data_19025 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solid-state Chemical Shift Assignments for CAP-Gly Domain of Mammalian at 19.9 T ; _BMRB_accession_number 19025 _BMRB_flat_file_name bmr19025.str _Entry_type original _Submission_date 2013-02-11 _Accession_date 2013-02-11 _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 . . 2 Hou Guangjin . . 3 Schwieters Charles D. . 4 Ahmed Shubbir . . 5 Williams John C. . 6 Polenova Tatyana . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 542 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-16 update BMRB 'update entry authors' 2013-10-29 update BMRB 'update entry citation' 2013-05-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17937 ; This current entry contains the chemical shift assignments determined by using a different instrument and references, for the same CAP-Gly domain. The NMR experiments and assignment process are completely independent from the former deposition. ; stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Three-Dimensional Structure of CAP-Gly Domain of Mammalian Dynactin Determined by Magic Angle Spinning NMR Spectroscopy: Conformational Plasticity and Interactions with End-Binding Protein EB1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23648839 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yan Si . . 2 Hou Guangjin . . 3 Schwieters Charles D. . 4 Ahmed Shubbir . . 5 Williams John C. . 6 Polenova Tatyana . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4249 _Page_last 4266 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CAP-Gly monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CAP-Gly $CAP-Gly stop_ _System_molecular_weight 9530 _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 9530 _Mol_thiol_state 'all free' loop_ _Biological_function 'Motor protein associated with microtubules' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; STEASARPLRVGSRVEVIGK GHRGTVAYVGATLFATGKWV GVILDEAKGKNDGTVQGRKY FTCDEGHGIFVRQSQIQVFE DGADTTSPE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 20 SER 2 21 THR 3 22 GLU 4 23 ALA 5 25 SER 6 24 ALA 7 25 ARG 8 26 PRO 9 27 LEU 10 28 ARG 11 29 VAL 12 30 GLY 13 31 SER 14 32 ARG 15 33 VAL 16 34 GLU 17 35 VAL 18 36 ILE 19 37 GLY 20 38 LYS 21 39 GLY 22 40 HIS 23 41 ARG 24 42 GLY 25 43 THR 26 44 VAL 27 45 ALA 28 46 TYR 29 47 VAL 30 48 GLY 31 49 ALA 32 50 THR 33 51 LEU 34 52 PHE 35 53 ALA 36 54 THR 37 55 GLY 38 56 LYS 39 57 TRP 40 58 VAL 41 59 GLY 42 60 VAL 43 61 ILE 44 62 LEU 45 63 ASP 46 64 GLU 47 65 ALA 48 66 LYS 49 67 GLY 50 68 LYS 51 69 ASN 52 70 ASP 53 71 GLY 54 72 THR 55 73 VAL 56 74 GLN 57 75 GLY 58 76 ARG 59 77 LYS 60 78 TYR 61 79 PHE 62 80 THR 63 81 CYS 64 82 ASP 65 83 GLU 66 84 GLY 67 85 HIS 68 86 GLY 69 87 ILE 70 88 PHE 71 89 VAL 72 90 ARG 73 91 GLN 74 92 SER 75 93 GLN 76 94 ILE 77 95 GLN 78 96 VAL 79 97 PHE 80 98 GLU 81 99 ASP 82 100 GLY 83 101 ALA 84 102 ASP 85 103 THR 86 104 THR 87 105 SER 88 106 PRO 89 107 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17937 CAP-Gly 98.88 88 100.00 100.00 9.76e-56 BMRB 17938 CAP-Gly 98.88 88 100.00 100.00 9.76e-56 BMRB 19031 CAP-Gly 100.00 89 100.00 100.00 2.00e-56 BMRB 25005 CAP-Gly 100.00 89 100.00 100.00 2.00e-56 PDB 1TXQ "Crystal Structure Of The Eb1 C-Terminal Domain Complexed With The Cap-Gly Domain Of P150glued" 100.00 93 98.88 98.88 7.72e-56 PDB 2HKN "Crystal Structure Of The Cap-Gly Domain Of Human Dynactin-1 (P150- Glued)" 100.00 97 98.88 98.88 1.00e-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)" 100.00 97 98.88 98.88 1.00e-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" 100.00 97 97.75 97.75 3.78e-55 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" 100.00 97 97.75 97.75 3.78e-55 PDB 2HQH "Crystal Structure Of P150glued And Clip-170" 100.00 93 98.88 98.88 7.72e-56 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 2.00e-56 PDB 2MPX "Three-dimensional Structure Of Cap-gly Domain Assembled On Microtubules Determined By Mas Nmr Spectroscopy" 78.65 70 100.00 100.00 6.36e-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" 100.00 97 98.88 98.88 1.00e-55 PDB 3TQ7 "Eb1cEB3C HETERODIMER IN COMPLEX WITH THE CAP-Gly Domain Of P150glued" 79.78 71 98.59 98.59 1.25e-41 DBJ BAE34241 "unnamed protein product [Mus musculus]" 100.00 1243 100.00 100.00 7.64e-52 DBJ BAE37079 "unnamed protein product [Mus musculus]" 100.00 395 100.00 100.00 5.84e-57 DBJ BAE42418 "unnamed protein product [Mus musculus]" 100.00 1239 100.00 100.00 1.22e-51 DBJ BAE42912 "unnamed protein product [Mus musculus]" 100.00 1239 100.00 100.00 9.78e-52 DBJ BAE87998 "unnamed protein product [Macaca fascicularis]" 100.00 409 98.88 98.88 6.18e-56 EMBL CAA44091 "150K dynein-associated polypeptide [Rattus norvegicus]" 100.00 1280 100.00 100.00 1.18e-51 EMBL CAA67333 "dynactin [Homo sapiens]" 100.00 1263 98.88 98.88 5.98e-51 EMBL CAE45882 "hypothetical protein [Homo sapiens]" 100.00 1278 98.88 98.88 8.70e-51 EMBL CAH10572 "hypothetical protein [Homo sapiens]" 100.00 890 98.88 98.88 2.49e-51 EMBL CAH10575 "hypothetical protein [Homo sapiens]" 100.00 890 98.88 98.88 2.62e-51 GB AAB57773 "dynactin1 [Mus musculus]" 100.00 1281 100.00 100.00 1.94e-51 GB AAD03694 "dynactin 1 [Homo sapiens]" 100.00 1261 98.88 98.88 5.79e-51 GB AAD55811 "dynactin 1 p150 isoform [Homo sapiens]" 100.00 1278 98.88 98.88 7.89e-51 GB AAH66061 "Dctn1 protein [Mus musculus]" 100.00 1264 98.88 98.88 4.06e-50 GB AAI42510 "DCTN1 protein [Bos taurus]" 100.00 1239 98.88 98.88 4.49e-51 REF NP_001092404 "dynactin subunit 1 [Bos taurus]" 100.00 1239 98.88 98.88 4.49e-51 REF NP_001127253 "dynactin subunit 1 [Pongo abelii]" 66.29 233 100.00 100.00 5.34e-35 REF NP_001128512 "dynactin subunit 1 isoform 3 [Homo sapiens]" 100.00 1253 98.88 98.88 4.60e-51 REF NP_001177765 "dynactin subunit 1 isoform 5 [Homo sapiens]" 100.00 1236 98.88 98.88 4.47e-51 REF NP_001177766 "dynactin subunit 1 isoform 6 [Homo sapiens]" 100.00 1271 98.88 98.88 6.48e-51 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 1.85e-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 1.18e-51 SP Q14203 "RecName: Full=Dynactin subunit 1; AltName: Full=150 kDa dynein-associated polypeptide; AltName: Full=DAP-150; Short=DP-150; Alt" 100.00 1278 98.88 98.88 7.89e-51 TPG DAA24857 "TPA: dynactin 1 [Bos taurus]" 100.00 1239 98.88 98.88 4.49e-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 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 'Sample was precipitated by 30% PEG-3350.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CAP-Gly 24.4 mg '[U-13C; U-15N]' H2O 100 % 'natural abundance' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DARR' _Sample_label $sample_1 save_ save_2D_NCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $sample_1 save_ save_3D_NCACX_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_3D_CANCX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANCX' _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 277 . 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 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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 '2D DARR' '2D NCA' '3D NCACX' '3D NCOCX' '3D CANCX' 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 26 8 PRO CG C 27.77 0.10 1 2 26 8 PRO CD C 50.89 0.10 1 3 27 9 LEU C C 175.81 0.10 1 4 27 9 LEU CA C 55.47 0.10 1 5 27 9 LEU CB C 43.51 0.10 1 6 27 9 LEU N N 122.69 0.10 1 7 28 10 ARG C C 175.67 0.10 1 8 28 10 ARG CA C 54.01 0.09 1 9 28 10 ARG CB C 31.22 0.24 1 10 28 10 ARG N N 122.39 0.10 1 11 29 11 VAL C C 177.62 0.04 1 12 29 11 VAL CA C 66.35 0.08 1 13 29 11 VAL CB C 31.16 0.05 1 14 29 11 VAL CG1 C 22.95 0.09 2 15 29 11 VAL CG2 C 21.62 0.01 2 16 29 11 VAL N N 121.61 0.06 1 17 30 12 GLY C C 174.61 0.10 1 18 30 12 GLY CA C 45.23 0.07 1 19 30 12 GLY N N 117.22 0.06 1 20 31 13 SER C C 173.27 0.05 1 21 31 13 SER CA C 61.84 0.07 1 22 31 13 SER CB C 63.83 0.04 1 23 31 13 SER N N 119.06 0.01 1 24 32 14 ARG C C 176.27 0.03 1 25 32 14 ARG CA C 53.17 0.13 1 26 32 14 ARG CB C 29.53 0.17 1 27 32 14 ARG CG C 28.03 0.10 1 28 32 14 ARG CD C 41.27 0.10 1 29 32 14 ARG N N 125.45 0.11 1 30 33 15 VAL C C 174.33 0.11 1 31 33 15 VAL CA C 58.11 0.05 1 32 33 15 VAL CB C 37.80 0.07 1 33 33 15 VAL CG1 C 23.18 0.01 2 34 33 15 VAL CG2 C 18.23 0.03 2 35 33 15 VAL N N 112.33 0.05 1 36 34 16 GLU C C 176.09 0.01 1 37 34 16 GLU CA C 53.82 0.17 1 38 34 16 GLU CB C 34.26 0.07 1 39 34 16 GLU N N 118.46 0.13 1 40 35 17 VAL C C 176.18 0.08 1 41 35 17 VAL CA C 63.16 0.15 1 42 35 17 VAL CB C 32.06 0.28 1 43 35 17 VAL CG1 C 22.18 0.06 2 44 35 17 VAL CG2 C 21.14 0.18 2 45 35 17 VAL N N 124.99 0.15 1 46 36 18 ILE C C 178.30 0.18 1 47 36 18 ILE CA C 64.23 0.13 1 48 36 18 ILE CB C 38.38 0.07 1 49 36 18 ILE CG1 C 29.15 0.07 1 50 36 18 ILE CG2 C 17.12 0.05 1 51 36 18 ILE CD1 C 14.11 0.14 1 52 36 18 ILE N N 132.31 0.19 1 53 37 19 GLY C C 174.61 0.20 1 54 37 19 GLY CA C 45.66 0.21 1 55 37 19 GLY N N 117.58 0.21 1 56 38 20 LYS C C 177.59 0.01 1 57 38 20 LYS CA C 55.80 0.30 1 58 38 20 LYS CB C 34.73 0.14 1 59 38 20 LYS N N 116.97 0.09 1 60 39 21 GLY C C 173.86 0.16 1 61 39 21 GLY CA C 45.82 0.09 1 62 39 21 GLY N N 105.71 0.01 1 63 40 22 HIS C C 175.51 0.10 1 64 40 22 HIS CA C 55.26 0.08 1 65 40 22 HIS CB C 32.21 0.15 1 66 40 22 HIS CG C 136.07 0.10 1 67 40 22 HIS N N 116.73 0.07 1 68 41 23 ARG C C 177.59 0.01 1 69 41 23 ARG CA C 55.23 0.10 1 70 41 23 ARG CB C 32.60 0.14 1 71 41 23 ARG CG C 28.66 0.10 1 72 41 23 ARG N N 122.83 0.05 1 73 42 24 GLY C C 171.07 0.16 1 74 42 24 GLY CA C 47.25 0.09 1 75 42 24 GLY N N 107.51 0.04 1 76 43 25 THR C C 174.66 0.06 1 77 43 25 THR CA C 60.65 0.16 1 78 43 25 THR CB C 71.40 0.02 1 79 43 25 THR CG2 C 22.96 0.18 1 80 43 25 THR N N 116.95 0.21 1 81 44 26 VAL C C 176.01 0.09 1 82 44 26 VAL CA C 65.22 0.04 1 83 44 26 VAL CB C 31.67 0.03 1 84 44 26 VAL CG1 C 24.24 0.08 2 85 44 26 VAL CG2 C 23.16 0.15 2 86 44 26 VAL N N 127.88 0.14 1 87 45 27 ALA C C 176.28 0.15 1 88 45 27 ALA CA C 51.69 0.09 1 89 45 27 ALA CB C 22.01 0.05 1 90 45 27 ALA N N 131.89 0.06 1 91 46 28 TYR C C 173.21 0.06 1 92 46 28 TYR CA C 58.72 0.03 1 93 46 28 TYR CB C 43.41 0.03 1 94 46 28 TYR CG C 128.65 0.10 1 95 46 28 TYR CD1 C 132.25 0.10 1 96 46 28 TYR CD2 C 135.11 0.10 1 97 46 28 TYR N N 120.22 0.07 1 98 47 29 VAL C C 174.75 0.02 1 99 47 29 VAL CA C 61.82 0.02 1 100 47 29 VAL CB C 35.54 0.01 1 101 47 29 VAL CG1 C 21.72 0.01 2 102 47 29 VAL N N 128.29 0.08 1 103 48 30 GLY C C 172.10 0.02 1 104 48 30 GLY CA C 45.39 0.02 1 105 48 30 GLY N N 113.20 0.11 1 106 49 31 ALA C C 178.70 0.13 1 107 49 31 ALA CA C 51.84 0.05 1 108 49 31 ALA CB C 20.53 0.04 1 109 49 31 ALA N N 123.77 0.05 1 110 50 32 THR C C 173.50 0.08 1 111 50 32 THR CA C 59.60 0.03 1 112 50 32 THR CB C 72.52 0.09 1 113 50 32 THR CG2 C 22.23 0.12 1 114 50 32 THR N N 112.42 0.06 1 115 51 33 LEU C C 177.80 0.09 1 116 51 33 LEU CA C 54.73 0.17 1 117 51 33 LEU CB C 41.83 0.30 1 118 51 33 LEU CG C 27.62 0.01 1 119 51 33 LEU N N 113.03 0.16 1 120 52 34 PHE C C 174.56 0.14 1 121 52 34 PHE CA C 56.37 0.19 1 122 52 34 PHE CB C 38.73 0.08 1 123 52 34 PHE CG C 138.03 0.10 1 124 52 34 PHE CD1 C 132.35 0.10 1 125 52 34 PHE N N 111.44 0.23 1 126 53 35 ALA C C 176.33 0.04 1 127 53 35 ALA CA C 52.14 0.08 1 128 53 35 ALA CB C 22.59 0.06 1 129 53 35 ALA N N 123.08 0.02 1 130 54 36 THR C C 176.64 0.06 1 131 54 36 THR CA C 62.18 0.05 1 132 54 36 THR CB C 71.07 0.04 1 133 54 36 THR CG2 C 22.31 0.05 1 134 54 36 THR N N 110.25 0.09 1 135 55 37 GLY C C 172.50 0.04 1 136 55 37 GLY CA C 45.33 0.15 1 137 55 37 GLY N N 109.16 0.05 1 138 56 38 LYS C C 176.60 0.12 1 139 56 38 LYS CA C 57.03 0.04 1 140 56 38 LYS CB C 33.73 0.10 1 141 56 38 LYS CG C 25.53 0.09 1 142 56 38 LYS N N 121.46 0.09 1 143 57 39 TRP C C 173.96 0.03 1 144 57 39 TRP CA C 56.86 0.06 1 145 57 39 TRP CB C 34.23 0.13 1 146 57 39 TRP CG C 111.89 0.10 1 147 57 39 TRP CD1 C 127.07 0.10 1 148 57 39 TRP N N 130.11 0.20 1 149 58 40 VAL C C 176.43 0.06 1 150 58 40 VAL CA C 61.01 0.05 1 151 58 40 VAL CB C 33.41 0.06 1 152 58 40 VAL CG1 C 23.75 0.03 2 153 58 40 VAL CG2 C 20.82 0.05 2 154 58 40 VAL N N 119.65 0.06 1 155 59 41 GLY C C 172.33 0.03 1 156 59 41 GLY CA C 45.88 0.04 1 157 59 41 GLY N N 115.70 0.04 1 158 60 42 VAL C C 173.36 0.04 1 159 60 42 VAL CA C 60.72 0.03 1 160 60 42 VAL CB C 35.12 0.04 1 161 60 42 VAL CG1 C 22.69 0.03 2 162 60 42 VAL CG2 C 21.68 0.01 2 163 60 42 VAL N N 128.40 0.02 1 164 61 43 ILE C C 177.79 0.05 1 165 61 43 ILE CA C 60.63 0.04 1 166 61 43 ILE CB C 38.88 0.04 1 167 61 43 ILE CG1 C 28.36 0.02 1 168 61 43 ILE CG2 C 17.95 0.04 1 169 61 43 ILE CD1 C 14.77 0.06 1 170 61 43 ILE N N 124.69 0.04 1 171 62 44 LEU C C 177.92 0.03 1 172 62 44 LEU CA C 55.61 0.20 1 173 62 44 LEU CB C 41.67 0.06 1 174 62 44 LEU CG C 26.93 0.03 1 175 62 44 LEU CD1 C 22.39 0.06 2 176 62 44 LEU N N 133.06 0.04 1 177 63 45 ASP C C 177.87 0.09 1 178 63 45 ASP CA C 57.44 0.09 1 179 63 45 ASP CB C 40.08 0.05 1 180 63 45 ASP CG C 180.07 0.06 1 181 63 45 ASP N N 125.11 0.03 1 182 64 46 GLU C C 176.81 0.09 1 183 64 46 GLU CA C 54.38 0.17 1 184 64 46 GLU CB C 32.96 0.22 1 185 64 46 GLU CG C 37.16 0.18 1 186 64 46 GLU CD C 179.98 0.10 1 187 64 46 GLU N N 118.09 0.17 1 188 65 47 ALA C C 178.01 0.11 1 189 65 47 ALA CA C 51.11 0.06 1 190 65 47 ALA CB C 15.75 0.04 1 191 65 47 ALA N N 125.05 0.10 1 192 66 48 LYS C C 176.33 0.06 1 193 66 48 LYS CA C 53.79 0.22 1 194 66 48 LYS CB C 33.38 0.09 1 195 66 48 LYS CG C 25.47 0.18 1 196 66 48 LYS N N 122.67 0.03 1 197 67 49 GLY C C 172.93 0.09 1 198 67 49 GLY CA C 44.41 0.08 1 199 67 49 GLY N N 109.20 0.03 1 200 68 50 LYS C C 175.84 0.14 1 201 68 50 LYS CA C 56.19 0.04 1 202 68 50 LYS CB C 37.24 0.17 1 203 68 50 LYS CG C 25.34 0.15 1 204 68 50 LYS CD C 29.10 0.12 1 205 68 50 LYS CE C 42.46 0.10 1 206 68 50 LYS N N 116.29 0.13 1 207 69 51 ASN C C 173.42 0.13 1 208 69 51 ASN CA C 53.43 0.12 1 209 69 51 ASN CB C 40.82 0.12 1 210 69 51 ASN N N 117.30 0.20 1 211 70 52 ASP C C 178.13 0.03 1 212 70 52 ASP CA C 53.13 0.06 1 213 70 52 ASP CB C 41.00 0.15 1 214 70 52 ASP CG C 182.03 0.02 1 215 70 52 ASP N N 119.00 0.02 1 216 71 53 GLY C C 174.38 0.30 1 217 71 53 GLY CA C 43.47 0.13 1 218 71 53 GLY N N 110.99 0.21 1 219 72 54 THR C C 174.69 0.02 1 220 72 54 THR CA C 61.61 0.09 1 221 72 54 THR CB C 69.35 0.11 1 222 72 54 THR CG2 C 20.22 0.09 1 223 72 54 THR N N 118.00 0.12 1 224 73 55 VAL C C 176.84 0.03 1 225 73 55 VAL CA C 61.71 0.05 1 226 73 55 VAL CB C 36.43 0.07 1 227 73 55 VAL CG1 C 22.20 0.16 2 228 73 55 VAL CG2 C 21.52 0.05 2 229 73 55 VAL N N 123.29 0.17 1 230 74 56 GLN C C 176.11 0.07 1 231 74 56 GLN CA C 56.88 0.06 1 232 74 56 GLN CB C 26.98 0.04 1 233 74 56 GLN CG C 34.39 0.25 1 234 74 56 GLN CD C 176.31 0.10 1 235 74 56 GLN N N 130.21 0.11 1 236 75 57 GLY C C 173.01 0.20 1 237 75 57 GLY CA C 45.72 0.06 1 238 75 57 GLY N N 103.65 0.10 1 239 76 58 ARG C C 172.85 0.10 1 240 76 58 ARG CA C 53.84 0.19 1 241 76 58 ARG CB C 30.63 0.10 1 242 76 58 ARG N N 122.07 0.12 1 243 77 59 LYS C C 176.04 0.12 1 244 77 59 LYS CA C 56.55 0.04 1 245 77 59 LYS CB C 32.72 0.11 1 246 77 59 LYS CG C 24.45 0.16 1 247 77 59 LYS CD C 29.48 0.01 1 248 77 59 LYS N N 128.26 0.26 1 249 78 60 TYR C C 175.16 0.12 1 250 78 60 TYR CA C 60.53 0.11 1 251 78 60 TYR CB C 39.42 0.30 1 252 78 60 TYR N N 127.69 0.30 1 253 79 61 PHE C C 172.50 0.04 1 254 79 61 PHE CA C 56.04 0.09 1 255 79 61 PHE CB C 38.79 0.03 1 256 79 61 PHE N N 114.21 0.12 1 257 80 62 THR C C 172.78 0.07 1 258 80 62 THR CA C 62.82 0.03 1 259 80 62 THR CB C 71.34 0.03 1 260 80 62 THR CG2 C 21.53 0.04 1 261 80 62 THR N N 115.34 0.05 1 262 81 63 CYS C C 172.33 0.03 1 263 81 63 CYS CA C 56.21 0.04 1 264 81 63 CYS CB C 32.33 0.06 1 265 81 63 CYS N N 120.70 0.03 1 266 82 64 ASP C C 176.72 0.04 1 267 82 64 ASP CA C 54.71 0.04 1 268 82 64 ASP CB C 41.31 0.03 1 269 82 64 ASP N N 118.44 0.05 1 270 83 65 GLU C C 177.91 0.02 1 271 83 65 GLU CA C 58.43 0.06 1 272 83 65 GLU CB C 29.94 0.06 1 273 83 65 GLU CG C 36.05 0.08 1 274 83 65 GLU CD C 183.77 0.10 1 275 83 65 GLU N N 121.23 0.09 1 276 84 66 GLY C C 174.55 0.13 1 277 84 66 GLY CA C 45.51 0.05 1 278 84 66 GLY N N 112.19 0.29 1 279 85 67 HIS C C 174.19 0.08 1 280 85 67 HIS CA C 56.66 0.06 1 281 85 67 HIS CB C 29.48 0.10 1 282 85 67 HIS CG C 132.53 0.26 1 283 85 67 HIS N N 113.93 0.07 1 284 86 68 GLY C C 174.58 0.21 1 285 86 68 GLY CA C 45.66 0.05 1 286 86 68 GLY N N 112.30 0.02 1 287 87 69 ILE C C 172.70 0.10 1 288 87 69 ILE CA C 60.61 0.06 1 289 87 69 ILE CB C 43.82 0.01 1 290 87 69 ILE CG1 C 27.21 0.17 1 291 87 69 ILE CG2 C 19.17 0.10 1 292 87 69 ILE CD1 C 14.80 0.10 1 293 87 69 ILE N N 118.46 0.04 1 294 88 70 PHE C C 175.78 0.09 1 295 88 70 PHE CA C 58.04 0.09 1 296 88 70 PHE CB C 42.31 0.23 1 297 88 70 PHE N N 122.47 0.20 1 298 89 71 VAL C C 175.69 0.04 1 299 89 71 VAL CA C 59.08 0.05 1 300 89 71 VAL CB C 37.05 0.11 1 301 89 71 VAL CG1 C 23.66 0.01 2 302 89 71 VAL CG2 C 19.04 0.05 2 303 89 71 VAL N N 114.84 0.12 1 304 90 72 ARG C C 179.07 0.08 1 305 90 72 ARG CA C 53.42 0.11 1 306 90 72 ARG CB C 31.66 0.08 1 307 90 72 ARG CG C 25.51 0.02 1 308 90 72 ARG CD C 42.25 0.08 1 309 90 72 ARG N N 117.65 0.10 1 310 91 73 GLN C C 176.70 0.07 1 311 91 73 GLN CA C 59.72 0.07 1 312 91 73 GLN CB C 28.07 0.15 1 313 91 73 GLN CG C 34.04 0.05 1 314 91 73 GLN CD C 179.18 0.13 1 315 91 73 GLN N N 122.57 0.10 1 316 92 74 SER C C 175.94 0.04 1 317 92 74 SER CA C 59.66 0.10 1 318 92 74 SER CB C 62.87 0.04 1 319 92 74 SER N N 109.71 0.06 1 320 93 75 GLN C C 176.09 0.27 1 321 93 75 GLN CA C 56.76 0.15 1 322 93 75 GLN CB C 31.42 0.08 1 323 93 75 GLN CG C 36.65 0.11 1 324 93 75 GLN N N 117.98 0.20 1 325 94 76 ILE C C 173.85 0.25 1 326 94 76 ILE CA C 58.43 0.02 1 327 94 76 ILE CB C 43.63 0.09 1 328 94 76 ILE CG1 C 25.02 0.06 1 329 94 76 ILE CG2 C 20.18 0.03 1 330 94 76 ILE N N 112.97 0.25 1 331 95 77 GLN C C 175.00 0.20 1 332 95 77 GLN CA C 53.80 0.17 1 333 95 77 GLN CB C 33.62 0.10 1 334 95 77 GLN N N 118.57 0.10 1 335 96 78 VAL C C 176.00 0.20 1 336 96 78 VAL CA C 63.04 0.19 1 337 96 78 VAL CB C 32.58 0.35 1 338 96 78 VAL CG1 C 21.18 0.20 2 339 96 78 VAL N N 126.73 0.17 1 340 97 79 PHE CA C 57.36 0.20 1 341 97 79 PHE CB C 40.08 0.10 1 342 97 79 PHE N N 124.97 0.18 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'The chemical shifts in this list are almost the same with the list_1, except for the chemical shifts of residue T43, V44 and A45. We found two sets of peaks for these residues, so we report them separately.' loop_ _Experiment_label '2D DARR' '2D NCA' '3D NCACX' '3D NCOCX' '3D CANCX' 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 26 8 PRO CG C 27.77 0.10 1 2 26 8 PRO CD C 50.89 0.10 1 3 27 9 LEU C C 175.81 0.10 1 4 27 9 LEU CA C 55.47 0.10 1 5 27 9 LEU CB C 43.51 0.10 1 6 27 9 LEU N N 122.69 0.10 1 7 28 10 ARG C C 175.67 0.10 1 8 28 10 ARG CA C 54.01 0.09 1 9 28 10 ARG CB C 31.22 0.24 1 10 28 10 ARG N N 122.39 0.10 1 11 29 11 VAL C C 177.62 0.04 1 12 29 11 VAL CA C 66.35 0.08 1 13 29 11 VAL CB C 31.16 0.05 1 14 29 11 VAL CG1 C 22.95 0.09 2 15 29 11 VAL CG2 C 21.62 0.01 2 16 29 11 VAL N N 121.61 0.06 1 17 30 12 GLY C C 174.61 0.10 1 18 30 12 GLY CA C 45.23 0.07 1 19 30 12 GLY N N 117.22 0.06 1 20 31 13 SER C C 173.27 0.05 1 21 31 13 SER CA C 61.84 0.07 1 22 31 13 SER CB C 63.83 0.04 1 23 31 13 SER N N 119.06 0.01 1 24 32 14 ARG C C 176.27 0.03 1 25 32 14 ARG CA C 53.17 0.13 1 26 32 14 ARG CB C 29.53 0.17 1 27 32 14 ARG CG C 28.03 0.10 1 28 32 14 ARG CD C 41.27 0.10 1 29 32 14 ARG N N 125.45 0.11 1 30 33 15 VAL C C 174.33 0.11 1 31 33 15 VAL CA C 58.11 0.05 1 32 33 15 VAL CB C 37.80 0.07 1 33 33 15 VAL CG1 C 23.18 0.01 2 34 33 15 VAL CG2 C 18.23 0.03 2 35 33 15 VAL N N 112.33 0.05 1 36 34 16 GLU C C 176.09 0.01 1 37 34 16 GLU CA C 53.82 0.17 1 38 34 16 GLU CB C 34.26 0.07 1 39 34 16 GLU N N 118.46 0.13 1 40 35 17 VAL C C 176.18 0.08 1 41 35 17 VAL CA C 63.16 0.15 1 42 35 17 VAL CB C 32.06 0.28 1 43 35 17 VAL CG1 C 22.18 0.06 2 44 35 17 VAL CG2 C 21.14 0.18 2 45 35 17 VAL N N 124.99 0.15 1 46 36 18 ILE C C 178.30 0.18 1 47 36 18 ILE CA C 64.23 0.13 1 48 36 18 ILE CB C 38.38 0.07 1 49 36 18 ILE CG1 C 29.15 0.07 1 50 36 18 ILE CG2 C 17.12 0.05 1 51 36 18 ILE CD1 C 14.11 0.14 1 52 36 18 ILE N N 132.31 0.19 1 53 37 19 GLY C C 174.61 0.20 1 54 37 19 GLY CA C 45.66 0.21 1 55 37 19 GLY N N 117.58 0.21 1 56 38 20 LYS C C 177.59 0.01 1 57 38 20 LYS CA C 55.80 0.30 1 58 38 20 LYS CB C 34.73 0.14 1 59 38 20 LYS N N 116.97 0.09 1 60 39 21 GLY C C 173.86 0.16 1 61 39 21 GLY CA C 45.82 0.09 1 62 39 21 GLY N N 105.71 0.01 1 63 40 22 HIS C C 175.51 0.10 1 64 40 22 HIS CA C 55.26 0.08 1 65 40 22 HIS CB C 32.21 0.15 1 66 40 22 HIS CG C 136.07 0.10 1 67 40 22 HIS N N 116.73 0.07 1 68 41 23 ARG C C 177.59 0.01 1 69 41 23 ARG CA C 55.23 0.10 1 70 41 23 ARG CB C 32.60 0.14 1 71 41 23 ARG CG C 28.66 0.10 1 72 41 23 ARG N N 122.83 0.05 1 73 42 24 GLY C C 171.07 0.16 1 74 42 24 GLY CA C 47.25 0.09 1 75 42 24 GLY N N 107.51 0.04 1 76 43 25 THR C C 174.68 0.04 1 77 43 25 THR CA C 60.99 0.25 1 78 43 25 THR CB C 72.14 0.14 1 79 43 25 THR CG2 C 22.47 0.26 1 80 43 25 THR N N 117.30 0.19 1 81 44 26 VAL C C 174.73 0.03 1 82 44 26 VAL CA C 65.01 0.11 1 83 44 26 VAL CB C 31.71 0.04 1 84 44 26 VAL CG1 C 24.19 0.09 2 85 44 26 VAL CG2 C 23.13 0.13 2 86 44 26 VAL N N 127.56 0.06 1 87 45 27 ALA C C 176.38 0.14 1 88 45 27 ALA CA C 51.56 0.09 1 89 45 27 ALA CB C 21.97 0.06 1 90 45 27 ALA N N 130.60 0.06 1 91 46 28 TYR C C 173.21 0.06 1 92 46 28 TYR CA C 58.72 0.03 1 93 46 28 TYR CB C 43.41 0.03 1 94 46 28 TYR CG C 128.65 0.10 1 95 46 28 TYR CD1 C 132.25 0.10 1 96 46 28 TYR CD2 C 135.11 0.10 1 97 46 28 TYR N N 120.22 0.07 1 98 47 29 VAL C C 174.75 0.02 1 99 47 29 VAL CA C 61.82 0.02 1 100 47 29 VAL CB C 35.54 0.01 1 101 47 29 VAL CG1 C 21.72 0.01 2 102 47 29 VAL N N 128.29 0.08 1 103 48 30 GLY C C 172.10 0.02 1 104 48 30 GLY CA C 45.39 0.02 1 105 48 30 GLY N N 113.20 0.11 1 106 49 31 ALA C C 178.70 0.13 1 107 49 31 ALA CA C 51.84 0.05 1 108 49 31 ALA CB C 20.53 0.04 1 109 49 31 ALA N N 123.77 0.05 1 110 50 32 THR C C 173.50 0.08 1 111 50 32 THR CA C 59.60 0.03 1 112 50 32 THR CB C 72.52 0.09 1 113 50 32 THR CG2 C 22.23 0.12 1 114 50 32 THR N N 112.42 0.06 1 115 51 33 LEU C C 177.80 0.09 1 116 51 33 LEU CA C 54.73 0.17 1 117 51 33 LEU CB C 41.83 0.30 1 118 51 33 LEU CG C 27.62 0.01 1 119 51 33 LEU N N 113.03 0.16 1 120 52 34 PHE C C 174.56 0.14 1 121 52 34 PHE CA C 56.37 0.19 1 122 52 34 PHE CB C 38.73 0.08 1 123 52 34 PHE CG C 138.03 0.10 1 124 52 34 PHE CD1 C 132.35 0.10 1 125 52 34 PHE N N 111.44 0.23 1 126 53 35 ALA C C 176.33 0.04 1 127 53 35 ALA CA C 52.14 0.08 1 128 53 35 ALA CB C 22.59 0.06 1 129 53 35 ALA N N 123.08 0.02 1 130 54 36 THR C C 176.64 0.06 1 131 54 36 THR CA C 62.18 0.05 1 132 54 36 THR CB C 71.07 0.04 1 133 54 36 THR CG2 C 22.31 0.05 1 134 54 36 THR N N 110.25 0.09 1 135 55 37 GLY C C 172.50 0.04 1 136 55 37 GLY CA C 45.33 0.15 1 137 55 37 GLY N N 109.16 0.05 1 138 56 38 LYS C C 176.60 0.12 1 139 56 38 LYS CA C 57.03 0.04 1 140 56 38 LYS CB C 33.73 0.10 1 141 56 38 LYS CG C 25.53 0.09 1 142 56 38 LYS N N 121.46 0.09 1 143 57 39 TRP C C 173.96 0.03 1 144 57 39 TRP CA C 56.86 0.06 1 145 57 39 TRP CB C 34.23 0.13 1 146 57 39 TRP CG C 111.89 0.10 1 147 57 39 TRP CD1 C 127.07 0.10 1 148 57 39 TRP N N 130.11 0.20 1 149 58 40 VAL C C 176.43 0.06 1 150 58 40 VAL CA C 61.01 0.05 1 151 58 40 VAL CB C 33.41 0.06 1 152 58 40 VAL CG1 C 23.75 0.03 2 153 58 40 VAL CG2 C 20.82 0.05 2 154 58 40 VAL N N 119.65 0.06 1 155 59 41 GLY C C 172.33 0.03 1 156 59 41 GLY CA C 45.88 0.04 1 157 59 41 GLY N N 115.70 0.04 1 158 60 42 VAL C C 173.36 0.04 1 159 60 42 VAL CA C 60.72 0.03 1 160 60 42 VAL CB C 35.12 0.04 1 161 60 42 VAL CG1 C 22.69 0.03 2 162 60 42 VAL CG2 C 21.68 0.01 2 163 60 42 VAL N N 128.40 0.02 1 164 61 43 ILE C C 177.79 0.05 1 165 61 43 ILE CA C 60.63 0.04 1 166 61 43 ILE CB C 38.88 0.04 1 167 61 43 ILE CG1 C 28.36 0.02 1 168 61 43 ILE CG2 C 17.95 0.04 1 169 61 43 ILE CD1 C 14.77 0.06 1 170 61 43 ILE N N 124.69 0.04 1 171 62 44 LEU C C 177.92 0.03 1 172 62 44 LEU CA C 55.61 0.20 1 173 62 44 LEU CB C 41.67 0.06 1 174 62 44 LEU CG C 26.93 0.03 1 175 62 44 LEU CD1 C 22.39 0.06 2 176 62 44 LEU N N 133.06 0.04 1 177 63 45 ASP C C 177.87 0.09 1 178 63 45 ASP CA C 57.44 0.09 1 179 63 45 ASP CB C 40.08 0.05 1 180 63 45 ASP CG C 180.07 0.06 1 181 63 45 ASP N N 125.11 0.03 1 182 64 46 GLU C C 176.81 0.09 1 183 64 46 GLU CA C 54.38 0.17 1 184 64 46 GLU CB C 32.96 0.22 1 185 64 46 GLU CG C 37.16 0.18 1 186 64 46 GLU CD C 179.98 0.10 1 187 64 46 GLU N N 118.09 0.17 1 188 65 47 ALA C C 178.01 0.11 1 189 65 47 ALA CA C 51.11 0.06 1 190 65 47 ALA CB C 15.75 0.04 1 191 65 47 ALA N N 125.05 0.10 1 192 66 48 LYS C C 176.33 0.06 1 193 66 48 LYS CA C 53.79 0.22 1 194 66 48 LYS CB C 33.38 0.09 1 195 66 48 LYS CG C 25.47 0.18 1 196 66 48 LYS N N 122.67 0.03 1 197 67 49 GLY C C 172.93 0.09 1 198 67 49 GLY CA C 44.41 0.08 1 199 67 49 GLY N N 109.20 0.03 1 200 68 50 LYS C C 175.84 0.14 1 201 68 50 LYS CA C 56.19 0.04 1 202 68 50 LYS CB C 37.24 0.17 1 203 68 50 LYS CG C 25.34 0.15 1 204 68 50 LYS CD C 29.10 0.12 1 205 68 50 LYS CE C 42.46 0.10 1 206 68 50 LYS N N 116.29 0.13 1 207 69 51 ASN C C 173.42 0.13 1 208 69 51 ASN CA C 53.43 0.12 1 209 69 51 ASN CB C 40.82 0.12 1 210 69 51 ASN N N 117.30 0.20 1 211 70 52 ASP C C 178.13 0.03 1 212 70 52 ASP CA C 53.13 0.06 1 213 70 52 ASP CB C 41.00 0.15 1 214 70 52 ASP CG C 182.03 0.02 1 215 70 52 ASP N N 119.00 0.02 1 216 71 53 GLY C C 174.38 0.30 1 217 71 53 GLY CA C 43.47 0.13 1 218 71 53 GLY N N 110.99 0.21 1 219 72 54 THR C C 174.69 0.02 1 220 72 54 THR CA C 61.61 0.09 1 221 72 54 THR CB C 69.35 0.11 1 222 72 54 THR CG2 C 20.22 0.09 1 223 72 54 THR N N 118.00 0.12 1 224 73 55 VAL C C 176.84 0.03 1 225 73 55 VAL CA C 61.71 0.05 1 226 73 55 VAL CB C 36.43 0.07 1 227 73 55 VAL CG1 C 22.20 0.16 2 228 73 55 VAL CG2 C 21.52 0.05 2 229 73 55 VAL N N 123.29 0.17 1 230 74 56 GLN C C 176.11 0.07 1 231 74 56 GLN CA C 56.88 0.06 1 232 74 56 GLN CB C 26.98 0.04 1 233 74 56 GLN CG C 34.39 0.25 1 234 74 56 GLN CD C 176.31 0.10 1 235 74 56 GLN N N 130.21 0.11 1 236 75 57 GLY C C 173.01 0.20 1 237 75 57 GLY CA C 45.72 0.06 1 238 75 57 GLY N N 103.65 0.10 1 239 76 58 ARG C C 172.85 0.10 1 240 76 58 ARG CA C 53.84 0.19 1 241 76 58 ARG CB C 30.63 0.10 1 242 76 58 ARG N N 122.07 0.12 1 243 77 59 LYS C C 176.04 0.12 1 244 77 59 LYS CA C 56.55 0.04 1 245 77 59 LYS CB C 32.72 0.11 1 246 77 59 LYS CG C 24.45 0.16 1 247 77 59 LYS CD C 29.48 0.01 1 248 77 59 LYS N N 128.26 0.26 1 249 78 60 TYR C C 175.16 0.12 1 250 78 60 TYR CA C 60.53 0.11 1 251 78 60 TYR CB C 39.42 0.30 1 252 78 60 TYR N N 127.69 0.30 1 253 79 61 PHE C C 172.50 0.04 1 254 79 61 PHE CA C 56.04 0.09 1 255 79 61 PHE CB C 38.79 0.03 1 256 79 61 PHE N N 114.21 0.12 1 257 80 62 THR C C 172.78 0.07 1 258 80 62 THR CA C 62.82 0.03 1 259 80 62 THR CB C 71.34 0.03 1 260 80 62 THR CG2 C 21.53 0.04 1 261 80 62 THR N N 115.34 0.05 1 262 81 63 CYS C C 172.33 0.03 1 263 81 63 CYS CA C 56.21 0.04 1 264 81 63 CYS CB C 32.33 0.06 1 265 81 63 CYS N N 120.70 0.03 1 266 82 64 ASP C C 176.72 0.04 1 267 82 64 ASP CA C 54.71 0.04 1 268 82 64 ASP CB C 41.31 0.03 1 269 82 64 ASP N N 118.44 0.05 1 270 83 65 GLU C C 177.91 0.02 1 271 83 65 GLU CA C 58.43 0.06 1 272 83 65 GLU CB C 29.94 0.06 1 273 83 65 GLU CG C 36.05 0.08 1 274 83 65 GLU CD C 183.77 0.10 1 275 83 65 GLU N N 121.23 0.09 1 276 84 66 GLY C C 174.55 0.13 1 277 84 66 GLY CA C 45.51 0.05 1 278 84 66 GLY N N 112.19 0.29 1 279 85 67 HIS C C 174.19 0.08 1 280 85 67 HIS CA C 56.66 0.06 1 281 85 67 HIS CB C 29.48 0.10 1 282 85 67 HIS CG C 132.53 0.26 1 283 85 67 HIS N N 113.93 0.07 1 284 86 68 GLY C C 174.58 0.21 1 285 86 68 GLY CA C 45.66 0.05 1 286 86 68 GLY N N 112.30 0.02 1 287 87 69 ILE C C 172.70 0.10 1 288 87 69 ILE CA C 60.61 0.06 1 289 87 69 ILE CB C 43.82 0.01 1 290 87 69 ILE CG1 C 27.21 0.17 1 291 87 69 ILE CG2 C 19.17 0.10 1 292 87 69 ILE CD1 C 14.80 0.10 1 293 87 69 ILE N N 118.46 0.04 1 294 88 70 PHE C C 175.78 0.09 1 295 88 70 PHE CA C 58.04 0.09 1 296 88 70 PHE CB C 42.31 0.23 1 297 88 70 PHE N N 122.47 0.20 1 298 89 71 VAL C C 175.69 0.04 1 299 89 71 VAL CA C 59.08 0.05 1 300 89 71 VAL CB C 37.05 0.11 1 301 89 71 VAL CG1 C 23.66 0.01 2 302 89 71 VAL CG2 C 19.04 0.05 2 303 89 71 VAL N N 114.84 0.12 1 304 90 72 ARG C C 179.07 0.08 1 305 90 72 ARG CA C 53.42 0.11 1 306 90 72 ARG CB C 31.66 0.08 1 307 90 72 ARG CG C 25.51 0.02 1 308 90 72 ARG CD C 42.25 0.08 1 309 90 72 ARG N N 117.65 0.10 1 310 91 73 GLN C C 176.70 0.07 1 311 91 73 GLN CA C 59.72 0.07 1 312 91 73 GLN CB C 28.07 0.15 1 313 91 73 GLN CG C 34.04 0.05 1 314 91 73 GLN CD C 179.18 0.13 1 315 91 73 GLN N N 122.57 0.10 1 316 92 74 SER C C 175.94 0.04 1 317 92 74 SER CA C 59.66 0.10 1 318 92 74 SER CB C 62.87 0.04 1 319 92 74 SER N N 109.71 0.06 1 320 93 75 GLN C C 176.09 0.27 1 321 93 75 GLN CA C 56.76 0.15 1 322 93 75 GLN CB C 31.42 0.08 1 323 93 75 GLN CG C 36.65 0.11 1 324 93 75 GLN N N 117.98 0.20 1 325 94 76 ILE C C 173.85 0.25 1 326 94 76 ILE CA C 58.43 0.02 1 327 94 76 ILE CB C 43.63 0.09 1 328 94 76 ILE CG1 C 25.02 0.06 1 329 94 76 ILE CG2 C 20.18 0.03 1 330 94 76 ILE N N 112.97 0.25 1 331 95 77 GLN C C 175.00 0.20 1 332 95 77 GLN CA C 53.80 0.17 1 333 95 77 GLN CB C 33.62 0.10 1 334 95 77 GLN N N 118.57 0.10 1 335 96 78 VAL C C 176.00 0.20 1 336 96 78 VAL CA C 63.04 0.19 1 337 96 78 VAL CB C 32.58 0.35 1 338 96 78 VAL CG1 C 21.18 0.20 2 339 96 78 VAL N N 126.73 0.17 1 340 97 79 PHE CA C 57.36 0.20 1 341 97 79 PHE CB C 40.08 0.10 1 342 97 79 PHE N N 124.97 0.18 1 stop_ save_