data_5888 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, CA and CB assignments for the W7A mutant of rat nuclear transport factor 2 (NTF2) ; _BMRB_accession_number 5888 _BMRB_flat_file_name bmr5888.str _Entry_type original _Submission_date 2003-07-30 _Accession_date 2003-07-30 _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 Morrison Jonathan . . 2 Yang Ji-Chun . . 3 Stewart Murray . . 4 Neuhaus David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 136 "13C chemical shifts" 237 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-19 original author . stop_ _Original_release_date 2003-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR study of the interaction between NTF2 and nucleoporin FxFG repeats' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14556747 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morrison Jonathan . . 2 Yang Ji-Chun . . 3 Stewart Murray . . 4 Neuhaus David . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 333 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 587 _Page_last 603 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_NTF2_W7A _Saveframe_category molecular_system _Mol_system_name 'nuclear transport factor 2 W7A mutant' _Abbreviation_common 'NTF2 W7A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NTF2 W7A subunit 1' $NTF2_W7A 'NTF2 W7A subunit 2' $NTF2_W7A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'NTF2 W7A subunit 1' 1 'NTF2 W7A subunit 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NTF2_W7A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Nuclear transport factor 2 W7A mutant' _Name_variant W7A _Abbreviation_common 'NTF2 W7A' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MGDKPIAEQIGSSFIQHYYQ LFDNDRTQLGAIYIDASCLT WEGQQFQGKAAIVEKLSSLP FQKIQHSITAQDHQPTPDSC IISMVVGQLKADEDPIMGFH QMFLLKNINDAWVCTNDMFR LALHNFG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASP 4 LYS 5 PRO 6 ILE 7 ALA 8 GLU 9 GLN 10 ILE 11 GLY 12 SER 13 SER 14 PHE 15 ILE 16 GLN 17 HIS 18 TYR 19 TYR 20 GLN 21 LEU 22 PHE 23 ASP 24 ASN 25 ASP 26 ARG 27 THR 28 GLN 29 LEU 30 GLY 31 ALA 32 ILE 33 TYR 34 ILE 35 ASP 36 ALA 37 SER 38 CYS 39 LEU 40 THR 41 TRP 42 GLU 43 GLY 44 GLN 45 GLN 46 PHE 47 GLN 48 GLY 49 LYS 50 ALA 51 ALA 52 ILE 53 VAL 54 GLU 55 LYS 56 LEU 57 SER 58 SER 59 LEU 60 PRO 61 PHE 62 GLN 63 LYS 64 ILE 65 GLN 66 HIS 67 SER 68 ILE 69 THR 70 ALA 71 GLN 72 ASP 73 HIS 74 GLN 75 PRO 76 THR 77 PRO 78 ASP 79 SER 80 CYS 81 ILE 82 ILE 83 SER 84 MET 85 VAL 86 VAL 87 GLY 88 GLN 89 LEU 90 LYS 91 ALA 92 ASP 93 GLU 94 ASP 95 PRO 96 ILE 97 MET 98 GLY 99 PHE 100 HIS 101 GLN 102 MET 103 PHE 104 LEU 105 LEU 106 LYS 107 ASN 108 ILE 109 ASN 110 ASP 111 ALA 112 TRP 113 VAL 114 CYS 115 THR 116 ASN 117 ASP 118 MET 119 PHE 120 ARG 121 LEU 122 ALA 123 LEU 124 HIS 125 ASN 126 PHE 127 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 5887 NTF2 100.00 127 99.21 99.21 9.65e-88 PDB 1A2K "Gdpran-Ntf2 Complex" 100.00 127 99.21 99.21 9.65e-88 PDB 1AR0 "Nuclear Transport Factor 2 (Ntf2) E42k Mutant" 100.00 127 98.43 99.21 3.86e-87 PDB 1ASK "Nuclear Transport Factor 2 (Ntf2) H66a Mutant" 100.00 127 98.43 98.43 1.48e-86 PDB 1GY5 "D92n,D94n Double Point Mutant Of Human Nuclear Transport Factor 2 (Ntf2)" 100.00 127 97.64 99.21 1.36e-86 PDB 1GY6 "Ntf2 From Rat, Ammonium Sulphate Conditions" 100.00 127 99.21 99.21 9.65e-88 PDB 1JB2 "Crystal Structure Of Ntf2 M84e Mutant" 100.00 127 97.64 97.64 7.13e-86 PDB 1JB4 "Crystal Structure Of Ntf2 M102e Mutant" 100.00 127 97.64 97.64 7.13e-86 PDB 1JB5 "Crystal Structure Of Ntf2 M118e Mutant" 100.00 127 97.64 97.64 7.13e-86 PDB 1OUN "Crystal Structure Of Nuclear Transport Factor 2 (Ntf2)" 100.00 127 99.21 99.21 9.65e-88 PDB 1QMA "Nuclear Transport Factor 2 (Ntf2) W7a Mutant" 99.21 126 100.00 100.00 3.81e-88 PDB 1U5O "Structure Of The D23a Mutant Of The Nuclear Transport Carrier Ntf2" 100.00 127 98.43 98.43 9.77e-87 DBJ BAB22117 "unnamed protein product [Mus musculus]" 100.00 127 99.21 99.21 9.65e-88 DBJ BAB28283 "unnamed protein product [Mus musculus]" 100.00 127 99.21 99.21 9.65e-88 DBJ BAB32122 "unnamed protein product [Mus musculus]" 100.00 127 99.21 99.21 9.65e-88 DBJ BAC25936 "unnamed protein product [Mus musculus]" 100.00 127 99.21 99.21 9.65e-88 DBJ BAC34511 "unnamed protein product [Mus musculus]" 100.00 127 99.21 99.21 9.65e-88 EMBL CAA30278 "unnamed protein product [Homo sapiens]" 100.00 127 99.21 99.21 9.65e-88 EMBL CAA62839 "nuclear transport factor 2 [Rattus norvegicus]" 100.00 127 99.21 99.21 9.65e-88 EMBL CAG33218 "NUTF2 [Homo sapiens]" 100.00 127 99.21 99.21 9.65e-88 EMBL CAH91946 "hypothetical protein [Pongo abelii]" 100.00 127 98.43 99.21 5.24e-87 GB AAA85905 "nuclear transport factor 2 [Homo sapiens]" 100.00 127 99.21 99.21 9.65e-88 GB AAH02348 "Nuclear transport factor 2 [Homo sapiens]" 100.00 127 99.21 99.21 9.65e-88 GB AAH03955 "Nuclear transport factor 2 [Mus musculus]" 100.00 127 99.21 99.21 9.65e-88 GB AAH61569 "Nuclear transport factor 2 [Rattus norvegicus]" 100.00 127 99.21 99.21 9.65e-88 GB AAH83165 "Nuclear transport factor 2 [Mus musculus]" 100.00 127 99.21 99.21 9.65e-88 REF NP_001007630 "nuclear transport factor 2 [Rattus norvegicus]" 100.00 127 99.21 99.21 9.65e-88 REF NP_001032713 "nuclear transport factor 2 [Bos taurus]" 100.00 127 99.21 99.21 9.65e-88 REF NP_001126129 "nuclear transport factor 2 [Pongo abelii]" 100.00 127 98.43 99.21 5.24e-87 REF NP_001271650 "uncharacterized protein LOC101865641 [Macaca fascicularis]" 100.00 127 99.21 99.21 9.65e-88 REF NP_005787 "nuclear transport factor 2 [Homo sapiens]" 100.00 127 99.21 99.21 9.65e-88 SP P61970 "RecName: Full=Nuclear transport factor 2; Short=NTF-2; AltName: Full=Placental protein 15; Short=PP15 [Homo sapiens]" 100.00 127 99.21 99.21 9.65e-88 SP P61971 "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Mus musculus]" 100.00 127 99.21 99.21 9.65e-88 SP P61972 "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Rattus norvegicus]" 100.00 127 99.21 99.21 9.65e-88 SP Q32KP9 "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Bos taurus]" 100.00 127 99.21 99.21 9.65e-88 SP Q5R8G4 "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Pongo abelii]" 100.00 127 98.43 99.21 5.24e-87 TPG DAA20137 "TPA: nuclear transport factor 2 [Bos taurus]" 100.00 127 99.21 99.21 9.65e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NTF2_W7A '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 $NTF2_W7A 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NTF2_W7A . mM 0.4 1 . 'sodium phosphate' 20 mM . . . 'sodium chloride' 50 mM . . . 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 $NTF2_W7A . mM 0.4 1 '[U-98% 15N]' 'sodium phosphate' 20 mM . . . 'sodium chloride' 50 mM . . . 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 $NTF2_W7A . mM 0.4 1 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . . 'sodium chloride' 50 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_xwin-nmr _Saveframe_category software _Name xwin-nmr _Version 2.6 loop_ _Task processing stop_ _Details . save_ save_sparky _Saveframe_category software _Name sparky _Version 3.91 loop_ _Task 'visualisation during assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _Sample_label . save_ save_2D_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-HSQC' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNHAHB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label . save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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 0.2 n/a temperature 300 0.5 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NTF2 W7A subunit 1' _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 . 2 GLY H H 8.62 0.02 1 2 . 2 GLY CA C 42.9 0.2 1 3 . 2 GLY N N 110.2 0.2 1 4 . 3 ASP H H 8.43 0.02 1 5 . 3 ASP CA C 51.9 0.2 1 6 . 3 ASP CB C 39.2 0.2 1 7 . 3 ASP N N 119.8 0.2 1 8 . 4 LYS H H 8.51 0.02 1 9 . 4 LYS CA C 47.2 0.2 1 10 . 4 LYS CB C 30.3 0.2 1 11 . 4 LYS N N 122.1 0.2 1 12 . 5 PRO CA C 60.6 0.2 1 13 . 5 PRO CB C 30.2 0.2 1 14 . 6 ILE H H 8.67 0.02 1 15 . 6 ILE CA C 60.9 0.2 1 16 . 6 ILE CB C 35.2 0.2 1 17 . 6 ILE N N 123.5 0.2 1 18 . 7 ALA H H 8.82 0.02 1 19 . 7 ALA CA C 52.9 0.2 1 20 . 7 ALA CB C 15.8 0.2 1 21 . 7 ALA N N 122.6 0.2 1 22 . 8 GLU H H 7.45 0.02 1 23 . 8 GLU CA C 55.8 0.2 1 24 . 8 GLU CB C 27.2 0.2 1 25 . 8 GLU N N 114.1 0.2 1 26 . 9 GLN H H 7.79 0.02 1 27 . 9 GLN HE21 H 7.32 0.02 2 28 . 9 GLN HE22 H 6.72 0.02 2 29 . 9 GLN CA C 57.0 0.2 1 30 . 9 GLN CB C 26.4 0.2 1 31 . 9 GLN N N 120.5 0.2 1 32 . 9 GLN NE2 N 110.9 0.2 1 33 . 10 ILE H H 8.04 0.02 1 34 . 10 ILE CA C 61.3 0.2 1 35 . 10 ILE CB C 35.2 0.2 1 36 . 10 ILE N N 119.4 0.2 1 37 . 11 GLY H H 8.23 0.02 1 38 . 11 GLY CA C 44.9 0.2 1 39 . 11 GLY N N 107.9 0.2 1 40 . 12 SER H H 7.59 0.02 1 41 . 12 SER CA C 59.2 0.2 1 42 . 12 SER CB C 60.4 0.2 1 43 . 12 SER N N 114.7 0.2 1 44 . 13 SER H H 7.30 0.02 1 45 . 13 SER CA C 59.8 0.2 1 46 . 13 SER CB C 60.6 0.2 1 47 . 13 SER N N 117.9 0.2 1 48 . 14 PHE H H 8.31 0.02 1 49 . 14 PHE CA C 59.8 0.2 1 50 . 14 PHE CB C 36.8 0.2 1 51 . 14 PHE N N 123.4 0.2 1 52 . 15 ILE H H 8.65 0.02 1 53 . 15 ILE CA C 61.5 0.2 1 54 . 15 ILE CB C 34.7 0.2 1 55 . 15 ILE N N 117.1 0.2 1 56 . 16 GLN H H 7.79 0.02 1 57 . 16 GLN CA C 57.0 0.2 1 58 . 16 GLN CB C 26.0 0.2 1 59 . 16 GLN N N 118.7 0.2 1 60 . 17 HIS H H 7.66 0.02 1 61 . 17 HIS CA C 56.0 0.2 1 62 . 17 HIS CB C 26.6 0.2 1 63 . 17 HIS N N 117.6 0.2 1 64 . 18 TYR H H 8.71 0.02 1 65 . 18 TYR CA C 59.9 0.2 1 66 . 18 TYR CB C 35.8 0.2 1 67 . 18 TYR N N 119.9 0.2 1 68 . 19 TYR H H 8.10 0.02 1 69 . 19 TYR CA C 60.2 0.2 1 70 . 19 TYR CB C 34.7 0.2 1 71 . 19 TYR N N 114.5 0.2 1 72 . 20 GLN H H 7.73 0.02 1 73 . 20 GLN CA C 57.1 0.2 1 74 . 20 GLN CB C 25.8 0.2 1 75 . 20 GLN N N 119.9 0.2 1 76 . 21 LEU H H 7.92 0.02 1 77 . 21 LEU CA C 55.2 0.2 1 78 . 21 LEU CB C 39.3 0.2 1 79 . 21 LEU N N 119.0 0.2 1 80 . 22 PHE H H 8.85 0.02 1 81 . 22 PHE CA C 58.2 0.2 1 82 . 22 PHE CB C 36.7 0.2 1 83 . 22 PHE N N 120.0 0.2 1 84 . 23 ASP H H 8.32 0.02 1 85 . 23 ASP CA C 53.0 0.2 1 86 . 23 ASP CB C 37.1 0.2 1 87 . 23 ASP N N 113.9 0.2 1 88 . 24 ASN H H 7.74 0.02 1 89 . 24 ASN HD21 H 8.15 0.02 2 90 . 24 ASN HD22 H 7.22 0.02 2 91 . 24 ASN CA C 52.8 0.2 1 92 . 24 ASN CB C 39.2 0.2 1 93 . 24 ASN N N 117.3 0.2 1 94 . 24 ASN ND2 N 114.8 0.2 1 95 . 25 ASP H H 8.94 0.02 1 96 . 25 ASP CA C 51.7 0.2 1 97 . 25 ASP CB C 37.1 0.2 1 98 . 25 ASP N N 118.4 0.2 1 99 . 26 ARG H H 8.66 0.02 1 100 . 26 ARG CA C 56.2 0.2 1 101 . 26 ARG CB C 26.7 0.2 1 102 . 26 ARG N N 123.9 0.2 1 103 . 27 THR H H 8.03 0.02 1 104 . 27 THR CA C 62.1 0.2 1 105 . 27 THR CB C 66.2 0.2 1 106 . 27 THR N N 109.3 0.2 1 107 . 28 GLN H H 7.71 0.02 1 108 . 28 GLN HE21 H 7.62 0.02 2 109 . 28 GLN HE22 H 6.83 0.02 2 110 . 28 GLN CA C 53.4 0.2 1 111 . 28 GLN CB C 26.6 0.2 1 112 . 28 GLN N N 118.1 0.2 1 113 . 28 GLN NE2 N 113.2 0.2 1 114 . 29 LEU H H 7.30 0.02 1 115 . 29 LEU CA C 54.6 0.2 1 116 . 29 LEU CB C 40.1 0.2 1 117 . 29 LEU N N 117.9 0.2 1 118 . 30 GLY H H 8.07 0.02 1 119 . 30 GLY CA C 45.8 0.2 1 120 . 30 GLY N N 104.3 0.2 1 121 . 31 ALA H H 7.21 0.02 1 122 . 31 ALA CA C 51.6 0.2 1 123 . 31 ALA CB C 17.1 0.2 1 124 . 31 ALA N N 117.6 0.2 1 125 . 32 ILE H H 7.67 0.02 1 126 . 32 ILE CA C 58.1 0.2 1 127 . 32 ILE CB C 35.5 0.2 1 128 . 32 ILE N N 111.1 0.2 1 129 . 33 TYR H H 7.25 0.02 1 130 . 33 TYR CA C 54.8 0.2 1 131 . 33 TYR CB C 40.0 0.2 1 132 . 33 TYR N N 116.8 0.2 1 133 . 34 ILE H H 9.06 0.02 1 134 . 34 ILE CA C 57.5 0.2 1 135 . 34 ILE CB C 39.9 0.2 1 136 . 34 ILE N N 111.4 0.2 1 137 . 35 ASP H H 8.87 0.02 1 138 . 35 ASP CA C 56.6 0.2 1 139 . 35 ASP CB C 37.4 0.2 1 140 . 35 ASP N N 122.4 0.2 1 141 . 36 ALA H H 7.85 0.02 1 142 . 36 ALA CA C 49.3 0.2 1 143 . 36 ALA CB C 16.6 0.2 1 144 . 36 ALA N N 117.8 0.2 1 145 . 37 SER H H 7.94 0.02 1 146 . 37 SER CA C 59.0 0.2 1 147 . 37 SER CB C 62.1 0.2 1 148 . 37 SER N N 116.5 0.2 1 149 . 38 CYS H H 8.13 0.02 1 150 . 38 CYS CA C 56.1 0.2 1 151 . 38 CYS CB C 28.2 0.2 1 152 . 38 CYS N N 120.4 0.2 1 153 . 39 LEU H H 8.85 0.02 1 154 . 39 LEU CA C 50.4 0.2 1 155 . 39 LEU CB C 45.7 0.2 1 156 . 39 LEU N N 127.3 0.2 1 157 . 40 THR H H 9.21 0.02 1 158 . 40 THR CA C 59.7 0.2 1 159 . 40 THR CB C 67.3 0.2 1 160 . 40 THR N N 123.3 0.2 1 161 . 41 TRP H H 9.74 0.02 1 162 . 41 TRP CA C 54.2 0.2 1 163 . 41 TRP CB C 28.6 0.2 1 164 . 41 TRP N N 128.4 0.2 1 165 . 42 GLU H H 8.87 0.02 1 166 . 42 GLU CA C 54.9 0.2 1 167 . 42 GLU CB C 26.6 0.2 1 168 . 42 GLU N N 128.3 0.2 1 169 . 43 GLY H H 9.52 0.02 1 170 . 43 GLY CA C 43.7 0.2 1 171 . 43 GLY N N 104.3 0.2 1 172 . 44 GLN H H 7.87 0.02 1 173 . 44 GLN CA C 52.2 0.2 1 174 . 44 GLN CB C 28.1 0.2 1 175 . 44 GLN N N 121.2 0.2 1 176 . 45 GLN H H 8.69 0.02 1 177 . 45 GLN HE21 H 7.54 0.02 2 178 . 45 GLN HE22 H 6.82 0.02 2 179 . 45 GLN CA C 53.2 0.2 1 180 . 45 GLN CB C 29.3 0.2 1 181 . 45 GLN N N 124.7 0.2 1 182 . 45 GLN NE2 N 109.9 0.2 1 183 . 46 PHE H H 9.79 0.02 1 184 . 46 PHE CA C 55.2 0.2 1 185 . 46 PHE CB C 39.4 0.2 1 186 . 46 PHE N N 123.6 0.2 1 187 . 47 GLN H H 8.87 0.02 1 188 . 47 GLN CA C 53.1 0.2 1 189 . 47 GLN CB C 27.8 0.2 1 190 . 47 GLN N N 122.4 0.2 1 191 . 48 GLY H H 8.75 0.02 1 192 . 48 GLY CA C 42.1 0.2 1 193 . 48 GLY N N 115.0 0.2 1 194 . 49 LYS H H 7.42 0.02 1 195 . 49 LYS CA C 58.6 0.2 1 196 . 49 LYS CB C 30.7 0.2 1 197 . 49 LYS N N 120.0 0.2 1 198 . 50 ALA H H 8.56 0.02 1 199 . 50 ALA CA C 53.3 0.2 1 200 . 50 ALA CB C 15.2 0.2 1 201 . 50 ALA N N 119.1 0.2 1 202 . 51 ALA H H 8.35 0.02 1 203 . 51 ALA CA C 52.3 0.2 1 204 . 51 ALA CB C 16.6 0.2 1 205 . 51 ALA N N 120.8 0.2 1 206 . 52 ILE H H 8.09 0.02 1 207 . 52 ILE CA C 63.8 0.2 1 208 . 52 ILE CB C 36.0 0.2 1 209 . 52 ILE N N 120.1 0.2 1 210 . 53 VAL H H 8.58 0.02 1 211 . 53 VAL CA C 64.5 0.2 1 212 . 53 VAL CB C 29.0 0.2 1 213 . 53 VAL N N 118.1 0.2 1 214 . 54 GLU H H 7.97 0.02 1 215 . 54 GLU CA C 57.1 0.2 1 216 . 54 GLU CB C 27.0 0.2 1 217 . 54 GLU N N 121.6 0.2 1 218 . 55 LYS H H 7.53 0.02 1 219 . 55 LYS CA C 55.1 0.2 1 220 . 55 LYS CB C 27.6 0.2 1 221 . 55 LYS N N 120.3 0.2 1 222 . 56 LEU H H 8.27 0.02 1 223 . 56 LEU CA C 54.9 0.2 1 224 . 56 LEU CB C 38.9 0.2 1 225 . 56 LEU N N 117.0 0.2 1 226 . 57 SER H H 8.35 0.02 1 227 . 57 SER CA C 59.2 0.2 1 228 . 57 SER CB C 60.6 0.2 1 229 . 57 SER N N 113.1 0.2 1 230 . 58 SER H H 7.45 0.02 1 231 . 58 SER CA C 56.2 0.2 1 232 . 58 SER CB C 61.8 0.2 1 233 . 58 SER N N 114.1 0.2 1 234 . 59 LEU H H 6.77 0.02 1 235 . 59 LEU CA C 50.8 0.2 1 236 . 59 LEU CB C 38.8 0.2 1 237 . 59 LEU N N 123.6 0.2 1 238 . 60 PRO CA C 61.5 0.2 1 239 . 60 PRO CB C 27.7 0.2 1 240 . 61 PHE H H 6.84 0.02 1 241 . 61 PHE CA C 52.2 0.2 1 242 . 61 PHE CB C 38.1 0.2 1 243 . 61 PHE N N 117.5 0.2 1 244 . 62 GLN H H 10.56 0.02 1 245 . 62 GLN CA C 55.1 0.2 1 246 . 62 GLN CB C 27.5 0.2 1 247 . 62 GLN N N 123.8 0.2 1 248 . 63 LYS H H 9.35 0.02 1 249 . 63 LYS CA C 52.6 0.2 1 250 . 63 LYS CB C 32.8 0.2 1 251 . 63 LYS N N 122.8 0.2 1 252 . 64 ILE H H 8.98 0.02 1 253 . 64 ILE CA C 56.9 0.2 1 254 . 64 ILE CB C 38.9 0.2 1 255 . 64 ILE N N 122.5 0.2 1 256 . 65 GLN H H 7.92 0.02 1 257 . 65 GLN CA C 51.6 0.2 1 258 . 65 GLN CB C 30.5 0.2 1 259 . 65 GLN N N 122.3 0.2 1 260 . 66 HIS H H 9.89 0.02 1 261 . 66 HIS CA C 54.3 0.2 1 262 . 66 HIS CB C 28.9 0.2 1 263 . 66 HIS N N 124.1 0.2 1 264 . 67 SER H H 9.34 0.02 1 265 . 67 SER CA C 54.7 0.2 1 266 . 67 SER CB C 62.2 0.2 1 267 . 67 SER N N 117.4 0.2 1 268 . 68 ILE H H 9.04 0.02 1 269 . 68 ILE CA C 59.0 0.2 1 270 . 68 ILE CB C 35.1 0.2 1 271 . 68 ILE N N 126.4 0.2 1 272 . 69 THR H H 9.18 0.02 1 273 . 69 THR CA C 61.7 0.2 1 274 . 69 THR CB C 66.2 0.2 1 275 . 69 THR N N 124.8 0.2 1 276 . 70 ALA H H 8.26 0.02 1 277 . 70 ALA CA C 49.5 0.2 1 278 . 70 ALA CB C 18.7 0.2 1 279 . 70 ALA N N 122.6 0.2 1 280 . 71 GLN H H 8.32 0.02 1 281 . 71 GLN HE21 H 8.86 0.02 2 282 . 71 GLN CA C 54.1 0.2 1 283 . 71 GLN CB C 30.6 0.2 1 284 . 71 GLN N N 113.9 0.2 1 285 . 71 GLN NE2 N 113.8 0.2 1 286 . 72 ASP H H 8.55 0.02 1 287 . 72 ASP CA C 50.8 0.2 1 288 . 72 ASP CB C 44.6 0.2 1 289 . 72 ASP N N 120.9 0.2 1 290 . 73 HIS H H 8.36 0.02 1 291 . 73 HIS CA C 52.5 0.2 1 292 . 73 HIS CB C 33.1 0.2 1 293 . 73 HIS N N 117.2 0.2 1 294 . 74 GLN H H 9.59 0.02 1 295 . 74 GLN N N 122.5 0.2 1 296 . 75 PRO CA C 59.4 0.2 1 297 . 75 PRO CB C 29.9 0.2 1 298 . 76 THR H H 8.43 0.02 1 299 . 76 THR N N 111.8 0.2 1 300 . 77 PRO CA C 62.5 0.2 1 301 . 77 PRO CB C 29.9 0.2 1 302 . 78 ASP H H 7.50 0.02 1 303 . 78 ASP CA C 51.2 0.2 1 304 . 78 ASP CB C 38.2 0.2 1 305 . 78 ASP N N 113.3 0.2 1 306 . 79 SER H H 8.16 0.02 1 307 . 79 SER CA C 58.4 0.2 1 308 . 79 SER N N 108.8 0.2 1 309 . 80 CYS H H 7.41 0.02 1 310 . 80 CYS CA C 56.0 0.2 1 311 . 80 CYS CB C 27.2 0.2 1 312 . 80 CYS N N 115.0 0.2 1 313 . 81 ILE H H 8.82 0.02 1 314 . 81 ILE CA C 58.1 0.2 1 315 . 81 ILE CB C 39.3 0.2 1 316 . 81 ILE N N 122.6 0.2 1 317 . 82 ILE H H 9.38 0.02 1 318 . 82 ILE CA C 56.7 0.2 1 319 . 82 ILE CB C 39.6 0.2 1 320 . 82 ILE N N 126.3 0.2 1 321 . 83 SER H H 9.10 0.02 1 322 . 83 SER CA C 56.1 0.2 1 323 . 83 SER CB C 64.7 0.2 1 324 . 83 SER N N 122.6 0.2 1 325 . 84 MET H H 9.02 0.02 1 326 . 84 MET CA C 52.6 0.2 1 327 . 84 MET CB C 35.5 0.2 1 328 . 84 MET N N 122.9 0.2 1 329 . 85 VAL H H 9.68 0.02 1 330 . 85 VAL CA C 58.3 0.2 1 331 . 85 VAL CB C 33.6 0.2 1 332 . 85 VAL N N 125.9 0.2 1 333 . 86 VAL H H 8.28 0.02 1 334 . 86 VAL CA C 57.0 0.2 1 335 . 86 VAL CB C 31.9 0.2 1 336 . 86 VAL N N 121.9 0.2 1 337 . 87 GLY H H 7.20 0.02 1 338 . 87 GLY CA C 44.0 0.2 1 339 . 87 GLY N N 111.3 0.2 1 340 . 88 GLN H H 9.01 0.02 1 341 . 88 GLN CA C 51.6 0.2 1 342 . 88 GLN N N 118.3 0.2 1 343 . 89 LEU H H 9.79 0.02 1 344 . 89 LEU CA C 51.0 0.2 1 345 . 89 LEU CB C 43.1 0.2 1 346 . 89 LEU N N 121.8 0.2 1 347 . 90 LYS H H 8.23 0.02 1 348 . 90 LYS CA C 52.2 0.2 1 349 . 90 LYS CB C 32.9 0.2 1 350 . 90 LYS N N 124.3 0.2 1 351 . 91 ALA H H 9.08 0.02 1 352 . 91 ALA CA C 47.3 0.2 1 353 . 91 ALA CB C 17.8 0.2 1 354 . 91 ALA N N 134.4 0.2 1 355 . 92 ASP H H 9.02 0.02 1 356 . 92 ASP CA C 54.4 0.2 1 357 . 92 ASP CB C 37.6 0.2 1 358 . 92 ASP N N 120.1 0.2 1 359 . 93 GLU H H 8.28 0.02 1 360 . 93 GLU CA C 52.5 0.2 1 361 . 93 GLU CB C 26.6 0.2 1 362 . 93 GLU N N 121.9 0.2 1 363 . 94 ASP H H 8.54 0.02 1 364 . 94 ASP CB C 37.0 0.2 1 365 . 94 ASP N N 123.8 0.2 1 366 . 95 PRO CA C 60.3 0.2 1 367 . 95 PRO CB C 29.7 0.2 1 368 . 96 ILE H H 8.28 0.02 1 369 . 96 ILE CA C 60.5 0.2 1 370 . 96 ILE CB C 36.3 0.2 1 371 . 96 ILE N N 121.9 0.2 1 372 . 97 MET H H 8.51 0.02 1 373 . 97 MET CA C 51.2 0.2 1 374 . 97 MET CB C 34.2 0.2 1 375 . 97 MET N N 123.8 0.2 1 376 . 98 GLY H H 8.61 0.02 1 377 . 98 GLY CA C 42.6 0.2 1 378 . 98 GLY N N 109.4 0.2 1 379 . 99 PHE H H 8.27 0.02 1 380 . 99 PHE CA C 54.0 0.2 1 381 . 99 PHE CB C 41.1 0.2 1 382 . 99 PHE N N 117.0 0.2 1 383 . 100 HIS H H 8.56 0.02 1 384 . 100 HIS CA C 51.0 0.2 1 385 . 100 HIS CB C 31.1 0.2 1 386 . 100 HIS N N 119.1 0.2 1 387 . 101 GLN H H 9.18 0.02 1 388 . 101 GLN HE21 H 11.11 0.02 2 389 . 101 GLN HE22 H 6.91 0.02 2 390 . 101 GLN CA C 51.0 0.2 1 391 . 101 GLN CB C 36.6 0.2 1 392 . 101 GLN N N 124.9 0.2 1 393 . 101 GLN NE2 N 122.9 0.2 1 394 . 102 MET H H 8.23 0.02 1 395 . 102 MET CA C 50.8 0.2 1 396 . 102 MET CB C 32.7 0.2 1 397 . 102 MET N N 124.3 0.2 1 398 . 103 PHE H H 8.80 0.02 1 399 . 103 PHE CA C 53.7 0.2 1 400 . 103 PHE CB C 41.5 0.2 1 401 . 103 PHE N N 117.3 0.2 1 402 . 104 LEU H H 8.87 0.02 1 403 . 104 LEU CA C 51.7 0.2 1 404 . 104 LEU CB C 43.9 0.2 1 405 . 104 LEU N N 122.4 0.2 1 406 . 105 LEU H H 9.79 0.02 1 407 . 105 LEU CA C 50.4 0.2 1 408 . 105 LEU CB C 43.0 0.2 1 409 . 105 LEU N N 125.7 0.2 1 410 . 106 LYS H H 9.40 0.02 1 411 . 106 LYS CA C 52.6 0.2 1 412 . 106 LYS CB C 36.2 0.2 1 413 . 106 LYS N N 122.4 0.2 1 414 . 107 ASN H H 8.38 0.02 1 415 . 107 ASN HD21 H 8.51 0.02 2 416 . 107 ASN HD22 H 6.29 0.02 2 417 . 107 ASN CA C 49.6 0.2 1 418 . 107 ASN CB C 35.5 0.2 1 419 . 107 ASN N N 126.4 0.2 1 420 . 107 ASN ND2 N 106.5 0.2 1 421 . 108 ILE H H 8.66 0.02 1 422 . 108 ILE CA C 57.8 0.2 1 423 . 108 ILE CB C 37.6 0.2 1 424 . 108 ILE N N 127.5 0.2 1 425 . 109 ASN H H 9.23 0.02 1 426 . 109 ASN CA C 52.1 0.2 1 427 . 109 ASN CB C 34.5 0.2 1 428 . 109 ASN N N 125.5 0.2 1 429 . 110 ASP H H 8.15 0.02 1 430 . 110 ASP CA C 53.4 0.2 1 431 . 110 ASP CB C 37.1 0.2 1 432 . 110 ASP N N 111.0 0.2 1 433 . 111 ALA H H 7.40 0.02 1 434 . 111 ALA CA C 48.5 0.2 1 435 . 111 ALA CB C 19.3 0.2 1 436 . 111 ALA N N 121.4 0.2 1 437 . 112 TRP H H 8.49 0.02 1 438 . 112 TRP CA C 55.1 0.2 1 439 . 112 TRP CB C 26.3 0.2 1 440 . 112 TRP N N 121.2 0.2 1 441 . 113 VAL H H 9.07 0.02 1 442 . 113 VAL CA C 56.6 0.2 1 443 . 113 VAL CB C 32.6 0.2 1 444 . 113 VAL N N 118.3 0.2 1 445 . 114 CYS H H 9.16 0.02 1 446 . 114 CYS CA C 55.4 0.2 1 447 . 114 CYS CB C 25.8 0.2 1 448 . 114 CYS N N 120.2 0.2 1 449 . 115 THR H H 9.31 0.02 1 450 . 115 THR CA C 61.4 0.2 1 451 . 115 THR CB C 66.2 0.2 1 452 . 115 THR N N 118.4 0.2 1 453 . 116 ASN H H 7.92 0.02 1 454 . 116 ASN HD21 H 8.60 0.02 2 455 . 116 ASN HD22 H 6.14 0.02 2 456 . 116 ASN CA C 52.4 0.2 1 457 . 116 ASN CB C 39.1 0.2 1 458 . 116 ASN N N 123.8 0.2 1 459 . 116 ASN ND2 N 110.7 0.2 1 460 . 117 ASP H H 8.71 0.02 1 461 . 117 ASP CA C 50.6 0.2 1 462 . 117 ASP CB C 43.4 0.2 1 463 . 117 ASP N N 125.8 0.2 1 464 . 118 MET H H 8.95 0.02 1 465 . 118 MET CA C 53.0 0.2 1 466 . 118 MET CB C 35.6 0.2 1 467 . 118 MET N N 126.1 0.2 1 468 . 119 PHE H H 8.95 0.02 1 469 . 119 PHE CA C 54.8 0.2 1 470 . 119 PHE CB C 42.1 0.2 1 471 . 119 PHE N N 121.2 0.2 1 472 . 120 ARG H H 8.17 0.02 1 473 . 120 ARG CA C 52.2 0.2 1 474 . 120 ARG CB C 32.6 0.2 1 475 . 120 ARG N N 130.0 0.2 1 476 . 121 LEU H H 8.95 0.02 1 477 . 121 LEU CA C 52.0 0.2 1 478 . 121 LEU CB C 40.8 0.2 1 479 . 121 LEU N N 124.1 0.2 1 480 . 122 ALA H H 8.16 0.02 1 481 . 122 ALA CA C 48.8 0.2 1 482 . 122 ALA CB C 16.9 0.2 1 483 . 122 ALA N N 124.3 0.2 1 484 . 123 LEU H H 8.11 0.02 1 485 . 123 LEU CA C 52.6 0.2 1 486 . 123 LEU CB C 40.0 0.2 1 487 . 123 LEU N N 121.6 0.2 1 488 . 124 HIS H H 8.35 0.02 1 489 . 124 HIS CA C 52.8 0.2 1 490 . 124 HIS CB C 27.8 0.2 1 491 . 124 HIS N N 118.6 0.2 1 492 . 125 ASN H H 8.25 0.02 1 493 . 125 ASN CA C 50.6 0.2 1 494 . 125 ASN CB C 36.6 0.2 1 495 . 125 ASN N N 119.4 0.2 1 496 . 126 PHE H H 8.28 0.02 1 497 . 126 PHE CA C 55.1 0.2 1 498 . 126 PHE CB C 37.2 0.2 1 499 . 126 PHE N N 120.4 0.2 1 500 . 127 GLY H H 8.02 0.02 1 501 . 127 GLY CA C 43.9 0.2 1 502 . 127 GLY N N 115.6 0.2 1 stop_ save_