data_17073 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of CBP nuclear coactivator binding domain in complex with p53 TAD ; _BMRB_accession_number 17073 _BMRB_flat_file_name bmr17073.str _Entry_type original _Submission_date 2010-07-22 _Accession_date 2010-07-22 _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 Lee 'Chul Won' . . 2 Martinez-Yamout Maria A. . 3 Dyson Helen J. . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 673 "13C chemical shifts" 460 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-18 update BMRB 'Update entry citation' 2010-10-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the p53 Transactivation Domain in Complex with the Nuclear Receptor Coactivator Binding Domain of CREB Binding Protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20961098 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee 'Chul Won' . . 2 Martinez-Yamout Maria A. . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 46 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9964 _Page_last 9971 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CBP in complex with p53 TAD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBP $CBP TAD $TAD 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_CBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBP _Molecular_mass 6568.623 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; PNRSISPSALQDLLRTLKSP SSPQQQQQVLNILKSNPQLM AAFIKQRTAKYVANQPGMQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2059 PRO 2 2060 ASN 3 2061 ARG 4 2062 SER 5 2063 ILE 6 2064 SER 7 2065 PRO 8 2066 SER 9 2067 ALA 10 2068 LEU 11 2069 GLN 12 2070 ASP 13 2071 LEU 14 2072 LEU 15 2073 ARG 16 2074 THR 17 2075 LEU 18 2076 LYS 19 2077 SER 20 2078 PRO 21 2079 SER 22 2080 SER 23 2081 PRO 24 2082 GLN 25 2083 GLN 26 2084 GLN 27 2085 GLN 28 2086 GLN 29 2087 VAL 30 2088 LEU 31 2089 ASN 32 2090 ILE 33 2091 LEU 34 2092 LYS 35 2093 SER 36 2094 ASN 37 2095 PRO 38 2096 GLN 39 2097 LEU 40 2098 MET 41 2099 ALA 42 2100 ALA 43 2101 PHE 44 2102 ILE 45 2103 LYS 46 2104 GLN 47 2105 ARG 48 2106 THR 49 2107 ALA 50 2108 LYS 51 2109 TYR 52 2110 VAL 53 2111 ALA 54 2112 ASN 55 2113 GLN 56 2114 PRO 57 2115 GLY 58 2116 MET 59 2117 GLN 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 BMRB 15398 CBP 100.00 59 100.00 100.00 1.67e-31 BMRB 16363 CBP 100.00 59 100.00 100.00 1.67e-31 PDB 1JJS "Nmr Structure Of Ibid, A Domain Of CbpP300" 77.97 50 100.00 100.00 4.01e-14 PDB 1KBH "Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr" 98.31 59 100.00 100.00 1.10e-30 PDB 1ZOQ "Irf3-Cbp Complex" 79.66 47 100.00 100.00 1.36e-14 PDB 2C52 "Structural Diversity In Cbp P160 Complexes" 100.00 59 100.00 100.00 1.67e-31 PDB 2KKJ "Solution Structure Of The Nuclear Coactivator Binding Domain Of Cbp" 100.00 59 100.00 100.00 1.67e-31 PDB 2L14 "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" 100.00 59 100.00 100.00 1.67e-31 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 100.00 2472 98.31 98.31 1.18e-26 DBJ BAI45616 "CREB binding protein [synthetic construct]" 100.00 2442 98.31 98.31 1.26e-26 GB AAB28651 "CREB-binding protein [Mus sp.]" 100.00 2441 100.00 100.00 8.50e-28 GB AAC17736 "CBP [Homo sapiens]" 100.00 923 98.31 98.31 7.76e-27 GB AAC51331 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.31 98.31 1.26e-26 GB AAC51340 "CREB-binding protein [Homo sapiens]" 100.00 932 98.31 98.31 8.74e-27 GB AAC51770 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.31 98.31 1.26e-26 PRF 1923401A "protein CBP" 100.00 2441 100.00 100.00 8.74e-28 REF NP_001020603 "CREB-binding protein [Mus musculus]" 100.00 2441 98.31 98.31 1.21e-26 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 100.00 2404 98.31 98.31 1.18e-26 REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 100.00 2442 98.31 98.31 1.30e-26 REF NP_004371 "CREB-binding protein isoform a [Homo sapiens]" 100.00 2442 98.31 98.31 1.26e-26 REF NP_596872 "CREB-binding protein [Rattus norvegicus]" 100.00 2444 98.31 98.31 1.17e-26 SP P45481 "RecName: Full=CREB-binding protein" 100.00 2441 98.31 98.31 1.28e-26 SP Q6JHU9 "RecName: Full=CREB-binding protein" 100.00 2442 98.31 98.31 1.09e-26 SP Q92793 "RecName: Full=CREB-binding protein" 100.00 2442 98.31 98.31 1.26e-26 stop_ save_ save_TAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TAD _Molecular_mass 5574.146 _Mol_thiol_state 'not present' _Details . _Residue_count 49 _Mol_residue_sequence ; PLSQETFSDLWKLLPENNVL SPLPSQAMDDLMLSPDDIEQ WFTEDPGPD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 PRO 2 14 LEU 3 15 SER 4 16 GLN 5 17 GLU 6 18 THR 7 19 PHE 8 20 SER 9 21 ASP 10 22 LEU 11 23 TRP 12 24 LYS 13 25 LEU 14 26 LEU 15 27 PRO 16 28 GLU 17 29 ASN 18 30 ASN 19 31 VAL 20 32 LEU 21 33 SER 22 34 PRO 23 35 LEU 24 36 PRO 25 37 SER 26 38 GLN 27 39 ALA 28 40 MET 29 41 ASP 30 42 ASP 31 43 LEU 32 44 MET 33 45 LEU 34 46 SER 35 47 PRO 36 48 ASP 37 49 ASP 38 50 ILE 39 51 GLU 40 52 GLN 41 53 TRP 42 54 PHE 43 55 THR 44 56 GLU 45 57 ASP 46 58 PRO 47 59 GLY 48 60 PRO 49 61 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 15944 TAD(1-39) 55.10 39 100.00 100.00 4.81e-08 BMRB 17760 p53_TAD 100.00 93 100.00 100.00 1.11e-24 BMRB 18709 entity_2 100.00 93 100.00 100.00 1.11e-24 PDB 2B3G "P53n (Fragment 33-60) Bound To Rpa70n" 57.14 28 100.00 100.00 2.38e-09 PDB 2GS0 "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" 85.71 54 100.00 100.00 2.06e-19 PDB 2K8F "Structural Basis For The Regulation Of P53 Function By P300" 55.10 39 100.00 100.00 4.81e-08 PDB 2L14 "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" 100.00 49 100.00 100.00 2.21e-24 PDB 2LY4 "Hmgb1-Facilitated P53 Dna Binding Occurs Via Hmg-BoxP53 Transactivation Domain Interaction And Is Regulated By The Acidic Tail" 100.00 93 100.00 100.00 1.11e-24 DBJ BAC16799 "P53 [Homo sapiens]" 100.00 393 100.00 100.00 2.57e-24 DBJ BAG35463 "unnamed protein product [Homo sapiens]" 100.00 393 100.00 100.00 2.84e-24 DBJ BAG59884 "unnamed protein product [Homo sapiens]" 97.96 368 97.92 97.92 7.68e-23 DBJ BAG60244 "unnamed protein product [Homo sapiens]" 100.00 383 100.00 100.00 2.83e-24 DBJ BAI45431 "tumor protein p53 [synthetic construct]" 100.00 393 100.00 100.00 2.84e-24 EMBL CAA26306 "unnamed protein product [Homo sapiens]" 100.00 393 100.00 100.00 3.11e-24 EMBL CAA38095 "protein p53 [Homo sapiens]" 100.00 393 100.00 100.00 2.84e-24 EMBL CAA42625 "p53 transformation suppressor [Homo sapiens]" 100.00 245 100.00 100.00 6.58e-24 EMBL CAA42626 "p53 transformation suppressor [Homo sapiens]" 100.00 393 100.00 100.00 2.87e-24 EMBL CAA42627 "p53 transformation suppressor [Homo sapiens]" 100.00 393 100.00 100.00 2.84e-24 GB AAA59987 "phosphoprotein p53 [Homo sapiens]" 100.00 393 100.00 100.00 2.93e-24 GB AAA59988 "phosphoprotein p53 [Homo sapiens]" 100.00 393 100.00 100.00 3.11e-24 GB AAA59989 "p53 cellular tumor antigen [Homo sapiens]" 100.00 393 100.00 100.00 3.17e-24 GB AAA61211 "p53 antigen [Homo sapiens]" 100.00 393 100.00 100.00 2.93e-24 GB AAA61212 "p53 antigen [Homo sapiens]" 100.00 393 100.00 100.00 3.11e-24 REF NP_000537 "cellular tumor antigen p53 isoform a [Homo sapiens]" 100.00 393 100.00 100.00 3.11e-24 REF NP_001119584 "cellular tumor antigen p53 isoform a [Homo sapiens]" 100.00 393 100.00 100.00 3.11e-24 REF NP_001119585 "cellular tumor antigen p53 isoform c [Homo sapiens]" 100.00 346 100.00 100.00 5.99e-24 REF NP_001119586 "cellular tumor antigen p53 isoform b [Homo sapiens]" 100.00 341 100.00 100.00 4.26e-24 REF NP_001274298 "tumor protein p53 [Tupaia chinensis]" 100.00 393 100.00 100.00 2.42e-24 SP P04637 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Antigen NY-CO-13; AltName: Full=Phosphoprotein p53; AltName: Full=Tumor" 100.00 393 100.00 100.00 3.11e-24 SP Q9TTA1 "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Tupaia belangeri]" 100.00 393 100.00 100.00 2.42e-24 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBP 'House mouse' 10090 Eukaryota Metazoa Mus musculus $TAD Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CBP 'recombinant technology' . Escherichia coli . pET21 $TAD 'recombinant technology' . Escherichia coli . pET21 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 _Isotopic_labeling $CBP 0.5 mM '[U-99% 15N]' $TAD 0.5 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBP 0.5 mM '[U-99% 13C; U-99% 15N]' $TAD 0.5 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $AMBER stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CBP _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 2059 1 PRO HA H 4.3950 . 1 2 2059 1 PRO HB2 H 2.0000 . 2 3 2059 1 PRO HB3 H 2.4470 . 2 4 2059 1 PRO HD2 H 3.3700 . 2 5 2059 1 PRO HD3 H 3.4050 . 2 6 2059 1 PRO HG2 H 2.0310 . 2 7 2059 1 PRO HG3 H 2.0310 . 2 8 2059 1 PRO CD C 48.6158 . 1 9 2060 2 ASN HA H 4.7380 . 1 10 2060 2 ASN HB2 H 2.8370 . 2 11 2060 2 ASN HB3 H 2.7540 . 2 12 2060 2 ASN HD21 H 7.6610 . 2 13 2060 2 ASN HD22 H 6.9860 . 2 14 2060 2 ASN C C 174.6770 . 1 15 2060 2 ASN CA C 52.8328 . 1 16 2060 2 ASN CB C 38.3729 . 1 17 2060 2 ASN ND2 N 113.1880 . 1 18 2061 3 ARG H H 8.5800 . 1 19 2061 3 ARG HA H 4.3950 . 1 20 2061 3 ARG HB2 H 1.7400 . 2 21 2061 3 ARG HB3 H 1.8650 . 2 22 2061 3 ARG HD2 H 3.1400 . 2 23 2061 3 ARG HD3 H 3.1400 . 2 24 2061 3 ARG HG2 H 1.5900 . 2 25 2061 3 ARG HG3 H 1.6200 . 2 26 2061 3 ARG C C 175.7530 . 1 27 2061 3 ARG CA C 55.3800 . 1 28 2061 3 ARG CB C 30.3429 . 1 29 2061 3 ARG CD C 42.6958 . 1 30 2061 3 ARG CG C 26.6859 . 1 31 2061 3 ARG N N 122.1300 . 1 32 2062 4 SER H H 8.4170 . 1 33 2062 4 SER HA H 4.4900 . 1 34 2062 4 SER HB2 H 3.8330 . 2 35 2062 4 SER HB3 H 3.8330 . 2 36 2062 4 SER C C 173.7120 . 1 37 2062 4 SER CA C 57.6410 . 1 38 2062 4 SER CB C 63.2230 . 1 39 2062 4 SER N N 117.1500 . 1 40 2063 5 ILE H H 8.1480 . 1 41 2063 5 ILE HA H 4.1980 . 1 42 2063 5 ILE HB H 1.7520 . 1 43 2063 5 ILE HD1 H 0.7470 . 1 44 2063 5 ILE HD1 H 0.8580 . 1 45 2063 5 ILE HG12 H 1.0700 . 1 46 2063 5 ILE HG13 H 1.4600 . 1 47 2063 5 ILE HG2 H 0.8320 . 2 48 2063 5 ILE C C 174.9520 . 1 49 2063 5 ILE CA C 59.8060 . 1 50 2063 5 ILE CB C 38.7218 . 1 51 2063 5 ILE CD1 C 13.0717 . 1 52 2063 5 ILE CG1 C 27.1419 . 1 53 2063 5 ILE CG2 C 17.2157 . 1 54 2063 5 ILE N N 122.0300 . 1 55 2064 6 SER H H 8.4600 . 1 56 2064 6 SER HA H 4.7340 . 1 57 2064 6 SER HB2 H 3.8720 . 2 58 2064 6 SER HB3 H 4.0340 . 2 59 2064 6 SER CA C 55.4100 . 1 60 2064 6 SER CB C 62.6750 . 1 61 2064 6 SER N N 122.1880 . 1 62 2065 7 PRO HA H 4.3030 . 1 63 2065 7 PRO HB2 H 1.9700 . 2 64 2065 7 PRO HB3 H 2.3300 . 2 65 2065 7 PRO HD2 H 3.9360 . 2 66 2065 7 PRO HD3 H 3.8430 . 2 67 2065 7 PRO HG2 H 2.1100 . 2 68 2065 7 PRO HG3 H 2.1100 . 2 69 2065 7 PRO C C 178.2350 . 1 70 2065 7 PRO CA C 64.1000 . 1 71 2065 7 PRO CB C 31.4158 . 1 72 2065 7 PRO CD C 50.2558 . 1 73 2065 7 PRO CG C 27.1059 . 1 74 2066 8 SER H H 8.1960 . 1 75 2066 8 SER HA H 4.2580 . 1 76 2066 8 SER HB2 H 3.8430 . 2 77 2066 8 SER HB3 H 3.9250 . 2 78 2066 8 SER C C 175.4750 . 1 79 2066 8 SER CA C 59.6000 . 1 80 2066 8 SER CB C 62.0200 . 1 81 2066 8 SER N N 113.9860 . 1 82 2067 9 ALA H H 7.9430 . 1 83 2067 9 ALA HA H 4.2400 . 1 84 2067 9 ALA HB H 1.4300 . 1 85 2067 9 ALA C C 179.2300 . 1 86 2067 9 ALA CA C 54.0138 . 1 87 2067 9 ALA CB C 18.1297 . 1 88 2067 9 ALA N N 125.6540 . 1 89 2068 10 LEU H H 7.9640 . 1 90 2068 10 LEU HA H 3.9700 . 1 91 2068 10 LEU HB2 H 1.4900 . 2 92 2068 10 LEU HB3 H 1.7600 . 2 93 2068 10 LEU HD1 H 0.8240 . 2 94 2068 10 LEU HD2 H 0.8240 . 2 95 2068 10 LEU HG H 1.5230 . 1 96 2068 10 LEU C C 177.9790 . 1 97 2068 10 LEU CA C 57.2000 . 1 98 2068 10 LEU CB C 40.8759 . 1 99 2068 10 LEU CD1 C 23.7117 . 1 100 2068 10 LEU CD2 C 23.7117 . 2 101 2068 10 LEU CG C 26.8058 . 1 102 2068 10 LEU N N 118.2000 . 1 103 2069 11 GLN H H 8.0000 . 1 104 2069 11 GLN HA H 3.9070 . 1 105 2069 11 GLN HB2 H 2.1370 . 2 106 2069 11 GLN HB3 H 2.1370 . 2 107 2069 11 GLN HE21 H 7.4950 . 2 108 2069 11 GLN HE22 H 6.8800 . 2 109 2069 11 GLN HG2 H 2.4060 . 2 110 2069 11 GLN HG3 H 2.4060 . 2 111 2069 11 GLN C C 178.4660 . 1 112 2069 11 GLN CA C 58.4610 . 1 113 2069 11 GLN CB C 27.5059 . 1 114 2069 11 GLN CG C 27.5259 . 1 115 2069 11 GLN N N 117.4760 . 1 116 2069 11 GLN NE2 N 112.1410 . 1 117 2070 12 ASP H H 8.1260 . 1 118 2070 12 ASP HA H 4.4070 . 1 119 2070 12 ASP HB2 H 2.6200 . 2 120 2070 12 ASP HB3 H 2.8160 . 2 121 2070 12 ASP C C 178.8580 . 1 122 2070 12 ASP CA C 56.6210 . 1 123 2070 12 ASP CB C 39.7338 . 1 124 2070 12 ASP N N 120.1700 . 1 125 2071 13 LEU H H 8.3080 . 1 126 2071 13 LEU HA H 3.9640 . 1 127 2071 13 LEU HB2 H 1.6500 . 2 128 2071 13 LEU HB3 H 2.0000 . 2 129 2071 13 LEU HD1 H 0.8000 . 2 130 2071 13 LEU HD2 H 0.8000 . 2 131 2071 13 LEU HG H 1.5810 . 1 132 2071 13 LEU C C 177.9030 . 1 133 2071 13 LEU CA C 57.5200 . 1 134 2071 13 LEU CB C 41.1058 . 1 135 2071 13 LEU CD1 C 24.9058 . 1 136 2071 13 LEU CD2 C 25.5059 . 2 137 2071 13 LEU CG C 26.5059 . 1 138 2071 13 LEU N N 122.9630 . 1 139 2072 14 LEU H H 8.4420 . 1 140 2072 14 LEU HA H 3.8900 . 1 141 2072 14 LEU HB2 H 1.4770 . 2 142 2072 14 LEU HB3 H 1.8060 . 2 143 2072 14 LEU HD1 H 0.7800 . 2 144 2072 14 LEU HD2 H 0.7700 . 2 145 2072 14 LEU HG H 1.7620 . 1 146 2072 14 LEU C C 178.6660 . 1 147 2072 14 LEU CA C 57.5500 . 1 148 2072 14 LEU CB C 40.6658 . 1 149 2072 14 LEU CD1 C 24.7117 . 1 150 2072 14 LEU CD2 C 25.0059 . 2 151 2072 14 LEU CG C 26.3459 . 1 152 2072 14 LEU N N 118.8360 . 1 153 2073 15 ARG H H 8.1020 . 1 154 2073 15 ARG HA H 3.9600 . 1 155 2073 15 ARG HB2 H 1.9560 . 2 156 2073 15 ARG HB3 H 1.9300 . 2 157 2073 15 ARG HD2 H 3.2200 . 2 158 2073 15 ARG HD3 H 3.2200 . 2 159 2073 15 ARG HG2 H 1.7600 . 2 160 2073 15 ARG HG3 H 1.6000 . 2 161 2073 15 ARG C C 179.1860 . 1 162 2073 15 ARG CA C 58.7360 . 1 163 2073 15 ARG CB C 29.5459 . 1 164 2073 15 ARG CD C 42.6759 . 1 165 2073 15 ARG CG C 27.3139 . 1 166 2073 15 ARG N N 117.8260 . 1 167 2074 16 THR H H 7.9250 . 1 168 2074 16 THR HA H 3.9630 . 1 169 2074 16 THR HB H 4.2470 . 1 170 2074 16 THR HG2 H 1.2220 . 1 171 2074 16 THR HG2 H 1.2300 . 1 172 2074 16 THR C C 176.4810 . 1 173 2074 16 THR CA C 65.6540 . 1 174 2074 16 THR CB C 67.8230 . 1 175 2074 16 THR CG2 C 22.1567 . 1 176 2074 16 THR N N 116.0500 . 1 177 2075 17 LEU H H 8.2640 . 1 178 2075 17 LEU HA H 3.9780 . 1 179 2075 17 LEU HB2 H 1.5100 . 2 180 2075 17 LEU HB3 H 1.7600 . 2 181 2075 17 LEU HD1 H 0.7600 . 2 182 2075 17 LEU HD2 H 0.7500 . 2 183 2075 17 LEU HG H 1.5700 . 1 184 2075 17 LEU C C 177.0080 . 1 185 2075 17 LEU CA C 57.3000 . 1 186 2075 17 LEU CB C 40.9059 . 1 187 2075 17 LEU CD1 C 22.6417 . 1 188 2075 17 LEU CD2 C 25.4909 . 2 189 2075 17 LEU CG C 26.4058 . 1 190 2075 17 LEU N N 121.5090 . 1 191 2076 18 LYS H H 7.5000 . 1 192 2076 18 LYS HA H 4.2600 . 1 193 2076 18 LYS HB2 H 1.7800 . 2 194 2076 18 LYS HB3 H 1.9700 . 2 195 2076 18 LYS HD2 H 1.6420 . 2 196 2076 18 LYS HD3 H 1.6420 . 2 197 2076 18 LYS HE2 H 2.9060 . 2 198 2076 18 LYS HE3 H 2.9060 . 2 199 2076 18 LYS HG2 H 1.4370 . 2 200 2076 18 LYS HG3 H 1.5640 . 2 201 2076 18 LYS C C 176.4190 . 1 202 2076 18 LYS CA C 56.0650 . 1 203 2076 18 LYS CB C 32.1509 . 1 204 2076 18 LYS CD C 28.6859 . 1 205 2076 18 LYS CE C 41.4059 . 1 206 2076 18 LYS CG C 25.0059 . 1 207 2076 18 LYS N N 116.5600 . 1 208 2077 19 SER H H 7.5230 . 1 209 2077 19 SER HA H 4.7300 . 1 210 2077 19 SER HB2 H 3.9650 . 2 211 2077 19 SER HB3 H 3.9650 . 2 212 2077 19 SER CA C 56.5800 . 1 213 2077 19 SER CB C 62.2060 . 1 214 2077 19 SER N N 116.7000 . 1 215 2078 20 PRO HA H 4.4110 . 1 216 2078 20 PRO HB2 H 1.9200 . 2 217 2078 20 PRO HB3 H 2.2800 . 2 218 2078 20 PRO HD2 H 3.6120 . 2 219 2078 20 PRO HD3 H 3.8240 . 2 220 2078 20 PRO HG2 H 2.0470 . 2 221 2078 20 PRO HG3 H 2.0000 . 2 222 2078 20 PRO C C 176.5330 . 1 223 2078 20 PRO CA C 62.6860 . 1 224 2078 20 PRO CB C 31.5059 . 1 225 2078 20 PRO CD C 49.7859 . 1 226 2078 20 PRO CG C 27.0059 . 1 227 2079 21 SER H H 8.4650 . 1 228 2079 21 SER HA H 4.3360 . 1 229 2079 21 SER HB2 H 3.8200 . 2 230 2079 21 SER HB3 H 3.8700 . 2 231 2079 21 SER C C 174.3450 . 1 232 2079 21 SER CA C 58.2700 . 1 233 2079 21 SER CB C 62.8800 . 1 234 2079 21 SER N N 116.8000 . 1 235 2080 22 SER H H 7.8620 . 1 236 2080 22 SER HA H 4.8730 . 1 237 2080 22 SER HB2 H 4.0490 . 2 238 2080 22 SER HB3 H 4.2120 . 2 239 2080 22 SER CA C 56.1800 . 1 240 2080 22 SER CB C 62.6750 . 1 241 2080 22 SER N N 118.5970 . 1 242 2081 23 PRO HA H 4.3700 . 1 243 2081 23 PRO HB2 H 1.9400 . 2 244 2081 23 PRO HB3 H 2.4260 . 2 245 2081 23 PRO HD2 H 3.8590 . 2 246 2081 23 PRO HD3 H 3.8960 . 2 247 2081 23 PRO HG2 H 2.1800 . 2 248 2081 23 PRO HG3 H 2.0140 . 2 249 2081 23 PRO C C 178.7470 . 1 250 2081 23 PRO CA C 64.7550 . 1 251 2081 23 PRO CB C 31.2759 . 1 252 2081 23 PRO CD C 50.0378 . 1 253 2081 23 PRO CG C 27.5059 . 1 254 2082 24 GLN H H 8.2730 . 1 255 2082 24 GLN HA H 4.0940 . 1 256 2082 24 GLN HB2 H 2.0120 . 2 257 2082 24 GLN HB3 H 2.0840 . 2 258 2082 24 GLN HE21 H 7.5470 . 2 259 2082 24 GLN HE22 H 6.8980 . 2 260 2082 24 GLN HG2 H 2.4100 . 2 261 2082 24 GLN HG3 H 2.4600 . 2 262 2082 24 GLN C C 177.7600 . 1 263 2082 24 GLN CA C 58.4500 . 1 264 2082 24 GLN CB C 27.3058 . 1 265 2082 24 GLN CG C 33.6059 . 1 266 2082 24 GLN N N 116.9820 . 1 267 2082 24 GLN NE2 N 112.1380 . 1 268 2083 25 GLN H H 7.9970 . 1 269 2083 25 GLN HA H 4.0430 . 1 270 2083 25 GLN HB2 H 2.1600 . 2 271 2083 25 GLN HB3 H 2.1600 . 2 272 2083 25 GLN HE21 H 7.1650 . 2 273 2083 25 GLN HE22 H 6.6380 . 2 274 2083 25 GLN HG2 H 2.4500 . 2 275 2083 25 GLN HG3 H 2.1700 . 2 276 2083 25 GLN C C 178.6300 . 1 277 2083 25 GLN CA C 58.5000 . 1 278 2083 25 GLN CB C 27.2859 . 1 279 2083 25 GLN CG C 32.4559 . 1 280 2083 25 GLN N N 123.0000 . 1 281 2083 25 GLN NE2 N 110.0160 . 1 282 2084 26 GLN H H 8.2480 . 1 283 2084 26 GLN HA H 3.7780 . 1 284 2084 26 GLN HB2 H 2.1000 . 2 285 2084 26 GLN HB3 H 2.1720 . 2 286 2084 26 GLN HE21 H 7.4540 . 2 287 2084 26 GLN HE22 H 6.8260 . 2 288 2084 26 GLN HG2 H 2.2600 . 2 289 2084 26 GLN HG3 H 2.4940 . 2 290 2084 26 GLN C C 177.9370 . 1 291 2084 26 GLN CA C 58.7480 . 1 292 2084 26 GLN CB C 27.7059 . 1 293 2084 26 GLN CG C 33.8259 . 1 294 2084 26 GLN N N 118.7700 . 1 295 2084 26 GLN NE2 N 111.0960 . 1 296 2085 27 GLN H H 7.9730 . 1 297 2085 27 GLN HA H 3.9250 . 1 298 2085 27 GLN HB2 H 2.1520 . 2 299 2085 27 GLN HB3 H 2.1520 . 2 300 2085 27 GLN HE21 H 7.4670 . 2 301 2085 27 GLN HE22 H 6.9000 . 2 302 2085 27 GLN HG2 H 2.4100 . 2 303 2085 27 GLN HG3 H 2.4100 . 2 304 2085 27 GLN C C 177.7440 . 1 305 2085 27 GLN CA C 57.7120 . 1 306 2085 27 GLN CB C 27.7559 . 1 307 2085 27 GLN CG C 33.3459 . 1 308 2085 27 GLN N N 117.7350 . 1 309 2085 27 GLN NE2 N 113.1580 . 1 310 2086 28 GLN H H 7.9850 . 1 311 2086 28 GLN HA H 4.1140 . 1 312 2086 28 GLN HB2 H 2.1400 . 2 313 2086 28 GLN HB3 H 2.1400 . 2 314 2086 28 GLN HE21 H 7.3380 . 2 315 2086 28 GLN HE22 H 6.7980 . 2 316 2086 28 GLN HG2 H 2.4970 . 2 317 2086 28 GLN HG3 H 2.3900 . 2 318 2086 28 GLN C C 177.7840 . 1 319 2086 28 GLN CA C 58.3700 . 1 320 2086 28 GLN CB C 27.5059 . 1 321 2086 28 GLN CG C 33.1458 . 1 322 2086 28 GLN N N 119.5300 . 1 323 2086 28 GLN NE2 N 111.1580 . 1 324 2087 29 VAL H H 8.0590 . 1 325 2087 29 VAL HA H 3.4060 . 1 326 2087 29 VAL HB H 2.1800 . 1 327 2087 29 VAL HG1 H 0.7340 . 2 328 2087 29 VAL HG2 H 0.9800 . 2 329 2087 29 VAL C C 177.1160 . 1 330 2087 29 VAL CA C 66.4240 . 1 331 2087 29 VAL CB C 31.0059 . 1 332 2087 29 VAL CG1 C 21.0447 . 2 333 2087 29 VAL CG2 C 22.9517 . 1 334 2087 29 VAL N N 119.4600 . 1 335 2088 30 LEU H H 7.9700 . 1 336 2088 30 LEU HA H 3.8210 . 1 337 2088 30 LEU HB2 H 1.5600 . 2 338 2088 30 LEU HB3 H 1.7400 . 2 339 2088 30 LEU HD1 H 0.7900 . 2 340 2088 30 LEU HD2 H 0.7900 . 2 341 2088 30 LEU HG H 1.6600 . 1 342 2088 30 LEU C C 178.2890 . 1 343 2088 30 LEU CA C 57.5570 . 1 344 2088 30 LEU CB C 40.6358 . 1 345 2088 30 LEU CD1 C 23.3117 . 1 346 2088 30 LEU CD2 C 23.4117 . 2 347 2088 30 LEU CG C 26.6059 . 1 348 2088 30 LEU N N 119.0500 . 1 349 2089 31 ASN H H 8.3130 . 1 350 2089 31 ASN HA H 4.3870 . 1 351 2089 31 ASN HB2 H 2.8110 . 2 352 2089 31 ASN HB3 H 2.9280 . 2 353 2089 31 ASN HD21 H 7.5350 . 2 354 2089 31 ASN HD22 H 6.9780 . 2 355 2089 31 ASN C C 178.3400 . 1 356 2089 31 ASN CA C 55.3700 . 1 357 2089 31 ASN CB C 37.3459 . 1 358 2089 31 ASN N N 117.1600 . 1 359 2089 31 ASN ND2 N 111.6570 . 1 360 2090 32 ILE H H 8.0000 . 1 361 2090 32 ILE HA H 3.7000 . 1 362 2090 32 ILE HB H 1.9300 . 1 363 2090 32 ILE HD1 H 0.7480 . 1 364 2090 32 ILE HG12 H 1.8530 . 1 365 2090 32 ILE HG13 H 1.0420 . 1 366 2090 32 ILE HG2 H 0.8370 . 2 367 2090 32 ILE C C 178.6280 . 1 368 2090 32 ILE CA C 64.6180 . 1 369 2090 32 ILE CB C 37.6058 . 1 370 2090 32 ILE CD1 C 13.5517 . 1 371 2090 32 ILE CG1 C 28.4659 . 1 372 2090 32 ILE CG2 C 17.2147 . 1 373 2090 32 ILE N N 122.3750 . 1 374 2091 33 LEU H H 8.1380 . 1 375 2091 33 LEU HA H 3.9160 . 1 376 2091 33 LEU HB2 H 1.8640 . 2 377 2091 33 LEU HB3 H 1.4000 . 2 378 2091 33 LEU HD1 H 0.6200 . 2 379 2091 33 LEU HD2 H 0.5140 . 2 380 2091 33 LEU HG H 1.7850 . 1 381 2091 33 LEU C C 178.3130 . 1 382 2091 33 LEU CA C 57.5200 . 1 383 2091 33 LEU CB C 40.8759 . 1 384 2091 33 LEU CD1 C 22.3737 . 1 385 2091 33 LEU CD2 C 25.4058 . 2 386 2091 33 LEU CG C 25.8859 . 1 387 2091 33 LEU N N 120.1140 . 1 388 2092 34 LYS H H 8.4340 . 1 389 2092 34 LYS HA H 3.9500 . 1 390 2092 34 LYS HB2 H 1.8510 . 2 391 2092 34 LYS HB3 H 1.8510 . 2 392 2092 34 LYS HD2 H 1.6200 . 2 393 2092 34 LYS HD3 H 1.6200 . 2 394 2092 34 LYS HE2 H 2.8800 . 2 395 2092 34 LYS HE3 H 2.8800 . 2 396 2092 34 LYS HG2 H 1.5380 . 2 397 2092 34 LYS HG3 H 1.3950 . 2 398 2092 34 LYS C C 177.9860 . 1 399 2092 34 LYS CA C 58.7390 . 1 400 2092 34 LYS CB C 31.9619 . 1 401 2092 34 LYS CD C 28.9058 . 1 402 2092 34 LYS CE C 41.1368 . 1 403 2092 34 LYS CG C 24.9479 . 1 404 2092 34 LYS N N 116.2000 . 1 405 2093 35 SER H H 7.5500 . 1 406 2093 35 SER HA H 4.4450 . 1 407 2093 35 SER HB2 H 3.9800 . 2 408 2093 35 SER HB3 H 3.9800 . 2 409 2093 35 SER C C 173.0720 . 1 410 2093 35 SER CA C 58.7740 . 1 411 2093 35 SER CB C 63.4170 . 1 412 2093 35 SER N N 111.5900 . 1 413 2094 36 ASN H H 7.4900 . 1 414 2094 36 ASN HA H 5.3000 . 1 415 2094 36 ASN HB2 H 2.6260 . 2 416 2094 36 ASN HB3 H 2.7660 . 2 417 2094 36 ASN HD21 H 8.1170 . 2 418 2094 36 ASN HD22 H 7.2160 . 2 419 2094 36 ASN CA C 50.7818 . 1 420 2094 36 ASN CB C 40.1758 . 1 421 2094 36 ASN N N 118.6600 . 1 422 2094 36 ASN ND2 N 116.1480 . 1 423 2095 37 PRO HA H 4.3840 . 1 424 2095 37 PRO HB2 H 2.0100 . 2 425 2095 37 PRO HB3 H 2.3960 . 2 426 2095 37 PRO HD2 H 3.5990 . 2 427 2095 37 PRO HD3 H 3.8490 . 2 428 2095 37 PRO HG2 H 2.0500 . 2 429 2095 37 PRO HG3 H 2.0950 . 2 430 2095 37 PRO C C 178.3890 . 1 431 2095 37 PRO CA C 62.6730 . 1 432 2095 37 PRO CB C 31.5059 . 1 433 2095 37 PRO CD C 50.0129 . 1 434 2095 37 PRO CG C 26.8259 . 1 435 2096 38 GLN H H 8.8750 . 1 436 2096 38 GLN HA H 4.1890 . 1 437 2096 38 GLN HB2 H 2.1080 . 2 438 2096 38 GLN HB3 H 2.1080 . 2 439 2096 38 GLN HE21 H 7.6240 . 2 440 2096 38 GLN HE22 H 7.0190 . 2 441 2096 38 GLN HG2 H 2.4940 . 2 442 2096 38 GLN HG3 H 2.4000 . 2 443 2096 38 GLN C C 178.5820 . 1 444 2096 38 GLN CA C 58.1900 . 1 445 2096 38 GLN CB C 27.2859 . 1 446 2096 38 GLN CG C 33.6179 . 1 447 2096 38 GLN N N 118.1540 . 1 448 2096 38 GLN NE2 N 112.1370 . 1 449 2097 39 LEU H H 7.8920 . 1 450 2097 39 LEU HA H 4.1600 . 1 451 2097 39 LEU HB2 H 1.6800 . 2 452 2097 39 LEU HB3 H 1.7800 . 2 453 2097 39 LEU HD1 H 0.7930 . 2 454 2097 39 LEU HD2 H 0.8000 . 2 455 2097 39 LEU HG H 1.6200 . 1 456 2097 39 LEU C C 177.7390 . 1 457 2097 39 LEU CA C 56.6000 . 1 458 2097 39 LEU CB C 41.3508 . 1 459 2097 39 LEU CD1 C 24.0117 . 1 460 2097 39 LEU CD2 C 23.8117 . 2 461 2097 39 LEU CG C 26.5558 . 1 462 2097 39 LEU N N 120.9830 . 1 463 2098 40 MET H H 7.9200 . 1 464 2098 40 MET HA H 4.1900 . 1 465 2098 40 MET HB2 H 2.1560 . 2 466 2098 40 MET HB3 H 2.1560 . 2 467 2098 40 MET HE H 1.8960 . 1 468 2098 40 MET HG2 H 2.4560 . 2 469 2098 40 MET HG3 H 2.5240 . 2 470 2098 40 MET C C 177.3630 . 1 471 2098 40 MET CA C 57.7500 . 1 472 2098 40 MET CB C 31.2748 . 1 473 2098 40 MET CE C 17.2317 . 1 474 2098 40 MET CG C 31.9758 . 1 475 2098 40 MET N N 117.8470 . 1 476 2099 41 ALA H H 8.0670 . 1 477 2099 41 ALA HA H 4.0150 . 1 478 2099 41 ALA HB H 1.4700 . 1 479 2099 41 ALA C C 179.4290 . 1 480 2099 41 ALA CA C 54.4059 . 1 481 2099 41 ALA CB C 17.6717 . 1 482 2099 41 ALA N N 119.4770 . 1 483 2100 42 ALA H H 7.5550 . 1 484 2100 42 ALA HA H 4.0480 . 1 485 2100 42 ALA HB H 1.3480 . 1 486 2100 42 ALA C C 178.9730 . 1 487 2100 42 ALA CA C 54.0058 . 1 488 2100 42 ALA CB C 17.7517 . 1 489 2100 42 ALA N N 120.0000 . 1 490 2101 43 PHE H H 8.1560 . 1 491 2101 43 PHE HA H 4.1650 . 1 492 2101 43 PHE HB2 H 3.0450 . 2 493 2101 43 PHE HB3 H 3.2330 . 2 494 2101 43 PHE HD1 H 7.0980 . 3 495 2101 43 PHE HD2 H 7.0980 . 3 496 2101 43 PHE HE1 H 7.0650 . 3 497 2101 43 PHE C C 176.8000 . 1 498 2101 43 PHE CA C 59.8780 . 1 499 2101 43 PHE CB C 39.0058 . 1 500 2101 43 PHE CD1 C 70.1230 . 3 501 2101 43 PHE CD2 C 70.1230 . 3 502 2101 43 PHE CE1 C 69.0000 . 3 503 2101 43 PHE N N 118.5500 . 1 504 2102 44 ILE H H 8.2500 . 1 505 2102 44 ILE HA H 3.5790 . 1 506 2102 44 ILE HB H 1.9240 . 1 507 2102 44 ILE HD1 H 0.7800 . 1 508 2102 44 ILE HG12 H 1.1840 . 1 509 2102 44 ILE HG13 H 1.6770 . 1 510 2102 44 ILE HG2 H 0.8410 . 2 511 2102 44 ILE C C 178.1310 . 1 512 2102 44 ILE CA C 63.2800 . 1 513 2102 44 ILE CB C 37.2059 . 1 514 2102 44 ILE CD1 C 12.7577 . 1 515 2102 44 ILE CG1 C 28.2258 . 1 516 2102 44 ILE CG2 C 16.9817 . 1 517 2102 44 ILE N N 118.8330 . 1 518 2103 45 LYS H H 8.0300 . 1 519 2103 45 LYS HA H 4.0010 . 1 520 2103 45 LYS HB2 H 1.8500 . 2 521 2103 45 LYS HB3 H 1.8500 . 2 522 2103 45 LYS HD2 H 1.6380 . 2 523 2103 45 LYS HD3 H 1.6380 . 2 524 2103 45 LYS HE2 H 2.9140 . 2 525 2103 45 LYS HE3 H 2.9140 . 2 526 2103 45 LYS HG2 H 1.3710 . 2 527 2103 45 LYS HG3 H 1.4850 . 2 528 2103 45 LYS CA C 57.9890 . 1 529 2103 45 LYS CB C 31.9659 . 1 530 2103 45 LYS CD C 28.8058 . 1 531 2103 45 LYS CE C 41.3058 . 1 532 2103 45 LYS CG C 24.7117 . 1 533 2103 45 LYS N N 121.7000 . 1 534 2104 46 GLN H H 7.9290 . 1 535 2104 46 GLN HA H 4.0800 . 1 536 2104 46 GLN HB2 H 2.0660 . 2 537 2104 46 GLN HB3 H 2.0600 . 2 538 2104 46 GLN HE21 H 7.3380 . 2 539 2104 46 GLN HE22 H 6.7470 . 2 540 2104 46 GLN HG2 H 2.3060 . 2 541 2104 46 GLN HG3 H 2.2400 . 2 542 2104 46 GLN CA C 56.9000 . 1 543 2104 46 GLN CB C 28.0059 . 1 544 2104 46 GLN CG C 33.1559 . 1 545 2104 46 GLN N N 118.6600 . 1 546 2104 46 GLN NE2 N 111.1270 . 1 547 2105 47 ARG H H 8.0370 . 1 548 2105 47 ARG HA H 4.0260 . 1 549 2105 47 ARG HB2 H 1.7200 . 2 550 2105 47 ARG HB3 H 1.5700 . 2 551 2105 47 ARG HD2 H 2.9200 . 2 552 2105 47 ARG HD3 H 2.9200 . 2 553 2105 47 ARG HG2 H 1.4100 . 2 554 2105 47 ARG HG3 H 1.3600 . 2 555 2105 47 ARG C C 177.3080 . 1 556 2105 47 ARG CA C 56.6000 . 1 557 2105 47 ARG CB C 29.6359 . 1 558 2105 47 ARG CD C 42.2818 . 1 559 2105 47 ARG CG C 26.3758 . 1 560 2105 47 ARG N N 119.3020 . 1 561 2106 48 THR H H 7.9830 . 1 562 2106 48 THR HA H 4.1520 . 1 563 2106 48 THR HB H 4.2430 . 1 564 2106 48 THR HG2 H 1.1900 . 1 565 2106 48 THR C C 174.6350 . 1 566 2106 48 THR CA C 62.6700 . 1 567 2106 48 THR CB C 68.7660 . 1 568 2106 48 THR CG2 C 21.1517 . 1 569 2106 48 THR N N 113.1980 . 1 570 2107 49 ALA H H 7.9000 . 1 571 2107 49 ALA HA H 4.1940 . 1 572 2107 49 ALA HB H 1.3900 . 1 573 2107 49 ALA C C 178.1680 . 1 574 2107 49 ALA CA C 52.9299 . 1 575 2107 49 ALA CB C 18.3117 . 1 576 2107 49 ALA N N 125.0000 . 1 577 2108 50 LYS H H 7.9600 . 1 578 2108 50 LYS HA H 4.1460 . 1 579 2108 50 LYS HB2 H 1.6830 . 2 580 2108 50 LYS HB3 H 1.6830 . 2 581 2108 50 LYS HD2 H 1.5800 . 2 582 2108 50 LYS HD3 H 1.5800 . 2 583 2108 50 LYS HE2 H 2.9000 . 2 584 2108 50 LYS HE3 H 2.9000 . 2 585 2108 50 LYS HG2 H 1.3050 . 2 586 2108 50 LYS HG3 H 1.2400 . 2 587 2108 50 LYS C C 176.4270 . 1 588 2108 50 LYS CA C 56.3470 . 1 589 2108 50 LYS CB C 32.2108 . 1 590 2108 50 LYS CD C 28.4559 . 1 591 2108 50 LYS CE C 41.3058 . 1 592 2108 50 LYS CG C 24.2217 . 1 593 2108 50 LYS N N 118.6000 . 1 594 2109 51 TYR H H 7.9700 . 1 595 2109 51 TYR HA H 4.5000 . 1 596 2109 51 TYR HB2 H 2.9500 . 2 597 2109 51 TYR HB3 H 3.0430 . 2 598 2109 51 TYR HD1 H 7.0650 . 3 599 2109 51 TYR HE1 H 6.7600 . 3 600 2109 51 TYR C C 175.8310 . 1 601 2109 51 TYR CA C 57.8230 . 1 602 2109 51 TYR CB C 38.2029 . 1 603 2109 51 TYR CD1 C 71.4000 . 3 604 2109 51 TYR CE1 C 56.8200 . 3 605 2109 51 TYR N N 120.5000 . 1 606 2110 52 VAL H H 7.9200 . 1 607 2110 52 VAL HA H 3.9520 . 1 608 2110 52 VAL HB H 2.0160 . 1 609 2110 52 VAL HG1 H 0.9110 . 2 610 2110 52 VAL HG2 H 0.8900 . 2 611 2110 52 VAL C C 175.4700 . 1 612 2110 52 VAL CA C 61.7850 . 1 613 2110 52 VAL CB C 32.3259 . 1 614 2110 52 VAL CG1 C 20.4917 . 2 615 2110 52 VAL CG2 C 20.7317 . 1 616 2110 52 VAL N N 121.8300 . 1 617 2111 53 ALA H H 8.1110 . 1 618 2111 53 ALA HA H 4.2100 . 1 619 2111 53 ALA HB H 1.3700 . 1 620 2111 53 ALA C C 177.1610 . 1 621 2111 53 ALA CA C 52.0028 . 1 622 2111 53 ALA CB C 18.6117 . 1 623 2111 53 ALA N N 126.1360 . 1 624 2112 54 ASN H H 8.1870 . 1 625 2112 54 ASN HA H 4.6450 . 1 626 2112 54 ASN HB2 H 2.7200 . 2 627 2112 54 ASN HB3 H 2.7880 . 2 628 2112 54 ASN HD21 H 7.5860 . 2 629 2112 54 ASN HD22 H 6.9000 . 2 630 2112 54 ASN C C 174.4570 . 1 631 2112 54 ASN CA C 52.4488 . 1 632 2112 54 ASN CB C 38.3258 . 1 633 2112 54 ASN N N 117.1080 . 1 634 2112 54 ASN ND2 N 112.8120 . 1 635 2113 55 GLN H H 8.1220 . 1 636 2113 55 GLN HA H 4.5800 . 1 637 2113 55 GLN HB2 H 1.9110 . 2 638 2113 55 GLN HB3 H 2.0720 . 2 639 2113 55 GLN HE21 H 7.4650 . 2 640 2113 55 GLN HE22 H 6.8330 . 2 641 2113 55 GLN HG2 H 2.3300 . 2 642 2113 55 GLN HG3 H 2.3300 . 2 643 2113 55 GLN CA C 53.0429 . 1 644 2113 55 GLN CB C 28.4158 . 1 645 2113 55 GLN CG C 32.9158 . 1 646 2113 55 GLN N N 121.1750 . 1 647 2113 55 GLN NE2 N 112.5290 . 1 648 2114 56 PRO HA H 4.4000 . 1 649 2114 56 PRO HB2 H 1.9370 . 2 650 2114 56 PRO HB3 H 2.2790 . 2 651 2114 56 PRO HD2 H 3.7530 . 2 652 2114 56 PRO HD3 H 3.6450 . 2 653 2114 56 PRO HG2 H 1.9890 . 2 654 2114 56 PRO HG3 H 2.0480 . 2 655 2114 56 PRO C C 177.2310 . 1 656 2114 56 PRO CA C 62.8360 . 1 657 2114 56 PRO CB C 31.4359 . 1 658 2114 56 PRO CD C 50.0168 . 1 659 2114 56 PRO CG C 25.8848 . 1 660 2115 57 GLY H H 8.5290 . 1 661 2115 57 GLY HA2 H 3.9430 . 2 662 2115 57 GLY HA3 H 3.9430 . 2 663 2115 57 GLY C C 173.8980 . 1 664 2115 57 GLY CA C 44.6319 . 1 665 2115 57 GLY N N 109.4020 . 1 666 2116 58 MET H H 8.0740 . 1 667 2116 58 MET HA H 4.5120 . 1 668 2116 58 MET HB2 H 2.0010 . 2 669 2116 58 MET HB3 H 2.1270 . 2 670 2116 58 MET HE H 2.0700 . 1 671 2116 58 MET HG2 H 2.4900 . 2 672 2116 58 MET HG3 H 2.4900 . 2 673 2116 58 MET C C 175.1060 . 1 674 2116 58 MET CA C 54.7059 . 1 675 2116 58 MET CB C 32.4059 . 1 676 2116 58 MET CE C 16.5117 . 1 677 2116 58 MET CG C 31.7059 . 1 678 2116 58 MET N N 119.9350 . 1 679 2117 59 GLN H H 7.9740 . 1 680 2117 59 GLN HA H 4.1600 . 1 681 2117 59 GLN HB2 H 1.9200 . 2 682 2117 59 GLN HB3 H 2.1100 . 2 683 2117 59 GLN HE21 H 7.4940 . 2 684 2117 59 GLN HE22 H 6.8300 . 2 685 2117 59 GLN HG2 H 2.2840 . 2 686 2117 59 GLN HG3 H 2.2840 . 2 687 2117 59 GLN CA C 56.6000 . 1 688 2117 59 GLN CB C 29.8058 . 1 689 2117 59 GLN CG C 33.6559 . 1 690 2117 59 GLN N N 126.1780 . 1 691 2117 59 GLN NE2 N 112.3630 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $AMBER stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TAD _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 13 1 PRO HA H 4.4600 . 1 2 13 1 PRO HB2 H 1.9230 . 2 3 13 1 PRO HB3 H 2.2900 . 2 4 13 1 PRO HD2 H 3.5750 . 2 5 13 1 PRO HD3 H 3.5320 . 2 6 13 1 PRO HG2 H 2.0040 . 2 7 13 1 PRO HG3 H 2.0040 . 2 8 13 1 PRO C C 176.5670 . 1 9 13 1 PRO CA C 62.4020 . 1 10 13 1 PRO CB C 31.9758 . 1 11 13 1 PRO CD C 49.0839 . 1 12 13 1 PRO CG C 26.5059 . 1 13 14 2 LEU H H 8.4860 . 1 14 14 2 LEU HA H 4.3710 . 1 15 14 2 LEU HB2 H 1.5600 . 2 16 14 2 LEU HB3 H 1.6360 . 2 17 14 2 LEU HD1 H 0.8800 . 2 18 14 2 LEU HD2 H 0.8420 . 2 19 14 2 LEU HG H 1.6380 . 1 20 14 2 LEU C C 176.9930 . 1 21 14 2 LEU CA C 54.4728 . 1 22 14 2 LEU CB C 41.7059 . 1 23 14 2 LEU CD1 C 24.7117 . 1 24 14 2 LEU CD2 C 23.3117 . 2 25 14 2 LEU CG C 26.5858 . 1 26 14 2 LEU N N 121.7970 . 1 27 15 3 SER H H 8.3010 . 1 28 15 3 SER HA H 4.4230 . 1 29 15 3 SER HB2 H 3.8790 . 2 30 15 3 SER HB3 H 3.9380 . 2 31 15 3 SER C C 174.2650 . 1 32 15 3 SER CA C 57.5470 . 1 33 15 3 SER CB C 63.1300 . 1 34 15 3 SER N N 116.7550 . 1 35 16 4 GLN H H 8.5320 . 1 36 16 4 GLN HA H 4.2640 . 1 37 16 4 GLN HB2 H 2.1080 . 2 38 16 4 GLN HB3 H 1.9830 . 2 39 16 4 GLN HE21 H 7.5250 . 2 40 16 4 GLN HE22 H 6.8340 . 2 41 16 4 GLN HG2 H 2.3300 . 2 42 16 4 GLN HG3 H 2.3300 . 2 43 16 4 GLN C C 175.9940 . 1 44 16 4 GLN CA C 56.0220 . 1 45 16 4 GLN CB C 28.6759 . 1 46 16 4 GLN CG C 33.3259 . 1 47 16 4 GLN N N 122.0760 . 1 48 16 4 GLN NE2 N 112.2100 . 1 49 17 5 GLU H H 8.4970 . 1 50 17 5 GLU HA H 4.2530 . 1 51 17 5 GLU HB2 H 1.9700 . 2 52 17 5 GLU HB3 H 1.9300 . 2 53 17 5 GLU HG2 H 2.2150 . 2 54 17 5 GLU HG3 H 2.2150 . 2 55 17 5 GLU C C 176.4790 . 1 56 17 5 GLU CA C 56.7370 . 1 57 17 5 GLU CB C 29.3859 . 1 58 17 5 GLU CG C 35.7558 . 1 59 17 5 GLU N N 121.3570 . 1 60 18 6 THR H H 8.0800 . 1 61 18 6 THR HA H 4.2000 . 1 62 18 6 THR HB H 4.1130 . 1 63 18 6 THR HG2 H 1.0700 . 1 64 18 6 THR C C 174.5290 . 1 65 18 6 THR CA C 62.0610 . 1 66 18 6 THR CB C 68.9700 . 1 67 18 6 THR CG2 C 21.1987 . 1 68 18 6 THR N N 114.8980 . 1 69 19 7 PHE H H 8.2810 . 1 70 19 7 PHE HA H 4.4210 . 1 71 19 7 PHE HB2 H 3.0040 . 2 72 19 7 PHE HB3 H 3.1000 . 2 73 19 7 PHE HD1 H 7.1440 . 3 74 19 7 PHE HD2 H 7.1820 . 3 75 19 7 PHE HE1 H 7.1820 . 3 76 19 7 PHE C C 175.8140 . 1 77 19 7 PHE CA C 58.4060 . 1 78 19 7 PHE CB C 38.4968 . 1 79 19 7 PHE CD1 C 70.0900 . 3 80 19 7 PHE CD2 C 69.8990 . 3 81 19 7 PHE CE1 C 69.8990 . 3 82 19 7 PHE N N 121.0970 . 1 83 20 8 SER H H 8.1270 . 1 84 20 8 SER HA H 4.2000 . 1 85 20 8 SER HB2 H 3.8220 . 2 86 20 8 SER HB3 H 3.9060 . 2 87 20 8 SER C C 174.8810 . 1 88 20 8 SER CA C 59.4470 . 1 89 20 8 SER CB C 62.7000 . 1 90 20 8 SER N N 115.4950 . 1 91 21 9 ASP H H 8.1920 . 1 92 21 9 ASP HA H 4.5070 . 1 93 21 9 ASP HB2 H 2.6230 . 2 94 21 9 ASP HB3 H 2.6230 . 2 95 21 9 ASP C C 176.9990 . 1 96 21 9 ASP CA C 54.9400 . 1 97 21 9 ASP CB C 40.1758 . 1 98 21 9 ASP N N 121.2380 . 1 99 22 10 LEU H H 7.8620 . 1 100 22 10 LEU HA H 3.9910 . 1 101 22 10 LEU HB2 H 1.3340 . 2 102 22 10 LEU HB3 H 1.5100 . 2 103 22 10 LEU HD1 H 0.7440 . 2 104 22 10 LEU HD2 H 0.6650 . 2 105 22 10 LEU HG H 1.5130 . 1 106 22 10 LEU C C 177.6280 . 1 107 22 10 LEU CA C 56.3540 . 1 108 22 10 LEU CB C 41.2629 . 1 109 22 10 LEU CD1 C 24.5717 . 1 110 22 10 LEU CD2 C 23.4117 . 2 111 22 10 LEU CG C 26.3938 . 1 112 22 10 LEU N N 120.6520 . 1 113 23 11 TRP H H 7.8370 . 1 114 23 11 TRP HA H 4.3760 . 1 115 23 11 TRP HB2 H 3.1940 . 2 116 23 11 TRP HB3 H 3.2960 . 2 117 23 11 TRP HD1 H 7.2340 . 1 118 23 11 TRP HE1 H 10.1010 . 3 119 23 11 TRP HE3 H 7.4650 . 3 120 23 11 TRP HH2 H 7.0810 . 1 121 23 11 TRP HZ2 H 7.3700 . 3 122 23 11 TRP HZ3 H 6.9940 . 3 123 23 11 TRP C C 176.9750 . 1 124 23 11 TRP CA C 57.7740 . 1 125 23 11 TRP CB C 28.4959 . 1 126 23 11 TRP CD1 C 65.5000 . 3 127 23 11 TRP CE3 C 59.4730 . 3 128 23 11 TRP CH2 C 62.9460 . 1 129 23 11 TRP CZ2 C 83.2750 . 3 130 23 11 TRP CZ3 C 60.3410 . 1 131 23 11 TRP N N 117.9600 . 1 132 23 11 TRP NE1 N 129.1600 . 1 133 24 12 LYS H H 7.5230 . 1 134 24 12 LYS HA H 4.0600 . 1 135 24 12 LYS HB2 H 1.7190 . 2 136 24 12 LYS HB3 H 1.7850 . 2 137 24 12 LYS HD2 H 1.6230 . 2 138 24 12 LYS HD3 H 1.6230 . 2 139 24 12 LYS HE2 H 2.9300 . 2 140 24 12 LYS HE3 H 2.9300 . 2 141 24 12 LYS HG2 H 1.2370 . 2 142 24 12 LYS HG3 H 1.2370 . 2 143 24 12 LYS C C 176.2490 . 1 144 24 12 LYS CA C 56.6000 . 1 145 24 12 LYS CB C 32.1259 . 1 146 24 12 LYS CD C 28.7059 . 1 147 24 12 LYS CE C 41.3558 . 1 148 24 12 LYS CG C 24.4817 . 1 149 24 12 LYS N N 118.3800 . 1 150 25 13 LEU H H 7.7370 . 1 151 25 13 LEU HA H 4.2530 . 1 152 25 13 LEU HB2 H 1.5580 . 2 153 25 13 LEU HB3 H 1.7330 . 2 154 25 13 LEU HD1 H 0.8000 . 2 155 25 13 LEU HD2 H 0.8650 . 2 156 25 13 LEU HG H 1.6800 . 1 157 25 13 LEU C C 176.5950 . 1 158 25 13 LEU CA C 54.4739 . 1 159 25 13 LEU CB C 41.8358 . 1 160 25 13 LEU CD1 C 22.6117 . 1 161 25 13 LEU CD2 C 24.9458 . 2 162 25 13 LEU CG C 26.3559 . 1 163 25 13 LEU N N 119.2300 . 1 164 26 14 LEU H H 7.6200 . 1 165 26 14 LEU HA H 4.5010 . 1 166 26 14 LEU HB2 H 1.4920 . 2 167 26 14 LEU HB3 H 1.6370 . 2 168 26 14 LEU HD1 H 0.8130 . 2 169 26 14 LEU HD2 H 0.7950 . 2 170 26 14 LEU HG H 1.6500 . 1 171 26 14 LEU CA C 52.5048 . 1 172 26 14 LEU CB C 40.8058 . 1 173 26 14 LEU CD1 C 22.8387 . 1 174 26 14 LEU CD2 C 25.1759 . 2 175 26 14 LEU CG C 26.6359 . 1 176 26 14 LEU N N 121.5800 . 1 177 27 15 PRO HA H 4.3880 . 1 178 27 15 PRO HB2 H 1.9200 . 2 179 27 15 PRO HB3 H 2.2760 . 2 180 27 15 PRO HD2 H 3.6020 . 2 181 27 15 PRO HD3 H 3.7840 . 2 182 27 15 PRO HG2 H 2.0450 . 2 183 27 15 PRO HG3 H 2.0450 . 2 184 27 15 PRO C C 176.8730 . 1 185 27 15 PRO CA C 62.8640 . 1 186 27 15 PRO CB C 31.4559 . 1 187 27 15 PRO CD C 49.8358 . 1 188 27 15 PRO CG C 27.0059 . 1 189 28 16 GLU H H 8.6420 . 1 190 28 16 GLU HA H 4.1680 . 1 191 28 16 GLU HB2 H 1.9400 . 2 192 28 16 GLU HB3 H 2.0120 . 2 193 28 16 GLU HG2 H 2.2080 . 2 194 28 16 GLU HG3 H 2.2450 . 2 195 28 16 GLU C C 175.9720 . 1 196 28 16 GLU CA C 56.5800 . 1 197 28 16 GLU CB C 29.2589 . 1 198 28 16 GLU CG C 35.7198 . 1 199 28 16 GLU N N 119.6800 . 1 200 29 17 ASN H H 8.2620 . 1 201 29 17 ASN HA H 4.6770 . 1 202 29 17 ASN HB2 H 2.7100 . 2 203 29 17 ASN HB3 H 2.7900 . 2 204 29 17 ASN HD21 H 7.5400 . 2 205 29 17 ASN HD22 H 6.7420 . 2 206 29 17 ASN C C 174.3590 . 1 207 29 17 ASN CA C 52.6559 . 1 208 29 17 ASN CB C 38.3058 . 1 209 29 17 ASN N N 118.3920 . 1 210 29 17 ASN ND2 N 112.6290 . 1 211 30 18 ASN H H 8.2790 . 1 212 30 18 ASN HA H 4.6830 . 1 213 30 18 ASN HB2 H 2.7200 . 2 214 30 18 ASN HB3 H 2.8000 . 2 215 30 18 ASN HD21 H 7.5360 . 2 216 30 18 ASN HD22 H 6.8800 . 2 217 30 18 ASN C C 174.6560 . 1 218 30 18 ASN CA C 52.7059 . 1 219 30 18 ASN CB C 38.3058 . 1 220 30 18 ASN N N 119.0100 . 1 221 30 18 ASN ND2 N 112.6400 . 1 222 31 19 VAL H H 8.0000 . 1 223 31 19 VAL HA H 4.0730 . 1 224 31 19 VAL HB H 2.1000 . 1 225 31 19 VAL HG1 H 0.9000 . 2 226 31 19 VAL HG2 H 0.9000 . 2 227 31 19 VAL C C 175.5460 . 1 228 31 19 VAL CA C 61.9720 . 1 229 31 19 VAL CB C 32.0079 . 1 230 31 19 VAL CG1 C 20.7317 . 2 231 31 19 VAL CG2 C 20.0267 . 1 232 31 19 VAL N N 119.4240 . 1 233 32 20 LEU H H 8.1920 . 1 234 32 20 LEU HA H 4.3630 . 1 235 32 20 LEU HB2 H 1.5550 . 2 236 32 20 LEU HB3 H 1.5550 . 2 237 32 20 LEU HD1 H 0.8120 . 2 238 32 20 LEU HD2 H 0.8800 . 2 239 32 20 LEU HG H 1.6580 . 1 240 32 20 LEU C C 176.5620 . 1 241 32 20 LEU CA C 54.3058 . 1 242 32 20 LEU CB C 41.7228 . 1 243 32 20 LEU CD1 C 22.8417 . 1 244 32 20 LEU CD2 C 24.7117 . 2 245 32 20 LEU CG C 26.6059 . 1 246 32 20 LEU N N 124.0000 . 1 247 33 21 SER H H 8.1020 . 1 248 33 21 SER HA H 4.6900 . 1 249 33 21 SER HB2 H 3.7780 . 2 250 33 21 SER HB3 H 3.8240 . 2 251 33 21 SER CA C 55.4110 . 1 252 33 21 SER CB C 62.6750 . 1 253 33 21 SER N N 117.4090 . 1 254 34 22 PRO HA H 4.4200 . 1 255 34 22 PRO HB2 H 1.8710 . 2 256 34 22 PRO HB3 H 2.2000 . 2 257 34 22 PRO HD2 H 3.7050 . 2 258 34 22 PRO HD3 H 3.6580 . 2 259 34 22 PRO HG2 H 1.9750 . 2 260 34 22 PRO HG3 H 1.9350 . 2 261 34 22 PRO C C 176.2710 . 1 262 34 22 PRO CA C 62.4830 . 1 263 34 22 PRO CB C 31.5158 . 1 264 34 22 PRO CD C 50.0209 . 1 265 34 22 PRO CG C 26.6059 . 1 266 35 23 LEU H H 8.1890 . 1 267 35 23 LEU HA H 4.5340 . 1 268 35 23 LEU HB2 H 1.4950 . 2 269 35 23 LEU HB3 H 1.5470 . 2 270 35 23 LEU HD1 H 0.8670 . 2 271 35 23 LEU HD2 H 0.8800 . 2 272 35 23 LEU HG H 1.6470 . 1 273 35 23 LEU CA C 52.4169 . 1 274 35 23 LEU CB C 41.2198 . 1 275 35 23 LEU CD1 C 23.0737 . 1 276 35 23 LEU CD2 C 24.9458 . 2 277 35 23 LEU CG C 26.5858 . 1 278 35 23 LEU N N 122.9450 . 1 279 36 24 PRO HA H 4.4460 . 1 280 36 24 PRO HB2 H 2.0170 . 2 281 36 24 PRO HB3 H 2.1990 . 2 282 36 24 PRO HD2 H 3.5700 . 2 283 36 24 PRO HD3 H 3.7900 . 2 284 36 24 PRO HG2 H 1.9800 . 2 285 36 24 PRO HG3 H 1.9800 . 2 286 36 24 PRO C C 176.6970 . 1 287 36 24 PRO CA C 62.6000 . 1 288 36 24 PRO CB C 31.5059 . 1 289 36 24 PRO CD C 49.8258 . 1 290 36 24 PRO CG C 26.4058 . 1 291 37 25 SER H H 8.3140 . 1 292 37 25 SER HA H 4.3000 . 1 293 37 25 SER HB2 H 3.8230 . 2 294 37 25 SER HB3 H 3.8930 . 2 295 37 25 SER C C 174.5720 . 1 296 37 25 SER CA C 58.3100 . 1 297 37 25 SER CB C 62.7130 . 1 298 37 25 SER N N 115.5700 . 1 299 38 26 GLN H H 8.3570 . 1 300 38 26 GLN HA H 4.2930 . 1 301 38 26 GLN HB2 H 1.9940 . 2 302 38 26 GLN HB3 H 2.1030 . 2 303 38 26 GLN HE21 H 7.6000 . 2 304 38 26 GLN HE22 H 6.8500 . 2 305 38 26 GLN HG2 H 2.3450 . 2 306 38 26 GLN HG3 H 2.3450 . 2 307 38 26 GLN C C 175.4560 . 1 308 38 26 GLN CA C 55.6000 . 1 309 38 26 GLN CB C 28.6958 . 1 310 38 26 GLN CG C 33.3838 . 1 311 38 26 GLN N N 121.6740 . 1 312 38 26 GLN NE2 N 112.6170 . 1 313 39 27 ALA H H 8.1580 . 1 314 39 27 ALA HA H 4.2600 . 1 315 39 27 ALA HB H 1.3670 . 1 316 39 27 ALA C C 177.6940 . 1 317 39 27 ALA CA C 52.1298 . 1 318 39 27 ALA CB C 18.8517 . 1 319 39 27 ALA N N 123.9700 . 1 320 40 28 MET H H 8.2020 . 1 321 40 28 MET HA H 4.3890 . 1 322 40 28 MET HB2 H 2.0030 . 2 323 40 28 MET HB3 H 2.0720 . 2 324 40 28 MET HE H 1.9900 . 1 325 40 28 MET HG2 H 2.4820 . 2 326 40 28 MET HG3 H 2.5620 . 2 327 40 28 MET C C 176.1080 . 1 328 40 28 MET CA C 55.2600 . 1 329 40 28 MET CB C 31.9758 . 1 330 40 28 MET CE C 16.7467 . 1 331 40 28 MET CG C 31.7459 . 1 332 40 28 MET N N 118.3530 . 1 333 41 29 ASP H H 8.1560 . 1 334 41 29 ASP HA H 4.5300 . 1 335 41 29 ASP HB2 H 2.6240 . 2 336 41 29 ASP HB3 H 2.6740 . 2 337 41 29 ASP C C 176.1160 . 1 338 41 29 ASP CA C 54.1538 . 1 339 41 29 ASP CB C 40.4059 . 1 340 41 29 ASP N N 120.4000 . 1 341 42 30 ASP H H 8.1670 . 1 342 42 30 ASP HA H 4.4140 . 1 343 42 30 ASP HB2 H 2.6400 . 2 344 42 30 ASP HB3 H 2.6400 . 2 345 42 30 ASP CA C 55.3400 . 1 346 42 30 ASP CB C 40.2059 . 1 347 42 30 ASP N N 119.5140 . 1 348 43 31 LEU H H 7.9830 . 1 349 43 31 LEU HA H 4.2460 . 1 350 43 31 LEU HB2 H 1.5580 . 2 351 43 31 LEU HB3 H 1.6680 . 2 352 43 31 LEU HD1 H 0.7900 . 2 353 43 31 LEU HD2 H 0.8550 . 2 354 43 31 LEU HG H 1.6200 . 1 355 43 31 LEU C C 176.3410 . 1 356 43 31 LEU CA C 54.9000 . 1 357 43 31 LEU CB C 41.8058 . 1 358 43 31 LEU CD1 C 23.3117 . 1 359 43 31 LEU CD2 C 24.7117 . 2 360 43 31 LEU CG C 26.5059 . 1 361 43 31 LEU N N 121.1740 . 1 362 44 32 MET H H 8.1450 . 1 363 44 32 MET HA H 4.5070 . 1 364 44 32 MET HB2 H 2.1280 . 2 365 44 32 MET HB3 H 2.0020 . 2 366 44 32 MET HE H 2.0340 . 1 367 44 32 MET HG2 H 2.4860 . 2 368 44 32 MET HG3 H 2.5770 . 2 369 44 32 MET C C 175.2120 . 1 370 44 32 MET CA C 54.7059 . 1 371 44 32 MET CB C 32.2119 . 1 372 44 32 MET CE C 16.7467 . 1 373 44 32 MET CG C 31.7429 . 1 374 44 32 MET N N 119.4250 . 1 375 45 33 LEU H H 8.0000 . 1 376 45 33 LEU HA H 4.4760 . 1 377 45 33 LEU HB2 H 1.4800 . 2 378 45 33 LEU HB3 H 1.5740 . 2 379 45 33 LEU HD1 H 0.8040 . 2 380 45 33 LEU HD2 H 0.8190 . 2 381 45 33 LEU HG H 1.5800 . 1 382 45 33 LEU C C 175.8470 . 1 383 45 33 LEU CA C 53.7709 . 1 384 45 33 LEU CB C 42.7919 . 1 385 45 33 LEU CD1 C 23.3117 . 1 386 45 33 LEU CD2 C 24.9479 . 2 387 45 33 LEU CG C 26.4058 . 1 388 45 33 LEU N N 122.1200 . 1 389 46 34 SER H H 8.7710 . 1 390 46 34 SER HA H 4.8620 . 1 391 46 34 SER HB2 H 3.8810 . 2 392 46 34 SER HB3 H 4.0330 . 2 393 46 34 SER CA C 54.9400 . 1 394 46 34 SER CB C 63.1810 . 1 395 46 34 SER N N 118.7000 . 1 396 47 35 PRO HA H 4.2240 . 1 397 47 35 PRO HB2 H 1.9700 . 2 398 47 35 PRO HB3 H 2.2450 . 2 399 47 35 PRO HD2 H 3.8400 . 2 400 47 35 PRO HD3 H 3.8400 . 2 401 47 35 PRO HG2 H 2.0660 . 2 402 47 35 PRO HG3 H 1.9080 . 2 403 47 35 PRO C C 177.2200 . 1 404 47 35 PRO CA C 64.3070 . 1 405 47 35 PRO CB C 31.3159 . 1 406 47 35 PRO CD C 50.0058 . 1 407 47 35 PRO CG C 27.2159 . 1 408 48 36 ASP H H 8.0890 . 1 409 48 36 ASP HA H 4.4100 . 1 410 48 36 ASP HB2 H 2.4870 . 2 411 48 36 ASP HB3 H 2.6420 . 2 412 48 36 ASP C C 176.9960 . 1 413 48 36 ASP CA C 55.3700 . 1 414 48 36 ASP CB C 40.1259 . 1 415 48 36 ASP N N 116.8340 . 1 416 49 37 ASP H H 7.8450 . 1 417 49 37 ASP HA H 4.4600 . 1 418 49 37 ASP HB2 H 2.6200 . 2 419 49 37 ASP HB3 H 2.7780 . 2 420 49 37 ASP CA C 55.2550 . 1 421 49 37 ASP CB C 40.6458 . 1 422 49 37 ASP N N 119.6900 . 1 423 50 38 ILE H H 7.5000 . 1 424 50 38 ILE HA H 3.4700 . 1 425 50 38 ILE HB H 1.7760 . 1 426 50 38 ILE HD1 H 0.6600 . 1 427 50 38 ILE HG12 H 0.9540 . 1 428 50 38 ILE HG13 H 1.3340 . 1 429 50 38 ILE HG2 H 0.7470 . 2 430 50 38 ILE C C 177.8850 . 1 431 50 38 ILE CA C 61.9700 . 1 432 50 38 ILE CB C 37.3858 . 1 433 50 38 ILE CD1 C 12.9117 . 1 434 50 38 ILE CG1 C 27.7559 . 1 435 50 38 ILE CG2 C 17.3457 . 1 436 50 38 ILE N N 118.6000 . 1 437 51 39 GLU H H 7.8590 . 1 438 51 39 GLU HA H 4.1600 . 1 439 51 39 GLU HB2 H 1.9780 . 2 440 51 39 GLU HB3 H 2.0520 . 2 441 51 39 GLU HG2 H 2.2400 . 2 442 51 39 GLU HG3 H 2.2400 . 2 443 51 39 GLU CA C 56.5000 . 1 444 51 39 GLU CB C 28.0459 . 1 445 51 39 GLU CG C 33.1259 . 1 446 51 39 GLU N N 117.1800 . 1 447 52 40 GLN H H 8.0770 . 1 448 52 40 GLN HA H 4.0040 . 1 449 52 40 GLN HB2 H 2.0000 . 2 450 52 40 GLN HB3 H 2.0000 . 2 451 52 40 GLN HE21 H 7.4700 . 2 452 52 40 GLN HE22 H 6.7900 . 2 453 52 40 GLN HG2 H 2.2350 . 2 454 52 40 GLN HG3 H 2.3000 . 2 455 52 40 GLN C C 176.7210 . 1 456 52 40 GLN CA C 58.0170 . 1 457 52 40 GLN CB C 28.9359 . 1 458 52 40 GLN CG C 35.7059 . 1 459 52 40 GLN N N 120.1800 . 1 460 52 40 GLN NE2 N 112.3610 . 1 461 53 41 TRP H H 7.9070 . 1 462 53 41 TRP HA H 4.5100 . 1 463 53 41 TRP HB2 H 2.9800 . 2 464 53 41 TRP HB3 H 3.1000 . 2 465 53 41 TRP HD1 H 7.0140 . 1 466 53 41 TRP HE1 H 10.0290 . 3 467 53 41 TRP HE3 H 7.3460 . 3 468 53 41 TRP HH2 H 7.0000 . 1 469 53 41 TRP HZ2 H 7.3140 . 3 470 53 41 TRP HZ3 H 6.8830 . 3 471 53 41 TRP C C 176.2470 . 1 472 53 41 TRP CA C 57.2860 . 1 473 53 41 TRP CB C 28.9058 . 1 474 53 41 TRP CD1 C 64.6230 . 3 475 53 41 TRP CE3 C 59.2500 . 3 476 53 41 TRP CH2 C 62.6750 . 1 477 53 41 TRP CZ2 C 83.0620 . 3 478 53 41 TRP CZ3 C 60.0900 . 1 479 53 41 TRP N N 119.8600 . 1 480 53 41 TRP NE1 N 128.5350 . 1 481 54 42 PHE H H 7.8700 . 1 482 54 42 PHE HA H 4.6360 . 1 483 54 42 PHE HB2 H 2.9400 . 2 484 54 42 PHE HB3 H 3.2100 . 2 485 54 42 PHE HD1 H 7.2810 . 3 486 54 42 PHE HE1 H 7.2000 . 3 487 54 42 PHE HZ H 7.1030 . 1 488 54 42 PHE C C 175.2830 . 1 489 54 42 PHE CA C 57.2200 . 1 490 54 42 PHE CB C 39.0358 . 1 491 54 42 PHE CD1 C 70.4070 . 3 492 54 42 PHE CE1 C 69.9300 . 3 493 54 42 PHE CZ C 67.8300 . 1 494 54 42 PHE N N 117.2700 . 1 495 55 43 THR H H 7.8240 . 1 496 55 43 THR HA H 4.3360 . 1 497 55 43 THR HB H 4.2100 . 1 498 55 43 THR HG2 H 1.2030 . 1 499 55 43 THR C C 173.8130 . 1 500 55 43 THR CA C 61.2540 . 1 501 55 43 THR CB C 69.2360 . 1 502 55 43 THR CG2 C 20.9717 . 1 503 55 43 THR N N 114.0500 . 1 504 56 44 GLU H H 8.2830 . 1 505 56 44 GLU HA H 4.2970 . 1 506 56 44 GLU HB2 H 1.9100 . 2 507 56 44 GLU HB3 H 2.0200 . 2 508 56 44 GLU HG2 H 2.2600 . 2 509 56 44 GLU HG3 H 2.2660 . 2 510 56 44 GLU C C 175.3350 . 1 511 56 44 GLU CA C 55.4790 . 1 512 56 44 GLU CB C 30.0359 . 1 513 56 44 GLU CG C 35.5959 . 1 514 56 44 GLU N N 123.1800 . 1 515 57 45 ASP H H 8.4210 . 1 516 57 45 ASP HA H 4.8320 . 1 517 57 45 ASP HB2 H 2.5020 . 2 518 57 45 ASP HB3 H 2.7170 . 2 519 57 45 ASP CA C 51.6308 . 1 520 57 45 ASP CB C 40.6379 . 1 521 57 45 ASP N N 123.3900 . 1 522 58 46 PRO HA H 4.4400 . 1 523 58 46 PRO HB2 H 2.0200 . 2 524 58 46 PRO HB3 H 2.2300 . 2 525 58 46 PRO HD2 H 3.7890 . 2 526 58 46 PRO HD3 H 3.7890 . 2 527 58 46 PRO HG2 H 1.9960 . 2 528 58 46 PRO HG3 H 2.0200 . 2 529 58 46 PRO C C 176.8190 . 1 530 58 46 PRO CA C 62.6260 . 1 531 58 46 PRO CB C 31.7459 . 1 532 58 46 PRO CD C 50.0378 . 1 533 58 46 PRO CG C 26.6059 . 1 534 59 47 GLY H H 8.3020 . 1 535 59 47 GLY HA2 H 4.0570 . 2 536 59 47 GLY HA3 H 4.0570 . 2 537 59 47 GLY CA C 43.6928 . 1 538 59 47 GLY N N 109.2100 . 1 539 60 48 PRO HA H 4.4450 . 1 540 60 48 PRO HB2 H 2.0000 . 2 541 60 48 PRO HB3 H 2.2000 . 2 542 60 48 PRO HD2 H 3.6300 . 2 543 60 48 PRO HD3 H 3.5640 . 2 544 60 48 PRO HG2 H 2.0280 . 2 545 60 48 PRO HG3 H 2.0000 . 2 546 60 48 PRO C C 175.8050 . 1 547 60 48 PRO CA C 62.6900 . 1 548 60 48 PRO CB C 31.6059 . 1 549 60 48 PRO CD C 49.0839 . 1 550 60 48 PRO CG C 26.4058 . 1 551 61 49 ASP H H 7.9570 . 1 552 61 49 ASP HA H 4.3570 . 1 553 61 49 ASP HB2 H 2.5340 . 2 554 61 49 ASP HB3 H 2.6700 . 2 555 61 49 ASP CA C 55.3000 . 1 556 61 49 ASP CB C 41.5758 . 1 557 61 49 ASP N N 125.8180 . 1 stop_ save_