data_4403 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignment and Secondary Structure of the J Domain of Murine Polyomavirus T Antigens ; _BMRB_accession_number 4403 _BMRB_flat_file_name bmr4403.str _Entry_type original _Submission_date 1999-09-13 _Accession_date 1999-09-14 _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 Berjanskii Mark V. . 2 Riley Michael I. . 3 Xie Anyong . . 4 Semenchenko Valentyna . . 5 Folk William R. . 6 'Van Doren' Steven R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 484 "13C chemical shifts" 366 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-15 original author . stop_ _Original_release_date 2001-02-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Berjanskii, M. V., Riley, M. I., Xie, A., Semenchenko, V., Folk, W. R., and Van Doren, S. R., "NMR Structure of the N-terminal J Domain of Murine Polyomavirus T Antigens: Implications for DnaJ-like Domains and for Mutations of T Antigens", J. Biol. Chem. 275, 36094-36103 (2000). ; _Citation_title ; NMR Structure of the N-terminal J Domain of Murine Polyomavirus T Antigens: Implications for DnaJ-like Domains and for Mutations of T Antigens ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berjanskii Mark V. . 2 Riley Michael I. . 3 Xie Anyong . . 4 Semenchenko Valentyna . . 5 Folk William R. . 6 'Van Doren' Steven R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 275 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 36094 _Page_last 36103 _Year 2000 _Details . loop_ _Keyword DnaJ 'J domain' 'NMR assignments' polyomavirus 'tumor antigen' stop_ save_ ################################## # Molecular system description # ################################## save_system_Py_J _Saveframe_category molecular_system _Mol_system_name 'Polyomavirus J domain' _Abbreviation_common 'Py J' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Py J' $Py_J stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function ; J chaperone, supports Py DNA replication and transformation by the tumor antigens. Stimulates the ATPase activity of hsp70 class chaperones in vitro. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Py_J _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Polyomavirus J domain' _Name_variant 'Py J domain' _Abbreviation_common 'Py J' _Molecular_mass 9985 _Mol_thiol_state 'not present' _Details ; Contains exonI shared by the tumor antigens plus six histidines for purification. Has limited homology to J chaperones, including the highly conserved HPD motif. ; ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MDRVLSRADKERLLELLKLP RQLWGDFGRMQQAYKQQSLL LHPDKGGSHALMQELNSLWG TFKTEVYNLRMNLGGTGFQH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ARG 4 VAL 5 LEU 6 SER 7 ARG 8 ALA 9 ASP 10 LYS 11 GLU 12 ARG 13 LEU 14 LEU 15 GLU 16 LEU 17 LEU 18 LYS 19 LEU 20 PRO 21 ARG 22 GLN 23 LEU 24 TRP 25 GLY 26 ASP 27 PHE 28 GLY 29 ARG 30 MET 31 GLN 32 GLN 33 ALA 34 TYR 35 LYS 36 GLN 37 GLN 38 SER 39 LEU 40 LEU 41 LEU 42 HIS 43 PRO 44 ASP 45 LYS 46 GLY 47 GLY 48 SER 49 HIS 50 ALA 51 LEU 52 MET 53 GLN 54 GLU 55 LEU 56 ASN 57 SER 58 LEU 59 TRP 60 GLY 61 THR 62 PHE 63 LYS 64 THR 65 GLU 66 VAL 67 TYR 68 ASN 69 LEU 70 ARG 71 MET 72 ASN 73 LEU 74 GLY 75 GLY 76 THR 77 GLY 78 PHE 79 GLN 80 HIS 81 HIS 82 HIS 83 HIS 84 HIS 85 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-06 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 16044 PyLTNT 92.94 264 100.00 100.00 9.52e-48 PDB 1FAF "Nmr Structure Of The N-Terminal J Domain Of Murine Polyomavirus T Antigens" 92.94 79 100.00 100.00 5.28e-49 EMBL CAA42510 "large T antigen [Mus musculus]" 92.94 782 100.00 100.00 1.72e-45 GB AAA46872 "large t-antigen [Murine polyomavirus strain A3]" 92.94 782 100.00 100.00 1.38e-45 GB AAA93241 "large t antigen [Murine polyomavirus]" 92.94 782 100.00 100.00 1.38e-45 GB AAA93245 "large t antigen [Murine polyomavirus]" 92.94 782 100.00 100.00 1.38e-45 GB AAB59901 "large t-antigen [Murine polyomavirus strain A2]" 92.94 785 100.00 100.00 1.25e-45 GB AAL35609 "large T antigen [Murine polyomavirus strain BG]" 92.94 782 100.00 100.00 1.38e-45 REF YP_009111413 "large T antigen [Murine polyomavirus strain BG]" 92.94 782 100.00 100.00 1.38e-45 SP P03073 "RecName: Full=Large T antigen; Short=LT; Short=LT-AG" 92.94 785 100.00 100.00 1.25e-45 SP P03074 "RecName: Full=Large T antigen; Short=LT; Short=LT-AG" 92.94 782 100.00 100.00 1.38e-45 SP P12905 "RecName: Full=Large T antigen; Short=LT; Short=LT-AG" 94.12 777 98.75 100.00 1.04e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Details $Py_J Polyomavirus 10624 Virus . Polyomavirus . A3 ; tiny T antigen; Synthesized by PCR, substituting codons found frequently in highly expressed E. coli proteins. ; 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 _Details $Py_J 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET15b 'Typically purified ~5mg/liter medium' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Py_J . mM 0.5 1.5 '[95% 13C; 95% 15N]' 'sodium phosphate' 10 mM . . . KCl 10 mM . . . glycine 100 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_Sybyl_Triad _Saveframe_category software _Name 'Sybyl Triad' _Version 6.3 loop_ _Task 'spectra processing and viewing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HN(CA)HA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)HA _Sample_label $sample_1 save_ save_HA(CACO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CACO)NH _Sample_label $sample_1 save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_(H)CCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCA(CO)NH _Sample_label $sample_1 save_ save_HACACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HACACO _Sample_label $sample_1 save_ save_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_HCCH-TOCSY,_15N-separated_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-TOCSY, 15N-separated' _Sample_label $sample_1 save_ save_NOESY-HSQC,_13N-separated_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOESY-HSQC, 13N-separated' _Sample_label $sample_1 save_ save_FSCT-HSMQC-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name FSCT-HSMQC-NOESY _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)HA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HA(CACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HACACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-TOCSY, 15N-separated' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOESY-HSQC, 13N-separated' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name FSCT-HSMQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6 0.2 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shifts_reference_set_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_set_1 _Chem_shift_reference_set_label $chemical_shifts_reference_set_1 _Mol_system_component_name 'Py J' _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 . 1 MET HA H 4.05 . 1 2 . 1 MET HB2 H 2.1 . 1 3 . 1 MET HB3 H 2.1 . 1 4 . 1 MET HG2 H 2.55 . 1 5 . 1 MET HG3 H 2.55 . 1 6 . 1 MET C C 172.14 . 1 7 . 1 MET CA C 54.91 . 1 8 . 1 MET CB C 32.83 . 1 9 . 1 MET CG C 30.78 . 1 10 . 2 ASP HA H 4.64 . 1 11 . 2 ASP HB2 H 2.66 . 2 12 . 2 ASP HB3 H 2.51 . 2 13 . 2 ASP C C 175.1 . 1 14 . 2 ASP CA C 54.42 . 1 15 . 2 ASP CB C 41.39 . 1 16 . 3 ARG H H 8.36 . 1 17 . 3 ARG HA H 4.33 . 1 18 . 3 ARG HB2 H 1.76 . 1 19 . 3 ARG HB3 H 1.76 . 1 20 . 3 ARG HG2 H 1.57 . 1 21 . 3 ARG HG3 H 1.57 . 1 22 . 3 ARG HD2 H 3.15 . 1 23 . 3 ARG HD3 H 3.15 . 1 24 . 3 ARG C C 174.82 . 1 25 . 3 ARG CA C 55.97 . 1 26 . 3 ARG CB C 30.99 . 1 27 . 3 ARG CG C 27.04 . 1 28 . 3 ARG CD C 43.21 . 1 29 . 3 ARG N N 121.91 . 1 30 . 4 VAL H H 7.99 . 1 31 . 4 VAL HA H 4.31 . 1 32 . 4 VAL HB H 2.05 . 1 33 . 4 VAL HG1 H 0.76 . 2 34 . 4 VAL HG2 H 0.82 . 2 35 . 4 VAL C C 176.08 . 1 36 . 4 VAL CA C 60.1 . 1 37 . 4 VAL CB C 34.32 . 1 38 . 4 VAL CG1 C 19.33 . 2 39 . 4 VAL CG2 C 21.45 . 2 40 . 4 VAL N N 118.71 . 1 41 . 5 LEU H H 9.13 . 1 42 . 5 LEU HA H 4.56 . 1 43 . 5 LEU HB2 H 1.88 . 2 44 . 5 LEU HB3 H 1.53 . 2 45 . 5 LEU HG H 1.89 . 1 46 . 5 LEU HD1 H 1.02 . 2 47 . 5 LEU HD2 H 1.16 . 2 48 . 5 LEU C C 177.3 . 1 49 . 5 LEU CA C 54.92 . 1 50 . 5 LEU CB C 42.56 . 1 51 . 5 LEU CG C 26.9 . 1 52 . 5 LEU CD1 C 24.18 . 2 53 . 5 LEU CD2 C 26.74 . 2 54 . 5 LEU N N 125.27 . 1 55 . 6 SER H H 9.37 . 1 56 . 6 SER HA H 4.51 . 1 57 . 6 SER HB2 H 4.01 . 2 58 . 6 SER HB3 H 4.29 . 2 59 . 6 SER C C 174.45 . 1 60 . 6 SER CA C 56.92 . 1 61 . 6 SER CB C 65.24 . 1 62 . 6 SER N N 122 . 1 63 . 7 ARG H H 8.79 . 1 64 . 7 ARG HA H 3.78 . 1 65 . 7 ARG HB2 H 1.86 . 2 66 . 7 ARG HB3 H 1.77 . 2 67 . 7 ARG HG2 H 1.61 . 2 68 . 7 ARG HG3 H 1.51 . 2 69 . 7 ARG HD2 H 3.11 . 1 70 . 7 ARG HD3 H 3.11 . 1 71 . 7 ARG C C 178.1 . 1 72 . 7 ARG CA C 60.08 . 1 73 . 7 ARG CB C 29.41 . 1 74 . 7 ARG CG C 26.88 . 1 75 . 7 ARG CD C 43 . 1 76 . 7 ARG N N 122.02 . 1 77 . 8 ALA H H 8.25 . 1 78 . 8 ALA HA H 4.02 . 1 79 . 8 ALA HB H 1.32 . 1 80 . 8 ALA C C 180.26 . 1 81 . 8 ALA CA C 54.77 . 1 82 . 8 ALA CB C 18.01 . 1 83 . 8 ALA N N 121.13 . 1 84 . 9 ASP H H 7.88 . 1 85 . 9 ASP HA H 4.44 . 1 86 . 9 ASP HB2 H 2.98 . 2 87 . 9 ASP HB3 H 2.65 . 2 88 . 9 ASP C C 177.7 . 1 89 . 9 ASP CA C 56.85 . 1 90 . 9 ASP CB C 41.59 . 1 91 . 9 ASP N N 120.84 . 1 92 . 10 LYS H H 8.03 . 1 93 . 10 LYS HA H 3.66 . 1 94 . 10 LYS HB2 H 1.45 . 2 95 . 10 LYS HB3 H 1.02 . 2 96 . 10 LYS HG2 H 0.71 . 2 97 . 10 LYS HG3 H 0.59 . 2 98 . 10 LYS HD2 H 0.91 . 1 99 . 10 LYS HD3 H 0.91 . 1 100 . 10 LYS HE2 H 2.44 . 2 101 . 10 LYS HE3 H 2.04 . 2 102 . 10 LYS C C 177.65 . 1 103 . 10 LYS CA C 59.98 . 1 104 . 10 LYS CB C 31.95 . 1 105 . 10 LYS CG C 25.59 . 1 106 . 10 LYS CD C 29.48 . 1 107 . 10 LYS CE C 41.48 . 1 108 . 10 LYS N N 120.8 . 1 109 . 11 GLU H H 7.65 . 1 110 . 11 GLU HA H 3.79 . 1 111 . 11 GLU HB2 H 1.99 . 1 112 . 11 GLU HB3 H 1.99 . 1 113 . 11 GLU HG2 H 2.33 . 2 114 . 11 GLU HG3 H 2.16 . 2 115 . 11 GLU C C 179.19 . 1 116 . 11 GLU CA C 58.89 . 1 117 . 11 GLU CB C 29.12 . 1 118 . 11 GLU CG C 36.18 . 1 119 . 11 GLU N N 116.89 . 1 120 . 12 ARG H H 8.15 . 1 121 . 12 ARG HA H 4.16 . 1 122 . 12 ARG HB2 H 2.25 . 2 123 . 12 ARG HB3 H 1.95 . 2 124 . 12 ARG HG2 H 1.39 . 2 125 . 12 ARG HG3 H 1.87 . 2 126 . 12 ARG HD2 H 3.47 . 2 127 . 12 ARG HD3 H 2.92 . 2 128 . 12 ARG HE H 8.17 . 1 129 . 12 ARG C C 177.42 . 1 130 . 12 ARG CA C 57.16 . 1 131 . 12 ARG CB C 29.37 . 1 132 . 12 ARG CG C 25.91 . 1 133 . 12 ARG CD C 42.89 . 1 134 . 12 ARG N N 121.03 . 1 135 . 12 ARG NE N 96.16 . 1 136 . 13 LEU H H 8.73 . 1 137 . 13 LEU HA H 4.13 . 1 138 . 13 LEU HB2 H 1.68 . 2 139 . 13 LEU HB3 H 2.28 . 2 140 . 13 LEU HG H 1.58 . 1 141 . 13 LEU HD1 H 1.14 . 2 142 . 13 LEU HD2 H 0.89 . 2 143 . 13 LEU C C 177.97 . 5 144 . 13 LEU CA C 58.25 . 1 145 . 13 LEU CB C 40.62 . 1 146 . 13 LEU CG C 27.31 . 1 147 . 13 LEU CD1 C 22.99 . 2 148 . 13 LEU CD2 C 26.12 . 2 149 . 13 LEU N N 121.24 . 1 150 . 14 LEU H H 8.13 . 1 151 . 14 LEU HA H 3.9 . 1 152 . 14 LEU HB2 H 1.92 . 2 153 . 14 LEU HB3 H 1.67 . 2 154 . 14 LEU HG H 1.6 . 1 155 . 14 LEU HD1 H 0.92 . 2 156 . 14 LEU HD2 H 0.89 . 2 157 . 14 LEU C C 178.55 . 1 158 . 14 LEU CA C 58.89 . 1 159 . 14 LEU CB C 41.16 . 1 160 . 14 LEU CG C 27.31 . 1 161 . 14 LEU CD1 C 23.64 . 2 162 . 14 LEU CD2 C 26.56 . 2 163 . 14 LEU N N 118.2 . 1 164 . 15 GLU H H 7.95 . 1 165 . 15 GLU HA H 4.03 . 1 166 . 15 GLU HB2 H 2.18 . 2 167 . 15 GLU HB3 H 2.29 . 2 168 . 15 GLU HG2 H 2.09 . 2 169 . 15 GLU HG3 H 2.31 . 2 170 . 15 GLU C C 178.53 . 1 171 . 15 GLU CA C 59.22 . 1 172 . 15 GLU CB C 29.59 . 1 173 . 15 GLU CG C 35.86 . 1 174 . 15 GLU N N 119.45 . 1 175 . 16 LEU H H 8.54 . 1 176 . 16 LEU HA H 4.07 . 1 177 . 16 LEU HB2 H 1.99 . 2 178 . 16 LEU HB3 H 1.33 . 2 179 . 16 LEU HG H 1.7 . 1 180 . 16 LEU HD1 H 0.74 . 2 181 . 16 LEU HD2 H 0.81 . 2 182 . 16 LEU C C 178.15 . 1 183 . 16 LEU CA C 57.27 . 1 184 . 16 LEU CB C 43.54 . 1 185 . 16 LEU CG C 27.21 . 1 186 . 16 LEU CD1 C 26.34 . 2 187 . 16 LEU CD2 C 22.19 . 2 188 . 16 LEU N N 121.05 . 1 189 . 17 LEU H H 8.16 . 1 190 . 17 LEU HA H 3.91 . 1 191 . 17 LEU HB2 H 1.78 . 2 192 . 17 LEU HB3 H 1.4 . 2 193 . 17 LEU HG H 2.03 . 1 194 . 17 LEU HD1 H 0.74 . 2 195 . 17 LEU HD2 H 0.64 . 2 196 . 17 LEU C C 174.55 . 1 197 . 17 LEU CA C 55.11 . 1 198 . 17 LEU CB C 41.91 . 1 199 . 17 LEU CG C 25.69 . 1 200 . 17 LEU CD1 C 26.77 . 2 201 . 17 LEU CD2 C 21.47 . 2 202 . 17 LEU N N 115.25 . 1 203 . 18 LYS H H 7.74 . 1 204 . 18 LYS HA H 3.78 . 1 205 . 18 LYS HB2 H 1.93 . 2 206 . 18 LYS HB3 H 1.79 . 2 207 . 18 LYS HG2 H 1.26 . 1 208 . 18 LYS HG3 H 1.26 . 1 209 . 18 LYS HD2 H 1.63 . 2 210 . 18 LYS HD3 H 1.54 . 2 211 . 18 LYS HE2 H 2.96 . 1 212 . 18 LYS HE3 H 2.96 . 1 213 . 18 LYS C C 175.45 . 1 214 . 18 LYS CA C 56.41 . 1 215 . 18 LYS CB C 29.15 . 1 216 . 18 LYS CG C 24.94 . 1 217 . 18 LYS CD C 29.17 . 1 218 . 18 LYS CE C 42.4 . 1 219 . 18 LYS N N 114.79 . 1 220 . 19 LEU H H 7.54 . 1 221 . 19 LEU HA H 4.84 . 1 222 . 19 LEU HB2 H 1.45 . 2 223 . 19 LEU HB3 H 1.34 . 2 224 . 19 LEU HG H 1.6 . 1 225 . 19 LEU HD1 H 0.79 . 2 226 . 19 LEU HD2 H 0.72 . 2 227 . 19 LEU C C 174.1 . 1 228 . 19 LEU CA C 51.05 . 1 229 . 19 LEU CB C 45.05 . 1 230 . 19 LEU CG C 25.58 . 1 231 . 19 LEU CD1 C 23.85 . 2 232 . 19 LEU CD2 C 26.66 . 2 233 . 19 LEU N N 118.77 . 1 234 . 20 PRO HA H 4.52 . 1 235 . 20 PRO HB2 H 2.02 . 2 236 . 20 PRO HB3 H 2.34 . 2 237 . 20 PRO HG2 H 1.94 . 2 238 . 20 PRO HG3 H 2.05 . 2 239 . 20 PRO HD2 H 3.88 . 2 240 . 20 PRO HD3 H 3.51 . 2 241 . 20 PRO C C 177.64 . 1 242 . 20 PRO CA C 61.97 . 1 243 . 20 PRO CB C 32.31 . 1 244 . 20 PRO CG C 27.31 . 1 245 . 20 PRO CD C 50.59 . 1 246 . 21 ARG H H 8.52 . 1 247 . 21 ARG HA H 3.91 . 1 248 . 21 ARG HB2 H 1.79 . 1 249 . 21 ARG HB3 H 1.79 . 1 250 . 21 ARG HG2 H 1.6 . 1 251 . 21 ARG HG3 H 1.6 . 1 252 . 21 ARG HD2 H 3.14 . 1 253 . 21 ARG HD3 H 3.14 . 1 254 . 21 ARG C C 178.33 . 1 255 . 21 ARG CA C 59.28 . 1 256 . 21 ARG CB C 29.81 . 1 257 . 21 ARG CG C 27.23 . 1 258 . 21 ARG CD C 42.89 . 1 259 . 21 ARG N N 121.11 . 1 260 . 22 GLN H H 8.89 . 1 261 . 22 GLN HA H 4.22 . 1 262 . 22 GLN HB2 H 2.09 . 1 263 . 22 GLN HB3 H 2.09 . 1 264 . 22 GLN HG2 H 2.46 . 2 265 . 22 GLN HG3 H 2.38 . 2 266 . 22 GLN C C 176.33 . 1 267 . 22 GLN CA C 58.11 . 1 268 . 22 GLN CB C 27.65 . 1 269 . 22 GLN CG C 33.59 . 1 270 . 22 GLN N N 117.78 . 1 271 . 23 LEU H H 7.87 . 1 272 . 23 LEU HA H 4.44 . 1 273 . 23 LEU HB2 H 1.7 . 1 274 . 23 LEU HB3 H 1.7 . 1 275 . 23 LEU HG H 1.58 . 1 276 . 23 LEU HD1 H 0.9 . 2 277 . 23 LEU HD2 H 0.86 . 2 278 . 23 LEU C C 175.67 . 1 279 . 23 LEU CA C 54.14 . 1 280 . 23 LEU CB C 41.68 . 1 281 . 23 LEU CG C 27.62 . 1 282 . 23 LEU CD1 C 25.94 . 2 283 . 23 LEU CD2 C 23.11 . 2 284 . 23 LEU N N 119.43 . 1 285 . 24 TRP H H 7.63 . 1 286 . 24 TRP HA H 4.04 . 1 287 . 24 TRP HB2 H 3.33 . 2 288 . 24 TRP HB3 H 3.17 . 2 289 . 24 TRP HD1 H 7.11 . 1 290 . 24 TRP HE1 H 10.42 . 1 291 . 24 TRP HE3 H 7.3 . 1 292 . 24 TRP HZ2 H 7.57 . 1 293 . 24 TRP HZ3 H 6.77 . 1 294 . 24 TRP HH2 H 6.91 . 1 295 . 24 TRP C C 176.86 . 1 296 . 24 TRP CA C 59.44 . 1 297 . 24 TRP CB C 29.04 . 1 298 . 24 TRP CD1 C 127.87 . 1 299 . 24 TRP CE3 C 119.7 . 1 300 . 24 TRP CZ2 C 114.94 . 1 301 . 24 TRP CZ3 C 121.63 . 1 302 . 24 TRP CH2 C 124 . 1 303 . 24 TRP N N 119.14 . 1 304 . 24 TRP NE1 N 130.64 . 1 305 . 25 GLY H H 6.67 . 1 306 . 25 GLY HA2 H 4.09 . 2 307 . 25 GLY HA3 H 3.02 . 2 308 . 25 GLY C C 172.75 . 1 309 . 25 GLY CA C 44.4 . 1 310 . 25 GLY N N 114.31 . 1 311 . 26 ASP H H 7.78 . 1 312 . 26 ASP HA H 4.69 . 1 313 . 26 ASP HB2 H 3.15 . 2 314 . 26 ASP HB3 H 2.3 . 2 315 . 26 ASP C C 175.04 . 1 316 . 26 ASP CA C 52.51 . 1 317 . 26 ASP CB C 39.43 . 1 318 . 26 ASP N N 122.15 . 1 319 . 27 PHE H H 8.48 . 1 320 . 27 PHE HA H 3.99 . 1 321 . 27 PHE HB2 H 3.15 . 2 322 . 27 PHE HB3 H 3.08 . 2 323 . 27 PHE HD1 H 7.18 . 1 324 . 27 PHE HD2 H 7.18 . 1 325 . 27 PHE HE1 H 7.09 . 1 326 . 27 PHE HE2 H 7.09 . 1 327 . 27 PHE HZ H 7.16 . 1 328 . 27 PHE C C 176.97 . 1 329 . 27 PHE CA C 62.7 . 1 330 . 27 PHE CB C 39.6 . 1 331 . 27 PHE CD1 C 131.33 . 1 332 . 27 PHE CD2 C 131.33 . 1 333 . 27 PHE CE1 C 131.66 . 1 334 . 27 PHE CE2 C 131.66 . 1 335 . 27 PHE CZ C 129.6 . 1 336 . 27 PHE N N 128 . 1 337 . 28 GLY H H 8.83 . 1 338 . 28 GLY HA2 H 4.03 . 2 339 . 28 GLY HA3 H 3.82 . 2 340 . 28 GLY C C 177.21 . 1 341 . 28 GLY CA C 47.21 . 1 342 . 28 GLY N N 105.84 . 1 343 . 29 ARG H H 7.99 . 1 344 . 29 ARG HA H 4.15 . 1 345 . 29 ARG HB2 H 1.73 . 1 346 . 29 ARG HB3 H 1.73 . 1 347 . 29 ARG HG2 H 1.69 . 1 348 . 29 ARG HG3 H 1.69 . 1 349 . 29 ARG HD2 H 3.19 . 1 350 . 29 ARG HD3 H 3.19 . 1 351 . 29 ARG C C 180.07 . 1 352 . 29 ARG CA C 57.69 . 1 353 . 29 ARG CB C 29.37 . 1 354 . 29 ARG CG C 27.64 . 1 355 . 29 ARG CD C 41.87 . 1 356 . 29 ARG N N 121.81 . 1 357 . 30 MET H H 8.79 . 1 358 . 30 MET HA H 3.77 . 1 359 . 30 MET HB2 H 2.02 . 1 360 . 30 MET HB3 H 2.02 . 1 361 . 30 MET HG2 H 2.76 . 2 362 . 30 MET HG3 H 1.88 . 2 363 . 30 MET C C 176.33 . 1 364 . 30 MET CA C 59.98 . 1 365 . 30 MET CB C 33.48 . 1 366 . 30 MET CG C 32.51 . 1 367 . 30 MET CE C 16.39 . 1 368 . 30 MET N N 121.06 . 1 369 . 31 GLN H H 8.99 . 1 370 . 31 GLN HA H 3.63 . 1 371 . 31 GLN HB2 H 1.89 . 2 372 . 31 GLN HB3 H 2.08 . 2 373 . 31 GLN HG2 H 2.35 . 2 374 . 31 GLN HG3 H 2.3 . 2 375 . 31 GLN C C 177.86 . 1 376 . 31 GLN CA C 59.07 . 1 377 . 31 GLN CB C 28.75 . 1 378 . 31 GLN CG C 34.79 . 1 379 . 31 GLN N N 119.63 . 1 380 . 32 GLN H H 7.67 . 1 381 . 32 GLN HA H 3.97 . 1 382 . 32 GLN HB2 H 2.14 . 2 383 . 32 GLN HB3 H 2.1 . 2 384 . 32 GLN HG2 H 2.46 . 2 385 . 32 GLN HG3 H 2.36 . 2 386 . 32 GLN C C 177.99 . 5 387 . 32 GLN CA C 58.68 . 1 388 . 32 GLN CB C 28.4 . 1 389 . 32 GLN CG C 33.59 . 1 390 . 32 GLN N N 119.88 . 1 391 . 33 ALA H H 7.65 . 1 392 . 33 ALA HA H 4.21 . 1 393 . 33 ALA HB H 1.62 . 1 394 . 33 ALA C C 178.62 . 1 395 . 33 ALA CA C 54.68 . 1 396 . 33 ALA CB C 18.88 . 1 397 . 33 ALA N N 122.73 . 1 398 . 34 TYR H H 8.49 . 1 399 . 34 TYR HA H 3.41 . 1 400 . 34 TYR HB2 H 1.66 . 2 401 . 34 TYR HB3 H 2.14 . 2 402 . 34 TYR HD1 H 6.26 . 1 403 . 34 TYR HD2 H 6.26 . 1 404 . 34 TYR HE1 H 6.55 . 1 405 . 34 TYR HE2 H 6.55 . 1 406 . 34 TYR C C 177.69 . 1 407 . 34 TYR CA C 61.49 . 1 408 . 34 TYR CB C 36.72 . 1 409 . 34 TYR CD1 C 131.6 . 1 410 . 34 TYR CD2 C 131.6 . 1 411 . 34 TYR CE1 C 117.19 . 1 412 . 34 TYR CE2 C 117.19 . 1 413 . 34 TYR N N 121.69 . 1 414 . 35 LYS H H 8.09 . 1 415 . 35 LYS HA H 3.41 . 1 416 . 35 LYS HB2 H 1.82 . 1 417 . 35 LYS HB3 H 1.82 . 1 418 . 35 LYS HG2 H 1.37 . 2 419 . 35 LYS HG3 H 1.57 . 2 420 . 35 LYS HD2 H 1.63 . 1 421 . 35 LYS HD3 H 1.63 . 1 422 . 35 LYS HE2 H 2.91 . 1 423 . 35 LYS HE3 H 2.91 . 1 424 . 35 LYS C C 178.44 . 1 425 . 35 LYS CA C 59.44 . 1 426 . 35 LYS CB C 31.75 . 1 427 . 35 LYS CG C 25.26 . 1 428 . 35 LYS CD C 29.14 . 1 429 . 35 LYS CE C 41.89 . 1 430 . 35 LYS N N 121.8 . 1 431 . 36 GLN H H 7.69 . 1 432 . 36 GLN HA H 3.99 . 1 433 . 36 GLN HB2 H 2.03 . 2 434 . 36 GLN HB3 H 2.14 . 2 435 . 36 GLN HG2 H 2.37 . 2 436 . 36 GLN HG3 H 2.42 . 2 437 . 36 GLN C C 178.89 . 5 438 . 36 GLN CA C 58.55 . 1 439 . 36 GLN CB C 28.53 . 1 440 . 36 GLN CG C 33.59 . 1 441 . 36 GLN N N 117.51 . 1 442 . 37 GLN H H 8.89 . 1 443 . 37 GLN HA H 3.98 . 1 444 . 37 GLN HB2 H 1.67 . 2 445 . 37 GLN HB3 H 2.06 . 2 446 . 37 GLN HG2 H 2.73 . 2 447 . 37 GLN HG3 H 2.5 . 2 448 . 37 GLN C C 177.94 . 1 449 . 37 GLN CA C 57.38 . 1 450 . 37 GLN CB C 27.79 . 1 451 . 37 GLN CG C 33.26 . 1 452 . 37 GLN N N 117.32 . 1 453 . 38 SER H H 8.13 . 1 454 . 38 SER HA H 3.77 . 1 455 . 38 SER HB2 H 3.55 . 2 456 . 38 SER HB3 H 3.25 . 2 457 . 38 SER C C 175.43 . 1 458 . 38 SER CA C 62.14 . 1 459 . 38 SER CB C 62.03 . 1 460 . 38 SER N N 114.66 . 1 461 . 39 LEU H H 6.73 . 1 462 . 39 LEU HA H 4.08 . 1 463 . 39 LEU HB2 H 1.5 . 2 464 . 39 LEU HB3 H 1.7 . 2 465 . 39 LEU HG H 1.64 . 1 466 . 39 LEU HD1 H 0.77 . 2 467 . 39 LEU HD2 H 0.81 . 2 468 . 39 LEU C C 178.56 . 1 469 . 39 LEU CA C 56.95 . 1 470 . 39 LEU CB C 42.02 . 1 471 . 39 LEU CG C 26.48 . 1 472 . 39 LEU CD1 C 23.25 . 2 473 . 39 LEU CD2 C 24.82 . 2 474 . 39 LEU N N 120.01 . 1 475 . 40 LEU H H 7.17 . 1 476 . 40 LEU HA H 4.07 . 1 477 . 40 LEU HB2 H 1.5 . 2 478 . 40 LEU HB3 H 1.7 . 2 479 . 40 LEU HG H 1.68 . 1 480 . 40 LEU HD1 H 0.81 . 2 481 . 40 LEU HD2 H 0.83 . 2 482 . 40 LEU C C 177.72 . 1 483 . 40 LEU CA C 56.26 . 1 484 . 40 LEU CB C 41.96 . 1 485 . 40 LEU CG C 26.55 . 1 486 . 40 LEU CD1 C 22.34 . 2 487 . 40 LEU CD2 C 25.04 . 2 488 . 40 LEU N N 118.01 . 1 489 . 41 LEU H H 7.81 . 1 490 . 41 LEU HA H 4.2 . 1 491 . 41 LEU HB2 H 1.46 . 2 492 . 41 LEU HB3 H 1.67 . 2 493 . 41 LEU HG H 1.78 . 1 494 . 41 LEU HD1 H 0.77 . 2 495 . 41 LEU HD2 H 0.82 . 2 496 . 41 LEU C C 175.59 . 1 497 . 41 LEU CA C 54.57 . 1 498 . 41 LEU CB C 42.02 . 1 499 . 41 LEU CG C 26.75 . 1 500 . 41 LEU CD1 C 25.8 . 2 501 . 41 LEU CD2 C 22.56 . 2 502 . 41 LEU N N 117.4 . 1 503 . 42 HIS H H 7.21 . 1 504 . 42 HIS HA H 4.56 . 1 505 . 42 HIS HB2 H 3.06 . 2 506 . 42 HIS HB3 H 2.96 . 2 507 . 42 HIS HD2 H 6.98 . 3 508 . 42 HIS HE1 H 7.96 . 3 509 . 42 HIS C C 174.34 . 1 510 . 42 HIS CA C 55.63 . 1 511 . 42 HIS CB C 29.85 . 1 512 . 42 HIS CD2 C 119.61 . 1 513 . 42 HIS CE1 C 137.93 . 1 514 . 42 HIS N N 120.56 . 1 515 . 43 PRO HA H 4.09 . 1 516 . 43 PRO HB2 H 1.88 . 2 517 . 43 PRO HB3 H 2.09 . 2 518 . 43 PRO HG2 H 1.5 . 2 519 . 43 PRO HG3 H 1.68 . 2 520 . 43 PRO HD2 H 3.3 . 2 521 . 43 PRO HD3 H 2.73 . 2 522 . 43 PRO C C 177.98 . 1 523 . 43 PRO CA C 64.73 . 1 524 . 43 PRO CB C 31.72 . 1 525 . 43 PRO CG C 27.21 . 1 526 . 43 PRO CD C 50.46 . 1 527 . 44 ASP H H 10.54 . 1 528 . 44 ASP HA H 4.51 . 1 529 . 44 ASP HB2 H 2.72 . 1 530 . 44 ASP HB3 H 2.72 . 1 531 . 44 ASP C C 177 . 1 532 . 44 ASP CA C 55.76 . 1 533 . 44 ASP CB C 39.97 . 1 534 . 44 ASP N N 121.98 . 1 535 . 45 LYS H H 7.96 . 1 536 . 45 LYS HA H 4.48 . 1 537 . 45 LYS HB2 H 2.07 . 2 538 . 45 LYS HB3 H 1.84 . 2 539 . 45 LYS HG2 H 1.46 . 2 540 . 45 LYS HG3 H 1.31 . 2 541 . 45 LYS HD2 H 1.6 . 1 542 . 45 LYS HD3 H 1.6 . 1 543 . 45 LYS HE2 H 2.89 . 2 544 . 45 LYS HE3 H 2.84 . 2 545 . 45 LYS C C 176.58 . 1 546 . 45 LYS CA C 54.67 . 1 547 . 45 LYS CB C 32.49 . 1 548 . 45 LYS CG C 24.63 . 1 549 . 45 LYS CD C 28.33 . 1 550 . 45 LYS CE C 42.17 . 1 551 . 45 LYS N N 119.17 . 1 552 . 46 GLY H H 7.98 . 1 553 . 46 GLY HA2 H 3.81 . 2 554 . 46 GLY HA3 H 4.24 . 2 555 . 46 GLY C C 174.87 . 1 556 . 46 GLY CA C 45.16 . 1 557 . 46 GLY N N 108.7 . 1 558 . 47 GLY H H 7.8 . 1 559 . 47 GLY HA2 H 3.61 . 2 560 . 47 GLY HA3 H 4.17 . 2 561 . 47 GLY C C 173.35 . 1 562 . 47 GLY CA C 43.94 . 1 563 . 47 GLY N N 108.91 . 1 564 . 48 SER H H 8.08 . 1 565 . 48 SER HA H 4.58 . 1 566 . 48 SER HB2 H 4.06 . 2 567 . 48 SER HB3 H 3.85 . 2 568 . 48 SER C C 174.25 . 1 569 . 48 SER CA C 57 . 1 570 . 48 SER CB C 64.52 . 1 571 . 48 SER N N 115.58 . 1 572 . 49 HIS HA H 4.29 . 1 573 . 49 HIS HB2 H 3.13 . 1 574 . 49 HIS HB3 H 3.13 . 1 575 . 49 HIS C C 176.81 . 1 576 . 49 HIS CA C 59.49 . 1 577 . 49 HIS CB C 29.91 . 1 578 . 50 ALA H H 8.4 . 1 579 . 50 ALA HA H 4.08 . 1 580 . 50 ALA HB H 1.39 . 1 581 . 50 ALA C C 180.69 . 1 582 . 50 ALA CA C 55.11 . 1 583 . 50 ALA CB C 18.1 . 1 584 . 50 ALA N N 122.12 . 1 585 . 51 LEU H H 7.9 . 1 586 . 51 LEU HA H 4.25 . 1 587 . 51 LEU HB2 H 1.83 . 2 588 . 51 LEU HB3 H 1.51 . 2 589 . 51 LEU HG H 1.64 . 1 590 . 51 LEU HD1 H 0.92 . 2 591 . 51 LEU HD2 H 0.87 . 2 592 . 51 LEU C C 178.21 . 1 593 . 51 LEU CA C 57.49 . 1 594 . 51 LEU CB C 42.35 . 1 595 . 51 LEU CG C 27.31 . 1 596 . 51 LEU CD1 C 25.04 . 2 597 . 51 LEU CD2 C 23.42 . 2 598 . 51 LEU N N 120.67 . 1 599 . 52 MET H H 7.98 . 1 600 . 52 MET HA H 4.03 . 1 601 . 52 MET HB2 H 2.06 . 2 602 . 52 MET HB3 H 2.14 . 2 603 . 52 MET HG2 H 2.48 . 1 604 . 52 MET HG3 H 2.48 . 1 605 . 52 MET HE H 2.02 . 1 606 . 52 MET C C 178.35 . 1 607 . 52 MET CA C 58.35 . 1 608 . 52 MET CB C 32.83 . 1 609 . 52 MET CG C 31.7 . 1 610 . 52 MET CE C 18.45 . 1 611 . 52 MET N N 118.97 . 1 612 . 53 GLN H H 8.22 . 1 613 . 53 GLN HA H 4.08 . 1 614 . 53 GLN HB2 H 2.09 . 1 615 . 53 GLN HB3 H 2.09 . 1 616 . 53 GLN HG2 H 2.31 . 2 617 . 53 GLN HG3 H 2.38 . 2 618 . 53 GLN C C 178.5 . 1 619 . 53 GLN CA C 58.65 . 1 620 . 53 GLN CB C 28.6 . 1 621 . 53 GLN CG C 33.82 . 1 622 . 53 GLN N N 117.96 . 1 623 . 54 GLU H H 8.04 . 1 624 . 54 GLU HA H 4.03 . 1 625 . 54 GLU HB2 H 2.07 . 2 626 . 54 GLU HB3 H 2.23 . 2 627 . 54 GLU HG2 H 2.31 . 2 628 . 54 GLU HG3 H 2.1 . 2 629 . 54 GLU C C 178.28 . 1 630 . 54 GLU CA C 59.59 . 1 631 . 54 GLU CB C 29.42 . 1 632 . 54 GLU CG C 35.8 . 1 633 . 54 GLU N N 123.74 . 1 634 . 55 LEU H H 8.58 . 1 635 . 55 LEU HA H 4.08 . 1 636 . 55 LEU HB2 H 2.09 . 2 637 . 55 LEU HB3 H 1.46 . 2 638 . 55 LEU HG H 1.69 . 1 639 . 55 LEU HD1 H 0.74 . 2 640 . 55 LEU HD2 H 0.99 . 2 641 . 55 LEU C C 177.88 . 1 642 . 55 LEU CA C 58.58 . 1 643 . 55 LEU CB C 40.68 . 1 644 . 55 LEU CG C 27.5 . 1 645 . 55 LEU CD1 C 26 . 2 646 . 55 LEU CD2 C 23.3 . 2 647 . 55 LEU N N 119.5 . 1 648 . 56 ASN H H 8.61 . 1 649 . 56 ASN HA H 4.71 . 1 650 . 56 ASN HB2 H 3.03 . 2 651 . 56 ASN HB3 H 2.89 . 2 652 . 56 ASN HD21 H 7.76 . 2 653 . 56 ASN HD22 H 7.14 . 2 654 . 56 ASN C C 179.02 . 1 655 . 56 ASN CA C 56.42 . 1 656 . 56 ASN CB C 37.79 . 1 657 . 56 ASN N N 116.49 . 1 658 . 56 ASN ND2 N 112.82 . 1 659 . 57 SER H H 8.47 . 1 660 . 57 SER HA H 4.33 . 1 661 . 57 SER HB2 H 4.08 . 1 662 . 57 SER HB3 H 4.08 . 1 663 . 57 SER C C 177.09 . 1 664 . 57 SER CA C 61.51 . 1 665 . 57 SER CB C 62.79 . 1 666 . 57 SER N N 118.37 . 1 667 . 58 LEU H H 8.45 . 1 668 . 58 LEU HA H 4.19 . 1 669 . 58 LEU HB2 H 1.47 . 2 670 . 58 LEU HB3 H 2.1 . 2 671 . 58 LEU HG H 2.01 . 1 672 . 58 LEU HD1 H 0.94 . 1 673 . 58 LEU HD2 H 0.94 . 1 674 . 58 LEU C C 178.6 . 1 675 . 58 LEU CA C 58.09 . 1 676 . 58 LEU CB C 44.66 . 1 677 . 58 LEU CG C 26.93 . 1 678 . 58 LEU CD1 C 26.56 . 2 679 . 58 LEU CD2 C 22.84 . 2 680 . 58 LEU N N 123.47 . 1 681 . 59 TRP H H 9.26 . 1 682 . 59 TRP HA H 4.5 . 1 683 . 59 TRP HB2 H 3.06 . 1 684 . 59 TRP HB3 H 3.06 . 1 685 . 59 TRP HD1 H 6.35 . 1 686 . 59 TRP HE1 H 9.64 . 1 687 . 59 TRP HE3 H 7.17 . 1 688 . 59 TRP HZ2 H 7.11 . 1 689 . 59 TRP HZ3 H 6.43 . 1 690 . 59 TRP HH2 H 6.32 . 1 691 . 59 TRP C C 177.17 . 1 692 . 59 TRP CA C 59.5 . 1 693 . 59 TRP CB C 30.67 . 1 694 . 59 TRP CD1 C 126.5 . 1 695 . 59 TRP CE3 C 119.04 . 1 696 . 59 TRP CZ2 C 113.38 . 1 697 . 59 TRP CZ3 C 121.17 . 1 698 . 59 TRP CH2 C 122.21 . 1 699 . 59 TRP N N 120.33 . 1 700 . 59 TRP NE1 N 128.98 . 1 701 . 60 GLY H H 8.23 . 1 702 . 60 GLY HA2 H 3.5 . 2 703 . 60 GLY HA3 H 3.95 . 2 704 . 60 GLY C C 176.61 . 1 705 . 60 GLY CA C 47.13 . 1 706 . 60 GLY N N 104.48 . 1 707 . 61 THR H H 7.88 . 1 708 . 61 THR HA H 3.94 . 1 709 . 61 THR HB H 4.24 . 1 710 . 61 THR HG2 H 1.14 . 1 711 . 61 THR C C 175.75 . 1 712 . 61 THR CA C 66.55 . 1 713 . 61 THR CB C 68.21 . 1 714 . 61 THR CG2 C 22.58 . 1 715 . 61 THR N N 120.09 . 1 716 . 62 PHE H H 8.44 . 1 717 . 62 PHE HA H 4.07 . 1 718 . 62 PHE HB2 H 3.02 . 2 719 . 62 PHE HB3 H 2.94 . 2 720 . 62 PHE HD1 H 6.57 . 1 721 . 62 PHE HD2 H 6.57 . 1 722 . 62 PHE HE1 H 6.69 . 1 723 . 62 PHE HE2 H 6.69 . 1 724 . 62 PHE HZ H 6.71 . 1 725 . 62 PHE C C 175.83 . 1 726 . 62 PHE CA C 61.45 . 1 727 . 62 PHE CB C 38.86 . 1 728 . 62 PHE CD1 C 131.4 . 1 729 . 62 PHE CD2 C 131.4 . 1 730 . 62 PHE CE1 C 130.85 . 1 731 . 62 PHE CE2 C 130.85 . 1 732 . 62 PHE CZ C 129.5 . 1 733 . 62 PHE N N 124.22 . 1 734 . 63 LYS H H 8.39 . 1 735 . 63 LYS HA H 3.12 . 1 736 . 63 LYS HB2 H 1.35 . 2 737 . 63 LYS HB3 H 1.27 . 2 738 . 63 LYS HG2 H 0.85 . 1 739 . 63 LYS HG3 H 0.85 . 1 740 . 63 LYS HD2 H 1.49 . 1 741 . 63 LYS HD3 H 1.49 . 1 742 . 63 LYS HE2 H 2.8 . 2 743 . 63 LYS HE3 H 2.6 . 2 744 . 63 LYS C C 177.97 . 1 745 . 63 LYS CA C 59.89 . 1 746 . 63 LYS CB C 31.32 . 1 747 . 63 LYS CG C 24.79 . 1 748 . 63 LYS CD C 29.4 . 1 749 . 63 LYS CE C 41.25 . 1 750 . 63 LYS N N 117.9 . 1 751 . 64 THR H H 7.57 . 1 752 . 64 THR HA H 3.82 . 1 753 . 64 THR HB H 4.24 . 1 754 . 64 THR HG2 H 1.2 . 1 755 . 64 THR C C 175.26 . 1 756 . 64 THR CA C 66 . 1 757 . 64 THR CB C 68.62 . 1 758 . 64 THR CG2 C 21.92 . 1 759 . 64 THR N N 115.07 . 1 760 . 65 GLU H H 7.86 . 1 761 . 65 GLU HA H 4.03 . 1 762 . 65 GLU HB2 H 2.05 . 2 763 . 65 GLU HB3 H 2.29 . 2 764 . 65 GLU HG2 H 2.15 . 2 765 . 65 GLU HG3 H 2.34 . 2 766 . 65 GLU C C 178.28 . 5 767 . 65 GLU CA C 59.44 . 1 768 . 65 GLU CB C 29.69 . 1 769 . 65 GLU CG C 36.53 . 1 770 . 65 GLU N N 123.11 . 1 771 . 66 VAL H H 7.73 . 1 772 . 66 VAL HA H 3.44 . 1 773 . 66 VAL HB H 1.5 . 1 774 . 66 VAL HG1 H 0.27 . 2 775 . 66 VAL HG2 H 0.34 . 2 776 . 66 VAL C C 177.66 . 1 777 . 66 VAL CA C 65.34 . 1 778 . 66 VAL CB C 31.53 . 1 779 . 66 VAL CG1 C 21.97 . 2 780 . 66 VAL CG2 C 20.72 . 2 781 . 66 VAL N N 118.52 . 1 782 . 67 TYR H H 7.87 . 1 783 . 67 TYR HA H 4.02 . 1 784 . 67 TYR HB2 H 2.95 . 2 785 . 67 TYR HB3 H 2.87 . 2 786 . 67 TYR HD1 H 6.91 . 1 787 . 67 TYR HD2 H 6.91 . 1 788 . 67 TYR HE1 H 6.59 . 1 789 . 67 TYR HE2 H 6.59 . 1 790 . 67 TYR C C 177.18 . 1 791 . 67 TYR CA C 60.07 . 1 792 . 67 TYR CB C 37.61 . 1 793 . 67 TYR CD1 C 132.66 . 1 794 . 67 TYR CD2 C 132.66 . 1 795 . 67 TYR CE1 C 117.85 . 1 796 . 67 TYR CE2 C 117.85 . 1 797 . 67 TYR N N 120.88 . 1 798 . 68 ASN H H 8.14 . 1 799 . 68 ASN HA H 4.39 . 1 800 . 68 ASN HB2 H 2.76 . 1 801 . 68 ASN HB3 H 2.76 . 1 802 . 68 ASN C C 176.58 . 1 803 . 68 ASN CA C 54.76 . 1 804 . 68 ASN CB C 38.06 . 1 805 . 68 ASN N N 118.45 . 1 806 . 69 LEU H H 7.82 . 1 807 . 69 LEU HA H 4.14 . 1 808 . 69 LEU HB2 H 1.54 . 2 809 . 69 LEU HB3 H 1.7 . 2 810 . 69 LEU HG H 1.65 . 1 811 . 69 LEU HD1 H 0.84 . 2 812 . 69 LEU HD2 H 0.8 . 2 813 . 69 LEU C C 178.08 . 1 814 . 69 LEU CA C 56.52 . 1 815 . 69 LEU CB C 41.86 . 1 816 . 69 LEU CG C 26.69 . 1 817 . 69 LEU CD1 C 24.96 . 2 818 . 69 LEU CD2 C 23.32 . 2 819 . 69 LEU N N 121.02 . 1 820 . 70 ARG H H 7.86 . 1 821 . 70 ARG HA H 4.06 . 1 822 . 70 ARG HB2 H 1.73 . 1 823 . 70 ARG HB3 H 1.73 . 1 824 . 70 ARG HG2 H 1.5 . 2 825 . 70 ARG HG3 H 1.55 . 2 826 . 70 ARG HD2 H 2.97 . 1 827 . 70 ARG HD3 H 2.97 . 1 828 . 70 ARG C C 176.99 . 1 829 . 70 ARG CA C 57.16 . 1 830 . 70 ARG CB C 29.8 . 1 831 . 70 ARG CG C 27.1 . 1 832 . 70 ARG CD C 43.21 . 1 833 . 70 ARG N N 118.92 . 1 834 . 71 MET H H 7.88 . 1 835 . 71 MET HA H 4.29 . 1 836 . 71 MET HB2 H 1.94 . 2 837 . 71 MET HB3 H 1.86 . 2 838 . 71 MET HG2 H 2.28 . 2 839 . 71 MET HG3 H 2.37 . 2 840 . 71 MET HE H 1.96 . 5 841 . 71 MET C C 176.05 . 1 842 . 71 MET CA C 55.74 . 1 843 . 71 MET CB C 32.34 . 1 844 . 71 MET CG C 31.98 . 1 845 . 71 MET CE C 16.82 . 5 846 . 71 MET N N 118.53 . 1 847 . 72 ASN H H 8.11 . 1 848 . 72 ASN HA H 4.61 . 1 849 . 72 ASN HB2 H 2.68 . 2 850 . 72 ASN HB3 H 2.79 . 2 851 . 72 ASN HD21 H 7.5 . 2 852 . 72 ASN HD22 H 6.84 . 2 853 . 72 ASN C C 175.13 . 1 854 . 72 ASN CA C 53.35 . 1 855 . 72 ASN CB C 38.29 . 1 856 . 72 ASN N N 118.84 . 1 857 . 72 ASN ND2 N 113.06 . 1 858 . 73 LEU H H 8.1 . 1 859 . 73 LEU HA H 4.25 . 1 860 . 73 LEU HB2 H 1.53 . 1 861 . 73 LEU HB3 H 1.53 . 1 862 . 73 LEU HG H 1.53 . 1 863 . 73 LEU HD1 H 0.74 . 2 864 . 73 LEU HD2 H 0.8 . 2 865 . 73 LEU C C 177.7 . 1 866 . 73 LEU CA C 55.37 . 1 867 . 73 LEU CB C 41.99 . 1 868 . 73 LEU CG C 26.63 . 1 869 . 73 LEU CD1 C 23.05 . 2 870 . 73 LEU CD2 C 24.98 . 2 871 . 73 LEU N N 122.27 . 1 872 . 74 GLY H H 8.27 . 1 873 . 74 GLY HA2 H 3.9 . 1 874 . 74 GLY HA3 H 3.9 . 1 875 . 74 GLY C C 174.48 . 1 876 . 74 GLY CA C 45.17 . 1 877 . 74 GLY N N 109.03 . 1 878 . 75 GLY H H 8.18 . 1 879 . 75 GLY HA2 H 3.98 . 1 880 . 75 GLY HA3 H 3.98 . 1 881 . 75 GLY C C 174.38 . 1 882 . 75 GLY CA C 45.09 . 1 883 . 75 GLY N N 108.96 . 1 884 . 76 THR H H 8.11 . 1 885 . 76 THR HA H 4.27 . 1 886 . 76 THR HB H 4.19 . 1 887 . 76 THR HG2 H 1.13 . 1 888 . 76 THR C C 175.1 . 1 889 . 76 THR CA C 61.98 . 1 890 . 76 THR CB C 69.58 . 1 891 . 76 THR CG2 C 21.35 . 1 892 . 76 THR N N 113.19 . 1 893 . 77 GLY H H 8.41 . 1 894 . 77 GLY HA2 H 3.85 . 1 895 . 77 GLY HA3 H 3.85 . 1 896 . 77 GLY C C 173.75 . 1 897 . 77 GLY CA C 45.09 . 1 898 . 77 GLY N N 111.15 . 1 899 . 78 PHE H H 8.04 . 1 900 . 78 PHE HA H 4.48 . 1 901 . 78 PHE HB2 H 2.99 . 2 902 . 78 PHE HB3 H 2.9 . 2 903 . 78 PHE C C 175.49 . 1 904 . 78 PHE CA C 57.72 . 1 905 . 78 PHE CB C 39.43 . 1 906 . 78 PHE N N 120.38 . 1 907 . 79 GLN H H 8.23 . 1 908 . 79 GLN HA H 4.16 . 1 909 . 79 GLN HB2 H 1.85 . 2 910 . 79 GLN HB3 H 1.77 . 2 911 . 79 GLN HG2 H 2.14 . 1 912 . 79 GLN HG3 H 2.14 . 1 913 . 79 GLN C C 175.15 . 1 914 . 79 GLN CA C 55.59 . 1 915 . 79 GLN CB C 29.15 . 1 916 . 79 GLN CG C 33.59 . 1 917 . 79 GLN N N 121.96 . 1 918 . 80 HIS H H 8.21 . 1 919 . 80 HIS HA H 4.56 . 1 920 . 80 HIS C C 174.34 . 1 921 . 80 HIS CA C 55.6 . 1 922 . 80 HIS CB C 29.85 . 1 923 . 80 HIS N N 120.47 . 1 924 . 81 HIS H H 8.14 . 1 925 . 81 HIS HA H 4.38 . 1 926 . 81 HIS HB2 H 3.16 . 2 927 . 81 HIS HB3 H 3.04 . 2 928 . 81 HIS C C 178.78 . 1 929 . 81 HIS CA C 57.06 . 1 930 . 81 HIS CB C 29.75 . 1 931 . 81 HIS N N 125.82 . 1 stop_ save_