data_15451 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GABPa OST domain ; _BMRB_accession_number 15451 _BMRB_flat_file_name bmr15451.str _Entry_type original _Submission_date 2007-08-31 _Accession_date 2007-08-31 _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 Kang Hyun-Seo . . 2 Nelson Mary L. . 3 Mackereth Cameron D. . 4 Schaerpf Manuela . . 5 Graves Barbara J. . 6 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 S2_parameters 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 508 "13C chemical shifts" 397 "15N chemical shifts" 98 "coupling constants" 57 "T1 relaxation values" 78 "T2 relaxation values" 78 "residual dipolar couplings" 50 "order parameters" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-28 update BMRB 'added Tau e, f, and s units tags with values of s' 2008-07-28 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification and structural characterization of a CBP/p300-binding domain from the ETS family transcription factor GABP alpha' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18295234 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Hyun-Seo . . 2 Nelson Mary L. . 3 Mackereth Cameron D. . 4 Schaerpf Manuela . . 5 Graves Barbara J. . 6 McIntosh Lawrence P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 377 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 636 _Page_last 646 _Year 2008 _Details . loop_ _Keyword 'Ets transcription factor' GABP 'NMR ENSEMBLE' OST stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'OST domain in GABP alpha' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OST_(On-SighT) $OST_(On-SighT) 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_OST_(On-SighT) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OST_(On-SighT) _Molecular_mass 9979.494 _Mol_thiol_state 'all free' loop_ _Biological_function 'Transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MAECVSQAIDINEPIGNLKK LLEPRLQCSLDAHEICLQDI QLDPDRSLFDQGVKTDGTVQ LSVQVISYQGMEPKLNILEI VKTAETVEW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 34 MET 2 35 ALA 3 36 GLU 4 37 CYS 5 38 VAL 6 39 SER 7 40 GLN 8 41 ALA 9 42 ILE 10 43 ASP 11 44 ILE 12 45 ASN 13 46 GLU 14 47 PRO 15 48 ILE 16 49 GLY 17 50 ASN 18 51 LEU 19 52 LYS 20 53 LYS 21 54 LEU 22 55 LEU 23 56 GLU 24 57 PRO 25 58 ARG 26 59 LEU 27 60 GLN 28 61 CYS 29 62 SER 30 63 LEU 31 64 ASP 32 65 ALA 33 66 HIS 34 67 GLU 35 68 ILE 36 69 CYS 37 70 LEU 38 71 GLN 39 72 ASP 40 73 ILE 41 74 GLN 42 75 LEU 43 76 ASP 44 77 PRO 45 78 ASP 46 79 ARG 47 80 SER 48 81 LEU 49 82 PHE 50 83 ASP 51 84 GLN 52 85 GLY 53 86 VAL 54 87 LYS 55 88 THR 56 89 ASP 57 90 GLY 58 91 THR 59 92 VAL 60 93 GLN 61 94 LEU 62 95 SER 63 96 VAL 64 97 GLN 65 98 VAL 66 99 ILE 67 100 SER 68 101 TYR 69 102 GLN 70 103 GLY 71 104 MET 72 105 GLU 73 106 PRO 74 107 LYS 75 108 LEU 76 109 ASN 77 110 ILE 78 111 LEU 79 112 GLU 80 113 ILE 81 114 VAL 82 115 LYS 83 116 THR 84 117 ALA 85 118 GLU 86 119 THR 87 120 VAL 88 121 GLU 89 122 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 2JUO "Gabpa Ost Domain" 100.00 89 100.00 100.00 1.05e-56 DBJ BAE24181 "unnamed protein product [Mus musculus]" 97.75 454 100.00 100.00 8.46e-51 DBJ BAE26442 "unnamed protein product [Mus musculus]" 97.75 454 100.00 100.00 8.46e-51 DBJ BAE26687 "unnamed protein product [Mus musculus]" 97.75 454 100.00 100.00 8.46e-51 DBJ BAE28337 "unnamed protein product [Mus musculus]" 97.75 454 100.00 100.00 8.46e-51 DBJ BAE29575 "unnamed protein product [Mus musculus]" 97.75 454 100.00 100.00 8.46e-51 GB AAA53030 "GA binding protein [Mus musculus]" 97.75 454 100.00 100.00 7.94e-51 GB AAH52448 "GA repeat binding protein, alpha [Mus musculus]" 97.75 454 100.00 100.00 8.46e-51 GB AAO27832 "GA-binding protein alpha-subunit [Mus musculus]" 97.75 454 100.00 100.00 7.94e-51 GB EDK98317 "GA repeat binding protein, alpha [Mus musculus]" 97.75 454 100.00 100.00 8.46e-51 GB EDM10625 "GA repeat binding protein, alpha (predicted) [Rattus norvegicus]" 97.75 454 98.85 100.00 3.88e-50 REF NP_001102311 "GA-binding protein alpha chain [Rattus norvegicus]" 97.75 454 98.85 100.00 3.88e-50 REF NP_032091 "GA-binding protein alpha chain [Mus musculus]" 97.75 454 100.00 100.00 8.46e-51 REF XP_001363875 "PREDICTED: GA-binding protein alpha chain isoform X1 [Monodelphis domestica]" 97.75 456 97.70 98.85 4.29e-49 REF XP_002716818 "PREDICTED: GA-binding protein alpha chain [Oryctolagus cuniculus]" 97.75 454 97.70 100.00 1.41e-49 REF XP_003467234 "PREDICTED: GA-binding protein alpha chain [Cavia porcellus]" 97.75 454 97.70 100.00 1.65e-49 SP Q00422 "RecName: Full=GA-binding protein alpha chain; Short=GABP subunit alpha" 97.75 454 100.00 100.00 8.46e-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 $OST_(On-SighT) Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $OST_(On-SighT) 'recombinant technology' . Escherichia coli BL21DE3 pET28a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_GABPa_OST _Saveframe_category sample _Sample_type solution _Details 'uniformly 13C/15N labeled GABPa OST' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' $OST_(On-SighT) 1 mM '[U-100% 13C; U-100% 15N]' DTT 2 mM 'natural abundance' stop_ save_ save_15N_GABPa_OST _Saveframe_category sample _Sample_type solution _Details 'uniformly 15N labeled GABPa OST' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $OST_(On-SighT) 1 mM '[U-100% 15N]' DTT 2 mM 'natural abundance' stop_ save_ save_15N_10%_13C_GABPa_OST _Saveframe_category sample _Sample_type solution _Details '10% 13C- and uniformly 15N- labeled GABPa OST' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $OST_(On-SighT) 1 mM '[U-10% 13C; U-100% 15N]' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' refinement 'structure solution' stop_ _Details 'CNS version 1.1' save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.11 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' collection 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'geometry optimization' 'structure solution' stop_ _Details . save_ 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details 'triple resonance gradient probes' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'triple resonance gradient probes' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'triple resonance gradient probes' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_GABPa_OST save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_10%_13C_GABPa_OST save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N_GABPa_OST save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_GABPa_OST save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N_GABPa_OST save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N_GABPa_OST save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_GABPa_OST save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $13C_15N_GABPa_OST save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N_GABPa_OST save_ save_simultaneous_CN_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'simultaneous CN NOESY' _Sample_label $13C_15N_GABPa_OST save_ save_EZ-HMQC-NH2_11 _Saveframe_category NMR_applied_experiment _Experiment_name EZ-HMQC-NH2 _Sample_label $13C_15N_GABPa_OST save_ save_N-CG_spin_echo_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'N-CG spin echo' _Sample_label $13C_15N_GABPa_OST save_ save_CO-CG_spin_echo_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'CO-CG spin echo' _Sample_label $13C_15N_GABPa_OST save_ save_15N_IPAP_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N IPAP' _Sample_label $15N_GABPa_OST save_ save_3D_HNHB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $15N_GABPa_OST save_ save_T1_T2_HNNOE_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 T2 HNNOE' _Sample_label $15N_GABPa_OST save_ save_3D_HNHA_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N_GABPa_OST save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 298.0 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 external direct . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' 'simultaneous CN NOESY' EZ-HMQC-NH2 'N-CG spin echo' 'CO-CG spin echo' stop_ loop_ _Sample_label $15N_GABPa_OST $15N_10%_13C_GABPa_OST $13C_15N_GABPa_OST stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name OST_(On-SighT) _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 34 1 MET HA H 4.510 0.050 1 2 34 1 MET C C 175.411 0.300 1 3 34 1 MET CA C 55.650 0.300 1 4 34 1 MET CB C 33.211 0.300 1 5 35 2 ALA H H 8.306 0.050 1 6 35 2 ALA HA H 4.534 0.050 1 7 35 2 ALA HB H 1.462 0.050 1 8 35 2 ALA C C 177.148 0.300 1 9 35 2 ALA CA C 52.614 0.300 1 10 35 2 ALA CB C 19.875 0.300 1 11 35 2 ALA N N 125.052 0.500 1 12 36 3 GLU H H 8.442 0.050 1 13 36 3 GLU HA H 4.470 0.050 1 14 36 3 GLU HB2 H 2.082 0.050 1 15 36 3 GLU HB3 H 2.183 0.050 1 16 36 3 GLU HG2 H 2.348 0.050 2 17 36 3 GLU HG3 H 2.348 0.050 2 18 36 3 GLU C C 175.826 0.300 1 19 36 3 GLU CA C 56.539 0.300 1 20 36 3 GLU CB C 31.058 0.300 1 21 36 3 GLU CG C 36.419 0.300 1 22 36 3 GLU N N 120.338 0.500 1 23 37 4 CYS H H 8.367 0.050 1 24 37 4 CYS HA H 5.333 0.050 1 25 37 4 CYS HB2 H 2.822 0.050 2 26 37 4 CYS HB3 H 2.822 0.050 2 27 37 4 CYS C C 174.405 0.300 1 28 37 4 CYS CA C 58.215 0.300 1 29 37 4 CYS CB C 29.404 0.300 1 30 37 4 CYS N N 120.066 0.500 1 31 38 5 VAL H H 9.162 0.050 1 32 38 5 VAL HA H 4.594 0.050 1 33 38 5 VAL HB H 2.086 0.050 1 34 38 5 VAL HG1 H 0.921 0.050 2 35 38 5 VAL HG2 H 0.944 0.050 2 36 38 5 VAL C C 174.004 0.300 1 37 38 5 VAL CA C 60.046 0.300 1 38 38 5 VAL CB C 35.050 0.300 1 39 38 5 VAL CG1 C 20.769 0.300 1 40 38 5 VAL CG2 C 21.628 0.300 1 41 38 5 VAL N N 120.929 0.500 1 42 39 6 SER H H 8.595 0.050 1 43 39 6 SER HA H 5.813 0.050 1 44 39 6 SER HB2 H 3.778 0.050 2 45 39 6 SER HB3 H 3.778 0.050 2 46 39 6 SER C C 174.925 0.300 1 47 39 6 SER CA C 56.377 0.300 1 48 39 6 SER CB C 64.608 0.300 1 49 39 6 SER N N 119.199 0.500 1 50 40 7 GLN H H 8.961 0.050 1 51 40 7 GLN HA H 4.526 0.050 1 52 40 7 GLN HB2 H 1.471 0.050 2 53 40 7 GLN HB3 H 1.471 0.050 2 54 40 7 GLN HE21 H 8.547 0.050 1 55 40 7 GLN HE22 H 7.232 0.050 1 56 40 7 GLN HG2 H 2.024 0.050 2 57 40 7 GLN HG3 H 2.024 0.050 2 58 40 7 GLN C C 173.310 0.300 1 59 40 7 GLN CA C 54.549 0.300 1 60 40 7 GLN CB C 33.245 0.300 1 61 40 7 GLN CD C 177.291 0.300 1 62 40 7 GLN CG C 34.038 0.300 1 63 40 7 GLN N N 126.308 0.500 1 64 40 7 GLN NE2 N 118.089 0.500 1 65 41 8 ALA H H 8.623 0.050 1 66 41 8 ALA HA H 5.529 0.050 1 67 41 8 ALA HB H 1.369 0.050 1 68 41 8 ALA C C 177.954 0.300 1 69 41 8 ALA CA C 51.713 0.300 1 70 41 8 ALA CB C 20.177 0.300 1 71 41 8 ALA N N 132.524 0.500 1 72 42 9 ILE H H 9.202 0.050 1 73 42 9 ILE HA H 4.473 0.050 1 74 42 9 ILE HB H 1.598 0.050 1 75 42 9 ILE HD1 H 0.859 0.050 1 76 42 9 ILE HG12 H 1.669 0.050 1 77 42 9 ILE HG13 H 1.571 0.050 1 78 42 9 ILE HG2 H 0.742 0.050 1 79 42 9 ILE C C 172.041 0.300 1 80 42 9 ILE CA C 60.782 0.300 1 81 42 9 ILE CB C 43.539 0.300 1 82 42 9 ILE CD1 C 15.218 0.300 1 83 42 9 ILE CG1 C 28.977 0.300 1 84 42 9 ILE CG2 C 16.006 0.300 1 85 42 9 ILE N N 121.825 0.500 1 86 43 10 ASP H H 8.865 0.050 1 87 43 10 ASP HA H 4.809 0.050 1 88 43 10 ASP HB2 H 2.878 0.050 1 89 43 10 ASP HB3 H 2.676 0.050 1 90 43 10 ASP C C 178.575 0.300 1 91 43 10 ASP CA C 55.093 0.300 1 92 43 10 ASP CB C 43.362 0.300 1 93 43 10 ASP N N 126.237 0.500 1 94 44 11 ILE H H 8.586 0.050 1 95 44 11 ILE HA H 4.135 0.050 1 96 44 11 ILE HB H 1.975 0.050 1 97 44 11 ILE HD1 H 0.945 0.050 1 98 44 11 ILE HG12 H 1.977 0.050 1 99 44 11 ILE HG13 H 1.610 0.050 1 100 44 11 ILE HG2 H 1.182 0.050 1 101 44 11 ILE C C 174.249 0.300 1 102 44 11 ILE CA C 61.052 0.300 1 103 44 11 ILE CB C 40.121 0.300 1 104 44 11 ILE CD1 C 16.427 0.300 1 105 44 11 ILE CG1 C 28.424 0.300 1 106 44 11 ILE CG2 C 20.526 0.300 1 107 44 11 ILE N N 128.141 0.500 1 108 45 12 ASN H H 8.861 0.050 1 109 45 12 ASN HA H 5.066 0.050 1 110 45 12 ASN HB2 H 2.715 0.050 1 111 45 12 ASN HB3 H 2.984 0.050 1 112 45 12 ASN HD21 H 8.023 0.050 1 113 45 12 ASN HD22 H 6.629 0.050 1 114 45 12 ASN C C 175.407 0.300 1 115 45 12 ASN CA C 54.262 0.300 1 116 45 12 ASN CB C 40.122 0.300 1 117 45 12 ASN CG C 177.869 0.300 1 118 45 12 ASN N N 116.115 0.500 1 119 45 12 ASN ND2 N 115.626 0.500 1 120 46 13 GLU H H 7.695 0.050 1 121 46 13 GLU HA H 4.878 0.050 1 122 46 13 GLU CA C 54.231 0.300 1 123 46 13 GLU CB C 30.967 0.300 1 124 46 13 GLU N N 122.608 0.500 1 125 47 14 PRO HA H 3.588 0.050 1 126 47 14 PRO HB2 H 2.160 0.050 1 127 47 14 PRO HB3 H 2.007 0.050 1 128 47 14 PRO HD2 H 3.927 0.050 1 129 47 14 PRO HD3 H 3.713 0.050 1 130 47 14 PRO HG2 H 2.257 0.050 1 131 47 14 PRO HG3 H 1.999 0.050 1 132 47 14 PRO C C 178.680 0.300 1 133 47 14 PRO CA C 63.862 0.300 1 134 47 14 PRO CB C 31.500 0.300 1 135 47 14 PRO CD C 50.153 0.300 1 136 47 14 PRO CG C 28.302 0.300 1 137 48 15 ILE H H 8.389 0.050 1 138 48 15 ILE HA H 4.340 0.050 1 139 48 15 ILE HB H 1.900 0.050 1 140 48 15 ILE HD1 H 1.184 0.050 1 141 48 15 ILE HG12 H 1.592 0.050 1 142 48 15 ILE HG13 H 1.361 0.050 1 143 48 15 ILE HG2 H 1.162 0.050 1 144 48 15 ILE C C 176.517 0.300 1 145 48 15 ILE CA C 59.703 0.300 1 146 48 15 ILE CB C 39.600 0.300 1 147 48 15 ILE CD1 C 14.824 0.300 1 148 48 15 ILE CG1 C 30.279 0.300 1 149 48 15 ILE CG2 C 21.135 0.300 1 150 48 15 ILE N N 126.120 0.500 1 151 49 16 GLY H H 9.674 0.050 1 152 49 16 GLY HA2 H 4.138 0.050 1 153 49 16 GLY HA3 H 3.816 0.050 1 154 49 16 GLY C C 176.813 0.300 1 155 49 16 GLY CA C 47.114 0.300 1 156 49 16 GLY N N 111.805 0.500 1 157 50 17 ASN H H 8.526 0.050 1 158 50 17 ASN HA H 4.532 0.050 1 159 50 17 ASN HB2 H 3.136 0.050 1 160 50 17 ASN HB3 H 3.018 0.050 1 161 50 17 ASN HD21 H 9.149 0.050 1 162 50 17 ASN HD22 H 7.135 0.050 1 163 50 17 ASN C C 177.218 0.300 1 164 50 17 ASN CA C 55.334 0.300 1 165 50 17 ASN CB C 36.690 0.300 1 166 50 17 ASN CG C 176.164 0.300 1 167 50 17 ASN N N 122.237 0.500 1 168 50 17 ASN ND2 N 111.440 0.500 1 169 51 18 LEU H H 8.638 0.050 1 170 51 18 LEU HA H 4.004 0.050 1 171 51 18 LEU HB2 H 1.897 0.050 1 172 51 18 LEU HB3 H 1.750 0.050 1 173 51 18 LEU HD1 H 0.854 0.050 2 174 51 18 LEU HD2 H 0.900 0.050 2 175 51 18 LEU HG H 1.633 0.050 1 176 51 18 LEU C C 178.360 0.300 1 177 51 18 LEU CA C 57.924 0.300 1 178 51 18 LEU CB C 43.620 0.300 1 179 51 18 LEU CD1 C 25.464 0.300 1 180 51 18 LEU CD2 C 23.700 0.300 1 181 51 18 LEU CG C 26.746 0.300 1 182 51 18 LEU N N 120.393 0.500 1 183 52 19 LYS H H 7.526 0.050 1 184 52 19 LYS HA H 3.743 0.050 1 185 52 19 LYS HB2 H 1.905 0.050 1 186 52 19 LYS HB3 H 1.826 0.050 1 187 52 19 LYS HD2 H 1.959 0.050 2 188 52 19 LYS HD3 H 1.959 0.050 2 189 52 19 LYS HE2 H 3.039 0.050 2 190 52 19 LYS HE3 H 3.039 0.050 2 191 52 19 LYS HG2 H 1.586 0.050 1 192 52 19 LYS HG3 H 1.150 0.050 1 193 52 19 LYS C C 177.641 0.300 1 194 52 19 LYS CA C 60.926 0.300 1 195 52 19 LYS CB C 32.704 0.300 1 196 52 19 LYS CD C 29.907 0.300 1 197 52 19 LYS CE C 43.068 0.300 1 198 52 19 LYS CG C 27.725 0.300 1 199 52 19 LYS N N 114.125 0.500 1 200 53 20 LYS H H 7.013 0.050 1 201 53 20 LYS HA H 4.179 0.050 1 202 53 20 LYS HB2 H 2.031 0.050 1 203 53 20 LYS HB3 H 1.970 0.050 1 204 53 20 LYS HD2 H 1.733 0.050 2 205 53 20 LYS HD3 H 1.733 0.050 2 206 53 20 LYS HE2 H 3.063 0.050 2 207 53 20 LYS HE3 H 3.063 0.050 2 208 53 20 LYS HG2 H 1.586 0.050 2 209 53 20 LYS HG3 H 1.586 0.050 2 210 53 20 LYS C C 179.338 0.300 1 211 53 20 LYS CA C 58.072 0.300 1 212 53 20 LYS CB C 31.983 0.300 1 213 53 20 LYS CD C 28.889 0.300 1 214 53 20 LYS CE C 42.050 0.300 1 215 53 20 LYS CG C 25.175 0.300 1 216 53 20 LYS N N 116.108 0.500 1 217 54 21 LEU H H 7.548 0.050 1 218 54 21 LEU HA H 4.236 0.050 1 219 54 21 LEU HB2 H 1.832 0.050 1 220 54 21 LEU HB3 H 1.431 0.050 1 221 54 21 LEU HD1 H 0.990 0.050 2 222 54 21 LEU HD2 H 1.015 0.050 2 223 54 21 LEU HG H 1.867 0.050 1 224 54 21 LEU C C 178.968 0.300 1 225 54 21 LEU CA C 56.971 0.300 1 226 54 21 LEU CB C 42.418 0.300 1 227 54 21 LEU CD1 C 22.099 0.300 1 228 54 21 LEU CD2 C 25.483 0.300 1 229 54 21 LEU CG C 26.599 0.300 1 230 54 21 LEU N N 117.351 0.500 1 231 55 22 LEU H H 7.719 0.050 1 232 55 22 LEU HA H 4.324 0.050 1 233 55 22 LEU HB2 H 1.802 0.050 1 234 55 22 LEU HB3 H 1.303 0.050 1 235 55 22 LEU HD1 H 0.848 0.050 2 236 55 22 LEU HD2 H 0.741 0.050 2 237 55 22 LEU C C 178.518 0.300 1 238 55 22 LEU CA C 56.153 0.300 1 239 55 22 LEU CB C 43.537 0.300 1 240 55 22 LEU CD1 C 23.688 0.300 1 241 55 22 LEU CD2 C 26.547 0.300 1 242 55 22 LEU N N 114.790 0.500 1 243 56 23 GLU H H 8.113 0.050 1 244 56 23 GLU HA H 4.160 0.050 1 245 56 23 GLU CA C 62.702 0.300 1 246 56 23 GLU CB C 28.011 0.300 1 247 56 23 GLU N N 121.957 0.500 1 248 57 24 PRO HA H 4.514 0.050 1 249 57 24 PRO HB2 H 2.444 0.050 1 250 57 24 PRO HB3 H 1.943 0.050 1 251 57 24 PRO HD2 H 3.736 0.050 2 252 57 24 PRO HD3 H 3.736 0.050 2 253 57 24 PRO HG2 H 2.116 0.050 2 254 57 24 PRO HG3 H 2.116 0.050 2 255 57 24 PRO C C 178.397 0.300 1 256 57 24 PRO CA C 65.369 0.300 1 257 57 24 PRO CB C 31.144 0.300 1 258 57 24 PRO CD C 50.754 0.300 1 259 57 24 PRO CG C 28.198 0.300 1 260 58 25 ARG H H 7.071 0.050 1 261 58 25 ARG HA H 4.341 0.050 1 262 58 25 ARG HB2 H 1.983 0.050 1 263 58 25 ARG HB3 H 2.124 0.050 1 264 58 25 ARG HG2 H 1.970 0.050 1 265 58 25 ARG HG3 H 1.801 0.050 1 266 58 25 ARG C C 177.656 0.300 1 267 58 25 ARG CA C 57.953 0.300 1 268 58 25 ARG CB C 30.956 0.300 1 269 58 25 ARG CG C 26.882 0.300 1 270 58 25 ARG N N 115.416 0.500 1 271 59 26 LEU H H 8.144 0.050 1 272 59 26 LEU HA H 4.377 0.050 1 273 59 26 LEU HB2 H 1.659 0.050 1 274 59 26 LEU HB3 H 1.773 0.050 1 275 59 26 LEU HD1 H 0.906 0.050 2 276 59 26 LEU HD2 H 0.883 0.050 2 277 59 26 LEU HG H 1.782 0.050 1 278 59 26 LEU C C 176.800 0.300 1 279 59 26 LEU CA C 55.181 0.300 1 280 59 26 LEU CB C 42.868 0.300 1 281 59 26 LEU CD1 C 22.413 0.300 1 282 59 26 LEU CD2 C 26.690 0.300 1 283 59 26 LEU CG C 27.491 0.300 1 284 59 26 LEU N N 117.774 0.500 1 285 60 27 GLN H H 8.386 0.050 1 286 60 27 GLN HA H 3.944 0.050 1 287 60 27 GLN HB2 H 2.275 0.050 2 288 60 27 GLN HB3 H 2.275 0.050 2 289 60 27 GLN HE21 H 7.636 0.050 1 290 60 27 GLN HE22 H 6.849 0.050 1 291 60 27 GLN HG2 H 2.277 0.050 2 292 60 27 GLN HG3 H 2.277 0.050 2 293 60 27 GLN C C 174.303 0.300 1 294 60 27 GLN CA C 56.570 0.300 1 295 60 27 GLN CB C 26.056 0.300 1 296 60 27 GLN CD C 181.322 0.300 1 297 60 27 GLN CG C 34.377 0.300 1 298 60 27 GLN N N 114.310 0.500 1 299 60 27 GLN NE2 N 112.845 0.500 1 300 61 28 CYS H H 7.471 0.050 1 301 61 28 CYS HA H 4.853 0.050 1 302 61 28 CYS HB2 H 2.867 0.050 1 303 61 28 CYS HB3 H 3.106 0.050 1 304 61 28 CYS C C 171.849 0.300 1 305 61 28 CYS CA C 55.426 0.300 1 306 61 28 CYS CB C 30.795 0.300 1 307 61 28 CYS N N 111.902 0.500 1 308 62 29 SER H H 8.315 0.050 1 309 62 29 SER HA H 4.533 0.050 1 310 62 29 SER HB2 H 3.992 0.050 1 311 62 29 SER HB3 H 3.875 0.050 1 312 62 29 SER C C 176.985 0.300 1 313 62 29 SER CA C 57.589 0.300 1 314 62 29 SER CB C 63.746 0.300 1 315 62 29 SER N N 112.445 0.500 1 316 63 30 LEU H H 9.840 0.050 1 317 63 30 LEU HA H 4.915 0.050 1 318 63 30 LEU HB2 H 1.587 0.050 1 319 63 30 LEU HB3 H 1.464 0.050 1 320 63 30 LEU HD1 H 0.041 0.050 2 321 63 30 LEU HD2 H 0.881 0.050 2 322 63 30 LEU C C 177.819 0.300 1 323 63 30 LEU CA C 53.728 0.300 1 324 63 30 LEU CB C 41.586 0.300 1 325 63 30 LEU CD1 C 21.320 0.300 1 326 63 30 LEU CD2 C 27.520 0.300 1 327 63 30 LEU CG C 26.357 0.300 1 328 63 30 LEU N N 129.111 0.500 1 329 64 31 ASP H H 7.854 0.050 1 330 64 31 ASP HA H 4.262 0.050 1 331 64 31 ASP HB2 H 2.694 0.050 2 332 64 31 ASP HB3 H 2.694 0.050 2 333 64 31 ASP C C 177.323 0.300 1 334 64 31 ASP CA C 58.454 0.300 1 335 64 31 ASP CB C 41.353 0.300 1 336 64 31 ASP N N 120.209 0.500 1 337 65 32 ALA H H 8.733 0.050 1 338 65 32 ALA HA H 4.388 0.050 1 339 65 32 ALA HB H 1.436 0.050 1 340 65 32 ALA C C 177.882 0.300 1 341 65 32 ALA CA C 52.565 0.300 1 342 65 32 ALA CB C 19.087 0.300 1 343 65 32 ALA N N 119.032 0.500 1 344 66 33 HIS H H 7.988 0.050 1 345 66 33 HIS HA H 3.987 0.050 1 346 66 33 HIS HB2 H 2.704 0.050 1 347 66 33 HIS HB3 H 3.015 0.050 1 348 66 33 HIS HD2 H 6.620 0.050 1 349 66 33 HIS HE2 H 7.740 0.050 1 350 66 33 HIS C C 176.453 0.300 1 351 66 33 HIS CA C 58.938 0.300 1 352 66 33 HIS CB C 31.139 0.300 1 353 66 33 HIS CD2 C 117.365 0.300 1 354 66 33 HIS CE1 C 139.544 0.300 1 355 66 33 HIS N N 119.091 0.500 1 356 66 33 HIS ND1 N 166.888 0.500 1 357 66 33 HIS NE2 N 249.473 0.500 1 358 67 34 GLU H H 8.030 0.050 1 359 67 34 GLU HA H 4.515 0.050 1 360 67 34 GLU HB2 H 2.103 0.050 1 361 67 34 GLU HB3 H 1.986 0.050 1 362 67 34 GLU HG2 H 2.406 0.050 2 363 67 34 GLU HG3 H 2.406 0.050 2 364 67 34 GLU C C 175.489 0.300 1 365 67 34 GLU CA C 55.675 0.300 1 366 67 34 GLU CB C 31.406 0.300 1 367 67 34 GLU CG C 36.010 0.300 1 368 67 34 GLU N N 123.242 0.500 1 369 68 35 ILE H H 9.391 0.050 1 370 68 35 ILE HA H 4.964 0.050 1 371 68 35 ILE HB H 1.675 0.050 1 372 68 35 ILE HD1 H 1.010 0.050 1 373 68 35 ILE HG12 H 1.917 0.050 2 374 68 35 ILE HG13 H 1.917 0.050 2 375 68 35 ILE HG2 H 0.956 0.050 1 376 68 35 ILE C C 175.028 0.300 1 377 68 35 ILE CA C 61.354 0.300 1 378 68 35 ILE CB C 39.270 0.300 1 379 68 35 ILE CD1 C 15.769 0.300 1 380 68 35 ILE CG1 C 28.164 0.300 1 381 68 35 ILE CG2 C 18.609 0.300 1 382 68 35 ILE N N 123.889 0.500 1 383 69 36 CYS H H 9.063 0.050 1 384 69 36 CYS HA H 5.454 0.050 1 385 69 36 CYS HB2 H 3.030 0.050 1 386 69 36 CYS HB3 H 2.451 0.050 1 387 69 36 CYS C C 172.516 0.300 1 388 69 36 CYS CA C 56.230 0.300 1 389 69 36 CYS CB C 32.516 0.300 1 390 69 36 CYS N N 123.437 0.500 1 391 70 37 LEU H H 9.202 0.050 1 392 70 37 LEU HA H 4.910 0.050 1 393 70 37 LEU HB2 H 1.959 0.050 1 394 70 37 LEU HB3 H 1.207 0.050 1 395 70 37 LEU HD1 H 0.687 0.050 2 396 70 37 LEU HD2 H 0.804 0.050 2 397 70 37 LEU HG H 1.463 0.050 1 398 70 37 LEU C C 175.637 0.300 1 399 70 37 LEU CA C 53.988 0.300 1 400 70 37 LEU CB C 44.679 0.300 1 401 70 37 LEU CD1 C 25.667 0.300 1 402 70 37 LEU CD2 C 24.033 0.300 1 403 70 37 LEU CG C 27.835 0.300 1 404 70 37 LEU N N 124.022 0.500 1 405 71 38 GLN H H 9.373 0.050 1 406 71 38 GLN HA H 3.808 0.050 1 407 71 38 GLN HB2 H 2.204 0.050 1 408 71 38 GLN HB3 H 2.289 0.050 1 409 71 38 GLN HE21 H 7.493 0.050 1 410 71 38 GLN HE22 H 6.864 0.050 1 411 71 38 GLN HG2 H 2.502 0.050 2 412 71 38 GLN HG3 H 2.502 0.050 2 413 71 38 GLN C C 174.999 0.300 1 414 71 38 GLN CA C 58.132 0.300 1 415 71 38 GLN CB C 26.540 0.300 1 416 71 38 GLN CD C 180.652 0.300 1 417 71 38 GLN CG C 34.182 0.300 1 418 71 38 GLN N N 127.914 0.500 1 419 71 38 GLN NE2 N 110.856 0.500 1 420 72 39 ASP H H 8.891 0.050 1 421 72 39 ASP HA H 4.111 0.050 1 422 72 39 ASP HB2 H 3.137 0.050 1 423 72 39 ASP HB3 H 2.905 0.050 1 424 72 39 ASP C C 175.263 0.300 1 425 72 39 ASP CA C 57.179 0.300 1 426 72 39 ASP CB C 40.371 0.300 1 427 72 39 ASP N N 109.718 0.500 1 428 73 40 ILE H H 7.973 0.050 1 429 73 40 ILE HA H 4.297 0.050 1 430 73 40 ILE HB H 2.243 0.050 1 431 73 40 ILE HD1 H 0.938 0.050 1 432 73 40 ILE HG12 H 1.623 0.050 1 433 73 40 ILE HG13 H 1.429 0.050 1 434 73 40 ILE HG2 H 1.015 0.050 1 435 73 40 ILE C C 176.013 0.300 1 436 73 40 ILE CA C 60.066 0.300 1 437 73 40 ILE CB C 37.656 0.300 1 438 73 40 ILE CD1 C 11.342 0.300 1 439 73 40 ILE CG1 C 27.077 0.300 1 440 73 40 ILE CG2 C 17.242 0.300 1 441 73 40 ILE N N 122.694 0.500 1 442 74 41 GLN H H 8.740 0.050 1 443 74 41 GLN HA H 4.522 0.050 1 444 74 41 GLN HB2 H 2.087 0.050 2 445 74 41 GLN HB3 H 2.087 0.050 2 446 74 41 GLN HE21 H 7.770 0.050 1 447 74 41 GLN HE22 H 6.826 0.050 1 448 74 41 GLN HG2 H 2.493 0.050 2 449 74 41 GLN HG3 H 2.493 0.050 2 450 74 41 GLN C C 175.747 0.300 1 451 74 41 GLN CA C 58.086 0.300 1 452 74 41 GLN CB C 29.342 0.300 1 453 74 41 GLN CD C 180.330 0.300 1 454 74 41 GLN CG C 34.406 0.300 1 455 74 41 GLN N N 128.272 0.500 1 456 74 41 GLN NE2 N 112.095 0.500 1 457 75 42 LEU H H 8.983 0.050 1 458 75 42 LEU HA H 4.599 0.050 1 459 75 42 LEU HB2 H 1.529 0.050 1 460 75 42 LEU HB3 H 1.258 0.050 1 461 75 42 LEU HD1 H 0.833 0.050 2 462 75 42 LEU HD2 H 0.792 0.050 2 463 75 42 LEU C C 176.010 0.300 1 464 75 42 LEU CA C 53.138 0.300 1 465 75 42 LEU CB C 44.230 0.300 1 466 75 42 LEU CD1 C 21.806 0.300 1 467 75 42 LEU CD2 C 27.757 0.300 1 468 75 42 LEU CG C 26.642 0.300 1 469 75 42 LEU N N 124.870 0.500 1 470 76 43 ASP H H 9.233 0.050 1 471 76 43 ASP HA H 5.000 0.050 1 472 76 43 ASP CA C 50.633 0.300 1 473 76 43 ASP CB C 41.989 0.300 1 474 76 43 ASP N N 122.450 0.500 1 475 77 44 PRO HA H 4.338 0.050 1 476 77 44 PRO HB2 H 2.220 0.050 2 477 77 44 PRO HB3 H 2.220 0.050 2 478 77 44 PRO HD2 H 4.174 0.050 2 479 77 44 PRO HD3 H 4.174 0.050 2 480 77 44 PRO HG2 H 2.165 0.050 2 481 77 44 PRO HG3 H 2.165 0.050 2 482 77 44 PRO C C 177.028 0.300 1 483 77 44 PRO CA C 63.633 0.300 1 484 77 44 PRO CB C 32.635 0.300 1 485 77 44 PRO CD C 51.205 0.300 1 486 77 44 PRO CG C 27.203 0.300 1 487 78 45 ASP H H 8.506 0.050 1 488 78 45 ASP HA H 4.803 0.050 1 489 78 45 ASP HB2 H 2.763 0.050 1 490 78 45 ASP HB3 H 2.903 0.050 1 491 78 45 ASP C C 175.897 0.300 1 492 78 45 ASP CA C 55.091 0.300 1 493 78 45 ASP CB C 41.315 0.300 1 494 78 45 ASP N N 117.235 0.500 1 495 79 46 ARG H H 7.694 0.050 1 496 79 46 ARG HA H 5.014 0.050 1 497 79 46 ARG HB2 H 1.743 0.050 1 498 79 46 ARG HB3 H 2.115 0.050 1 499 79 46 ARG HD2 H 3.295 0.050 1 500 79 46 ARG HD3 H 3.234 0.050 1 501 79 46 ARG HG2 H 1.736 0.050 1 502 79 46 ARG HG3 H 1.639 0.050 1 503 79 46 ARG C C 176.216 0.300 1 504 79 46 ARG CA C 53.949 0.300 1 505 79 46 ARG CB C 34.922 0.300 1 506 79 46 ARG CD C 44.176 0.300 1 507 79 46 ARG CG C 27.497 0.300 1 508 79 46 ARG N N 117.992 0.500 1 509 80 47 SER H H 9.415 0.050 1 510 80 47 SER HA H 4.912 0.050 1 511 80 47 SER HB2 H 4.818 0.050 1 512 80 47 SER HB3 H 3.635 0.050 1 513 80 47 SER C C 177.124 0.300 1 514 80 47 SER CA C 57.048 0.300 1 515 80 47 SER CB C 66.137 0.300 1 516 80 47 SER N N 119.911 0.500 1 517 81 48 LEU H H 9.280 0.050 1 518 81 48 LEU HA H 4.127 0.050 1 519 81 48 LEU HB2 H 2.082 0.050 1 520 81 48 LEU HB3 H 1.321 0.050 1 521 81 48 LEU HD1 H 0.807 0.050 2 522 81 48 LEU HD2 H 0.933 0.050 2 523 81 48 LEU C C 179.349 0.300 1 524 81 48 LEU CA C 58.522 0.300 1 525 81 48 LEU CB C 41.919 0.300 1 526 81 48 LEU CD1 C 22.993 0.300 1 527 81 48 LEU CD2 C 26.930 0.300 1 528 81 48 LEU N N 120.974 0.500 1 529 82 49 PHE H H 8.442 0.050 1 530 82 49 PHE HA H 4.636 0.050 1 531 82 49 PHE HB2 H 3.062 0.050 1 532 82 49 PHE HB3 H 3.185 0.050 1 533 82 49 PHE HD1 H 7.517 0.050 3 534 82 49 PHE HD2 H 7.517 0.050 3 535 82 49 PHE HE1 H 7.435 0.050 3 536 82 49 PHE HE2 H 7.435 0.050 3 537 82 49 PHE C C 179.630 0.300 1 538 82 49 PHE CA C 61.135 0.300 1 539 82 49 PHE CB C 40.322 0.300 1 540 82 49 PHE CD1 C 132.766 0.300 3 541 82 49 PHE CD2 C 132.766 0.300 3 542 82 49 PHE CE1 C 131.485 0.300 3 543 82 49 PHE CE2 C 131.485 0.300 3 544 82 49 PHE N N 121.713 0.500 1 545 83 50 ASP H H 8.368 0.050 1 546 83 50 ASP HA H 4.536 0.050 1 547 83 50 ASP HB2 H 2.887 0.050 2 548 83 50 ASP HB3 H 2.887 0.050 2 549 83 50 ASP C C 177.056 0.300 1 550 83 50 ASP CA C 56.009 0.300 1 551 83 50 ASP CB C 41.462 0.300 1 552 83 50 ASP N N 119.005 0.500 1 553 84 51 GLN H H 7.411 0.050 1 554 84 51 GLN HA H 4.529 0.050 1 555 84 51 GLN HB2 H 1.842 0.050 1 556 84 51 GLN HB3 H 2.587 0.050 1 557 84 51 GLN HE21 H 6.399 0.050 1 558 84 51 GLN HE22 H 6.921 0.050 1 559 84 51 GLN HG2 H 2.667 0.050 1 560 84 51 GLN HG3 H 2.103 0.050 1 561 84 51 GLN C C 174.726 0.300 1 562 84 51 GLN CA C 55.714 0.300 1 563 84 51 GLN CB C 29.767 0.300 1 564 84 51 GLN CD C 181.072 0.300 1 565 84 51 GLN CG C 36.918 0.300 1 566 84 51 GLN N N 116.351 0.500 1 567 84 51 GLN NE2 N 112.285 0.500 1 568 85 52 GLY H H 7.172 0.050 1 569 85 52 GLY HA2 H 4.448 0.050 1 570 85 52 GLY HA3 H 3.545 0.050 1 571 85 52 GLY C C 173.892 0.300 1 572 85 52 GLY CA C 45.782 0.300 1 573 85 52 GLY N N 103.700 0.500 1 574 86 53 VAL H H 8.022 0.050 1 575 86 53 VAL HA H 4.042 0.050 1 576 86 53 VAL HB H 1.923 0.050 1 577 86 53 VAL HG1 H 0.682 0.050 2 578 86 53 VAL HG2 H 0.850 0.050 2 579 86 53 VAL C C 173.892 0.300 1 580 86 53 VAL CA C 62.024 0.300 1 581 86 53 VAL CB C 29.836 0.300 1 582 86 53 VAL CG1 C 20.004 0.300 1 583 86 53 VAL CG2 C 22.315 0.300 1 584 86 53 VAL N N 123.486 0.500 1 585 87 54 LYS H H 7.917 0.050 1 586 87 54 LYS HA H 4.292 0.050 1 587 87 54 LYS HB2 H 1.798 0.050 1 588 87 54 LYS HB3 H 1.678 0.050 1 589 87 54 LYS HD2 H 1.235 0.050 1 590 87 54 LYS HD3 H 1.144 0.050 1 591 87 54 LYS HE2 H 2.801 0.050 1 592 87 54 LYS HE3 H 2.700 0.050 1 593 87 54 LYS HG2 H 1.283 0.050 1 594 87 54 LYS HG3 H 0.974 0.050 1 595 87 54 LYS C C 175.786 0.300 1 596 87 54 LYS CA C 55.055 0.300 1 597 87 54 LYS CB C 30.200 0.300 1 598 87 54 LYS CD C 28.515 0.300 1 599 87 54 LYS CE C 42.570 0.300 1 600 87 54 LYS CG C 23.920 0.300 1 601 87 54 LYS N N 124.537 0.500 1 602 88 55 THR H H 7.608 0.050 1 603 88 55 THR HA H 4.630 0.050 1 604 88 55 THR HB H 4.263 0.050 1 605 88 55 THR HG2 H 1.021 0.050 1 606 88 55 THR C C 171.054 0.300 1 607 88 55 THR CA C 60.166 0.300 1 608 88 55 THR CB C 68.434 0.300 1 609 88 55 THR CG2 C 19.327 0.300 1 610 88 55 THR N N 119.508 0.500 1 611 89 56 ASP H H 8.429 0.050 1 612 89 56 ASP HA H 5.017 0.050 1 613 89 56 ASP HB2 H 2.618 0.050 2 614 89 56 ASP HB3 H 2.618 0.050 2 615 89 56 ASP C C 175.334 0.300 1 616 89 56 ASP CA C 53.375 0.300 1 617 89 56 ASP CB C 44.546 0.300 1 618 89 56 ASP N N 119.681 0.500 1 619 90 57 GLY H H 8.389 0.050 1 620 90 57 GLY HA2 H 4.082 0.050 1 621 90 57 GLY HA3 H 3.921 0.050 1 622 90 57 GLY C C 172.844 0.300 1 623 90 57 GLY CA C 45.909 0.300 1 624 90 57 GLY N N 108.813 0.500 1 625 91 58 THR H H 8.229 0.050 1 626 91 58 THR HA H 4.707 0.050 1 627 91 58 THR HB H 3.998 0.050 1 628 91 58 THR HG2 H 1.202 0.050 1 629 91 58 THR C C 175.188 0.300 1 630 91 58 THR CA C 62.966 0.300 1 631 91 58 THR CB C 69.842 0.300 1 632 91 58 THR CG2 C 22.536 0.300 1 633 91 58 THR N N 116.382 0.500 1 634 92 59 VAL H H 9.062 0.050 1 635 92 59 VAL HA H 4.966 0.050 1 636 92 59 VAL HB H 1.998 0.050 1 637 92 59 VAL HG1 H 0.797 0.050 2 638 92 59 VAL HG2 H 0.819 0.050 2 639 92 59 VAL C C 173.442 0.300 1 640 92 59 VAL CA C 58.901 0.300 1 641 92 59 VAL CB C 35.286 0.300 1 642 92 59 VAL CG1 C 18.913 0.300 1 643 92 59 VAL CG2 C 23.147 0.300 1 644 92 59 VAL N N 118.935 0.500 1 645 93 60 GLN H H 9.234 0.050 1 646 93 60 GLN HA H 4.498 0.050 1 647 93 60 GLN HB2 H 1.968 0.050 2 648 93 60 GLN HB3 H 1.968 0.050 2 649 93 60 GLN HE21 H 7.404 0.050 1 650 93 60 GLN HE22 H 6.684 0.050 1 651 93 60 GLN HG2 H 2.224 0.050 1 652 93 60 GLN HG3 H 2.098 0.050 1 653 93 60 GLN C C 175.272 0.300 1 654 93 60 GLN CA C 54.978 0.300 1 655 93 60 GLN CB C 30.204 0.300 1 656 93 60 GLN CD C 179.369 0.300 1 657 93 60 GLN CG C 33.748 0.300 1 658 93 60 GLN N N 119.943 0.500 1 659 93 60 GLN NE2 N 110.549 0.500 1 660 94 61 LEU H H 8.850 0.050 1 661 94 61 LEU HA H 5.173 0.050 1 662 94 61 LEU HB2 H 2.098 0.050 1 663 94 61 LEU HB3 H 1.327 0.050 1 664 94 61 LEU HD1 H 0.840 0.050 2 665 94 61 LEU HD2 H 0.883 0.050 2 666 94 61 LEU HG H 1.950 0.050 1 667 94 61 LEU C C 177.125 0.300 1 668 94 61 LEU CA C 53.267 0.300 1 669 94 61 LEU CB C 44.142 0.300 1 670 94 61 LEU CD1 C 24.624 0.300 1 671 94 61 LEU CD2 C 26.910 0.300 1 672 94 61 LEU CG C 26.890 0.300 1 673 94 61 LEU N N 125.686 0.500 1 674 95 62 SER H H 8.162 0.050 1 675 95 62 SER HA H 5.057 0.050 1 676 95 62 SER HB2 H 3.854 0.050 2 677 95 62 SER HB3 H 3.854 0.050 2 678 95 62 SER C C 174.056 0.300 1 679 95 62 SER CA C 57.126 0.300 1 680 95 62 SER CB C 63.568 0.300 1 681 95 62 SER N N 117.605 0.500 1 682 96 63 VAL H H 9.411 0.050 1 683 96 63 VAL HA H 4.752 0.050 1 684 96 63 VAL HB H 2.082 0.050 1 685 96 63 VAL HG1 H 0.923 0.050 2 686 96 63 VAL HG2 H 0.753 0.050 2 687 96 63 VAL C C 173.839 0.300 1 688 96 63 VAL CA C 61.170 0.300 1 689 96 63 VAL CB C 34.656 0.300 1 690 96 63 VAL CG1 C 22.396 0.300 1 691 96 63 VAL CG2 C 22.230 0.300 1 692 96 63 VAL N N 126.746 0.500 1 693 97 64 GLN H H 9.468 0.050 1 694 97 64 GLN HA H 4.997 0.050 1 695 97 64 GLN HB2 H 2.106 0.050 1 696 97 64 GLN HB3 H 2.319 0.050 1 697 97 64 GLN HE21 H 7.581 0.050 1 698 97 64 GLN HE22 H 6.855 0.050 1 699 97 64 GLN HG2 H 2.431 0.050 1 700 97 64 GLN HG3 H 2.179 0.050 1 701 97 64 GLN C C 174.700 0.300 1 702 97 64 GLN CA C 54.573 0.300 1 703 97 64 GLN CB C 31.475 0.300 1 704 97 64 GLN CD C 179.171 0.300 1 705 97 64 GLN CG C 34.464 0.300 1 706 97 64 GLN N N 128.141 0.500 1 707 97 64 GLN NE2 N 111.527 0.500 1 708 98 65 VAL H H 9.018 0.050 1 709 98 65 VAL HA H 4.518 0.050 1 710 98 65 VAL HB H 2.196 0.050 1 711 98 65 VAL HG1 H 0.882 0.050 2 712 98 65 VAL HG2 H 0.873 0.050 2 713 98 65 VAL C C 175.371 0.300 1 714 98 65 VAL CA C 62.289 0.300 1 715 98 65 VAL CB C 31.878 0.300 1 716 98 65 VAL CG1 C 20.811 0.300 1 717 98 65 VAL CG2 C 21.132 0.300 1 718 98 65 VAL N N 128.814 0.500 1 719 99 66 ILE H H 9.060 0.050 1 720 99 66 ILE HA H 4.445 0.050 1 721 99 66 ILE HB H 1.948 0.050 1 722 99 66 ILE HD1 H 0.880 0.050 1 723 99 66 ILE HG12 H 1.146 0.050 1 724 99 66 ILE HG13 H 1.489 0.050 1 725 99 66 ILE HG2 H 0.909 0.050 1 726 99 66 ILE C C 174.888 0.300 1 727 99 66 ILE CA C 60.490 0.300 1 728 99 66 ILE CB C 39.629 0.300 1 729 99 66 ILE CD1 C 13.196 0.300 1 730 99 66 ILE CG1 C 27.371 0.300 1 731 99 66 ILE CG2 C 17.766 0.300 1 732 99 66 ILE N N 128.872 0.500 1 733 100 67 SER H H 8.275 0.050 1 734 100 67 SER HA H 4.720 0.050 1 735 100 67 SER HB2 H 3.694 0.050 1 736 100 67 SER HB3 H 3.931 0.050 1 737 100 67 SER C C 173.692 0.300 1 738 100 67 SER CA C 56.644 0.300 1 739 100 67 SER CB C 64.119 0.300 1 740 100 67 SER N N 120.518 0.500 1 741 101 68 TYR H H 7.882 0.050 1 742 101 68 TYR HA H 4.662 0.050 1 743 101 68 TYR HB2 H 3.152 0.050 1 744 101 68 TYR HB3 H 2.895 0.050 1 745 101 68 TYR HD1 H 7.214 0.050 3 746 101 68 TYR HD2 H 7.214 0.050 3 747 101 68 TYR HE1 H 6.873 0.050 3 748 101 68 TYR HE2 H 6.873 0.050 3 749 101 68 TYR C C 175.785 0.300 1 750 101 68 TYR CA C 57.183 0.300 1 751 101 68 TYR CB C 39.435 0.300 1 752 101 68 TYR CD1 C 133.456 0.300 3 753 101 68 TYR CD2 C 133.456 0.300 3 754 101 68 TYR CE1 C 118.397 0.300 3 755 101 68 TYR CE2 C 118.397 0.300 3 756 101 68 TYR N N 122.086 0.500 1 757 102 69 GLN H H 8.607 0.050 1 758 102 69 GLN HA H 4.143 0.050 1 759 102 69 GLN HB2 H 2.085 0.050 2 760 102 69 GLN HB3 H 2.085 0.050 2 761 102 69 GLN HE21 H 7.541 0.050 1 762 102 69 GLN HE22 H 6.890 0.050 1 763 102 69 GLN HG2 H 2.394 0.050 2 764 102 69 GLN HG3 H 2.394 0.050 2 765 102 69 GLN C C 176.755 0.300 1 766 102 69 GLN CA C 57.513 0.300 1 767 102 69 GLN CB C 28.485 0.300 1 768 102 69 GLN CD C 180.417 0.300 1 769 102 69 GLN CG C 33.749 0.300 1 770 102 69 GLN N N 122.523 0.500 1 771 102 69 GLN NE2 N 112.050 0.500 1 772 103 70 GLY H H 8.738 0.050 1 773 103 70 GLY HA2 H 4.207 0.050 1 774 103 70 GLY HA3 H 3.756 0.050 1 775 103 70 GLY C C 173.643 0.300 1 776 103 70 GLY CA C 45.471 0.300 1 777 103 70 GLY N N 111.544 0.500 1 778 104 71 MET H H 7.760 0.050 1 779 104 71 MET HA H 4.763 0.050 1 780 104 71 MET HB2 H 2.070 0.050 1 781 104 71 MET HB3 H 1.940 0.050 1 782 104 71 MET HE H 2.130 0.050 1 783 104 71 MET HG2 H 2.487 0.050 2 784 104 71 MET HG3 H 2.487 0.050 2 785 104 71 MET C C 175.450 0.300 1 786 104 71 MET CA C 53.993 0.300 1 787 104 71 MET CB C 34.735 0.300 1 788 104 71 MET CE C 17.295 0.300 1 789 104 71 MET CG C 32.052 0.300 1 790 104 71 MET N N 118.042 0.500 1 791 105 72 GLU H H 8.603 0.050 1 792 105 72 GLU HA H 4.505 0.050 1 793 105 72 GLU CA C 55.152 0.300 1 794 105 72 GLU CB C 28.679 0.300 1 795 105 72 GLU N N 123.382 0.500 1 796 106 73 PRO HA H 4.559 0.050 1 797 106 73 PRO HB2 H 1.529 0.050 1 798 106 73 PRO HB3 H 0.323 0.050 1 799 106 73 PRO HD2 H 3.665 0.050 1 800 106 73 PRO HG2 H 1.700 0.050 1 801 106 73 PRO HG3 H 1.602 0.050 1 802 106 73 PRO C C 176.935 0.300 1 803 106 73 PRO CA C 62.852 0.300 1 804 106 73 PRO CB C 29.828 0.300 1 805 106 73 PRO CD C 50.337 0.300 1 806 106 73 PRO CG C 27.127 0.300 1 807 107 74 LYS H H 8.711 0.050 1 808 107 74 LYS HA H 5.272 0.050 1 809 107 74 LYS HB2 H 1.669 0.050 1 810 107 74 LYS HB3 H 1.778 0.050 1 811 107 74 LYS HD2 H 1.768 0.050 1 812 107 74 LYS HD3 H 1.660 0.050 1 813 107 74 LYS HE2 H 2.960 0.050 2 814 107 74 LYS HE3 H 2.960 0.050 2 815 107 74 LYS HG2 H 1.432 0.050 1 816 107 74 LYS HG3 H 1.365 0.050 1 817 107 74 LYS C C 174.832 0.300 1 818 107 74 LYS CA C 55.277 0.300 1 819 107 74 LYS CB C 37.919 0.300 1 820 107 74 LYS CD C 29.876 0.300 1 821 107 74 LYS CE C 42.357 0.300 1 822 107 74 LYS CG C 24.841 0.300 1 823 107 74 LYS N N 120.123 0.500 1 824 108 75 LEU H H 9.202 0.050 1 825 108 75 LEU HA H 4.966 0.050 1 826 108 75 LEU HB2 H 1.993 0.050 1 827 108 75 LEU HB3 H 1.130 0.050 1 828 108 75 LEU HD1 H 0.836 0.050 2 829 108 75 LEU HD2 H 0.827 0.050 2 830 108 75 LEU HG H 1.747 0.050 1 831 108 75 LEU C C 173.981 0.300 1 832 108 75 LEU CA C 53.553 0.300 1 833 108 75 LEU CB C 42.731 0.300 1 834 108 75 LEU CD1 C 25.399 0.300 1 835 108 75 LEU CD2 C 26.568 0.300 1 836 108 75 LEU CG C 26.590 0.300 1 837 108 75 LEU N N 123.641 0.500 1 838 109 76 ASN H H 9.310 0.050 1 839 109 76 ASN HA H 5.242 0.050 1 840 109 76 ASN HB2 H 3.043 0.050 1 841 109 76 ASN HB3 H 2.349 0.050 1 842 109 76 ASN HD21 H 7.254 0.050 1 843 109 76 ASN HD22 H 6.817 0.050 1 844 109 76 ASN C C 174.348 0.300 1 845 109 76 ASN CA C 51.511 0.300 1 846 109 76 ASN CB C 40.502 0.300 1 847 109 76 ASN CG C 174.514 0.300 1 848 109 76 ASN N N 122.065 0.500 1 849 109 76 ASN ND2 N 110.556 0.500 1 850 110 77 ILE H H 9.462 0.050 1 851 110 77 ILE HA H 4.245 0.050 1 852 110 77 ILE HB H 2.147 0.050 1 853 110 77 ILE HD1 H 0.843 0.050 1 854 110 77 ILE HG12 H 0.841 0.050 1 855 110 77 ILE HG13 H 1.928 0.050 1 856 110 77 ILE HG2 H 0.881 0.050 1 857 110 77 ILE C C 175.126 0.300 1 858 110 77 ILE CA C 62.636 0.300 1 859 110 77 ILE CB C 38.298 0.300 1 860 110 77 ILE CD1 C 14.666 0.300 1 861 110 77 ILE CG1 C 27.789 0.300 1 862 110 77 ILE CG2 C 19.471 0.300 1 863 110 77 ILE N N 128.023 0.500 1 864 111 78 LEU H H 9.107 0.050 1 865 111 78 LEU HA H 4.449 0.050 1 866 111 78 LEU HB2 H 1.641 0.050 2 867 111 78 LEU HB3 H 1.641 0.050 2 868 111 78 LEU HD1 H 0.821 0.050 2 869 111 78 LEU HD2 H 0.923 0.050 2 870 111 78 LEU HG H 1.769 0.050 1 871 111 78 LEU C C 177.680 0.300 1 872 111 78 LEU CA C 55.771 0.300 1 873 111 78 LEU CB C 44.107 0.300 1 874 111 78 LEU CD1 C 22.879 0.300 1 875 111 78 LEU CD2 C 26.043 0.300 1 876 111 78 LEU CG C 26.785 0.300 1 877 111 78 LEU N N 128.129 0.500 1 878 112 79 GLU H H 7.423 0.050 1 879 112 79 GLU HA H 4.650 0.050 1 880 112 79 GLU HB2 H 2.231 0.050 1 881 112 79 GLU HB3 H 2.006 0.050 1 882 112 79 GLU HG2 H 2.237 0.050 2 883 112 79 GLU HG3 H 2.237 0.050 2 884 112 79 GLU C C 173.591 0.300 1 885 112 79 GLU CA C 55.383 0.300 1 886 112 79 GLU CB C 34.127 0.300 1 887 112 79 GLU CG C 36.515 0.300 1 888 112 79 GLU N N 114.952 0.500 1 889 113 80 ILE H H 8.635 0.050 1 890 113 80 ILE HA H 4.491 0.050 1 891 113 80 ILE HB H 1.789 0.050 1 892 113 80 ILE HD1 H 0.819 0.050 1 893 113 80 ILE HG12 H 1.479 0.050 1 894 113 80 ILE HG13 H 0.876 0.050 1 895 113 80 ILE HG2 H 0.728 0.050 1 896 113 80 ILE C C 174.790 0.300 1 897 113 80 ILE CA C 61.686 0.300 1 898 113 80 ILE CB C 39.938 0.300 1 899 113 80 ILE CD1 C 15.462 0.300 1 900 113 80 ILE CG1 C 27.176 0.300 1 901 113 80 ILE CG2 C 17.377 0.300 1 902 113 80 ILE N N 123.373 0.500 1 903 114 81 VAL H H 8.807 0.050 1 904 114 81 VAL HA H 4.592 0.050 1 905 114 81 VAL HB H 2.121 0.050 1 906 114 81 VAL HG2 H 0.956 0.050 2 907 114 81 VAL C C 174.950 0.300 1 908 114 81 VAL CA C 60.817 0.300 1 909 114 81 VAL CB C 35.308 0.300 1 910 114 81 VAL CG2 C 21.263 0.300 1 911 114 81 VAL N N 125.467 0.500 1 912 115 82 LYS H H 8.773 0.050 1 913 115 82 LYS HA H 4.700 0.050 1 914 115 82 LYS HB2 H 2.012 0.050 1 915 115 82 LYS HB3 H 1.764 0.050 1 916 115 82 LYS HD2 H 1.878 0.050 1 917 115 82 LYS HD3 H 1.788 0.050 1 918 115 82 LYS HE2 H 3.126 0.050 2 919 115 82 LYS HE3 H 3.126 0.050 2 920 115 82 LYS HG2 H 1.575 0.050 2 921 115 82 LYS HG3 H 1.575 0.050 2 922 115 82 LYS C C 176.431 0.300 1 923 115 82 LYS CA C 56.098 0.300 1 924 115 82 LYS CB C 33.533 0.300 1 925 115 82 LYS CD C 29.262 0.300 1 926 115 82 LYS CE C 42.329 0.300 1 927 115 82 LYS CG C 25.041 0.300 1 928 115 82 LYS N N 126.101 0.500 1 929 116 83 THR H H 8.377 0.050 1 930 116 83 THR HA H 4.254 0.050 1 931 116 83 THR HB H 4.254 0.050 1 932 116 83 THR HG2 H 1.244 0.050 1 933 116 83 THR C C 174.107 0.300 1 934 116 83 THR CA C 62.605 0.300 1 935 116 83 THR CB C 69.398 0.300 1 936 116 83 THR CG2 C 22.031 0.300 1 937 116 83 THR N N 118.086 0.500 1 938 117 84 ALA H H 8.465 0.050 1 939 117 84 ALA HA H 4.414 0.050 1 940 117 84 ALA HB H 1.489 0.050 1 941 117 84 ALA C C 177.218 0.300 1 942 117 84 ALA CA C 52.613 0.300 1 943 117 84 ALA CB C 19.592 0.300 1 944 117 84 ALA N N 125.448 0.500 1 945 118 85 GLU H H 8.330 0.050 1 946 118 85 GLU HA H 4.453 0.050 1 947 118 85 GLU HB2 H 2.135 0.050 1 948 118 85 GLU HB3 H 1.998 0.050 1 949 118 85 GLU HG2 H 2.331 0.050 2 950 118 85 GLU HG3 H 2.331 0.050 2 951 118 85 GLU C C 176.275 0.300 1 952 118 85 GLU CA C 56.395 0.300 1 953 118 85 GLU CB C 31.140 0.300 1 954 118 85 GLU CG C 36.381 0.300 1 955 118 85 GLU N N 120.094 0.500 1 956 119 86 THR H H 8.336 0.050 1 957 119 86 THR HA H 4.408 0.050 1 958 119 86 THR HB H 4.186 0.050 1 959 119 86 THR HG2 H 1.221 0.050 1 960 119 86 THR C C 174.157 0.300 1 961 119 86 THR CA C 62.157 0.300 1 962 119 86 THR CB C 69.911 0.300 1 963 119 86 THR CG2 C 21.873 0.300 1 964 119 86 THR N N 116.733 0.500 1 965 120 87 VAL H H 8.289 0.050 1 966 120 87 VAL HA H 4.145 0.050 1 967 120 87 VAL HB H 1.968 0.050 1 968 120 87 VAL HG1 H 0.872 0.050 2 969 120 87 VAL HG2 H 0.820 0.050 2 970 120 87 VAL C C 175.258 0.300 1 971 120 87 VAL CA C 62.157 0.300 1 972 120 87 VAL CB C 33.101 0.300 1 973 120 87 VAL CG1 C 20.490 0.300 1 974 120 87 VAL CG2 C 21.309 0.300 1 975 120 87 VAL N N 123.901 0.500 1 976 121 88 GLU H H 8.258 0.050 1 977 121 88 GLU HA H 4.383 0.050 1 978 121 88 GLU HB2 H 1.882 0.050 1 979 121 88 GLU HB3 H 2.043 0.050 1 980 121 88 GLU HG2 H 2.211 0.050 2 981 121 88 GLU HG3 H 2.211 0.050 2 982 121 88 GLU C C 174.880 0.300 1 983 121 88 GLU CA C 56.111 0.300 1 984 121 88 GLU CB C 31.121 0.300 1 985 121 88 GLU CG C 36.403 0.300 1 986 121 88 GLU N N 125.051 0.500 1 987 122 89 TRP H H 7.646 0.050 1 988 122 89 TRP HA H 4.566 0.050 1 989 122 89 TRP HD1 H 7.212 0.050 1 990 122 89 TRP HE1 H 10.034 0.050 1 991 122 89 TRP HE3 H 7.628 0.050 1 992 122 89 TRP HH2 H 7.196 0.050 1 993 122 89 TRP HZ2 H 7.434 0.050 1 994 122 89 TRP HZ3 H 7.164 0.050 1 995 122 89 TRP CA C 58.702 0.300 1 996 122 89 TRP CB C 30.501 0.300 1 997 122 89 TRP CD1 C 127.106 0.300 1 998 122 89 TRP CE3 C 121.300 0.300 1 999 122 89 TRP CH2 C 124.235 0.300 1 1000 122 89 TRP CZ2 C 114.446 0.300 1 1001 122 89 TRP CZ3 C 121.951 0.300 1 1002 122 89 TRP N N 127.244 0.500 1 1003 122 89 TRP NE1 N 128.812 0.500 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D HNHA' stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 600 _Mol_system_component_name OST_(On-SighT) _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 HNHA 4 CYS HN 4 CYS HA 7.28 . . . 2 HNHA 5 VAL HN 5 VAL HA 10.02 . . . 3 HNHA 6 SER HN 6 SER HA 9.29 . . . 4 HNHA 7 GLN HN 7 GLN HA 8.23 . . . 5 HNHA 8 ALA HN 8 ALA HA 6.50 . . . 6 HNHA 9 ILE HN 9 ILE HA 7.51 . . . 7 HNHA 10 ASP HN 10 ASP HA 6.46 . . . 8 HNHA 17 ASN HN 17 ASN HA 4.84 . . . 9 HNHA 18 LEU HN 18 LEU HA 3.60 . . . 10 HNHA 19 LYS HN 19 LYS HA 5.16 . . . 11 HNHA 20 LYS HN 20 LYS HA 6.05 . . . 12 HNHA 21 LEU HN 21 LEU HA 5.87 . . . 13 HNHA 22 LEU HN 22 LEU HA 7.13 . . . 14 HNHA 23 GLU HN 23 GLU HA 2.52 . . . 15 HNHA 25 ARG HN 25 ARG HA 8.24 . . . 16 HNHA 26 LEU HN 26 LEU HA 7.17 . . . 17 HNHA 29 SER HN 29 SER HA 6.69 . . . 18 HNHA 31 ASP HN 31 ASP HA 2.46 . . . 19 HNHA 32 ALA HN 32 ALA HA 7.37 . . . 20 HNHA 35 ILE HN 35 ILE HA 9.05 . . . 21 HNHA 36 CYS HN 36 CYS HA 10.21 . . . 22 HNHA 37 LEU HN 37 LEU HA 9.22 . . . 23 HNHA 40 ILE HN 40 ILE HA 8.92 . . . 24 HNHA 42 LEU HN 42 LEU HA 9.19 . . . 25 HNHA 43 ASP HN 43 ASP HA 8.00 . . . 26 HNHA 46 ARG HN 46 ARG HA 10.04 . . . 27 HNHA 47 SER HN 47 SER HA 5.24 . . . 28 HNHA 48 LEU HN 48 LEU HA 4.93 . . . 29 HNHA 49 PHE HN 49 PHE HA 3.40 . . . 30 HNHA 50 ASP HN 50 ASP HA 5.37 . . . 31 HNHA 51 GLN HN 51 GLN HA 10.28 . . . 32 HNHA 54 LYS HN 54 LYS HA 8.96 . . . 33 HNHA 56 ASP HN 56 ASP HA 9.16 . . . 34 HNHA 58 THR HN 58 THR HA 7.28 . . . 35 HNHA 59 VAL HN 59 VAL HA 10.23 . . . 36 HNHA 60 GLN HN 60 GLN HA 9.11 . . . 37 HNHA 61 LEU HN 61 LEU HA 9.09 . . . 38 HNHA 63 VAL HN 63 VAL HA 9.67 . . . 39 HNHA 64 GLN HN 64 GLN HA 7.56 . . . 40 HNHA 65 VAL HN 65 VAL HA 11.54 . . . 41 HNHA 66 ILE HN 66 ILE HA 9.64 . . . 42 HNHA 67 SER HN 67 SER HA 9.16 . . . 43 HNHA 71 MET HN 71 MET HA 9.23 . . . 44 HNHA 72 GLU HN 72 GLU HA 6.73 . . . 45 HNHA 74 LYS HN 74 LYS HA 9.10 . . . 46 HNHA 75 LEU HN 75 LEU HA 10.15 . . . 47 HNHA 76 ASN HN 76 ASN HA 9.59 . . . 48 HNHA 77 ILE HN 77 ILE HA 7.86 . . . 49 HNHA 78 LEU HN 78 LEU HA 8.73 . . . 50 HNHA 79 GLU HN 79 GLU HA 7.30 . . . 51 HNHA 80 ILE HN 80 ILE HA 6.36 . . . 52 HNHA 81 VAL HN 81 VAL HA 9.80 . . . 53 HNHA 82 LYS HN 82 LYS HA 9.71 . . . 54 HNHA 84 ALA HN 84 ALA HA 6.77 . . . 55 HNHA 85 GLU HN 85 GLU HA 13.54 . . . 56 HNHA 86 THR HN 86 THR HA 8.31 . . . 57 HNHA 87 VAL HN 87 VAL HA 10.00 . . . stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $15N_GABPa_OST stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DHN 6 SER N 6 SER H -11.8 ? ? . . . DHN 7 GLN N 7 GLN H -21.6 ? ? . . . DHN 8 ALA N 8 ALA H -17.8 ? ? . . . DHN 9 ILE N 9 ILE H 0.2 ? ? . . . DHN 10 ASP N 10 ASP H 0.6 ? ? . . . DHN 11 ILE N 11 ILE H 22.7 ? ? . . . DHN 12 ASN N 12 ASN H -7.5 ? ? . . . DHN 15 ILE N 15 ILE H -11.4 ? ? . . . DHN 16 GLY N 16 GLY H -3.8 ? ? . . . DHN 17 ASN N 17 ASN H 12.6 ? ? . . . DHN 18 LEU N 18 LEU H -15.4 ? ? . . . DHN 19 LYS N 19 LYS H -5.5 ? ? . . . DHN 21 LEU N 21 LEU H -14.0 ? ? . . . DHN 22 LEU N 22 LEU H -10.5 ? ? . . . DHN 23 GLU N 23 GLU H 0.3 ? ? . . . DHN 27 GLN N 27 GLN H 15.0 ? ? . . . DHN 28 CYS N 28 CYS H 24.8 ? ? . . . DHN 30 LEU N 30 LEU H -9.1 ? ? . . . DHN 31 ASP N 31 ASP H -8.0 ? ? . . . DHN 32 ALA N 32 ALA H -2.9 ? ? . . . DHN 33 HIS N 33 HIS H -21.4 ? ? . . . DHN 34 GLU N 34 GLU H 1.8 ? ? . . . DHN 36 CYS N 36 CYS H -7.1 ? ? . . . DHN 37 LEU N 37 LEU H -7.7 ? ? . . . DHN 38 GLN N 38 GLN H -4.1 ? ? . . . DHN 39 ASP N 39 ASP H -14.2 ? ? . . . DHN 40 ILE N 40 ILE H 16.6 ? ? . . . DHN 42 LEU N 42 LEU H 1.6 ? ? . . . DHN 43 ASP N 43 ASP H 26.6 ? ? . . . DHN 45 ASP N 45 ASP H -11.4 ? ? . . . DHN 46 ARG N 46 ARG H 1.6 ? ? . . . DHN 47 SER N 47 SER H 2.7 ? ? . . . DHN 48 LEU N 48 LEU H -19.1 ? ? . . . DHN 49 PHE N 49 PHE H -26.8 ? ? . . . DHN 50 ASP N 50 ASP H -15.6 ? ? . . . DHN 51 GLN N 51 GLN H -11.9 ? ? . . . DHN 52 GLY N 52 GLY H -10.2 ? ? . . . DHN 53 VAL N 53 VAL H -6.1 ? ? . . . DHN 59 VAL N 59 VAL H 9.1 ? ? . . . DHN 60 GLN N 60 GLN H -0.5 ? ? . . . DHN 63 VAL N 63 VAL H -16.2 ? ? . . . DHN 65 VAL N 65 VAL H -5.7 ? ? . . . DHN 66 ILE N 66 ILE H -4.0 ? ? . . . DHN 67 SER N 67 SER H -7.1 ? ? . . . DHN 74 LYS N 74 LYS H -2.1 ? ? . . . DHN 75 LEU N 75 LEU H -5.8 ? ? . . . DHN 76 ASN N 76 ASN H -1.9 ? ? . . . DHN 78 LEU N 78 LEU H -10.4 ? ? . . . DHN 81 VAL N 81 VAL H -17.9 ? ? . . . DHN 82 LYS N 82 LYS H -18.8 ? ? . . . stop_ _Details . _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $15N_GABPa_OST stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name OST_(On-SighT) _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ALA N 0.5578 0.0242 2 3 GLU N 0.4996 0.0124 3 4 CYS N 0.5092 0.0072 4 5 VAL N 0.4558 0.0039 5 6 SER N 0.4542 0.0054 6 7 GLN N 0.4207 0.0048 7 8 ALA N 0.4211 0.0045 8 9 ILE N 0.4237 0.004 9 10 ASP N 0.4364 0.0036 10 11 ILE N 0.4395 0.002 11 12 ASN N 0.4264 0.0044 12 13 GLU N 0.42 0.0026 13 15 ILE N 0.4098 0.0033 14 16 GLY N 0.4043 0.0079 15 17 ASN N 0.4124 0.0042 16 18 LEU N 0.4037 0.0038 17 19 LYS N 0.4265 0.0016 18 20 LYS N 0.4647 0.0043 19 21 LEU N 0.4259 0.0023 20 22 LEU N 0.4351 0.003 21 23 GLU N 0.434 0.0028 22 25 ARG N 0.4484 0.003 23 27 GLN N 0.474 0.0056 24 28 CYS N 0.5005 0.0057 25 29 SER N 0.5256 0.0262 26 30 LEU N 0.4731 0.005 27 31 ASP N 0.4286 0.0012 28 32 ALA N 0.4286 0.0085 29 33 HIS N 0.4602 0.007 30 34 GLU N 0.4653 0.0034 31 35 ILE N 0.4886 0.0026 32 36 CYS N 0.4293 0.0035 33 37 LEU N 0.4364 0.0062 34 38 GLN N 0.4206 0.003 35 39 ASP N 0.4446 0.0024 36 40 ILE N 0.471 0.0028 37 41 GLN N 0.4617 0.002 38 42 LEU N 0.4465 0.0048 39 43 ASP N 0.4585 0.0047 40 45 ASP N 0.4269 0.0078 41 46 ARG N 0.459 0.0037 42 47 SER N 0.441 0.0056 43 48 LEU N 0.4247 0.0101 44 49 PHE N 0.4153 0.0034 45 50 ASP N 0.419 0.0024 46 51 GLN N 0.4657 0.0032 47 52 GLY N 0.4763 0.0021 48 53 VAL N 0.426 0.0042 49 54 LYS N 0.4715 0.0023 50 55 THR N 0.5584 0.0045 51 56 ASP N 0.4815 0.0069 52 57 GLY N 0.4792 0.0024 53 58 THR N 0.5102 0.0069 54 59 VAL N 0.4329 0.0037 55 60 GLN N 0.4292 0.0045 56 61 LEU N 0.4197 0.0033 57 63 VAL N 0.4346 0.0042 58 65 VAL N 0.4315 0.0052 59 66 ILE N 0.4304 0.006 60 67 SER N 0.4382 0.0061 61 68 TYR N 0.5776 0.0071 62 69 GLN N 0.4829 0.0104 63 70 GLY N 0.4908 0.122 64 71 MET N 0.4586 0.0018 65 74 LYS N 0.4362 0.0065 66 75 LEU N 0.4428 0.0069 67 76 ASN N 0.4452 0.0027 68 77 ILE N 0.4284 0.0026 69 78 LEU N 0.4109 0.0068 70 79 GLU N 0.452 0.0057 71 81 VAL N 0.4474 0.005 72 82 LYS N 0.4356 0.0077 73 83 THR N 0.4649 0.0095 74 84 ALA N 0.5448 0.0097 75 86 THR N 0.6184 0.0179 76 87 VAL N 0.6672 0.0053 77 88 GLU N 0.6829 0.0089 78 89 TRP N 0.852 0.0145 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $15N_GABPa_OST stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 500 _T2_coherence_type Nz _T2_value_units s _Mol_system_component_name OST_(On-SighT) _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 ALA N 0.1686 0.0024 . . 2 3 GLU N 0.1752 0.002 . . 3 4 CYS N 0.1594 0.0041 . . 4 5 VAL N 0.139 0.0007 . . 5 6 SER N 0.1288 0.001 . . 6 7 GLN N 0.1269 0.0007 . . 7 8 ALA N 0.1213 0.0032 . . 8 9 ILE N 0.1291 0.0003 . . 9 10 ASP N 0.1369 0.001 . . 10 11 ILE N 0.1175 0.0007 . . 11 12 ASN N 0.1259 0.0007 . . 12 13 GLU N 0.127 0.0003 . . 13 15 ILE N 0.1275 0.002 . . 14 16 GLY N 0.125 0.0008 . . 15 17 ASN N 0.1178 0.0011 . . 16 18 LEU N 0.1259 0.0006 . . 17 19 LYS N 0.1299 0.0005 . . 18 20 LYS N 0.1433 0.0003 . . 19 21 LEU N 0.1302 0.0014 . . 20 22 LEU N 0.1346 0.001 . . 21 23 GLU N 0.1273 0.0005 . . 22 25 ARG N 0.1405 0.0009 . . 23 27 GLN N 0.1159 0.0007 . . 24 28 CYS N 0.124 0.0011 . . 25 29 SER N 0.1045 0.0012 . . 26 30 LEU N 0.0831 0.0009 . . 27 31 ASP N 0.1229 0.0014 . . 28 32 ALA N 0.1067 0.001 . . 29 33 HIS N 0.1017 0.0004 . . 30 34 GLU N 0.1285 0.0005 . . 31 35 ILE N 0.1462 0.0019 . . 32 36 CYS N 0.1286 0.0005 . . 33 37 LEU N 0.1302 0.0011 . . 34 38 GLN N 0.1325 0.0019 . . 35 39 ASP N 0.0918 0.0021 . . 36 40 ILE N 0.1287 0.0007 . . 37 41 GLN N 0.1446 0.0012 . . 38 42 LEU N 0.133 0.0016 . . 39 43 ASP N 0.1235 0.0015 . . 40 45 ASP N 0.126 0.0015 . . 41 46 ARG N 0.121 0.0005 . . 42 47 SER N 0.1225 0.0003 . . 43 48 LEU N 0.1224 0.0019 . . 44 49 PHE N 0.1223 0.0017 . . 45 50 ASP N 0.1241 0.0006 . . 46 51 GLN N 0.1357 0.0021 . . 47 52 GLY N 0.1299 0.0006 . . 48 53 VAL N 0.1276 0.0008 . . 49 54 LYS N 0.1489 0.0008 . . 50 55 THR N 0.163 0.0013 . . 51 56 ASP N 0.1359 0.0015 . . 52 57 GLY N 0.1626 0.0026 . . 53 58 THR N 0.1308 0.0016 . . 54 59 VAL N 0.122 0.0009 . . 55 60 GLN N 0.1281 0.0006 . . 56 61 LEU N 0.1355 0.001 . . 57 63 VAL N 0.1342 0.0018 . . 58 65 VAL N 0.138 0.0007 . . 59 66 ILE N 0.1314 0.0021 . . 60 67 SER N 0.116 0.0016 . . 61 68 TYR N 0.1551 0.0013 . . 62 69 GLN N 0.1223 0.0022 . . 63 70 GLY N 0.1312 0.0052 . . 64 71 MET N 0.1345 0.0015 . . 65 74 LYS N 0.1253 0.0035 . . 66 75 LEU N 0.1297 0.0013 . . 67 76 ASN N 0.1358 0.0008 . . 68 77 ILE N 0.1308 0.0011 . . 69 78 LEU N 0.1331 0.0018 . . 70 79 GLU N 0.1412 0.0015 . . 71 81 VAL N 0.1365 0.0008 . . 72 82 LYS N 0.133 0.0009 . . 73 83 THR N 0.129 0.0012 . . 74 84 ALA N 0.1504 0.0026 . . 75 86 THR N 0.184 0.0037 . . 76 87 VAL N 0.2062 0.0025 . . 77 88 GLU N 0.2677 0.0018 . . 78 89 TRP N 0.4344 0.0031 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label 'T1 T2 HNNOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 500 _Mol_system_component_name OST_(On-SighT) _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ALA 0.0785 0.0039 3 GLU 0.2958 0.0148 4 CYS 0.3402 0.017 5 VAL 0.6849 0.0342 6 SER 0.7529 0.0376 7 GLN 0.7482 0.0374 8 ALA 0.7505 0.0375 9 ILE 0.7539 0.0377 10 ASP 0.7464 0.0373 11 ILE 0.7745 0.0387 12 ASN 0.8126 0.0406 13 GLU 0.7975 0.0399 15 ILE 0.7732 0.0387 16 GLY 0.7683 0.0384 17 ASN 0.7462 0.0373 18 LEU 0.7418 0.0371 19 LYS 0.789 0.0395 20 LYS 0.6639 0.0332 21 LEU 0.7136 0.0357 22 LEU 0.7596 0.038 23 GLU 0.7528 0.0376 25 ARG 0.6734 0.0337 27 GLN 0.7894 0.0395 28 CYS 0.7061 0.0353 29 SER 0.6762 0.0338 30 LEU 0.7308 0.0365 31 ASP 0.709 0.0355 32 ALA 0.7761 0.0388 33 HIS 0.7495 0.0375 34 GLU 0.7664 0.0383 35 ILE 0.6427 0.0321 36 CYS 0.7357 0.0368 37 LEU 0.7741 0.0387 38 GLN 0.7196 0.036 39 ASP 0.7078 0.0354 40 ILE 0.7102 0.0355 41 GLN 0.6742 0.0337 42 LEU 0.7577 0.0379 43 ASP 0.8323 0.0416 45 ASP 0.8111 0.0406 46 ARG 0.8172 0.0409 47 SER 0.724 0.0362 48 LEU 0.7478 0.0374 49 PHE 0.7387 0.0369 50 ASP 0.763 0.0382 51 GLN 0.7461 0.0373 52 GLY 0.7602 0.038 53 VAL 0.7737 0.0387 54 LYS 0.6292 0.0315 55 THR 0.6403 0.032 56 ASP 0.6829 0.0341 57 GLY 0.6213 0.0311 58 THR 0.6588 0.0329 59 VAL 0.7519 0.0376 60 GLN 0.7475 0.0374 61 LEU 0.808 0.0404 63 VAL 0.7103 0.0355 65 VAL 0.7641 0.0382 66 ILE 0.7609 0.038 67 SER 0.7077 0.0354 68 TYR 0.4593 0.023 69 GLN 0.5452 0.0273 70 GLY 0.5679 0.0284 71 MET 0.5901 0.0295 74 LYS 0.7339 0.0367 75 LEU 0.7122 0.0356 76 ASN 0.7531 0.0377 77 ILE 0.7453 0.0373 78 LEU 0.7682 0.0384 79 GLU 0.6969 0.0348 81 VAL 0.7313 0.0366 82 LYS 0.7111 0.0356 83 THR 0.4504 0.0225 84 ALA 0.3417 0.0171 86 THR -0.2476 -0.0124 87 VAL -0.5197 -0.026 88 GLU -0.6805 -0.034 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $15N_GABPa_OST stop_ _Sample_conditions_label $sample_conditions _Mol_system_component_name OST_(On-SighT) _Tau_e_value_units s _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 ALA N . 0.6369 0.0609 2.09E-10 2.76E-10 . . . . . . . . . . 3 GLU N . 0.6232 0.0594 9.86E-11 2.83E-10 . . . . . . . . . . 4 CYS N . 0.6834 0.0645 1.24E-10 2.78E-10 . . . . . . . . . . 5 VAL N . 0.8278 0.0293 4.77E-11 2.40E-11 . . . . . . . . . . 6 SER N . 0.8826 0.0459 . . . . . . . . . . . . 7 GLN N . 0.9158 0.0396 . . . . . . . . . . . . 8 ALA N . 0.9137 0.0661 . . . . . . . . . . . . 9 ILE N . 0.8999 0.0191 . . . . . . . . . . . . 10 ASP N . 0.8590 0.0360 . . . . . . . . . . . . 11 ILE N . 0.9245 0.0270 . . . . . . . . . . . . 12 ASN N . 0.9043 0.0341 . . . . . . . . . . . . 13 GLU N . 0.9140 0.0141 . . . . . . . . . . . . 15 ILE N . 0.9319 0.0476 . . . . . . . . . . . . 16 GLY N . 0.9152 0.0395 . . . . . . . . . . . . 17 ASN N . 0.9517 0.0467 . . . . . . . . . . . . 18 LEU N . 0.9288 0.0298 . . . . . . . . . . . . 19 LYS N . 0.8948 0.0196 . . . . . . . . . . . . 20 LYS N . 0.7906 0.0122 4.70E-11 1.64E-11 . . . . . . . . . . 21 LEU N . 0.8996 0.0326 . . . . . . . . . . . . 22 LEU N . 0.8721 0.0361 . . . . . . . . . . . . 23 GLU N . 0.8908 0.0244 . . . . . . . . . . . . 25 ARG N . 0.8279 0.0324 5.42E-11 2.02E-11 . . . . . . . . . . 27 GLN N . 0.9116 0.0400 . . . . . . . . . . . . 28 CYS N . 0.8467 0.0471 . . . . . . . . . . . . 29 SER N . 0.9482 0.1153 3.83E-10 1.41E-09 . . . . . . . . . . 30 LEU N . 0.8319 0.0703 . . . . . . . . . . . . 31 ASP N . 0.9013 0.0194 . . . . . . . . . . . . 32 ALA N . 1.0000 0.0455 . . . . . . . . . . . . 33 HIS N . 0.8314 0.1034 . . . . . . . . . . . . 34 GLU N . 0.8582 0.0227 . . . . . . . . . . . . 35 ILE N . 0.7665 0.0316 4.76E-11 1.40E-11 . . . . . . . . . . 36 CYS N . 0.8936 0.0258 . . . . . . . . . . . . 37 LEU N . 0.8778 0.0505 . . . . . . . . . . . . 38 GLN N . 0.9068 0.0491 . . . . . . . . . . . . 39 ASP N . 0.8798 0.0380 . . . . . . . . . . . . 40 ILE N . 0.8542 0.0285 . . . . . . . . . . . . 41 GLN N . 0.8215 0.0253 5.37E-11 1.73E-11 . . . . . . . . . . 42 LEU N . 0.8654 0.0588 . . . . . . . . . . . . 43 ASP N . 0.8803 0.0593 . . . . . . . . . . . . 45 ASP N . 0.8928 0.0643 . . . . . . . . . . . . 46 ARG N . 0.9045 0.0259 . . . . . . . . . . . . 47 SER N . 0.9255 0.0166 . . . . . . . . . . . . 48 LEU N . 0.9327 0.0711 . . . . . . . . . . . . 49 PHE N . 0.9305 0.0466 . . . . . . . . . . . . 50 ASP N . 0.9286 0.0266 . . . . . . . . . . . . 51 GLN N . 0.8464 0.0398 . . . . . . . . . . . . 52 GLY N . 0.8436 0.0212 . . . . . . . . . . . . 53 VAL N . 0.9060 0.0368 . . . . . . . . . . . . 54 LYS N . 0.7818 0.0199 5.66E-11 1.59E-11 . . . . . . . . . . 55 THR N . 0.6817 0.0328 3.13E-11 9.96E-12 . . . . . . . . . . 56 ASP N . 0.8119 0.0552 4.41E-11 2.87E-10 . . . . . . . . . . 57 GLY N . 0.7683 0.0273 5.68E-11 1.50E-11 . . . . . . . . . . 58 THR N . 0.7983 0.0544 4.96E-11 3.65E-10 . . . . . . . . . . 59 VAL N . 0.9185 0.0448 . . . . . . . . . . . . 60 GLN N . 0.9021 0.0307 . . . . . . . . . . . . 61 LEU N . 0.8834 0.0395 . . . . . . . . . . . . 63 VAL N . 0.8781 0.0557 . . . . . . . . . . . . 65 VAL N . 0.8474 0.0307 . . . . . . . . . . . . 66 ILE N . 0.8873 0.0730 . . . . . . . . . . . . 67 SER N . 0.9296 0.0598 . . . . . . . . . . . . 68 TYR N . 0.6834 0.0402 8.06E-11 1.77E-10 . . . . . . . . . . 69 GLN N . 0.8415 0.1123 1.57E-10 6.96E-10 . . . . . . . . . . 70 GLY N . 0.8189 0.2483 1.11E-10 1.04E-09 . . . . . . . . . . 71 MET N . 0.8081 0.0228 8.96E-11 2.18E-11 . . . . . . . . . . 74 LYS N . 0.8919 0.0810 . . . . . . . . . . . . 75 LEU N . 0.8871 0.0623 . . . . . . . . . . . . 76 ASN N . 0.8547 0.0329 . . . . . . . . . . . . 77 ILE N . 0.8924 0.0335 . . . . . . . . . . . . 78 LEU N . 0.8952 0.0647 . . . . . . . . . . . . 79 GLU N . 0.8276 0.0522 3.62E-11 3.69E-10 . . . . . . . . . . 81 VAL N . 0.8526 0.0329 . . . . . . . . . . . . 82 LYS N . 0.8801 0.0454 . . . . . . . . . . . . 83 THR N . 0.8294 0.0505 3.34E-10 3.68E-10 . . . . . . . . . . 84 ALA N . 0.6840 0.0775 1.22E-10 2.90E-10 . . . . . . . . . . 86 THR N . 0.5216 0.0790 2.18E-10 2.51E-10 . . . . . . . . . . 87 VAL N . 0.4194 0.0203 1.81E-10 3.86E-11 . . . . . . . . . . 88 GLU N . 0.3618 0.0233 1.52E-10 9.48E-11 . . . . . . . . . . stop_ _Tau_s_value_units s save_