data_6923 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N resonance assignments of the N-terminal domain of FKBP38 (FKBP38NTD) ; _BMRB_accession_number 6923 _BMRB_flat_file_name bmr6923.str _Entry_type original _Submission_date 2005-12-12 _Accession_date 2005-12-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'FK-506 binding domain from FKBP38' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang 'Cong Bao' . . 2 Ye Hong . . 3 Vivekanandan Subramanian . . 4 Yoon 'Ho Sup' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 819 "13C chemical shifts" 610 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-31 update author 'update assignments' 2013-10-25 update author 'update entry citation' 2007-01-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Functional role of the flexible N-terminal extension of FKBP38 in catalysis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24145868 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang 'Cong Bao' . . 2 Ye Hong . . 3 Chia Joel . . 4 Choi Bo-Hwa . . 5 Dhe-Paganon Sirano . . 6 Simon Bernd . . 7 Schutz Ulrike . . 8 Sattler Michael . . 9 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 3 _Journal_issue 2985 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N resonance assignments of the N-terminal domain of FKBP38 (FKBP38NTD) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16718587 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang 'Cong Bao' . . 2 Ye Hong . . 3 Vivekanandan Subramanian . . 4 Simon Bernd . . 5 Sattler Michael . . 6 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 37 _Page_last 37 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FKBP38 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FKBP38 $FKBP38 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details FKBP38 save_ ######################## # Monomeric polymers # ######################## save_FKBP38 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FKBP38 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; MGQPPAEEAEQPGALAREFL AAMEPEPAPAPAPEEWLDIL GNGLLRKKTLVPGPPGSSRP VKGQVVTVHLQTSLENGTRV QEEPELVFTLGDCDVIQALD LSVPLMDVGETAMVTADSKY CYGPQGSRSPYIPPHAALCL EVTLKTAVDLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 GLN 4 PRO 5 PRO 6 ALA 7 GLU 8 GLU 9 ALA 10 GLU 11 GLN 12 PRO 13 GLY 14 ALA 15 LEU 16 ALA 17 ARG 18 GLU 19 PHE 20 LEU 21 ALA 22 ALA 23 MET 24 GLU 25 PRO 26 GLU 27 PRO 28 ALA 29 PRO 30 ALA 31 PRO 32 ALA 33 PRO 34 GLU 35 GLU 36 TRP 37 LEU 38 ASP 39 ILE 40 LEU 41 GLY 42 ASN 43 GLY 44 LEU 45 LEU 46 ARG 47 LYS 48 LYS 49 THR 50 LEU 51 VAL 52 PRO 53 GLY 54 PRO 55 PRO 56 GLY 57 SER 58 SER 59 ARG 60 PRO 61 VAL 62 LYS 63 GLY 64 GLN 65 VAL 66 VAL 67 THR 68 VAL 69 HIS 70 LEU 71 GLN 72 THR 73 SER 74 LEU 75 GLU 76 ASN 77 GLY 78 THR 79 ARG 80 VAL 81 GLN 82 GLU 83 GLU 84 PRO 85 GLU 86 LEU 87 VAL 88 PHE 89 THR 90 LEU 91 GLY 92 ASP 93 CYS 94 ASP 95 VAL 96 ILE 97 GLN 98 ALA 99 LEU 100 ASP 101 LEU 102 SER 103 VAL 104 PRO 105 LEU 106 MET 107 ASP 108 VAL 109 GLY 110 GLU 111 THR 112 ALA 113 MET 114 VAL 115 THR 116 ALA 117 ASP 118 SER 119 LYS 120 TYR 121 CYS 122 TYR 123 GLY 124 PRO 125 GLN 126 GLY 127 SER 128 ARG 129 SER 130 PRO 131 TYR 132 ILE 133 PRO 134 PRO 135 HIS 136 ALA 137 ALA 138 LEU 139 CYS 140 LEU 141 GLU 142 VAL 143 THR 144 LEU 145 LYS 146 THR 147 ALA 148 VAL 149 ASP 150 LEU 151 GLU 152 HIS 153 HIS 154 HIS 155 HIS 156 HIS 157 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 6902 hFKBP38D 73.89 121 98.28 98.28 8.73e-74 PDB 2AWG "Structure Of The Ppiase Domain Of The Human Fk506-Binding Protein 8" 75.16 118 98.31 99.15 1.38e-75 PDB 2D9F "Solution Structure Of Ruh-047, An Fkbp Domain From Human Cdna" 73.89 135 100.00 100.00 3.90e-77 PDB 2F2D "Solution Structure Of The Fk506-Binding Domain Of Human Fkbp38" 73.89 121 98.28 98.28 8.73e-74 PDB 2MF9 "Solution Structure Of The N-terminal Domain Of Human Fkbp38 (fkbp38ntd)" 100.00 157 100.00 100.00 2.40e-108 PDB 3EY6 "Crystal Structure Of The Fk506-Binding Domain Of Human Fkbp38" 73.89 121 98.28 98.28 8.73e-74 DBJ BAD96558 "FK506-binding protein 8 variant [Homo sapiens]" 94.90 372 100.00 100.00 1.75e-100 DBJ BAG36163 "unnamed protein product [Homo sapiens]" 94.90 356 100.00 100.00 5.42e-101 DBJ BAG72557 "FK506 binding protein 8 [synthetic construct]" 94.90 413 100.00 100.00 1.70e-99 DBJ BAH13306 "unnamed protein product [Homo sapiens]" 94.90 441 99.33 99.33 1.89e-96 EMBL CAD98028 "hypothetical protein [Homo sapiens]" 94.90 451 98.66 98.66 3.96e-97 EMBL CAL37783 "hypothetical protein [synthetic construct]" 94.90 413 100.00 100.00 1.87e-99 GB AAB00102 "FK-506 binding protein homologue [Homo sapiens]" 94.90 355 99.33 99.33 1.87e-98 GB AAC28753 "FK-506 binding protein homologue [Homo sapiens]" 94.90 355 99.33 99.33 1.87e-98 GB AAH09966 "FKBP8 protein [Homo sapiens]" 94.90 355 99.33 99.33 1.87e-98 GB AAO39020 "FK506-binding protein 38 [Homo sapiens]" 94.90 412 99.33 99.33 5.26e-97 GB AAQ84561 "FKBP8 [Homo sapiens]" 94.90 412 99.33 99.33 5.26e-97 REF NP_001247999 "peptidyl-prolyl cis-trans isomerase FKBP8 [Macaca mulatta]" 94.90 413 99.33 99.33 9.84e-99 REF NP_036313 "peptidyl-prolyl cis-trans isomerase FKBP8 [Homo sapiens]" 94.90 413 100.00 100.00 1.70e-99 REF XP_002761955 "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP8 [Callithrix jacchus]" 94.90 413 98.66 98.66 8.26e-97 REF XP_002828980 "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP8 isoform X3 [Pongo abelii]" 94.90 441 98.66 98.66 7.15e-96 REF XP_002828981 "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP8 isoform X2 [Pongo abelii]" 94.90 469 98.66 98.66 1.10e-95 SP Q14318 "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP8; Short=PPIase FKBP8; AltName: Full=38 kDa FK506-binding protein; Short=" 94.90 412 99.33 99.33 5.26e-97 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FKBP38 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 $FKBP38 'recombinant technology' 'E. coli' . . . pET29 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-FKBP38 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FKBP38 . mM 0.3 0.5 [U-15N] Na-PO4 20 mM . . . NaCl 10 mM . . . DTT 1 mM . . . Na3N 1 mM . . . D2O 10 % . . . stop_ save_ save_15N_13C-FKBP38 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FKBP38 . mM 0.3 0.5 '[U-13C; U-15N]' Na-PO4 20 mM . . . NaCl 10 mM . . . DTT 1 mM . . . Na3N 1 mM . . . D2O 10 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Spectra were acquired at 303 K on a 700 MHz equipped with cryogenic probe.' save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label . save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCA _Sample_label . save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HN(CO)CA _Sample_label . save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCO _Sample_label . save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCACB _Sample_label . save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_CBCA(CO)NH _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_15N13C-FKBP38 _Saveframe_category sample_conditions _Details '03-0.5 mM in a buffer containing 20 mM Na-PO4, 10 mM NaCl, 1 mM DTT, 1mM Na3N, 10% D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 0.2 pH temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 internal 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details '15N, 13C15N' loop_ _Experiment_label 1H15N_HSQC 3D_HNCA 3D_HN(CO)CA 3D_HNCO 3D_HNCACB 3D_CBCA(CO)NH stop_ loop_ _Sample_label $15N-FKBP38 $15N_13C-FKBP38 stop_ _Sample_conditions_label $condition_15N13C-FKBP38 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name FKBP38 _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 5 5 PRO HA H 4.426 0.010 1 2 5 5 PRO HB2 H 2.321 0.010 2 3 5 5 PRO HB3 H 2.042 0.010 2 4 5 5 PRO HG2 H 1.952 0.010 2 5 5 5 PRO HD2 H 3.811 0.010 2 6 5 5 PRO HD3 H 3.660 0.010 2 7 5 5 PRO C C 176.063 0.150 1 8 5 5 PRO CA C 62.471 0.150 1 9 5 5 PRO CB C 31.439 0.150 1 10 5 5 PRO CG C 27.020 0.150 1 11 5 5 PRO CD C 49.460 0.150 1 12 6 6 ALA H H 8.354 0.010 1 13 6 6 ALA HA H 4.286 0.010 1 14 6 6 ALA HB H 1.409 0.010 1 15 6 6 ALA C C 177.300 0.150 1 16 6 6 ALA CA C 52.115 0.150 1 17 6 6 ALA CB C 18.140 0.150 1 18 6 6 ALA N N 124.293 0.150 1 19 7 7 GLU H H 8.417 0.010 1 20 7 7 GLU HA H 4.282 0.010 1 21 7 7 GLU HB2 H 2.051 0.010 2 22 7 7 GLU HB3 H 1.975 0.010 2 23 7 7 GLU HG2 H 2.255 0.010 2 24 7 7 GLU HG3 H 2.050 0.010 2 25 7 7 GLU C C 175.964 0.150 1 26 7 7 GLU CA C 55.527 0.150 1 27 7 7 GLU CB C 29.644 0.150 1 28 7 7 GLU CG C 35.775 0.150 1 29 7 7 GLU N N 119.596 0.150 1 30 8 8 GLU H H 8.318 0.010 1 31 8 8 GLU HA H 4.275 0.010 1 32 8 8 GLU HB2 H 1.927 0.010 2 33 8 8 GLU HB3 H 1.822 0.010 2 34 8 8 GLU HG2 H 2.261 0.010 2 35 8 8 GLU HG3 H 2.055 0.010 2 36 8 8 GLU C C 175.528 0.150 1 37 8 8 GLU CA C 56.099 0.150 1 38 8 8 GLU CB C 29.708 0.150 1 39 8 8 GLU CG C 35.665 0.150 1 40 8 8 GLU N N 121.702 0.150 1 41 9 9 ALA H H 8.200 0.010 1 42 9 9 ALA HA H 4.318 0.010 1 43 9 9 ALA HB H 1.402 0.010 1 44 9 9 ALA C C 177.249 0.150 1 45 9 9 ALA CA C 52.047 0.150 1 46 9 9 ALA CB C 18.846 0.150 1 47 9 9 ALA N N 124.619 0.150 1 48 10 10 GLU H H 8.276 0.010 1 49 10 10 GLU HA H 4.274 0.010 1 50 10 10 GLU HB2 H 2.038 0.010 2 51 10 10 GLU HB3 H 1.947 0.010 2 52 10 10 GLU HG2 H 2.275 0.010 2 53 10 10 GLU HG3 H 2.255 0.010 2 54 10 10 GLU C C 175.691 0.150 1 55 10 10 GLU CA C 55.814 0.150 1 56 10 10 GLU CB C 29.644 0.150 1 57 10 10 GLU CG C 35.667 0.150 1 58 10 10 GLU N N 119.945 0.150 1 59 11 11 GLN H H 8.348 0.010 1 60 11 11 GLN HA H 4.639 0.010 1 61 11 11 GLN HB2 H 1.948 0.010 2 62 11 11 GLN HB3 H 1.941 0.010 2 63 11 11 GLN HG2 H 2.399 0.010 2 64 11 11 GLN HG3 H 2.396 0.010 2 65 11 11 GLN HE21 H 7.511 0.010 2 66 11 11 GLN HE22 H 6.848 0.010 2 67 11 11 GLN CA C 52.996 0.150 1 68 11 11 GLN CB C 28.395 0.150 1 69 11 11 GLN N N 122.259 0.150 1 70 11 11 GLN NE2 N 111.590 0.150 1 71 12 12 PRO HA H 4.428 0.010 1 72 12 12 PRO HB2 H 2.318 0.010 2 73 12 12 PRO HB3 H 2.055 0.010 2 74 12 12 PRO HG2 H 1.949 0.010 2 75 12 12 PRO HG3 H 1.902 0.010 2 76 12 12 PRO HD2 H 3.803 0.010 2 77 12 12 PRO HD3 H 3.646 0.010 2 78 12 12 PRO C C 177.138 0.150 1 79 12 12 PRO CA C 63.077 0.150 1 80 12 12 PRO CB C 31.331 0.150 1 81 12 12 PRO CG C 26.955 0.150 1 82 12 12 PRO CD C 50.612 0.150 1 83 13 13 GLY H H 8.498 0.010 1 84 13 13 GLY HA2 H 3.942 0.010 2 85 13 13 GLY HA3 H 3.942 0.010 2 86 13 13 GLY C C 173.532 0.150 1 87 13 13 GLY CA C 44.311 0.150 1 88 13 13 GLY N N 109.443 0.150 1 89 14 14 ALA H H 8.032 0.010 1 90 14 14 ALA HA H 4.295 0.010 1 91 14 14 ALA HB H 1.405 0.010 1 92 14 14 ALA C C 175.735 0.150 1 93 14 14 ALA CA C 51.501 0.150 1 94 14 14 ALA CB C 18.428 0.150 1 95 14 14 ALA N N 123.441 0.150 1 96 15 15 LEU H H 8.103 0.010 1 97 15 15 LEU HA H 4.290 0.010 1 98 15 15 LEU HB2 H 1.959 0.010 2 99 15 15 LEU HB3 H 1.462 0.010 2 100 15 15 LEU HG H 1.390 0.010 1 101 15 15 LEU HD1 H 0.868 0.010 2 102 15 15 LEU HD2 H 0.491 0.010 2 103 15 15 LEU C C 176.250 0.150 1 104 15 15 LEU CA C 54.089 0.150 1 105 15 15 LEU CB C 41.592 0.150 1 106 15 15 LEU CG C 26.430 0.150 1 107 15 15 LEU CD1 C 21.554 0.150 1 108 15 15 LEU CD2 C 20.404 0.150 1 109 15 15 LEU N N 120.610 0.150 1 110 16 16 ALA H H 8.137 0.010 1 111 16 16 ALA HA H 4.314 0.010 1 112 16 16 ALA HB H 1.420 0.010 1 113 16 16 ALA C C 176.703 0.150 1 114 16 16 ALA CA C 52.082 0.150 1 115 16 16 ALA CB C 18.357 0.150 1 116 16 16 ALA N N 124.494 0.150 1 117 17 17 ARG H H 8.189 0.010 1 118 17 17 ARG HA H 4.234 0.010 1 119 17 17 ARG HB2 H 1.799 0.010 2 120 17 17 ARG HB3 H 1.633 0.010 2 121 17 17 ARG HG2 H 1.407 0.010 2 122 17 17 ARG HG3 H 1.283 0.010 2 123 17 17 ARG HD2 H 3.207 0.010 2 124 17 17 ARG C C 175.980 0.150 1 125 17 17 ARG CA C 56.089 0.150 1 126 17 17 ARG CB C 30.055 0.150 1 127 17 17 ARG CG C 26.587 0.150 1 128 17 17 ARG CD C 42.821 0.150 1 129 17 17 ARG N N 119.944 0.150 1 130 18 18 GLU H H 8.428 0.010 1 131 18 18 GLU HA H 4.206 0.010 1 132 18 18 GLU HB2 H 1.925 0.010 2 133 18 18 GLU HB3 H 1.904 0.010 2 134 18 18 GLU HG2 H 2.168 0.010 2 135 18 18 GLU HG3 H 2.113 0.010 2 136 18 18 GLU C C 177.286 0.150 1 137 18 18 GLU CA C 56.612 0.150 1 138 18 18 GLU CB C 29.534 0.150 1 139 18 18 GLU CG C 35.766 0.150 1 140 18 18 GLU N N 120.902 0.150 1 141 19 19 PHE H H 8.109 0.010 1 142 19 19 PHE HA H 4.605 0.010 1 143 19 19 PHE HB2 H 3.182 0.010 2 144 19 19 PHE HB3 H 3.048 0.010 2 145 19 19 PHE HD1 H 7.241 0.010 3 146 19 19 PHE HD2 H 7.241 0.010 3 147 19 19 PHE HE1 H 7.347 0.010 3 148 19 19 PHE HE2 H 7.347 0.010 3 149 19 19 PHE HZ H 7.566 0.010 1 150 19 19 PHE C C 174.011 0.150 1 151 19 19 PHE CA C 56.965 0.150 1 152 19 19 PHE CB C 38.559 0.150 1 153 19 19 PHE CD1 C 129.192 0.150 3 154 19 19 PHE CD2 C 129.192 0.150 3 155 19 19 PHE CE1 C 129.817 0.150 3 156 19 19 PHE CE2 C 129.817 0.150 3 157 19 19 PHE N N 120.610 0.150 1 158 20 20 LEU H H 7.968 0.010 1 159 20 20 LEU HA H 4.292 0.010 1 160 20 20 LEU HB2 H 1.624 0.010 2 161 20 20 LEU HB3 H 1.575 0.010 2 162 20 20 LEU HG H 1.807 0.010 1 163 20 20 LEU HD1 H 0.675 0.010 2 164 20 20 LEU HD2 H 0.519 0.010 2 165 20 20 LEU C C 176.589 0.150 1 166 20 20 LEU CA C 54.376 0.150 1 167 20 20 LEU CB C 41.435 0.150 1 168 20 20 LEU CG C 26.192 0.150 1 169 20 20 LEU CD1 C 25.617 0.150 1 170 20 20 LEU CD2 C 26.480 0.150 1 171 20 20 LEU N N 123.540 0.150 1 172 21 21 ALA H H 8.068 0.010 1 173 21 21 ALA HA H 4.254 0.010 1 174 21 21 ALA HB H 1.395 0.010 1 175 21 21 ALA C C 176.958 0.150 1 176 21 21 ALA CA C 52.052 0.150 1 177 21 21 ALA CB C 18.479 0.150 1 178 21 21 ALA N N 124.484 0.150 1 179 22 22 ALA H H 8.040 0.010 1 180 22 22 ALA HA H 4.295 0.010 1 181 22 22 ALA HB H 1.396 0.010 1 182 22 22 ALA C C 176.867 0.150 1 183 22 22 ALA CA C 51.959 0.150 1 184 22 22 ALA CB C 18.523 0.150 1 185 22 22 ALA N N 122.474 0.150 1 186 23 23 MET H H 8.129 0.010 1 187 23 23 MET HA H 4.474 0.010 1 188 23 23 MET HB2 H 2.088 0.010 2 189 23 23 MET HB3 H 1.889 0.010 2 190 23 23 MET HG2 H 2.602 0.010 2 191 23 23 MET HG3 H 2.529 0.010 2 192 23 23 MET HE H 1.995 0.010 1 193 23 23 MET C C 175.271 0.150 1 194 23 23 MET CA C 54.936 0.150 1 195 23 23 MET CB C 32.638 0.150 1 196 23 23 MET CG C 31.405 0.150 1 197 23 23 MET CE C 21.402 0.150 1 198 23 23 MET N N 119.331 0.150 1 199 24 24 GLU H H 8.276 0.010 1 200 24 24 GLU HA H 4.592 0.010 1 201 24 24 GLU HB2 H 2.042 0.010 2 202 24 24 GLU HB3 H 1.903 0.010 2 203 24 24 GLU HG2 H 2.296 0.010 2 204 24 24 GLU HG3 H 2.292 0.010 2 205 24 24 GLU CA C 54.223 0.150 1 206 24 24 GLU CB C 29.079 0.150 1 207 24 24 GLU N N 123.385 0.150 1 208 25 25 PRO HA H 4.430 0.010 1 209 25 25 PRO HB2 H 2.289 0.010 2 210 25 25 PRO HB3 H 2.229 0.010 2 211 25 25 PRO HG2 H 2.018 0.010 2 212 25 25 PRO HG3 H 1.907 0.010 2 213 25 25 PRO HD2 H 3.803 0.010 2 214 25 25 PRO HD3 H 3.706 0.010 2 215 25 25 PRO C C 175.953 0.150 1 216 25 25 PRO CA C 62.350 0.150 1 217 25 25 PRO CB C 31.442 0.150 1 218 25 25 PRO CG C 26.964 0.150 1 219 25 25 PRO CD C 49.716 0.150 1 220 26 26 GLU H H 8.391 0.010 1 221 26 26 GLU HA H 4.562 0.010 1 222 26 26 GLU HB2 H 1.884 0.010 2 223 26 26 GLU HB3 H 1.884 0.010 2 224 26 26 GLU HG2 H 2.292 0.010 2 225 26 26 GLU HG3 H 2.292 0.010 2 226 26 26 GLU CA C 53.514 0.150 1 227 26 26 GLU CB C 29.356 0.150 1 228 26 26 GLU CG C 35.108 0.150 1 229 26 26 GLU N N 122.476 0.150 1 230 27 27 PRO HA H 4.409 0.010 1 231 27 27 PRO HB2 H 2.284 0.010 2 232 27 27 PRO HB3 H 2.024 0.010 2 233 27 27 PRO HG2 H 1.902 0.010 2 234 27 27 PRO HG3 H 2.037 0.010 2 235 27 27 PRO HD2 H 3.808 0.010 2 236 27 27 PRO HD3 H 3.676 0.010 2 237 27 27 PRO C C 175.645 0.150 1 238 27 27 PRO CA C 62.253 0.150 1 239 27 27 PRO CB C 31.431 0.150 1 240 27 27 PRO CG C 26.839 0.150 1 241 27 27 PRO CD C 49.634 0.150 1 242 28 28 ALA H H 8.326 0.010 1 243 28 28 ALA HA H 4.596 0.010 1 244 28 28 ALA HB H 1.360 0.010 1 245 28 28 ALA CA C 49.200 0.150 1 246 28 28 ALA CB C 17.277 0.150 1 247 28 28 ALA N N 125.771 0.150 1 248 29 29 PRO HA H 4.716 0.010 1 249 29 29 PRO HB2 H 2.381 0.010 2 250 29 29 PRO HB3 H 2.117 0.010 2 251 29 29 PRO HG2 H 1.942 0.010 2 252 29 29 PRO HG3 H 1.909 0.010 2 253 29 29 PRO HD2 H 3.571 0.010 2 254 29 29 PRO HD3 H 3.507 0.010 2 255 29 29 PRO C C 174.939 0.150 1 256 29 29 PRO CA C 61.983 0.150 1 257 29 29 PRO CB C 33.724 0.150 1 258 29 29 PRO CG C 24.440 0.150 1 259 29 29 PRO CD C 49.656 0.150 1 260 30 30 ALA H H 8.488 0.010 1 261 30 30 ALA HA H 4.477 0.010 1 262 30 30 ALA HB H 1.480 0.010 1 263 30 30 ALA CA C 51.501 0.150 1 264 30 30 ALA CB C 18.140 0.150 1 265 30 30 ALA N N 125.785 0.150 1 266 31 31 PRO HA H 4.425 0.010 1 267 31 31 PRO HB2 H 2.289 0.010 2 268 31 31 PRO HB3 H 2.026 0.010 2 269 31 31 PRO HG2 H 1.913 0.010 2 270 31 31 PRO HG3 H 2.030 0.010 2 271 31 31 PRO HD2 H 3.802 0.010 2 272 31 31 PRO HD3 H 3.647 0.010 2 273 31 31 PRO C C 175.684 0.150 1 274 31 31 PRO CA C 62.099 0.150 1 275 31 31 PRO CB C 31.411 0.150 1 276 31 31 PRO CG C 26.863 0.150 1 277 31 31 PRO CD C 49.585 0.150 1 278 32 32 ALA H H 8.379 0.010 1 279 32 32 ALA HA H 4.606 0.010 1 280 32 32 ALA HB H 1.369 0.010 1 281 32 32 ALA CA C 49.200 0.150 1 282 32 32 ALA CB C 17.277 0.150 1 283 32 32 ALA N N 125.850 0.150 1 284 33 33 PRO HA H 4.435 0.010 1 285 33 33 PRO HB2 H 2.328 0.010 2 286 33 33 PRO HB3 H 2.059 0.010 2 287 33 33 PRO HG2 H 1.948 0.010 2 288 33 33 PRO HG3 H 2.035 0.010 2 289 33 33 PRO C C 176.501 0.150 1 290 33 33 PRO CA C 62.444 0.150 1 291 33 33 PRO CB C 31.313 0.150 1 292 33 33 PRO CG C 26.634 0.150 1 293 34 34 GLU H H 8.501 0.010 1 294 34 34 GLU HA H 4.290 0.010 1 295 34 34 GLU HB2 H 1.947 0.010 2 296 34 34 GLU HB3 H 1.937 0.010 2 297 34 34 GLU HG2 H 2.266 0.010 2 298 34 34 GLU HG3 H 2.233 0.010 2 299 34 34 GLU C C 175.852 0.150 1 300 34 34 GLU CA C 55.527 0.150 1 301 34 34 GLU CB C 29.575 0.150 1 302 34 34 GLU CG C 35.771 0.150 1 303 34 34 GLU N N 120.561 0.150 1 304 35 35 GLU H H 8.413 0.010 1 305 35 35 GLU HA H 4.258 0.010 1 306 35 35 GLU HB2 H 2.065 0.010 2 307 35 35 GLU HB3 H 2.052 0.010 2 308 35 35 GLU HG2 H 2.229 0.010 2 309 35 35 GLU HG3 H 2.218 0.010 2 310 35 35 GLU C C 175.219 0.150 1 311 35 35 GLU CA C 56.001 0.150 1 312 35 35 GLU CB C 29.749 0.150 1 313 35 35 GLU CG C 35.745 0.150 1 314 35 35 GLU N N 121.718 0.150 1 315 36 36 TRP H H 8.257 0.010 1 316 36 36 TRP HA H 4.702 0.010 1 317 36 36 TRP HB2 H 3.059 0.010 2 318 36 36 TRP HB3 H 2.868 0.010 2 319 36 36 TRP HD1 H 7.278 0.010 1 320 36 36 TRP HE1 H 10.082 0.010 1 321 36 36 TRP HE3 H 7.221 0.010 1 322 36 36 TRP HZ2 H 7.446 0.010 1 323 36 36 TRP HZ3 H 6.970 0.010 1 324 36 36 TRP HH2 H 7.024 0.010 1 325 36 36 TRP C C 175.298 0.150 1 326 36 36 TRP CA C 55.527 0.150 1 327 36 36 TRP CB C 29.931 0.150 1 328 36 36 TRP CD1 C 124.817 0.150 1 329 36 36 TRP CE3 C 118.255 0.150 1 330 36 36 TRP CZ2 C 112.005 0.150 1 331 36 36 TRP CZ3 C 122.005 0.150 1 332 36 36 TRP CH2 C 121.962 0.150 1 333 36 36 TRP N N 120.055 0.150 1 334 36 36 TRP NE1 N 129.431 0.150 1 335 37 37 LEU H H 9.584 0.010 1 336 37 37 LEU HA H 4.590 0.010 1 337 37 37 LEU HB2 H 1.934 0.010 2 338 37 37 LEU HB3 H 1.724 0.010 2 339 37 37 LEU HG H 1.483 0.010 1 340 37 37 LEU HD1 H 0.996 0.010 2 341 37 37 LEU HD2 H 0.986 0.010 2 342 37 37 LEU C C 175.378 0.150 1 343 37 37 LEU CA C 55.080 0.150 1 344 37 37 LEU CB C 42.873 0.150 1 345 37 37 LEU CG C 26.480 0.150 1 346 37 37 LEU CD1 C 23.029 0.150 1 347 37 37 LEU CD2 C 21.016 0.150 1 348 37 37 LEU N N 126.102 0.150 1 349 38 38 ASP H H 8.983 0.010 1 350 38 38 ASP HA H 4.770 0.010 1 351 38 38 ASP HB2 H 2.620 0.010 2 352 38 38 ASP HB3 H 2.576 0.010 2 353 38 38 ASP C C 176.016 0.150 1 354 38 38 ASP CA C 52.363 0.150 1 355 38 38 ASP CB C 38.846 0.150 1 356 38 38 ASP N N 127.559 0.150 1 357 39 39 ILE H H 8.302 0.010 1 358 39 39 ILE HA H 3.463 0.010 1 359 39 39 ILE HB H 1.634 0.010 1 360 39 39 ILE HG13 H 0.993 0.010 1 361 39 39 ILE HG12 H 1.812 0.010 1 362 39 39 ILE HG2 H 0.789 0.010 1 363 39 39 ILE HD1 H 0.756 0.010 1 364 39 39 ILE C C 176.290 0.150 1 365 39 39 ILE CA C 65.880 0.150 1 366 39 39 ILE CB C 36.833 0.150 1 367 39 39 ILE CG1 C 28.206 0.150 1 368 39 39 ILE CG2 C 15.552 0.150 1 369 39 39 ILE CD1 C 12.388 0.150 1 370 39 39 ILE N N 124.753 0.150 1 371 40 40 LEU H H 8.640 0.010 1 372 40 40 LEU HA H 4.617 0.010 1 373 40 40 LEU HB2 H 1.827 0.010 2 374 40 40 LEU HB3 H 1.610 0.010 2 375 40 40 LEU HG H 1.347 0.010 1 376 40 40 LEU HD1 H 0.810 0.010 2 377 40 40 LEU HD2 H 0.593 0.010 2 378 40 40 LEU C C 177.531 0.150 1 379 40 40 LEU CA C 52.938 0.150 1 380 40 40 LEU CB C 41.147 0.150 1 381 40 40 LEU CG C 26.192 0.150 1 382 40 40 LEU CD1 C 21.303 0.150 1 383 40 40 LEU CD2 C 25.330 0.150 1 384 40 40 LEU N N 114.781 0.150 1 385 41 41 GLY H H 7.581 0.010 1 386 41 41 GLY HA2 H 4.133 0.010 2 387 41 41 GLY HA3 H 3.593 0.010 2 388 41 41 GLY C C 172.361 0.150 1 389 41 41 GLY CA C 45.173 0.150 1 390 41 41 GLY N N 108.234 0.150 1 391 42 42 ASN H H 7.087 0.010 1 392 42 42 ASN HA H 4.877 0.010 1 393 42 42 ASN HB2 H 3.304 0.010 2 394 42 42 ASN HB3 H 2.766 0.010 2 395 42 42 ASN HD21 H 6.491 0.010 2 396 42 42 ASN HD22 H 7.848 0.010 2 397 42 42 ASN C C 175.747 0.150 1 398 42 42 ASN CA C 50.063 0.150 1 399 42 42 ASN CB C 37.984 0.150 1 400 42 42 ASN N N 114.060 0.150 1 401 42 42 ASN ND2 N 110.410 0.150 1 402 43 43 GLY H H 9.896 0.010 1 403 43 43 GLY HA2 H 4.094 0.010 2 404 43 43 GLY HA3 H 3.487 0.010 2 405 43 43 GLY C C 174.045 0.150 1 406 43 43 GLY CA C 44.598 0.150 1 407 43 43 GLY N N 111.384 0.150 1 408 44 44 LEU H H 7.661 0.010 1 409 44 44 LEU HA H 4.390 0.010 1 410 44 44 LEU HB2 H 1.936 0.010 2 411 44 44 LEU HB3 H 1.688 0.010 2 412 44 44 LEU HG H 1.590 0.010 1 413 44 44 LEU HD1 H 0.937 0.010 2 414 44 44 LEU HD2 H 0.835 0.010 2 415 44 44 LEU C C 175.313 0.150 1 416 44 44 LEU CA C 55.527 0.150 1 417 44 44 LEU CB C 42.585 0.150 1 418 44 44 LEU CG C 25.905 0.150 1 419 44 44 LEU CD1 C 24.755 0.150 1 420 44 44 LEU CD2 C 20.728 0.150 1 421 44 44 LEU N N 117.588 0.150 1 422 45 45 LEU H H 8.366 0.010 1 423 45 45 LEU HA H 5.220 0.010 1 424 45 45 LEU HB2 H 1.707 0.010 2 425 45 45 LEU HB3 H 0.840 0.010 2 426 45 45 LEU HG H 1.280 0.010 1 427 45 45 LEU HD1 H 0.797 0.010 2 428 45 45 LEU HD2 H 0.517 0.010 2 429 45 45 LEU C C 174.014 0.150 1 430 45 45 LEU CA C 53.514 0.150 1 431 45 45 LEU CB C 42.585 0.150 1 432 45 45 LEU CG C 26.768 0.150 1 433 45 45 LEU CD1 C 24.467 0.150 1 434 45 45 LEU CD2 C 26.192 0.150 1 435 45 45 LEU N N 123.929 0.150 1 436 46 46 ARG H H 8.824 0.010 1 437 46 46 ARG HA H 5.932 0.010 1 438 46 46 ARG HB2 H 1.818 0.010 2 439 46 46 ARG HB3 H 1.780 0.010 2 440 46 46 ARG HG2 H 1.354 0.010 2 441 46 46 ARG HG3 H 1.330 0.010 2 442 46 46 ARG HD2 H 2.778 0.010 2 443 46 46 ARG HD3 H 2.778 0.010 2 444 46 46 ARG HE H 7.227 0.010 1 445 46 46 ARG HH11 H 7.018 0.010 1 446 46 46 ARG HH12 H 7.018 0.010 1 447 46 46 ARG HH21 H 7.018 0.010 1 448 46 46 ARG HH22 H 7.018 0.010 1 449 46 46 ARG C C 174.027 0.150 1 450 46 46 ARG CA C 53.801 0.150 1 451 46 46 ARG CB C 34.245 0.150 1 452 46 46 ARG CG C 25.905 0.150 1 453 46 46 ARG CD C 43.160 0.150 1 454 46 46 ARG N N 125.411 0.150 1 455 47 47 LYS H H 9.026 0.010 1 456 47 47 LYS HA H 5.938 0.010 1 457 47 47 LYS HB2 H 1.797 0.010 2 458 47 47 LYS HB3 H 1.775 0.010 2 459 47 47 LYS HG2 H 1.383 0.010 2 460 47 47 LYS HG3 H 1.383 0.010 2 461 47 47 LYS HD2 H 1.805 0.010 2 462 47 47 LYS HD3 H 1.461 0.010 2 463 47 47 LYS HE2 H 2.590 0.010 2 464 47 47 LYS HE3 H 2.590 0.010 2 465 47 47 LYS C C 173.553 0.150 1 466 47 47 LYS CA C 53.514 0.150 1 467 47 47 LYS CB C 36.258 0.150 1 468 47 47 LYS CG C 24.179 0.150 1 469 47 47 LYS CD C 28.206 0.150 1 470 47 47 LYS CE C 40.608 0.150 1 471 47 47 LYS N N 120.867 0.150 1 472 48 48 LYS H H 9.525 0.010 1 473 48 48 LYS HA H 4.675 0.010 1 474 48 48 LYS HE3 H 2.319 0.010 2 475 48 48 LYS C C 174.707 0.150 1 476 48 48 LYS CA C 53.998 0.150 1 477 48 48 LYS CB C 34.089 0.150 1 478 48 48 LYS CG C 23.897 0.150 1 479 48 48 LYS CD C 28.518 0.150 1 480 48 48 LYS CE C 41.532 0.150 1 481 48 48 LYS N N 129.557 0.150 1 482 49 49 THR H H 9.118 0.010 1 483 49 49 THR HA H 3.983 0.010 1 484 49 49 THR HB H 3.825 0.010 1 485 49 49 THR HG2 H 1.050 0.010 1 486 49 49 THR C C 172.760 0.150 1 487 49 49 THR CA C 64.442 0.150 1 488 49 49 THR CB C 67.893 0.150 1 489 49 49 THR CG2 C 21.303 0.150 1 490 49 49 THR N N 125.450 0.150 1 491 50 50 LEU H H 9.133 0.010 1 492 50 50 LEU HA H 4.465 0.010 1 493 50 50 LEU HB2 H 1.543 0.010 2 494 50 50 LEU HB3 H 1.462 0.010 2 495 50 50 LEU HG H 1.611 0.010 1 496 50 50 LEU HD1 H 0.835 0.010 2 497 50 50 LEU HD2 H 0.749 0.010 2 498 50 50 LEU C C 176.626 0.150 1 499 50 50 LEU CA C 54.376 0.150 1 500 50 50 LEU CB C 41.722 0.150 1 501 50 50 LEU CG C 26.192 0.150 1 502 50 50 LEU CD1 C 24.467 0.150 1 503 50 50 LEU CD2 C 21.303 0.150 1 504 50 50 LEU N N 128.299 0.150 1 505 51 51 VAL H H 8.149 0.010 1 506 51 51 VAL HA H 4.490 0.010 1 507 51 51 VAL HB H 2.069 0.010 1 508 51 51 VAL HG1 H 1.064 0.010 2 509 51 51 VAL HG2 H 0.909 0.010 2 510 51 51 VAL CA C 58.403 0.150 1 511 51 51 VAL CB C 35.108 0.150 1 512 51 51 VAL CG1 C 19.578 0.150 1 513 51 51 VAL CG2 C 19.003 0.150 1 514 51 51 VAL N N 119.761 0.150 1 515 52 52 PRO HA H 4.414 0.010 1 516 52 52 PRO HB2 H 2.302 0.010 2 517 52 52 PRO HB3 H 1.911 0.010 2 518 52 52 PRO HG2 H 2.033 0.010 2 519 52 52 PRO HG3 H 1.722 0.010 2 520 52 52 PRO HD2 H 3.815 0.010 2 521 52 52 PRO HD3 H 3.658 0.010 2 522 52 52 PRO C C 176.895 0.150 1 523 52 52 PRO CA C 61.854 0.150 1 524 52 52 PRO CB C 31.082 0.150 1 525 52 52 PRO CG C 27.055 0.150 1 526 52 52 PRO CD C 50.000 0.150 1 527 53 53 GLY H H 9.205 0.010 1 528 53 53 GLY HA2 H 4.024 0.010 2 529 53 53 GLY HA3 H 3.422 0.010 2 530 53 53 GLY CA C 42.873 0.150 1 531 53 53 GLY N N 107.120 0.150 1 532 55 55 PRO HA H 4.429 0.010 1 533 55 55 PRO HB2 H 2.319 0.010 2 534 55 55 PRO HB3 H 2.032 0.010 2 535 55 55 PRO HG2 H 1.953 0.010 2 536 55 55 PRO HG3 H 1.950 0.010 2 537 55 55 PRO HD2 H 3.803 0.010 2 538 55 55 PRO HD3 H 3.693 0.010 2 539 55 55 PRO C C 177.550 0.150 1 540 55 55 PRO CA C 63.412 0.150 1 541 55 55 PRO CB C 30.548 0.150 1 542 56 56 GLY H H 8.843 0.010 1 543 56 56 GLY HA2 H 4.173 0.010 2 544 56 56 GLY HA3 H 3.741 0.010 2 545 56 56 GLY C C 174.108 0.150 1 546 56 56 GLY CA C 44.311 0.150 1 547 56 56 GLY N N 112.300 0.150 1 548 57 57 SER H H 7.814 0.010 1 549 57 57 SER HA H 4.345 0.010 1 550 57 57 SER HB2 H 4.056 0.010 2 551 57 57 SER HB3 H 3.974 0.010 2 552 57 57 SER C C 173.093 0.150 1 553 57 57 SER CA C 57.540 0.150 1 554 57 57 SER CB C 63.292 0.150 1 555 57 57 SER N N 115.807 0.150 1 556 58 58 SER H H 8.202 0.010 1 557 58 58 SER HA H 4.769 0.010 1 558 58 58 SER HB2 H 3.870 0.010 2 559 58 58 SER HB3 H 3.809 0.010 2 560 58 58 SER C C 172.236 0.150 1 561 58 58 SER CA C 56.390 0.150 1 562 58 58 SER CB C 64.442 0.150 1 563 58 58 SER N N 115.965 0.150 1 564 59 59 ARG H H 8.022 0.010 1 565 59 59 ARG HA H 5.200 0.010 1 566 59 59 ARG HB2 H 1.922 0.010 2 567 59 59 ARG HB3 H 1.546 0.010 2 568 59 59 ARG HG2 H 1.772 0.010 2 569 59 59 ARG HG3 H 1.581 0.010 2 570 59 59 ARG HD2 H 3.202 0.010 2 571 59 59 ARG HD3 H 3.064 0.010 2 572 59 59 ARG CA C 52.651 0.150 1 573 59 59 ARG CB C 29.356 0.150 1 574 59 59 ARG CG C 26.192 0.150 1 575 59 59 ARG CD C 43.160 0.150 1 576 59 59 ARG N N 120.796 0.150 1 577 60 60 PRO HA H 4.945 0.010 1 578 60 60 PRO HB2 H 1.989 0.010 2 579 60 60 PRO HB3 H 1.989 0.010 2 580 60 60 PRO HG2 H 1.967 0.010 2 581 60 60 PRO HG3 H 1.876 0.010 2 582 60 60 PRO HD2 H 3.585 0.010 2 583 60 60 PRO HD3 H 3.528 0.010 2 584 60 60 PRO C C 173.742 0.150 1 585 60 60 PRO CA C 61.566 0.150 1 586 60 60 PRO CB C 32.807 0.150 1 587 61 61 VAL H H 7.928 0.010 1 588 61 61 VAL HA H 4.401 0.010 1 589 61 61 VAL HB H 1.988 0.010 1 590 61 61 VAL HG1 H 0.935 0.010 2 591 61 61 VAL HG2 H 0.810 0.010 2 592 61 61 VAL C C 174.562 0.150 1 593 61 61 VAL CA C 58.115 0.150 1 594 61 61 VAL CB C 34.245 0.150 1 595 61 61 VAL CG1 C 20.441 0.150 1 596 61 61 VAL CG2 C 19.003 0.150 1 597 61 61 VAL N N 113.926 0.150 1 598 62 62 LYS H H 8.248 0.010 1 599 62 62 LYS HA H 3.612 0.010 1 600 62 62 LYS HB2 H 1.834 0.010 2 601 62 62 LYS HB3 H 1.706 0.010 2 602 62 62 LYS HG2 H 1.526 0.010 2 603 62 62 LYS HG3 H 1.332 0.010 2 604 62 62 LYS HD2 H 1.760 0.010 2 605 62 62 LYS HD3 H 1.702 0.010 2 606 62 62 LYS HE2 H 3.041 0.010 2 607 62 62 LYS HE3 H 3.041 0.010 2 608 62 62 LYS C C 176.391 0.150 1 609 62 62 LYS CA C 58.115 0.150 1 610 62 62 LYS CB C 31.657 0.150 1 611 62 62 LYS CG C 24.515 0.150 1 612 62 62 LYS CD C 28.206 0.150 1 613 62 62 LYS CE C 41.147 0.150 1 614 62 62 LYS N N 122.155 0.150 1 615 63 63 GLY H H 8.741 0.010 1 616 63 63 GLY HA2 H 4.428 0.010 2 617 63 63 GLY HA3 H 3.518 0.010 2 618 63 63 GLY C C 174.333 0.150 1 619 63 63 GLY CA C 43.736 0.150 1 620 63 63 GLY N N 113.838 0.150 1 621 64 64 GLN H H 8.068 0.010 1 622 64 64 GLN HA H 4.474 0.010 1 623 64 64 GLN HB2 H 2.217 0.010 2 624 64 64 GLN HB3 H 1.628 0.010 2 625 64 64 GLN HG2 H 2.472 0.010 2 626 64 64 GLN HG3 H 2.143 0.010 2 627 64 64 GLN HE21 H 6.331 0.010 2 628 64 64 GLN HE22 H 7.293 0.010 2 629 64 64 GLN C C 174.036 0.150 1 630 64 64 GLN CA C 56.102 0.150 1 631 64 64 GLN CB C 28.979 0.150 1 632 64 64 GLN CG C 35.683 0.150 1 633 64 64 GLN N N 118.234 0.150 1 634 64 64 GLN NE2 N 110.175 0.150 1 635 65 65 VAL H H 8.817 0.010 1 636 65 65 VAL HA H 4.265 0.010 1 637 65 65 VAL HB H 1.728 0.010 1 638 65 65 VAL HG1 H 0.836 0.010 2 639 65 65 VAL HG2 H 0.465 0.010 2 640 65 65 VAL C C 176.485 0.150 1 641 65 65 VAL CA C 61.279 0.150 1 642 65 65 VAL CB C 30.794 0.150 1 643 65 65 VAL CG1 C 21.016 0.150 1 644 65 65 VAL CG2 C 20.153 0.150 1 645 65 65 VAL N N 121.431 0.150 1 646 66 66 VAL H H 9.134 0.010 1 647 66 66 VAL HA H 5.080 0.010 1 648 66 66 VAL HB H 1.694 0.010 1 649 66 66 VAL HG1 H 0.679 0.010 2 650 66 66 VAL HG2 H 0.027 0.010 2 651 66 66 VAL C C 172.734 0.150 1 652 66 66 VAL CA C 57.252 0.150 1 653 66 66 VAL CB C 32.519 0.150 1 654 66 66 VAL CG1 C 21.303 0.150 1 655 66 66 VAL CG2 C 17.852 0.150 1 656 66 66 VAL N N 124.881 0.150 1 657 67 67 THR H H 7.833 0.010 1 658 67 67 THR HA H 5.323 0.010 1 659 67 67 THR HB H 3.990 0.010 1 660 67 67 THR HG2 H 1.066 0.010 1 661 67 67 THR C C 174.281 0.150 1 662 67 67 THR CA C 60.128 0.150 1 663 67 67 THR CB C 69.044 0.150 1 664 67 67 THR CG2 C 19.865 0.150 1 665 67 67 THR N N 114.892 0.150 1 666 68 68 VAL H H 9.585 0.010 1 667 68 68 VAL HA H 5.593 0.010 1 668 68 68 VAL HB H 2.228 0.010 1 669 68 68 VAL HG1 H 1.096 0.010 2 670 68 68 VAL HG2 H 0.960 0.010 2 671 68 68 VAL C C 173.109 0.150 1 672 68 68 VAL CA C 56.677 0.150 1 673 68 68 VAL CB C 34.245 0.150 1 674 68 68 VAL CG1 C 19.865 0.150 1 675 68 68 VAL CG2 C 20.728 0.150 1 676 68 68 VAL N N 119.533 0.150 1 677 69 69 HIS H H 8.745 0.010 1 678 69 69 HIS HA H 5.387 0.010 1 679 69 69 HIS HB2 H 3.185 0.010 2 680 69 69 HIS HB3 H 3.090 0.010 2 681 69 69 HIS HD2 H 6.909 0.010 1 682 69 69 HIS HE1 H 7.782 0.010 1 683 69 69 HIS C C 174.189 0.150 1 684 69 69 HIS CA C 53.226 0.150 1 685 69 69 HIS CB C 32.807 0.150 1 686 69 69 HIS CD2 C 114.818 0.150 1 687 69 69 HIS CE1 C 135.441 0.150 1 688 69 69 HIS N N 121.518 0.150 1 689 70 70 LEU H H 9.004 0.010 1 690 70 70 LEU HA H 5.380 0.010 1 691 70 70 LEU HB2 H 1.895 0.010 2 692 70 70 LEU HB3 H 1.234 0.010 2 693 70 70 LEU HG H 1.493 0.010 1 694 70 70 LEU HD1 H 0.945 0.010 2 695 70 70 LEU HD2 H 0.799 0.010 2 696 70 70 LEU C C 174.209 0.150 1 697 70 70 LEU CA C 52.363 0.150 1 698 70 70 LEU CB C 46.324 0.150 1 699 70 70 LEU CG C 26.768 0.150 1 700 70 70 LEU CD1 C 24.460 0.150 1 701 70 70 LEU CD2 C 25.617 0.150 1 702 70 70 LEU N N 129.680 0.150 1 703 71 71 GLN H H 9.052 0.010 1 704 71 71 GLN HA H 5.057 0.010 1 705 71 71 GLN HB2 H 2.133 0.010 2 706 71 71 GLN HB3 H 2.069 0.010 2 707 71 71 GLN HG2 H 2.337 0.010 2 708 71 71 GLN HG3 H 2.189 0.010 2 709 71 71 GLN HE21 H 7.481 0.010 2 710 71 71 GLN HE22 H 6.657 0.010 2 711 71 71 GLN C C 174.094 0.150 1 712 71 71 GLN CA C 54.664 0.150 1 713 71 71 GLN CB C 31.369 0.150 1 714 71 71 GLN CG C 33.957 0.150 1 715 71 71 GLN N N 126.289 0.150 1 716 71 71 GLN NE2 N 111.131 0.150 1 717 72 72 THR H H 9.122 0.010 1 718 72 72 THR HA H 4.910 0.010 1 719 72 72 THR HB H 4.024 0.010 1 720 72 72 THR HG2 H 1.179 0.010 1 721 72 72 THR C C 173.477 0.150 1 722 72 72 THR CA C 61.566 0.150 1 723 72 72 THR CB C 68.756 0.150 1 724 72 72 THR CG2 C 22.741 0.150 1 725 72 72 THR N N 123.639 0.150 1 726 73 73 SER H H 9.196 0.010 1 727 73 73 SER HA H 5.546 0.010 1 728 73 73 SER HB2 H 3.723 0.010 2 729 73 73 SER HB3 H 3.723 0.010 2 730 73 73 SER C C 172.480 0.150 1 731 73 73 SER CA C 56.102 0.150 1 732 73 73 SER CB C 65.017 0.150 1 733 73 73 SER N N 122.961 0.150 1 734 74 74 LEU H H 8.643 0.010 1 735 74 74 LEU HA H 4.733 0.010 1 736 74 74 LEU HB2 H 1.991 0.010 2 737 74 74 LEU HB3 H 1.908 0.010 2 738 74 74 LEU HG H 1.736 0.010 1 739 74 74 LEU HD1 H 1.177 0.010 2 740 74 74 LEU HD2 H 0.844 0.010 2 741 74 74 LEU C C 178.427 0.150 1 742 74 74 LEU CA C 53.801 0.150 1 743 74 74 LEU CB C 40.860 0.150 1 744 74 74 LEU CG C 26.213 0.150 1 745 74 74 LEU CD1 C 22.741 0.150 1 746 74 74 LEU CD2 C 21.879 0.150 1 747 74 74 LEU N N 119.494 0.150 1 748 75 75 GLU H H 8.685 0.010 1 749 75 75 GLU HA H 3.982 0.010 1 750 75 75 GLU HB2 H 2.047 0.010 2 751 75 75 GLU HB3 H 2.037 0.010 2 752 75 75 GLU HG2 H 2.255 0.010 2 753 75 75 GLU HG3 H 2.237 0.010 2 754 75 75 GLU C C 172.267 0.150 1 755 75 75 GLU CA C 58.403 0.150 1 756 75 75 GLU CB C 28.781 0.150 1 757 75 75 GLU CG C 35.395 0.150 1 758 75 75 GLU N N 121.594 0.150 1 759 76 76 ASN H H 7.714 0.010 1 760 76 76 ASN HA H 4.573 0.010 1 761 76 76 ASN HB2 H 3.320 0.010 2 762 76 76 ASN HB3 H 2.874 0.010 2 763 76 76 ASN HD21 H 6.851 0.010 2 764 76 76 ASN HD22 H 7.639 0.010 2 765 76 76 ASN C C 175.791 0.150 1 766 76 76 ASN CA C 51.788 0.150 1 767 76 76 ASN CB C 36.258 0.150 1 768 76 76 ASN N N 113.357 0.150 1 769 76 76 ASN ND2 N 110.645 0.150 1 770 77 77 GLY H H 8.204 0.010 1 771 77 77 GLY HA2 H 4.405 0.010 2 772 77 77 GLY HA3 H 3.752 0.010 2 773 77 77 GLY C C 174.375 0.150 1 774 77 77 GLY CA C 43.736 0.150 1 775 77 77 GLY N N 108.136 0.150 1 776 78 78 THR H H 7.768 0.010 1 777 78 78 THR HA H 4.058 0.010 1 778 78 78 THR HB H 4.060 0.010 1 779 78 78 THR HG2 H 1.237 0.010 1 780 78 78 THR C C 173.207 0.150 1 781 78 78 THR CA C 63.004 0.150 1 782 78 78 THR CB C 68.468 0.150 1 783 78 78 THR CG2 C 19.865 0.150 1 784 78 78 THR N N 117.968 0.150 1 785 79 79 ARG H H 8.925 0.010 1 786 79 79 ARG HA H 4.507 0.010 1 787 79 79 ARG HB2 H 1.884 0.010 2 788 79 79 ARG HB3 H 1.884 0.010 2 789 79 79 ARG HG2 H 1.707 0.010 2 790 79 79 ARG HG3 H 1.658 0.010 2 791 79 79 ARG HD2 H 3.240 0.010 2 792 79 79 ARG HD3 H 3.237 0.010 2 793 79 79 ARG HE H 7.197 0.010 1 794 79 79 ARG HH11 H 6.800 0.010 1 795 79 79 ARG HH12 H 6.800 0.010 1 796 79 79 ARG HH21 H 6.543 0.010 1 797 79 79 ARG HH22 H 6.543 0.010 1 798 79 79 ARG C C 175.918 0.150 1 799 79 79 ARG CA C 56.102 0.150 1 800 79 79 ARG CB C 29.356 0.150 1 801 79 79 ARG CG C 26.462 0.150 1 802 79 79 ARG CD C 42.010 0.150 1 803 79 79 ARG N N 129.642 0.150 1 804 80 80 VAL H H 8.904 0.010 1 805 80 80 VAL HA H 4.421 0.010 1 806 80 80 VAL HB H 2.007 0.010 1 807 80 80 VAL HG1 H 0.972 0.010 2 808 80 80 VAL HG2 H 0.799 0.010 2 809 80 80 VAL C C 174.940 0.150 1 810 80 80 VAL CA C 61.854 0.150 1 811 80 80 VAL CB C 32.519 0.150 1 812 80 80 VAL CG1 C 20.153 0.150 1 813 80 80 VAL CG2 C 18.715 0.150 1 814 80 80 VAL N N 121.780 0.150 1 815 81 81 GLN H H 7.783 0.010 1 816 81 81 GLN HA H 4.658 0.010 1 817 81 81 GLN HB2 H 2.100 0.010 2 818 81 81 GLN HB3 H 1.952 0.010 2 819 81 81 GLN HG2 H 2.389 0.010 2 820 81 81 GLN HG3 H 2.180 0.010 2 821 81 81 GLN HE21 H 7.685 0.010 2 822 81 81 GLN HE22 H 6.703 0.010 2 823 81 81 GLN C C 172.592 0.150 1 824 81 81 GLN CA C 55.406 0.150 1 825 81 81 GLN CB C 31.286 0.150 1 826 81 81 GLN CG C 33.095 0.150 1 827 81 81 GLN N N 118.140 0.150 1 828 81 81 GLN NE2 N 110.997 0.150 1 829 82 82 GLU H H 8.707 0.010 1 830 82 82 GLU HA H 5.057 0.010 1 831 82 82 GLU HB2 H 2.113 0.010 2 832 82 82 GLU HB3 H 2.069 0.010 2 833 82 82 GLU HG2 H 2.202 0.010 2 834 82 82 GLU HG3 H 2.061 0.010 2 835 82 82 GLU C C 173.870 0.150 1 836 82 82 GLU CA C 54.664 0.150 1 837 82 82 GLU CB C 31.369 0.150 1 838 82 82 GLU CG C 35.395 0.150 1 839 82 82 GLU N N 125.812 0.150 1 840 83 83 GLU H H 9.069 0.010 1 841 83 83 GLU HA H 5.025 0.010 1 842 83 83 GLU HB2 H 2.062 0.010 2 843 83 83 GLU HB3 H 1.920 0.010 2 844 83 83 GLU HG2 H 2.184 0.010 2 845 83 83 GLU HG3 H 2.184 0.010 2 846 83 83 GLU CA C 51.213 0.150 1 847 83 83 GLU CB C 31.369 0.150 1 848 83 83 GLU CG C 34.533 0.150 1 849 83 83 GLU N N 125.894 0.150 1 850 84 84 PRO HA H 4.415 0.010 1 851 84 84 PRO HB2 H 2.302 0.010 2 852 84 84 PRO HB3 H 1.911 0.010 2 853 84 84 PRO HG2 H 2.029 0.010 2 854 84 84 PRO HG3 H 2.029 0.010 2 855 84 84 PRO HD2 H 3.808 0.010 2 856 84 84 PRO HD3 H 3.660 0.010 2 857 84 84 PRO C C 175.096 0.150 1 858 84 84 PRO CA C 62.141 0.150 1 859 84 84 PRO CB C 31.082 0.150 1 860 84 84 PRO CG C 26.480 0.150 1 861 84 84 PRO CD C 49.775 0.150 1 862 85 85 GLU H H 8.303 0.010 1 863 85 85 GLU HA H 4.392 0.010 1 864 85 85 GLU HB2 H 1.962 0.010 2 865 85 85 GLU HB3 H 1.742 0.010 2 866 85 85 GLU HG2 H 2.047 0.010 2 867 85 85 GLU HG3 H 2.047 0.010 2 868 85 85 GLU C C 173.259 0.150 1 869 85 85 GLU CA C 54.089 0.150 1 870 85 85 GLU CB C 29.931 0.150 1 871 85 85 GLU CG C 35.971 0.150 1 872 85 85 GLU N N 118.640 0.150 1 873 86 86 LEU H H 8.819 0.010 1 874 86 86 LEU HA H 4.606 0.010 1 875 86 86 LEU HB2 H 2.042 0.010 2 876 86 86 LEU HB3 H 1.307 0.010 2 877 86 86 LEU HG H 1.614 0.010 1 878 86 86 LEU HD1 H 0.955 0.010 2 879 86 86 LEU HD2 H 0.791 0.010 2 880 86 86 LEU C C 173.954 0.150 1 881 86 86 LEU CA C 54.664 0.150 1 882 86 86 LEU CB C 41.435 0.150 1 883 86 86 LEU CG C 26.768 0.150 1 884 86 86 LEU CD1 C 22.454 0.150 1 885 86 86 LEU CD2 C 21.591 0.150 1 886 86 86 LEU N N 128.258 0.150 1 887 87 87 VAL H H 8.345 0.010 1 888 87 87 VAL HA H 5.328 0.010 1 889 87 87 VAL HB H 1.889 0.010 1 890 87 87 VAL HG1 H 0.986 0.010 2 891 87 87 VAL HG2 H 0.733 0.010 2 892 87 87 VAL C C 175.847 0.150 1 893 87 87 VAL CA C 59.841 0.150 1 894 87 87 VAL CB C 32.807 0.150 1 895 87 87 VAL CG1 C 20.441 0.150 1 896 87 87 VAL CG2 C 20.153 0.150 2 897 87 87 VAL N N 128.637 0.150 1 898 88 88 PHE H H 8.889 0.010 1 899 88 88 PHE HA H 4.982 0.010 1 900 88 88 PHE HB2 H 3.146 0.010 2 901 88 88 PHE HB3 H 3.134 0.010 2 902 88 88 PHE HD1 H 6.952 0.010 3 903 88 88 PHE HD2 H 6.952 0.010 3 904 88 88 PHE HE1 H 7.165 0.010 3 905 88 88 PHE HE2 H 7.165 0.010 3 906 88 88 PHE HZ H 6.839 0.010 1 907 88 88 PHE C C 171.815 0.150 1 908 88 88 PHE CA C 54.952 0.150 1 909 88 88 PHE CB C 39.997 0.150 1 910 88 88 PHE CD1 C 131.067 0.150 3 911 88 88 PHE CD2 C 131.067 0.150 3 912 88 88 PHE CE1 C 127.942 0.150 3 913 88 88 PHE CE2 C 127.942 0.150 3 914 88 88 PHE CZ C 125.442 0.150 1 915 88 88 PHE N N 122.844 0.150 1 916 89 89 THR H H 9.131 0.010 1 917 89 89 THR HA H 4.593 0.010 1 918 89 89 THR HB H 4.141 0.010 1 919 89 89 THR HG2 H 0.983 0.010 1 920 89 89 THR C C 174.691 0.150 1 921 89 89 THR CA C 62.141 0.150 1 922 89 89 THR CB C 67.318 0.150 1 923 89 89 THR CG2 C 21.016 0.150 1 924 89 89 THR N N 117.968 0.150 1 925 90 90 LEU H H 8.969 0.010 1 926 90 90 LEU HA H 4.357 0.010 1 927 90 90 LEU HB2 H 1.959 0.010 2 928 90 90 LEU HB3 H 1.462 0.010 2 929 90 90 LEU HG H 1.574 0.010 1 930 90 90 LEU HD1 H 1.058 0.010 2 931 90 90 LEU HD2 H 0.749 0.010 2 932 90 90 LEU C C 177.600 0.150 1 933 90 90 LEU CA C 55.527 0.150 1 934 90 90 LEU CB C 41.722 0.150 1 935 90 90 LEU CG C 25.330 0.150 1 936 90 90 LEU CD1 C 24.179 0.150 1 937 90 90 LEU CD2 C 24.755 0.150 1 938 90 90 LEU N N 131.322 0.150 1 939 91 91 GLY H H 10.634 0.010 1 940 91 91 GLY HA2 H 4.267 0.010 2 941 91 91 GLY HA3 H 3.925 0.010 2 942 91 91 GLY C C 173.658 0.150 1 943 91 91 GLY CA C 45.173 0.150 1 944 91 91 GLY N N 119.930 0.150 1 945 92 92 ASP H H 7.824 0.010 1 946 92 92 ASP HA H 4.848 0.010 1 947 92 92 ASP HB2 H 2.893 0.010 2 948 92 92 ASP HB3 H 2.700 0.010 2 949 92 92 ASP C C 175.041 0.150 1 950 92 92 ASP CA C 53.514 0.150 1 951 92 92 ASP CB C 39.997 0.150 1 952 92 92 ASP N N 121.418 0.150 1 953 93 93 CYS H H 8.944 0.010 1 954 93 93 CYS HA H 4.273 0.010 1 955 93 93 CYS HB2 H 3.234 0.010 2 956 93 93 CYS HB3 H 3.196 0.010 2 957 93 93 CYS C C 174.015 0.150 1 958 93 93 CYS CA C 58.403 0.150 1 959 93 93 CYS CB C 25.617 0.150 1 960 93 93 CYS N N 117.179 0.150 1 961 94 94 ASP H H 9.095 0.010 1 962 94 94 ASP HA H 4.673 0.010 1 963 94 94 ASP HB2 H 2.810 0.010 2 964 94 94 ASP HB3 H 2.715 0.010 2 965 94 94 ASP C C 175.488 0.150 1 966 94 94 ASP CA C 54.376 0.150 1 967 94 94 ASP CB C 41.368 0.150 1 968 94 94 ASP N N 119.667 0.150 1 969 95 95 VAL H H 6.779 0.010 1 970 95 95 VAL HA H 4.297 0.010 1 971 95 95 VAL HB H 1.806 0.010 1 972 95 95 VAL HG1 H 0.323 0.010 2 973 95 95 VAL HG2 H 0.092 0.010 2 974 95 95 VAL C C 174.751 0.150 1 975 95 95 VAL CA C 57.828 0.150 1 976 95 95 VAL CB C 33.670 0.150 1 977 95 95 VAL CG1 C 20.153 0.150 1 978 95 95 VAL CG2 C 16.990 0.150 1 979 95 95 VAL N N 111.072 0.150 1 980 96 96 ILE H H 7.638 0.010 1 981 96 96 ILE HA H 4.019 0.010 1 982 96 96 ILE HB H 2.099 0.010 1 983 96 96 ILE HG13 H 1.168 0.010 1 984 96 96 ILE HG12 H 1.280 0.010 1 985 96 96 ILE HG2 H 0.280 0.010 1 986 96 96 ILE HD1 H 0.750 0.010 1 987 96 96 ILE C C 176.811 0.150 1 988 96 96 ILE CA C 60.991 0.150 1 989 96 96 ILE CB C 37.696 0.150 1 990 96 96 ILE CG1 C 24.179 0.150 1 991 96 96 ILE CG2 C 16.702 0.150 1 992 96 96 ILE CD1 C 12.963 0.150 1 993 96 96 ILE N N 112.634 0.150 1 994 97 97 GLN H H 9.057 0.010 1 995 97 97 GLN HA H 4.026 0.010 1 996 97 97 GLN HB2 H 2.264 0.010 2 997 97 97 GLN HB3 H 2.264 0.010 2 998 97 97 GLN HG2 H 2.649 0.010 2 999 97 97 GLN HG3 H 2.480 0.010 2 1000 97 97 GLN HE21 H 7.743 0.010 2 1001 97 97 GLN HE22 H 6.776 0.010 2 1002 97 97 GLN C C 177.252 0.150 1 1003 97 97 GLN CA C 58.403 0.150 1 1004 97 97 GLN CB C 28.493 0.150 1 1005 97 97 GLN CG C 33.957 0.150 1 1006 97 97 GLN CD C 177.252 0.150 1 1007 97 97 GLN N N 124.629 0.150 1 1008 97 97 GLN NE2 N 111.702 0.150 1 1009 98 98 ALA H H 8.970 0.010 1 1010 98 98 ALA HA H 3.840 0.010 1 1011 98 98 ALA HB H 1.137 0.010 1 1012 98 98 ALA C C 178.355 0.150 1 1013 98 98 ALA CA C 53.801 0.150 1 1014 98 98 ALA CB C 19.290 0.150 1 1015 98 98 ALA N N 116.002 0.150 1 1016 99 99 LEU H H 7.264 0.010 1 1017 99 99 LEU HA H 4.194 0.010 1 1018 99 99 LEU HB2 H 1.514 0.010 2 1019 99 99 LEU HB3 H 1.330 0.010 2 1020 99 99 LEU HG H 1.377 0.010 1 1021 99 99 LEU HD1 H 1.305 0.010 2 1022 99 99 LEU HD2 H 0.739 0.010 2 1023 99 99 LEU C C 176.448 0.150 1 1024 99 99 LEU CA C 55.527 0.150 1 1025 99 99 LEU CB C 42.298 0.150 1 1026 99 99 LEU CG C 26.192 0.150 1 1027 99 99 LEU CD1 C 23.814 0.150 1 1028 99 99 LEU CD2 C 23.604 0.150 1 1029 99 99 LEU N N 114.351 0.150 1 1030 100 100 ASP H H 7.204 0.010 1 1031 100 100 ASP HA H 4.613 0.010 1 1032 100 100 ASP HB2 H 2.581 0.010 2 1033 100 100 ASP HB3 H 2.425 0.010 2 1034 100 100 ASP C C 177.219 0.150 1 1035 100 100 ASP CA C 56.390 0.150 1 1036 100 100 ASP CB C 41.147 0.150 1 1037 100 100 ASP N N 121.103 0.150 1 1038 101 101 LEU H H 8.228 0.010 1 1039 101 101 LEU HA H 4.265 0.010 1 1040 101 101 LEU HB2 H 1.601 0.010 2 1041 101 101 LEU HB3 H 1.171 0.010 2 1042 101 101 LEU HG H 1.809 0.010 1 1043 101 101 LEU HD1 H 0.681 0.010 2 1044 101 101 LEU HD2 H 0.516 0.010 2 1045 101 101 LEU C C 177.350 0.150 1 1046 101 101 LEU CA C 54.664 0.150 1 1047 101 101 LEU CB C 42.586 0.150 1 1048 101 101 LEU CG C 25.905 0.150 1 1049 101 101 LEU CD1 C 25.617 0.150 1 1050 101 101 LEU CD2 C 26.480 0.150 1 1051 101 101 LEU N N 109.986 0.150 1 1052 102 102 SER H H 7.181 0.010 1 1053 102 102 SER HA H 4.471 0.010 1 1054 102 102 SER HB2 H 3.601 0.010 2 1055 102 102 SER HB3 H 3.544 0.010 2 1056 102 102 SER CA C 59.841 0.150 1 1057 102 102 SER CB C 63.579 0.150 1 1058 102 102 SER N N 111.819 0.150 1 1059 103 103 VAL H H 7.948 0.010 1 1060 103 103 VAL HA H 3.974 0.010 1 1061 103 103 VAL HB H 2.300 0.010 1 1062 103 103 VAL HG1 H 1.304 0.010 2 1063 103 103 VAL HG2 H 1.031 0.010 2 1064 103 103 VAL C C 174.684 0.150 1 1065 103 103 VAL CA C 66.743 0.150 1 1066 103 103 VAL CB C 29.356 0.150 1 1067 103 103 VAL CG1 C 23.892 0.150 1 1068 103 103 VAL CG2 C 22.741 0.150 1 1069 103 103 VAL N N 124.895 0.150 1 1070 104 104 PRO HA H 4.322 0.010 1 1071 104 104 PRO HB2 H 2.421 0.010 2 1072 104 104 PRO HB3 H 1.645 0.010 2 1073 104 104 PRO HG2 H 2.119 0.010 2 1074 104 104 PRO HG3 H 1.786 0.010 2 1075 104 104 PRO HD2 H 3.643 0.010 2 1076 104 104 PRO HD3 H 3.131 0.010 2 1077 104 104 PRO C C 175.090 0.150 1 1078 104 104 PRO CA C 64.442 0.150 1 1079 104 104 PRO CB C 29.931 0.150 1 1080 104 104 PRO CG C 27.918 0.150 1 1081 104 104 PRO CD C 50.638 0.150 1 1082 105 105 LEU H H 7.393 0.010 1 1083 105 105 LEU HA H 4.372 0.010 1 1084 105 105 LEU HB2 H 1.795 0.010 2 1085 105 105 LEU HB3 H 1.710 0.010 2 1086 105 105 LEU HG H 1.611 0.010 1 1087 105 105 LEU HD1 H 0.968 0.010 2 1088 105 105 LEU HD2 H 0.877 0.010 2 1089 105 105 LEU C C 175.129 0.150 1 1090 105 105 LEU CA C 52.363 0.150 1 1091 105 105 LEU CB C 39.997 0.150 1 1092 105 105 LEU CG C 26.192 0.150 1 1093 105 105 LEU CD1 C 25.330 0.150 1 1094 105 105 LEU CD2 C 22.454 0.150 1 1095 105 105 LEU N N 115.165 0.150 1 1096 106 106 MET H H 7.876 0.010 1 1097 106 106 MET HA H 4.392 0.010 1 1098 106 106 MET HB2 H 2.188 0.010 2 1099 106 106 MET HB3 H 1.912 0.010 2 1100 106 106 MET HG2 H 2.302 0.010 2 1101 106 106 MET HG3 H 1.911 0.010 2 1102 106 106 MET HE H 1.969 0.010 1 1103 106 106 MET C C 172.771 0.150 1 1104 106 106 MET CA C 54.089 0.150 1 1105 106 106 MET CB C 34.646 0.150 1 1106 106 106 MET CG C 31.082 0.150 1 1107 106 106 MET CE C 17.277 0.150 1 1108 106 106 MET N N 121.322 0.150 1 1109 107 107 ASP H H 7.673 0.010 1 1110 107 107 ASP HA H 4.744 0.010 1 1111 107 107 ASP HB2 H 2.578 0.010 2 1112 107 107 ASP HB3 H 2.294 0.010 2 1113 107 107 ASP C C 177.026 0.150 1 1114 107 107 ASP CA C 52.363 0.150 1 1115 107 107 ASP CB C 41.147 0.150 1 1116 107 107 ASP N N 117.339 0.150 1 1117 108 108 VAL H H 8.481 0.010 1 1118 108 108 VAL HA H 3.336 0.010 1 1119 108 108 VAL HB H 2.055 0.010 1 1120 108 108 VAL HG1 H 0.945 0.010 2 1121 108 108 VAL HG2 H 0.845 0.010 2 1122 108 108 VAL C C 176.386 0.150 1 1123 108 108 VAL CA C 65.592 0.150 1 1124 108 108 VAL CB C 29.644 0.150 1 1125 108 108 VAL CG1 C 21.591 0.150 1 1126 108 108 VAL CG2 C 21.303 0.150 1 1127 108 108 VAL N N 121.762 0.150 1 1128 109 109 GLY H H 8.832 0.010 1 1129 109 109 GLY HA2 H 4.405 0.010 2 1130 109 109 GLY HA3 H 3.742 0.010 2 1131 109 109 GLY C C 173.522 0.150 1 1132 109 109 GLY CA C 43.736 0.150 1 1133 109 109 GLY N N 116.536 0.150 1 1134 110 110 GLU H H 8.491 0.010 1 1135 110 110 GLU HA H 4.624 0.010 1 1136 110 110 GLU HB2 H 2.213 0.010 2 1137 110 110 GLU HB3 H 2.010 0.010 2 1138 110 110 GLU HG2 H 2.742 0.010 2 1139 110 110 GLU HG3 H 2.698 0.010 2 1140 110 110 GLU C C 175.895 0.150 1 1141 110 110 GLU CA C 54.952 0.150 1 1142 110 110 GLU CB C 32.692 0.150 1 1143 110 110 GLU CG C 37.233 0.150 1 1144 110 110 GLU N N 124.496 0.150 1 1145 111 111 THR H H 8.992 0.010 1 1146 111 111 THR HA H 5.622 0.010 1 1147 111 111 THR HB H 3.784 0.010 1 1148 111 111 THR HG2 H 1.195 0.010 1 1149 111 111 THR C C 173.195 0.150 1 1150 111 111 THR CA C 60.703 0.150 1 1151 111 111 THR CB C 69.331 0.150 1 1152 111 111 THR CG2 C 20.728 0.150 1 1153 111 111 THR N N 119.481 0.150 1 1154 112 112 ALA H H 9.971 0.010 1 1155 112 112 ALA HA H 5.187 0.010 1 1156 112 112 ALA HB H 1.537 0.010 1 1157 112 112 ALA C C 173.771 0.150 1 1158 112 112 ALA CA C 49.487 0.150 1 1159 112 112 ALA CB C 22.454 0.150 1 1160 112 112 ALA N N 131.405 0.150 1 1161 113 113 MET H H 9.100 0.010 1 1162 113 113 MET HA H 5.523 0.010 1 1163 113 113 MET HB2 H 2.008 0.010 2 1164 113 113 MET HB3 H 1.918 0.010 2 1165 113 113 MET HG2 H 2.661 0.010 2 1166 113 113 MET HG3 H 2.529 0.010 2 1167 113 113 MET HE H 2.145 0.010 1 1168 113 113 MET C C 173.829 0.150 1 1169 113 113 MET CA C 52.651 0.150 1 1170 113 113 MET CB C 34.533 0.150 1 1171 113 113 MET CG C 31.657 0.150 1 1172 113 113 MET CE C 16.414 0.150 1 1173 113 113 MET N N 119.927 0.150 1 1174 114 114 VAL H H 9.720 0.010 1 1175 114 114 VAL HA H 5.617 0.010 1 1176 114 114 VAL HB H 2.049 0.010 1 1177 114 114 VAL HG1 H 0.920 0.010 2 1178 114 114 VAL HG2 H 0.873 0.010 2 1179 114 114 VAL C C 175.595 0.150 1 1180 114 114 VAL CA C 59.298 0.150 1 1181 114 114 VAL CB C 34.533 0.150 1 1182 114 114 VAL CG1 C 19.248 0.150 1 1183 114 114 VAL CG2 C 19.865 0.150 1 1184 114 114 VAL N N 128.096 0.150 1 1185 115 115 THR H H 9.303 0.010 1 1186 115 115 THR HA H 5.134 0.010 1 1187 115 115 THR HB H 4.117 0.010 1 1188 115 115 THR HG2 H 1.121 0.010 1 1189 115 115 THR C C 173.097 0.150 1 1190 115 115 THR CA C 58.978 0.150 1 1191 115 115 THR CB C 68.756 0.150 1 1192 115 115 THR CG2 C 20.728 0.150 1 1193 115 115 THR N N 119.558 0.150 1 1194 116 116 ALA H H 8.662 0.010 1 1195 116 116 ALA HA H 5.351 0.010 1 1196 116 116 ALA HB H 1.109 0.010 1 1197 116 116 ALA C C 173.772 0.150 1 1198 116 116 ALA CA C 49.200 0.150 1 1199 116 116 ALA CB C 24.467 0.150 1 1200 116 116 ALA N N 126.808 0.150 1 1201 117 117 ASP H H 8.175 0.010 1 1202 117 117 ASP HA H 4.440 0.010 1 1203 117 117 ASP HB2 H 2.987 0.010 2 1204 117 117 ASP HB3 H 2.484 0.010 2 1205 117 117 ASP C C 176.149 0.150 1 1206 117 117 ASP CA C 54.376 0.150 1 1207 117 117 ASP CB C 46.036 0.150 1 1208 117 117 ASP N N 120.725 0.150 1 1209 118 118 SER H H 8.612 0.010 1 1210 118 118 SER HA H 3.958 0.010 1 1211 118 118 SER HB2 H 3.577 0.010 2 1212 118 118 SER HB3 H 3.514 0.010 2 1213 118 118 SER C C 176.667 0.150 1 1214 118 118 SER CA C 61.279 0.150 1 1215 118 118 SER CB C 61.854 0.150 1 1216 118 118 SER N N 120.691 0.150 1 1217 119 119 LYS H H 9.155 0.010 1 1218 119 119 LYS HA H 3.962 0.010 1 1219 119 119 LYS HB2 H 1.643 0.010 2 1220 119 119 LYS HB3 H 1.264 0.010 2 1221 119 119 LYS HG2 H 0.932 0.010 2 1222 119 119 LYS HG3 H 0.620 0.010 2 1223 119 119 LYS HD2 H 1.409 0.010 2 1224 119 119 LYS HD3 H 1.360 0.010 2 1225 119 119 LYS HE2 H 2.763 0.010 2 1226 119 119 LYS HE3 H 2.763 0.010 2 1227 119 119 LYS C C 176.493 0.150 1 1228 119 119 LYS CA C 58.115 0.150 1 1229 119 119 LYS CB C 30.794 0.150 1 1230 119 119 LYS CG C 22.741 0.150 1 1231 119 119 LYS CD C 27.918 0.150 1 1232 119 119 LYS CE C 40.284 0.150 1 1233 119 119 LYS N N 125.834 0.150 1 1234 120 120 TYR H H 7.604 0.010 1 1235 120 120 TYR HA H 4.720 0.010 1 1236 120 120 TYR HB2 H 3.274 0.010 2 1237 120 120 TYR HB3 H 2.566 0.010 2 1238 120 120 TYR HD1 H 6.912 0.010 3 1239 120 120 TYR HD2 H 6.912 0.010 3 1240 120 120 TYR HE1 H 6.694 0.010 3 1241 120 120 TYR HE2 H 6.694 0.010 3 1242 120 120 TYR C C 172.843 0.150 1 1243 120 120 TYR CA C 56.102 0.150 1 1244 120 120 TYR CB C 38.271 0.150 1 1245 120 120 TYR CD1 C 129.504 0.150 3 1246 120 120 TYR CD2 C 129.504 0.150 3 1247 120 120 TYR CE1 C 115.755 0.150 3 1248 120 120 TYR CE2 C 115.755 0.150 3 1249 120 120 TYR N N 115.551 0.150 1 1250 121 121 CYS H H 7.729 0.010 1 1251 121 121 CYS HA H 4.463 0.010 1 1252 121 121 CYS HB2 H 3.252 0.010 2 1253 121 121 CYS HB3 H 2.645 0.010 2 1254 121 121 CYS C C 173.281 0.150 1 1255 121 121 CYS CA C 56.102 0.150 1 1256 121 121 CYS CB C 26.192 0.150 1 1257 121 121 CYS N N 119.981 0.150 1 1258 122 122 TYR H H 9.367 0.010 1 1259 122 122 TYR HA H 4.522 0.010 1 1260 122 122 TYR HB2 H 3.079 0.010 2 1261 122 122 TYR HB3 H 2.715 0.010 2 1262 122 122 TYR HD1 H 7.089 0.010 3 1263 122 122 TYR HD2 H 7.089 0.010 3 1264 122 122 TYR HE1 H 6.623 0.010 3 1265 122 122 TYR HE2 H 6.623 0.010 3 1266 122 122 TYR C C 175.871 0.150 1 1267 122 122 TYR CA C 57.540 0.150 1 1268 122 122 TYR CB C 36.258 0.150 1 1269 122 122 TYR CD1 C 130.442 0.150 3 1270 122 122 TYR CD2 C 130.442 0.150 3 1271 122 122 TYR CE1 C 115.443 0.150 3 1272 122 122 TYR CE2 C 115.443 0.150 3 1273 122 122 TYR N N 122.632 0.150 1 1274 123 123 GLY H H 8.005 0.010 1 1275 123 123 GLY HA2 H 4.108 0.010 2 1276 123 123 GLY HA3 H 3.575 0.010 2 1277 123 123 GLY CA C 45.173 0.150 1 1278 123 123 GLY N N 106.830 0.150 1 1279 124 124 PRO HA H 3.987 0.010 1 1280 124 124 PRO HB2 H 2.115 0.010 2 1281 124 124 PRO HB3 H 1.889 0.010 2 1282 124 124 PRO HG2 H 2.079 0.010 2 1283 124 124 PRO HG3 H 1.864 0.010 2 1284 124 124 PRO HD2 H 3.944 0.010 2 1285 124 124 PRO HD3 H 3.571 0.010 2 1286 124 124 PRO C C 175.827 0.150 1 1287 124 124 PRO CA C 63.004 0.150 1 1288 124 124 PRO CB C 31.944 0.150 1 1289 124 124 PRO CG C 26.192 0.150 1 1290 124 124 PRO CD C 50.063 0.150 1 1291 125 125 GLN H H 8.092 0.010 1 1292 125 125 GLN HA H 4.148 0.010 1 1293 125 125 GLN HB2 H 2.267 0.010 2 1294 125 125 GLN HB3 H 2.134 0.010 2 1295 125 125 GLN HG2 H 2.554 0.010 2 1296 125 125 GLN HG3 H 2.414 0.010 2 1297 125 125 GLN HE21 H 7.523 0.010 2 1298 125 125 GLN HE22 H 6.833 0.010 2 1299 125 125 GLN C C 178.235 0.150 1 1300 125 125 GLN CA C 56.677 0.150 1 1301 125 125 GLN CB C 28.206 0.150 1 1302 125 125 GLN CG C 33.382 0.150 1 1303 125 125 GLN CD C 178.235 0.150 1 1304 125 125 GLN N N 113.639 0.150 1 1305 125 125 GLN NE2 N 112.480 0.150 1 1306 126 126 GLY H H 7.080 0.010 1 1307 126 126 GLY HA2 H 3.811 0.010 2 1308 126 126 GLY HA3 H 3.518 0.010 2 1309 126 126 GLY C C 170.779 0.150 1 1310 126 126 GLY CA C 43.736 0.150 1 1311 126 126 GLY N N 105.154 0.150 1 1312 127 127 SER H H 8.493 0.010 1 1313 127 127 SER HA H 4.497 0.010 1 1314 127 127 SER HB2 H 3.006 0.010 2 1315 127 127 SER HB3 H 2.690 0.010 2 1316 127 127 SER CA C 55.239 0.150 1 1317 127 127 SER CB C 63.292 0.150 1 1318 127 127 SER N N 113.929 0.150 1 1319 128 128 ARG HA H 4.450 0.010 1 1320 128 128 ARG HB2 H 1.964 0.010 2 1321 128 128 ARG HB3 H 1.822 0.010 2 1322 128 128 ARG HG2 H 1.728 0.010 2 1323 128 128 ARG HG3 H 1.631 0.010 2 1324 128 128 ARG HD2 H 3.248 0.010 2 1325 128 128 ARG HD3 H 3.248 0.010 2 1326 128 128 ARG C C 175.963 0.150 1 1327 128 128 ARG CA C 56.102 0.150 1 1328 128 128 ARG CB C 30.235 0.150 1 1329 128 128 ARG CG C 26.768 0.150 1 1330 128 128 ARG CD C 42.297 0.150 1 1331 129 129 SER H H 7.437 0.010 1 1332 129 129 SER HA H 4.511 0.010 1 1333 129 129 SER HB2 H 3.765 0.010 2 1334 129 129 SER HB3 H 3.605 0.010 2 1335 129 129 SER CA C 54.328 0.150 1 1336 129 129 SER CB C 62.717 0.150 1 1337 129 129 SER N N 112.054 0.150 1 1338 130 130 PRO HA H 4.739 0.010 1 1339 130 130 PRO HB2 H 2.358 0.010 2 1340 130 130 PRO HB3 H 1.756 0.010 2 1341 130 130 PRO HG2 H 1.786 0.010 2 1342 130 130 PRO HG3 H 1.460 0.010 2 1343 130 130 PRO HD2 H 3.497 0.010 2 1344 130 130 PRO HD3 H 3.390 0.010 2 1345 130 130 PRO C C 174.671 0.150 1 1346 130 130 PRO CA C 61.566 0.150 1 1347 130 130 PRO CB C 33.382 0.150 1 1348 130 130 PRO CG C 23.604 0.150 1 1349 130 130 PRO CD C 48.912 0.150 1 1350 131 131 TYR H H 8.659 0.010 1 1351 131 131 TYR HA H 4.396 0.010 1 1352 131 131 TYR HB2 H 2.981 0.010 2 1353 131 131 TYR HB3 H 2.863 0.010 2 1354 131 131 TYR HD1 H 7.172 0.010 3 1355 131 131 TYR HD2 H 7.172 0.010 3 1356 131 131 TYR HE1 H 6.789 0.010 3 1357 131 131 TYR HE2 H 6.789 0.010 3 1358 131 131 TYR C C 173.699 0.150 1 1359 131 131 TYR CA C 57.828 0.150 1 1360 131 131 TYR CB C 36.258 0.150 1 1361 131 131 TYR CD1 C 130.875 0.150 3 1362 131 131 TYR CD2 C 130.875 0.150 3 1363 131 131 TYR CE1 C 115.130 0.150 3 1364 131 131 TYR CE2 C 115.130 0.150 3 1365 131 131 TYR N N 121.419 0.150 1 1366 132 132 ILE H H 7.859 0.010 1 1367 132 132 ILE HA H 4.107 0.010 1 1368 132 132 ILE HB H 1.147 0.010 1 1369 132 132 ILE HG12 H 1.011 0.010 1 1370 132 132 ILE HG13 H 0.718 0.010 1 1371 132 132 ILE HG2 H 0.934 0.010 1 1372 132 132 ILE HD1 H 0.459 0.010 1 1373 132 132 ILE CA C 56.102 0.150 1 1374 132 132 ILE CB C 40.572 0.150 1 1375 132 132 ILE CG1 C 26.192 0.150 1 1376 132 132 ILE CG2 C 16.414 0.150 1 1377 132 132 ILE CD1 C 12.100 0.150 1 1378 132 132 ILE N N 129.002 0.150 1 1379 134 134 PRO HA H 4.406 0.010 1 1380 134 134 PRO HB2 H 2.276 0.010 2 1381 134 134 PRO HB3 H 2.032 0.010 2 1382 134 134 PRO HG2 H 1.896 0.010 2 1383 134 134 PRO HD2 H 3.803 0.010 2 1384 134 134 PRO HD3 H 3.693 0.010 2 1385 134 134 PRO C C 175.420 0.150 1 1386 134 134 PRO CA C 63.380 0.150 1 1387 134 134 PRO CB C 32.532 0.150 1 1388 134 134 PRO CD C 56.067 0.150 1 1389 135 135 HIS H H 7.674 0.010 1 1390 135 135 HIS HA H 3.869 0.010 1 1391 135 135 HIS HB2 H 3.237 0.010 2 1392 135 135 HIS HB3 H 3.208 0.010 2 1393 135 135 HIS C C 173.292 0.150 1 1394 135 135 HIS CA C 56.102 0.150 1 1395 135 135 HIS CB C 27.055 0.150 1 1396 135 135 HIS N N 115.244 0.150 1 1397 136 136 ALA H H 7.421 0.010 1 1398 136 136 ALA HA H 4.408 0.010 1 1399 136 136 ALA HB H 1.271 0.010 1 1400 136 136 ALA C C 175.503 0.150 1 1401 136 136 ALA CA C 51.501 0.150 1 1402 136 136 ALA CB C 19.003 0.150 1 1403 136 136 ALA N N 122.303 0.150 1 1404 137 137 ALA H H 8.401 0.010 1 1405 137 137 ALA HA H 4.642 0.010 1 1406 137 137 ALA HB H 1.458 0.010 1 1407 137 137 ALA C C 176.800 0.150 1 1408 137 137 ALA CA C 51.501 0.150 1 1409 137 137 ALA CB C 18.781 0.150 1 1410 137 137 ALA N N 128.723 0.150 1 1411 138 138 LEU H H 8.265 0.010 1 1412 138 138 LEU HA H 5.269 0.010 1 1413 138 138 LEU HB2 H 1.885 0.010 2 1414 138 138 LEU HB3 H 1.414 0.010 2 1415 138 138 LEU HG H 1.914 0.010 1 1416 138 138 LEU HD1 H 1.110 0.010 2 1417 138 138 LEU HD2 H 0.855 0.010 2 1418 138 138 LEU C C 175.915 0.150 1 1419 138 138 LEU CA C 52.363 0.150 1 1420 138 138 LEU CB C 44.886 0.150 1 1421 138 138 LEU CG C 25.905 0.150 1 1422 138 138 LEU CD1 C 24.467 0.150 1 1423 138 138 LEU CD2 C 20.441 0.150 1 1424 138 138 LEU N N 117.418 0.150 1 1425 139 139 CYS H H 8.834 0.010 1 1426 139 139 CYS HA H 5.091 0.010 1 1427 139 139 CYS HB2 H 2.889 0.010 2 1428 139 139 CYS HB3 H 2.682 0.010 2 1429 139 139 CYS C C 172.969 0.150 1 1430 139 139 CYS CA C 56.677 0.150 1 1431 139 139 CYS CB C 27.343 0.150 1 1432 139 139 CYS N N 120.532 0.150 1 1433 140 140 LEU H H 9.924 0.010 1 1434 140 140 LEU HA H 5.293 0.010 1 1435 140 140 LEU HB2 H 1.881 0.010 2 1436 140 140 LEU HB3 H 1.306 0.010 2 1437 140 140 LEU HG H 1.651 0.010 1 1438 140 140 LEU HD1 H 0.941 0.010 2 1439 140 140 LEU HD2 H 0.705 0.010 2 1440 140 140 LEU C C 174.531 0.150 1 1441 140 140 LEU CA C 52.294 0.150 1 1442 140 140 LEU CB C 42.298 0.150 1 1443 140 140 LEU CG C 26.480 0.150 1 1444 140 140 LEU CD1 C 24.755 0.150 1 1445 140 140 LEU CD2 C 25.042 0.150 1 1446 140 140 LEU N N 127.852 0.150 1 1447 141 141 GLU H H 9.206 0.010 1 1448 141 141 GLU HA H 5.228 0.010 1 1449 141 141 GLU HB2 H 2.039 0.010 2 1450 141 141 GLU HB3 H 1.963 0.010 2 1451 141 141 GLU HG2 H 2.013 0.010 2 1452 141 141 GLU HG3 H 1.970 0.010 2 1453 141 141 GLU C C 175.126 0.150 1 1454 141 141 GLU CA C 54.952 0.150 1 1455 141 141 GLU CB C 30.506 0.150 1 1456 141 141 GLU CG C 36.258 0.150 1 1457 141 141 GLU N N 125.367 0.150 1 1458 142 142 VAL H H 9.371 0.010 1 1459 142 142 VAL HA H 5.069 0.010 1 1460 142 142 VAL HB H 1.964 0.010 1 1461 142 142 VAL HG1 H 0.909 0.010 2 1462 142 142 VAL HG2 H 0.855 0.010 2 1463 142 142 VAL C C 174.166 0.150 1 1464 142 142 VAL CA C 59.265 0.150 1 1465 142 142 VAL CB C 34.820 0.150 1 1466 142 142 VAL CG1 C 20.441 0.150 1 1467 142 142 VAL CG2 C 20.153 0.150 1 1468 142 142 VAL N N 127.671 0.150 1 1469 143 143 THR H H 9.174 0.010 1 1470 143 143 THR HA H 5.618 0.010 1 1471 143 143 THR HB H 4.083 0.010 1 1472 143 143 THR HG2 H 1.044 0.010 1 1473 143 143 THR C C 173.856 0.150 1 1474 143 143 THR CA C 60.416 0.150 1 1475 143 143 THR CB C 69.906 0.150 1 1476 143 143 THR CG2 C 19.865 0.150 1 1477 143 143 THR N N 123.907 0.150 1 1478 144 144 LEU H H 8.432 0.010 1 1479 144 144 LEU HA H 4.666 0.010 1 1480 144 144 LEU HB2 H 2.369 0.010 2 1481 144 144 LEU HB3 H 1.313 0.010 2 1482 144 144 LEU HG H 1.458 0.010 1 1483 144 144 LEU HD1 H 0.784 0.010 2 1484 144 144 LEU HD2 H 0.879 0.010 2 1485 144 144 LEU C C 173.725 0.150 1 1486 144 144 LEU CA C 53.818 0.150 1 1487 144 144 LEU CB C 39.997 0.150 1 1488 144 144 LEU CG C 27.630 0.150 1 1489 144 144 LEU CD1 C 26.480 0.150 1 1490 144 144 LEU CD2 C 23.317 0.150 1 1491 144 144 LEU N N 129.337 0.150 1 1492 145 145 LYS H H 8.966 0.010 1 1493 145 145 LYS HA H 4.331 0.010 1 1494 145 145 LYS HB2 H 1.875 0.010 2 1495 145 145 LYS HB3 H 1.691 0.010 2 1496 145 145 LYS HG2 H 1.574 0.010 2 1497 145 145 LYS HG3 H 1.416 0.010 2 1498 145 145 LYS HD2 H 1.753 0.010 2 1499 145 145 LYS HD3 H 1.707 0.010 2 1500 145 145 LYS HE2 H 3.004 0.010 2 1501 145 145 LYS HE3 H 3.004 0.010 2 1502 145 145 LYS C C 176.288 0.150 1 1503 145 145 LYS CA C 58.115 0.150 1 1504 145 145 LYS CB C 31.944 0.150 1 1505 145 145 LYS CG C 24.179 0.150 1 1506 145 145 LYS CD C 27.918 0.150 1 1507 145 145 LYS CE C 40.572 0.150 1 1508 145 145 LYS N N 128.440 0.150 1 1509 146 146 THR H H 7.369 0.010 1 1510 146 146 THR HA H 4.516 0.010 1 1511 146 146 THR HB H 4.059 0.010 1 1512 146 146 THR HG2 H 1.112 0.010 1 1513 146 146 THR C C 171.215 0.150 1 1514 146 146 THR CA C 59.265 0.150 1 1515 146 146 THR CB C 71.919 0.150 1 1516 146 146 THR CG2 C 21.303 0.150 1 1517 146 146 THR N N 106.210 0.150 1 1518 147 147 ALA H H 8.278 0.010 1 1519 147 147 ALA HA H 5.017 0.010 1 1520 147 147 ALA HB H 1.129 0.010 1 1521 147 147 ALA C C 174.760 0.150 1 1522 147 147 ALA CA C 50.925 0.150 1 1523 147 147 ALA CB C 21.303 0.150 1 1524 147 147 ALA N N 123.241 0.150 1 1525 148 148 VAL H H 8.725 0.010 1 1526 148 148 VAL HA H 4.592 0.010 1 1527 148 148 VAL HB H 2.127 0.010 1 1528 148 148 VAL HG1 H 0.882 0.010 2 1529 148 148 VAL HG2 H 0.848 0.010 2 1530 148 148 VAL C C 173.766 0.150 1 1531 148 148 VAL CA C 58.690 0.150 1 1532 148 148 VAL CB C 34.820 0.150 1 1533 148 148 VAL CG1 C 20.410 0.150 1 1534 148 148 VAL CG2 C 18.715 0.150 1 1535 148 148 VAL N N 118.520 0.150 1 1536 149 149 ASP H H 8.492 0.010 1 1537 149 149 ASP HA H 4.848 0.010 1 1538 149 149 ASP HB2 H 2.706 0.010 2 1539 149 149 ASP HB3 H 2.508 0.010 2 1540 149 149 ASP C C 175.845 0.150 1 1541 149 149 ASP CA C 53.226 0.150 1 1542 149 149 ASP CB C 40.572 0.150 1 1543 149 149 ASP N N 123.017 0.150 1 1544 150 150 LEU H H 8.678 0.010 1 1545 150 150 LEU HA H 4.173 0.010 1 1546 150 150 LEU HB2 H 1.595 0.010 2 1547 150 150 LEU HB3 H 1.595 0.010 2 1548 150 150 LEU HG H 1.540 0.010 1 1549 150 150 LEU HD1 H 0.866 0.010 2 1550 150 150 LEU HD2 H 0.856 0.010 2 1551 150 150 LEU C C 176.496 0.150 1 1552 150 150 LEU CA C 55.239 0.150 1 1553 150 150 LEU CB C 41.722 0.150 1 1554 150 150 LEU CG C 26.192 0.150 1 1555 150 150 LEU CD1 C 23.604 0.150 1 1556 150 150 LEU CD2 C 20.441 0.150 1 1557 150 150 LEU N N 124.078 0.150 1 1558 151 151 GLU H H 8.513 0.010 1 1559 151 151 GLU HA H 4.282 0.010 1 1560 151 151 GLU HB2 H 2.051 0.010 2 1561 151 151 GLU HB3 H 1.975 0.010 2 1562 151 151 GLU HG2 H 2.255 0.010 2 1563 151 151 GLU HG3 H 2.051 0.010 2 1564 151 151 GLU CA C 55.527 0.150 1 1565 151 151 GLU CB C 29.608 0.150 1 1566 151 151 GLU CG C 35.383 0.150 1 1567 151 151 GLU N N 120.526 0.150 1 stop_ save_