1 . 1 302 82 63 ASP CA C 54.0 . 1 303 82 63 ASP CB C 40.4 . 1 304 82 63 ASP N N 118.0 . 1 305 83 64 GLU C C 177.4 . 1 306 83 64 GLU CA C 57.9 . 1 307 83 64 GLU CB C 29.4 . 1 308 83 64 GLU CG C 36.8 . 1 309 83 64 GLU CD C 183.8 . 1 310 83 64 GLU N N 121.5 . 1 311 84 65 GLY C C 173.7 . 1 312 84 65 GLY CA C 45.0 . 1 313 84 65 GLY N N 111.6 . 1 314 85 66 HIS C C 173.5 . 1 315 85 66 HIS CA C 55.6 . 1 316 85 66 HIS CB C 28.7 . 1 317 85 66 HIS N N 113.8 . 1 318 86 67 GLY C C 173.6 . 1 319 86 67 GLY CA C 44.9 . 1 320 86 67 GLY N N 112.8 . 1 321 87 68 ILE CA C 60.5 . 1 322 87 68 ILE CB C 43.0 . 1 323 87 68 ILE CG1 C 25.7 . 1 324 87 68 ILE CG2 C 19.7 . 1 325 87 68 ILE CD1 C 14.8 . 1 326 87 68 ILE N N 119.2 . 1 327 88 69 PHE C C 175.3 . 1 328 88 69 PHE CA C 57.6 . 1 329 88 69 PHE CB C 42.2 . 1 330 88 69 PHE CG C 141.6 . 1 331 88 69 PHE N N 122.6 . 1 332 89 70 VAL C C 175.0 . 1 333 89 70 VAL CA C 58.6 . 1 334 89 70 VAL CB C 36.5 . 1 335 89 70 VAL CG1 C 22.8 . . 336 89 70 VAL CG2 C 18.4 . . 337 89 70 VAL N N 115.2 . 1 338 90 71 ARG C C 178.6 . 1 339 90 71 ARG CA C 53.1 . 1 340 90 71 ARG CB C 31.7 . 1 341 90 71 ARG CD C 40.0 . 1 342 90 71 ARG N N 117.9 . 1 343 91 72 GLN C C 176.4 . 1 344 91 72 GLN CA C 59.1 . 1 345 91 72 GLN CB C 27.2 . 1 346 91 72 GLN N N 123.2 . 1 347 92 73 SER C C 175.5 . 1 348 92 73 SER CA C 59.4 . 1 349 92 73 SER CB C 62.6 . 1 350 92 73 SER N N 111.1 . 1 351 93 74 GLN C C 175.2 . 1 352 93 74 GLN CA C 56.2 . 1 353 93 74 GLN CB C 31.5 . 1 354 93 74 GLN CG C 36.6 . 1 355 93 74 GLN N N 118.3 . 1 356 94 75 ILE C C 173.7 . 1 357 94 75 ILE CA C 57.9 . 1 358 94 75 ILE CB C 43.4 . 1 359 94 75 ILE CG1 C 24.7 . 1 360 94 75 ILE CG2 C 19.7 . 1 361 94 75 ILE CD1 C 15.1 . 1 362 94 75 ILE N N 113.6 . 1 363 95 76 GLN CA C 54.7 . 1 364 95 76 GLN CB C 33.2 . 1 365 95 76 GLN N N 118.8 . 1 366 96 77 VAL C C 175.3 . 1 367 96 77 VAL CA C 62.3 . 1 368 96 77 VAL CB C 31.9 . 1 369 96 77 VAL CG1 C 21.9 . . 370 96 77 VAL CG2 C 20.7 . . 371 96 77 VAL N N 125.5 . 1 372 97 78 PHE C C 174.8 . 1 373 97 78 PHE CA C 56.7 . 1 374 97 78 PHE CB C 40.0 . 1 375 97 78 PHE N N 125.6 . 1 376 98 79 GLU C C 175.3 . 1 377 98 79 GLU CA C 54.9 . 1 378 98 79 GLU CB C 32.9 . 1 379 98 79 GLU N N 122.4 . 1 380 99 80 ASP C C 176.7 . 1 381 99 80 ASP CA C 55.2 . 1 382 99 80 ASP CB C 41.9 . 1 383 99 80 ASP N N 123.1 . 1 384 100 81 GLY C C 171.9 . 1 385 100 81 GLY CA C 45.6 . 1 386 100 81 GLY N N 110.1 . 1 387 101 82 ALA C C 176.4 . 1 388 101 82 ALA CA C 50.7 . 1 389 101 82 ALA CB C 19.8 . 1 390 101 82 ALA N N 123.3 . 1 391 102 83 ASP C C 176.7 . 1 392 102 83 ASP CA C 55.0 . 1 393 102 83 ASP CB C 40.6 . 1 394 102 83 ASP CG C 175.7 . 1 395 102 83 ASP N N 119.1 . 1 396 103 84 THR C C 175.1 . 1 397 103 84 THR CA C 61.1 . 1 398 103 84 THR CB C 70.0 . 1 399 103 84 THR CG2 C 22.0 . 1 400 103 84 THR N N 114.6 . 1 401 104 85 THR C C 175.1 . 1 402 104 85 THR CA C 61.7 . 1 403 104 85 THR CB C 70.7 . 1 404 104 85 THR N N 116.2 . 1 405 105 86 SER C C 172.4 . 1 406 105 86 SER CA C 61.1 . 1 407 105 86 SER CB C 63.4 . 1 408 105 86 SER N N 119.5 . 1 409 106 87 PRO C C 176.3 . 1 410 106 87 PRO CA C 62.7 . 1 411 106 87 PRO CB C 32.4 . 1 412 107 88 GLU N N 125.7 . 1 stop_ save_