data_7312 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C and 15N resonance assignment of the VHS domain of human STAM1 protein ; _BMRB_accession_number 7312 _BMRB_flat_file_name bmr7312.str _Entry_type new _Submission_date 2006-10-02 _Accession_date 2006-10-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Bong-jin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 433 "13C chemical shifts" 453 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-19 update BMRB 'added related entry loop' 2009-10-20 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17065 'Tandem ubiquitin binding domains of STAM1' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification of a novel ubiquitin binding site of STAM1 VHS domain by NMR spectroscopy' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19111546 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hong Yoon-Hun . . 2 Ahn Hee-Chul . . 3 Lim Jongsoo . . 4 Kim Hong-Man . . 5 Ji Hye-Young . . 6 Lee Seunga . . 7 Kim Ji-Hun . . 8 Park Eun-Young . . 9 Song Hyun-Kyu . . 10 Lee Bong-Jin . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 583 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 287 _Page_last 292 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VHS domain monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VHS domain monomer' $VHS_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state unknown _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VHS_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'signal transducing adaptor molecule 1' _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; PLFATNPFDQDVEKATSEMN TAEDWGLILDICDKVGQSRT GPKDCLRSIMRRVNHKDPHV AMQALTLLGACVSNCGKIFH LEVCSRDFASEVSNVLNKGH PKVCEKLKALMVEWTDEFKN DPQLSLISAMIKNLKEQG ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 LEU 3 PHE 4 ALA 5 THR 6 ASN 7 PRO 8 PHE 9 ASP 10 GLN 11 ASP 12 VAL 13 GLU 14 LYS 15 ALA 16 THR 17 SER 18 GLU 19 MET 20 ASN 21 THR 22 ALA 23 GLU 24 ASP 25 TRP 26 GLY 27 LEU 28 ILE 29 LEU 30 ASP 31 ILE 32 CYS 33 ASP 34 LYS 35 VAL 36 GLY 37 GLN 38 SER 39 ARG 40 THR 41 GLY 42 PRO 43 LYS 44 ASP 45 CYS 46 LEU 47 ARG 48 SER 49 ILE 50 MET 51 ARG 52 ARG 53 VAL 54 ASN 55 HIS 56 LYS 57 ASP 58 PRO 59 HIS 60 VAL 61 ALA 62 MET 63 GLN 64 ALA 65 LEU 66 THR 67 LEU 68 LEU 69 GLY 70 ALA 71 CYS 72 VAL 73 SER 74 ASN 75 CYS 76 GLY 77 LYS 78 ILE 79 PHE 80 HIS 81 LEU 82 GLU 83 VAL 84 CYS 85 SER 86 ARG 87 ASP 88 PHE 89 ALA 90 SER 91 GLU 92 VAL 93 SER 94 ASN 95 VAL 96 LEU 97 ASN 98 LYS 99 GLY 100 HIS 101 PRO 102 LYS 103 VAL 104 CYS 105 GLU 106 LYS 107 LEU 108 LYS 109 ALA 110 LEU 111 MET 112 VAL 113 GLU 114 TRP 115 THR 116 ASP 117 GLU 118 PHE 119 LYS 120 ASN 121 ASP 122 PRO 123 GLN 124 LEU 125 SER 126 LEU 127 ILE 128 SER 129 ALA 130 MET 131 ILE 132 LYS 133 ASN 134 LEU 135 LYS 136 GLU 137 GLN 138 GLY 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 16763 VHS 100.00 138 100.00 100.00 3.65e-97 BMRB 17059 STAM1 100.00 178 100.00 100.00 8.43e-98 BMRB 17065 Tandem_ubiquitin_binding_domains_of_STAM1 100.00 191 100.00 100.00 5.76e-98 PDB 3LDZ "Crystal Structure Of Human Stam1 Vhs Domain In Complex With Ubiquitin" 98.55 140 100.00 100.00 2.06e-95 DBJ BAE26170 "unnamed protein product [Mus musculus]" 100.00 553 99.28 100.00 2.41e-92 DBJ BAE28168 "unnamed protein product [Mus musculus]" 100.00 462 99.28 100.00 1.04e-95 DBJ BAE34187 "unnamed protein product [Mus musculus]" 100.00 548 99.28 100.00 2.49e-92 DBJ BAE37536 "unnamed protein product [Mus musculus]" 100.00 548 99.28 100.00 2.49e-92 DBJ BAE40949 "unnamed protein product [Mus musculus]" 100.00 548 99.28 100.00 2.49e-92 GB AAC50734 "STAM [Homo sapiens]" 100.00 540 100.00 100.00 1.23e-92 GB AAC52840 "STAM [Mus musculus]" 100.00 548 99.28 100.00 2.49e-92 GB AAH30586 "STAM protein [Homo sapiens]" 100.00 403 100.00 100.00 5.32e-96 GB AAH44666 "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 1 [Mus musculus]" 100.00 548 99.28 100.00 2.49e-92 GB AAH55326 "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 1 [Mus musculus]" 100.00 548 99.28 100.00 2.49e-92 REF NP_001070310 "signal transducing adapter molecule 1 [Bos taurus]" 100.00 534 100.00 100.00 7.94e-93 REF NP_001102591 "signal transducing adapter molecule 1 [Rattus norvegicus]" 100.00 547 99.28 100.00 1.82e-92 REF NP_003464 "signal transducing adapter molecule 1 [Homo sapiens]" 100.00 540 100.00 100.00 1.23e-92 REF NP_035614 "signal transducing adapter molecule 1 [Mus musculus]" 100.00 548 99.28 100.00 2.49e-92 REF XP_001094352 "PREDICTED: signal transducing adapter molecule 1 [Macaca mulatta]" 64.49 490 100.00 100.00 1.01e-53 SP P70297 "RecName: Full=Signal transducing adapter molecule 1; Short=STAM-1 [Mus musculus]" 100.00 548 99.28 100.00 2.49e-92 SP Q92783 "RecName: Full=Signal transducing adapter molecule 1; Short=STAM-1 [Homo sapiens]" 100.00 540 100.00 100.00 1.23e-92 TPG DAA23567 "TPA: signal transducing adaptor molecule 1 [Bos taurus]" 100.00 534 100.00 100.00 7.94e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VHS_domain 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 $VHS_domain 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $VHS_domain . mM 0.3 0.6 '[U-99% 13C; U-98% 15N; U-70% 2H]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_600_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details 'with cryoprobe' save_ save_900_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_[15N,_1H]-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N, 1H]-HSQC' _Sample_label $sample_1 save_ save_2D_[15N,_1H]-TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N, 1H]-TROSY' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_TROSY-HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CO)CACB _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_15N-edited_NOESY-TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-TROSY' _Sample_label $sample_1 save_ save_3D_15N-edited_TOCSY-TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY-TROSY' _Sample_label $sample_1 save_ save_3D_13C-edited_NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_13C-edited_TOCSY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited TOCSY-HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_[15N,_1H]-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N, 1H]-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_[15N,_1H]-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N, 1H]-TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_TROSY-HN(CO)CACB _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HBHA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-edited_NOESY-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-edited_TOCSY-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY-TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-edited_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-edited_TOCSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH temperature 298 0.2 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 H 1 'methyl protons' ppm 0.036 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.044 . indirect . . . 0.25144953 DSS N 15 'methyl protons' ppm 2.7 . 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 . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'VHS domain monomer' _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 1 PRO HA H 4.303 0 1 2 1 1 PRO HB2 H 2.115 0 1 3 1 1 PRO HB3 H 1.692 0 1 4 1 1 PRO C C 181.43 0 1 5 1 1 PRO CA C 63.159 0 1 6 1 1 PRO CB C 31.708 0 1 7 2 2 LEU H H 8.001 0 1 8 2 2 LEU HA H 4.113 0 1 9 2 2 LEU HB2 H 1.305 0 1 10 2 2 LEU C C 176.813 0 1 11 2 2 LEU CA C 55.147 0 1 12 2 2 LEU CB C 41.445 0 1 13 2 2 LEU N N 121.906 0 1 14 3 3 PHE H H 7.823 0 1 15 3 3 PHE HA H 4.525 0 1 16 3 3 PHE HB2 H 2.983 0 1 17 3 3 PHE C C 175.042 0 1 18 3 3 PHE CA C 56.964 0 1 19 3 3 PHE CB C 39.47 0 1 20 3 3 PHE N N 120.174 0 1 21 4 4 ALA H H 8.015 0 1 22 4 4 ALA HA H 4.3 0 1 23 4 4 ALA HB H 1.284 0 2 24 4 4 ALA C C 177.362 0 1 25 4 4 ALA CA C 51.984 0 1 26 4 4 ALA CB C 19.32 0 1 27 4 4 ALA N N 125.898 0 1 28 5 5 THR H H 8.057 0 1 29 5 5 THR HA H 4.075 0 1 30 5 5 THR C C 173.846 0 1 31 5 5 THR CA C 61.93 0 1 32 5 5 THR CB C 69.533 0 1 33 5 5 THR N N 115.664 0 1 34 6 6 ASN H H 8.586 0 1 35 6 6 ASN HA H 4.949 0 1 36 6 6 ASN HB2 H 3.072 0 1 37 6 6 ASN HB3 H 2.673 0 1 38 6 6 ASN C C 175.379 0 1 39 6 6 ASN CA C 50.466 0 1 40 6 6 ASN CB C 38.975 0 1 41 6 6 ASN N N 125.622 0 1 42 7 7 PRO HA H 4.291 0 1 43 7 7 PRO HB2 H 2.195 0 1 44 7 7 PRO HB3 H 1.7 0 1 45 7 7 PRO C C 177.242 0 1 46 7 7 PRO CA C 64.028 0 1 47 7 7 PRO CB C 31.994 0 1 48 8 8 PHE H H 8.918 0 1 49 8 8 PHE HA H 4.203 0 1 50 8 8 PHE HB2 H 3.06 0 1 51 8 8 PHE C C 175.707 0 1 52 8 8 PHE CA C 60.382 0 1 53 8 8 PHE CB C 39.191 0 1 54 8 8 PHE N N 117.763 0 1 55 9 9 ASP H H 7.31 0 1 56 9 9 ASP HA H 4.042 0 1 57 9 9 ASP HB2 H 2.656 0 1 58 9 9 ASP C C 178.301 0 1 59 9 9 ASP CA C 58.622 0 1 60 9 9 ASP CB C 39.398 0 1 61 9 9 ASP N N 119.929 0 1 62 10 10 GLN H H 8.344 0 1 63 10 10 GLN HA H 3.971 0 1 64 10 10 GLN HB2 H 2.044 0 1 65 10 10 GLN C C 178.754 0 1 66 10 10 GLN CA C 59.727 0 1 67 10 10 GLN CB C 27.689 0 1 68 10 10 GLN N N 119.572 0 1 69 11 11 ASP H H 8.436 0 1 70 11 11 ASP HA H 4.421 0 1 71 11 11 ASP HB2 H 2.386 0 1 72 11 11 ASP C C 178.456 0 1 73 11 11 ASP CA C 57.239 0 1 74 11 11 ASP CB C 40.136 0 1 75 11 11 ASP N N 121.865 0 1 76 12 12 VAL H H 8.654 0 1 77 12 12 VAL HA H 3.31 0 1 78 12 12 VAL HB H 2.168 0 1 79 12 12 VAL C C 179.658 0 1 80 12 12 VAL CA C 66.782 0 1 81 12 12 VAL CB C 31.302 0 1 82 12 12 VAL N N 120.969 0 1 83 13 13 GLU H H 8.598 0 1 84 13 13 GLU HA H 3.335 0 1 85 13 13 GLU HB2 H 2.014 0 1 86 13 13 GLU C C 178.072 0 1 87 13 13 GLU CA C 60.582 0 1 88 13 13 GLU CB C 28.165 0 1 89 13 13 GLU N N 123.796 0 1 90 14 14 LYS H H 7.48 0 1 91 14 14 LYS HA H 3.98 0 1 92 14 14 LYS HB2 H 1.905 0 1 93 14 14 LYS C C 179.96 0 1 94 14 14 LYS CA C 59.588 0 1 95 14 14 LYS CB C 31.869 0 1 96 14 14 LYS N N 119.912 0 1 97 15 15 ALA H H 8.252 0 1 98 15 15 ALA HA H 4.059 0 1 99 15 15 ALA HB H 1.256 0 2 100 15 15 ALA C C 176.574 0 1 101 15 15 ALA CA C 53.528 0 1 102 15 15 ALA CB C 18.476 0 1 103 15 15 ALA N N 120.472 0 1 104 16 16 THR H H 7.144 0 1 105 16 16 THR HA H 4.27 0 1 106 16 16 THR HB H 4.567 0 1 107 16 16 THR HG2 H 0.793 0 2 108 16 16 THR C C 172.607 0 1 109 16 16 THR CA C 58.851 0 1 110 16 16 THR CB C 69.258 0 1 111 16 16 THR CG2 C 20.487 0 1 112 16 16 THR N N 105.093 0 1 113 17 17 SER H H 6.324 0 1 114 17 17 SER HA H 3.862 0 1 115 17 17 SER HB2 H 3.544 0 1 116 17 17 SER C C 177.333 0 1 117 17 17 SER CA C 58.822 0 1 118 17 17 SER CB C 63.256 0 1 119 17 17 SER N N 116.426 0 1 120 18 18 GLU H H 9.894 0 1 121 18 18 GLU HA H 3.796 0 1 122 18 18 GLU HB2 H 2 0 1 123 18 18 GLU C C 176.31 0 1 124 18 18 GLU CA C 58.77 0 1 125 18 18 GLU CB C 28.376 0 1 126 18 18 GLU N N 130.55 0 1 127 19 19 MET H H 7.997 0 1 128 19 19 MET HA H 4.395 0 1 129 19 19 MET HB2 H 2.544 0 1 130 19 19 MET C C 177.224 0 1 131 19 19 MET CA C 54.721 0 1 132 19 19 MET CB C 31.759 0 1 133 19 19 MET N N 116.202 0 1 134 20 20 ASN H H 7.387 0 1 135 20 20 ASN C C 177.169 0 1 136 20 20 ASN CA C 53.468 0 1 137 20 20 ASN CB C 37.824 0 1 138 20 20 ASN N N 119.298 0 1 139 21 21 THR HA H 4.341 0 1 140 21 21 THR HB H 3.027 0 1 141 21 21 THR HG2 H 1.205 0 2 142 21 21 THR C C 173.803 0 1 143 21 21 THR CA C 61.822 0 1 144 21 21 THR CB C 68.674 0 1 145 21 21 THR CG2 C 21.549 0 1 146 22 22 ALA H H 7.643 0 1 147 22 22 ALA HA H 4.448 0 1 148 22 22 ALA HB H 1.398 0 2 149 22 22 ALA C C 176.344 0 1 150 22 22 ALA CA C 51.007 0 1 151 22 22 ALA CB C 21.392 0 1 152 22 22 ALA N N 124.675 0 1 153 23 23 GLU H H 8.661 0 1 154 23 23 GLU HA H 4.443 0 1 155 23 23 GLU HB2 H 1.833 0 1 156 23 23 GLU HB3 H 1.204 0 1 157 23 23 GLU C C 175.926 0 1 158 23 23 GLU CA C 56.761 0 1 159 23 23 GLU CB C 29.576 0 1 160 23 23 GLU N N 120.845 0 1 161 24 24 ASP H H 8.696 0 1 162 24 24 ASP HA H 4.761 0 1 163 24 24 ASP HB2 H 2.883 0 1 164 24 24 ASP HB3 H 2.394 0 1 165 24 24 ASP C C 175.965 0 1 166 24 24 ASP CA C 51.711 0 1 167 24 24 ASP CB C 39.899 0 1 168 24 24 ASP N N 124.731 0 1 169 25 25 TRP H H 8.501 0 1 170 25 25 TRP HA H 4.074 0 1 171 25 25 TRP HB2 H 3.254 0 1 172 25 25 TRP C C 178.102 0 1 173 25 25 TRP CA C 60.917 0 1 174 25 25 TRP CB C 28.315 0 1 175 25 25 TRP N N 125.253 0 1 176 26 26 GLY H H 8.353 0 1 177 26 26 GLY HA2 H 3.797 0 1 178 26 26 GLY C C 176.146 0 1 179 26 26 GLY CA C 47.043 0 1 180 26 26 GLY N N 108.874 0 1 181 27 27 LEU H H 7.264 0 1 182 27 27 LEU HA H 4.123 0 1 183 27 27 LEU HB2 H 1.536 0 1 184 27 27 LEU C C 178.817 0 1 185 27 27 LEU CA C 56.895 0 1 186 27 27 LEU CB C 40.985 0 1 187 27 27 LEU N N 124.195 0 1 188 28 28 ILE H H 7.862 0 1 189 28 28 ILE HA H 3.208 0 1 190 28 28 ILE HB H 1.507 0 1 191 28 28 ILE HG12 H 0.509 0 1 192 28 28 ILE HG13 H 0.435 0 1 193 28 28 ILE HD1 H -0.27 0 2 194 28 28 ILE C C 177.957 0 1 195 28 28 ILE CA C 66.164 0 1 196 28 28 ILE CB C 37.314 0 1 197 28 28 ILE CG1 C 29.181 0 1 198 28 28 ILE CG2 C 16.695 0 1 199 28 28 ILE CD1 C 11.07 0 1 200 28 28 ILE N N 119.367 0 1 201 29 29 LEU H H 8.221 0 1 202 29 29 LEU C C 179.617 0 1 203 29 29 LEU CA C 57.855 0 1 204 29 29 LEU CB C 39.674 0 1 205 29 29 LEU N N 119.205 0 1 206 30 30 ASP H H 7.753 0 1 207 30 30 ASP HA H 4.366 0 1 208 30 30 ASP C C 179.177 0 1 209 30 30 ASP CA C 57.552 0 1 210 30 30 ASP CB C 40.306 0 1 211 30 30 ASP N N 122.627 0 1 212 31 31 ILE H H 8.141 0 1 213 31 31 ILE HA H 3.527 0 1 214 31 31 ILE HB H 2.032 0 1 215 31 31 ILE HG12 H 0.89 0 1 216 31 31 ILE HG13 H 0.812 0 1 217 31 31 ILE HD1 H 0.624 0 2 218 31 31 ILE C C 177.777 0 1 219 31 31 ILE CA C 66.288 0 1 220 31 31 ILE CB C 36.986 0 1 221 31 31 ILE CG1 C 29.783 0 1 222 31 31 ILE CG2 C 17.547 0 1 223 31 31 ILE CD1 C 14.445 0 1 224 31 31 ILE N N 122.289 0 1 225 32 32 CYS H H 7.799 0 1 226 32 32 CYS HA H 4.181 0 1 227 32 32 CYS HB2 H 1.34 0 1 228 32 32 CYS C C 177.558 0 1 229 32 32 CYS CA C 63.885 0 1 230 32 32 CYS CB C 26.461 0 1 231 32 32 CYS N N 116.518 0 1 232 33 33 ASP H H 8.009 0 1 233 33 33 ASP HA H 4.186 0 1 234 33 33 ASP HB2 H 2.738 0 1 235 33 33 ASP C C 178.776 0 1 236 33 33 ASP CA C 57.439 0 1 237 33 33 ASP CB C 38.682 0 1 238 33 33 ASP N N 120.745 0 1 239 34 34 LYS H H 8.052 0 1 240 34 34 LYS HA H 3.889 0 1 241 34 34 LYS C C 180.268 0 1 242 34 34 LYS CA C 59.508 0 1 243 34 34 LYS CB C 32.502 0 1 244 34 34 LYS N N 121.428 0 1 245 35 35 VAL H H 7.994 0 1 246 35 35 VAL HA H 3.434 0 1 247 35 35 VAL HB H 2.398 0 1 248 35 35 VAL C C 176.284 0 1 249 35 35 VAL CA C 67.519 0 1 250 35 35 VAL CB C 31.673 0 1 251 35 35 VAL N N 122.618 0 1 252 36 36 GLY H H 7.258 0 1 253 36 36 GLY HA2 H 4.205 0 1 254 36 36 GLY C C 175.459 0 1 255 36 36 GLY CA C 45.352 0 1 256 36 36 GLY N N 101.24 0 1 257 37 37 GLN H H 7.456 0 1 258 37 37 GLN HA H 4.317 0 1 259 37 37 GLN HB2 H 2.328 0 1 260 37 37 GLN HB3 H 1.935 0 1 261 37 37 GLN C C 175.261 0 1 262 37 37 GLN CA C 55.824 0 1 263 37 37 GLN CB C 28.291 0 1 264 37 37 GLN N N 116.963 0 1 265 38 38 SER H H 7.28 0 1 266 38 38 SER HA H 4.878 0 1 267 38 38 SER HB2 H 3.686 0 1 268 38 38 SER C C 175.998 0 1 269 38 38 SER CA C 56.163 0 1 270 38 38 SER CB C 65.049 0 1 271 38 38 SER N N 111.511 0 1 272 39 39 ARG HA H 4.194 0 1 273 39 39 ARG HB2 H 1.948 0 1 274 39 39 ARG C C 178.164 0 1 275 39 39 ARG CA C 58.814 0 1 276 39 39 ARG CB C 29.663 0 1 277 40 40 THR H H 7.715 0 1 278 40 40 THR HA H 4.548 0 1 279 40 40 THR HB H 4.617 0 1 280 40 40 THR HG2 H 1.134 0 2 281 40 40 THR C C 173.854 0 1 282 40 40 THR CA C 61.091 0 1 283 40 40 THR CB C 67.656 0 1 284 40 40 THR CG2 C 21.256 0 1 285 40 40 THR N N 107.519 0 1 286 41 41 GLY H H 7.631 0 1 287 41 41 GLY HA2 H 4.098 0 1 288 41 41 GLY C C 172.717 0 1 289 41 41 GLY CA C 48.197 0 1 290 41 41 GLY N N 110.765 0 1 291 42 42 PRO HA H 3.91 0 1 292 42 42 PRO HB2 H 1.927 0 1 293 42 42 PRO C C 176.621 0 1 294 42 42 PRO CA C 66.623 0 1 295 42 42 PRO CB C 32.062 0 1 296 43 43 LYS H H 7.459 0 1 297 43 43 LYS HA H 3.565 0 1 298 43 43 LYS HB2 H 2.228 0 1 299 43 43 LYS C C 178.398 0 1 300 43 43 LYS CA C 59.601 0 1 301 43 43 LYS CB C 32.027 0 1 302 43 43 LYS CG C 24.024 0 1 303 43 43 LYS CD C 28.558 0 1 304 43 43 LYS N N 117.32 0 1 305 44 44 ASP H H 8.511 0 1 306 44 44 ASP HA H 4.261 0 1 307 44 44 ASP HB2 H 2.805 0 1 308 44 44 ASP C C 178.582 0 1 309 44 44 ASP CA C 57.36 0 1 310 44 44 ASP CB C 39.441 0 1 311 44 44 ASP N N 119.883 0 1 312 45 45 CYS H H 8.627 0 1 313 45 45 CYS HA H 3.179 0 1 314 45 45 CYS HB2 H 2.4 0 1 315 45 45 CYS C C 176.371 0 1 316 45 45 CYS CA C 62.214 0 1 317 45 45 CYS CB C 26.188 0 1 318 45 45 CYS N N 122.157 0 1 319 46 46 LEU H H 8.045 0 1 320 46 46 LEU HA H 3.894 0 1 321 46 46 LEU HB2 H 1.833 0 1 322 46 46 LEU CA C 62.192 0 1 323 46 46 LEU CB C 40.585 0 1 324 46 46 LEU N N 119.233 0 1 325 47 47 ARG H H 8.101 0 1 326 47 47 ARG HA H 3.936 0 1 327 47 47 ARG HB2 H 1.827 0 1 328 47 47 ARG C C 179.649 0 1 329 47 47 ARG CA C 59.333 0 1 330 47 47 ARG CB C 30.648 0 1 331 47 47 ARG N N 117.502 0 1 332 48 48 SER H H 7.525 0 1 333 48 48 SER HA H 3.965 0 1 334 48 48 SER C C 178.803 0 1 335 48 48 SER CA C 62.177 0 1 336 48 48 SER CB C 64.018 0 1 337 48 48 SER N N 114.775 0 1 338 49 49 ILE H H 8.784 0 1 339 49 49 ILE HA H 3.401 0 1 340 49 49 ILE HB H 1.94 0 1 341 49 49 ILE C C 179.531 0 1 342 49 49 ILE CA C 66.368 0 1 343 49 49 ILE CB C 38.632 0 1 344 49 49 ILE N N 119.789 0 1 345 50 50 MET H H 8.735 0 1 346 50 50 MET HA H 4.623 0 1 347 50 50 MET HB2 H 1.913 0 1 348 50 50 MET C C 179.743 0 1 349 50 50 MET CA C 56.318 0 1 350 50 50 MET CB C 27.982 0 1 351 50 50 MET N N 116.884 0 1 352 51 51 ARG H H 7.498 0 1 353 51 51 ARG HA H 4.15 0 1 354 51 51 ARG HB2 H 1.914 0 1 355 51 51 ARG C C 179.491 0 1 356 51 51 ARG CA C 59.669 0 1 357 51 51 ARG CB C 30.067 0 1 358 51 51 ARG N N 120.681 0 1 359 52 52 ARG H H 7.288 0 1 360 52 52 ARG HA H 4.186 0 1 361 52 52 ARG HB2 H 1.912 0 1 362 52 52 ARG C C 178.247 0 1 363 52 52 ARG CA C 55.354 0 1 364 52 52 ARG CB C 27.765 0 1 365 52 52 ARG N N 117.89 0 1 366 53 53 VAL H H 8.322 0 1 367 53 53 VAL HA H 3.716 0 1 368 53 53 VAL HB H 2.222 0 1 369 53 53 VAL HG1 H 1.097 0 2 370 53 53 VAL HG2 H 0.904 0 2 371 53 53 VAL C C 174.949 0 1 372 53 53 VAL CA C 65.843 0 1 373 53 53 VAL CB C 31.093 0 1 374 53 53 VAL CG1 C 24.388 0 1 375 53 53 VAL CG2 C 22.552 0 1 376 53 53 VAL N N 121.737 0 1 377 54 54 ASN H H 6.984 0 1 378 54 54 ASN HA H 4.498 0 1 379 54 54 ASN HB2 H 2.847 0 1 380 54 54 ASN HB3 H 2.531 0 1 381 54 54 ASN C C 173.867 0 1 382 54 54 ASN CA C 53.498 0 1 383 54 54 ASN CB C 39.96 0 1 384 54 54 ASN N N 113.75 0 1 385 55 55 HIS H H 7.338 0 1 386 55 55 HIS HA H 4.049 0 1 387 55 55 HIS HB2 H 3.247 0 1 388 55 55 HIS HB3 H 2.897 0 1 389 55 55 HIS C C 174.955 0 1 390 55 55 HIS CA C 58.838 0 1 391 55 55 HIS CB C 32.642 0 1 392 55 55 HIS N N 124.054 0 1 393 56 56 LYS H H 7.772 0 1 394 56 56 LYS HA H 4.081 0 1 395 56 56 LYS HB2 H 1.731 0 1 396 56 56 LYS C C 177.584 0 1 397 56 56 LYS CA C 58.235 0 1 398 56 56 LYS CB C 32.256 0 1 399 56 56 LYS CG C 23.944 0 1 400 56 56 LYS CD C 29.08 0 1 401 56 56 LYS N N 124.684 0 1 402 57 57 ASP H H 11.84 0 1 403 57 57 ASP HA H 5.074 0 1 404 57 57 ASP HB2 H 2.796 0 1 405 57 57 ASP C C 175.613 0 1 406 57 57 ASP CA C 51.022 0 1 407 57 57 ASP CB C 41.48 0 1 408 57 57 ASP N N 129.726 0 1 409 58 58 PRO HA H 4.249 0 1 410 58 58 PRO HB2 H 1.65 0 1 411 58 58 PRO C C 177.721 0 1 412 58 58 PRO CA C 64.303 0 1 413 58 58 PRO CB C 31.052 0 1 414 59 59 HIS H H 8.652 0 1 415 59 59 HIS HA H 4.537 0 1 416 59 59 HIS HB2 H 3.187 0 1 417 59 59 HIS C C 179.714 0 1 418 59 59 HIS CA C 57.836 0 1 419 59 59 HIS CB C 30.201 0 1 420 59 59 HIS N N 118.417 0 1 421 60 60 VAL H H 7.117 0 1 422 60 60 VAL HA H 3.376 0 1 423 60 60 VAL HB H 2.05 0 1 424 60 60 VAL C C 177.888 0 1 425 60 60 VAL CA C 65.376 0 1 426 60 60 VAL CB C 31.423 0 1 427 60 60 VAL N N 122.385 0 1 428 61 61 ALA H H 7.521 0 1 429 61 61 ALA HA H 4.176 0 1 430 61 61 ALA HB H 1.616 0 2 431 61 61 ALA C C 180.546 0 1 432 61 61 ALA CA C 55.421 0 1 433 61 61 ALA CB C 20.353 0 1 434 61 61 ALA N N 122.206 0 1 435 62 62 MET H H 8.808 0 1 436 62 62 MET HA H 4.252 0 1 437 62 62 MET HB2 H 2.166 0 1 438 62 62 MET C C 180.583 0 1 439 62 62 MET CA C 57.723 0 1 440 62 62 MET CB C 30.903 0 1 441 62 62 MET N N 115.538 0 1 442 63 63 GLN H H 7.125 0 1 443 63 63 GLN HA H 4.078 0 1 444 63 63 GLN HB2 H 2.007 0 1 445 63 63 GLN C C 179.082 0 1 446 63 63 GLN CA C 59.052 0 1 447 63 63 GLN CB C 31.783 0 1 448 63 63 GLN N N 119.317 0 1 449 64 64 ALA H H 8.394 0 1 450 64 64 ALA HA H 3.815 0 1 451 64 64 ALA HB H 1.493 0 2 452 64 64 ALA C C 178.733 0 1 453 64 64 ALA CA C 54.95 0 1 454 64 64 ALA CB C 18.488 0 1 455 64 64 ALA N N 124.451 0 1 456 65 65 LEU H H 8.095 0 1 457 65 65 LEU C C 179.066 0 1 458 65 65 LEU CA C 57.393 0 1 459 65 65 LEU CB C 40.893 0 1 460 65 65 LEU N N 119.455 0 1 461 66 66 THR H H 7.889 0 1 462 66 66 THR HA H 4.337 0 1 463 66 66 THR C C 177.216 0 1 464 66 66 THR CA C 66.392 0 1 465 66 66 THR CB C 67.618 0 1 466 66 66 THR N N 119.93 0 1 467 67 67 LEU H H 7.623 0 1 468 67 67 LEU HA H 3.841 0 1 469 67 67 LEU HB2 H 1.96 0 1 470 67 67 LEU HB3 H 1.331 0 1 471 67 67 LEU C C 177.023 0 1 472 67 67 LEU CA C 57.974 0 1 473 67 67 LEU CB C 40.62 0 1 474 67 67 LEU N N 124.453 0 1 475 68 68 LEU H H 8.773 0 1 476 68 68 LEU HA H 3.984 0 1 477 68 68 LEU HB2 H 2.39 0 1 478 68 68 LEU HB3 H 1.721 0 1 479 68 68 LEU C C 178.586 0 1 480 68 68 LEU CA C 58.466 0 1 481 68 68 LEU CB C 41.289 0 1 482 68 68 LEU N N 121.733 0 1 483 69 69 GLY H H 8.755 0 1 484 69 69 GLY HA2 H 4.173 0 1 485 69 69 GLY C C 176.299 0 1 486 69 69 GLY CA C 47.495 0 1 487 69 69 GLY N N 104.486 0 1 488 70 70 ALA H H 8.171 0 1 489 70 70 ALA HA H 4.231 0 1 490 70 70 ALA HB H 1.433 0 2 491 70 70 ALA C C 180.071 0 1 492 70 70 ALA CA C 54.875 0 1 493 70 70 ALA CB C 18.129 0 1 494 70 70 ALA N N 126.13 0 1 495 71 71 CYS H H 8.398 0 1 496 71 71 CYS HA H 4.269 0 1 497 71 71 CYS HB2 H 2.508 0 1 498 71 71 CYS C C 177.584 0 1 499 71 71 CYS CA C 62.556 0 1 500 71 71 CYS CB C 26.613 0 1 501 71 71 CYS N N 119.242 0 1 502 72 72 VAL H H 7.934 0 1 503 72 72 VAL HA H 3.393 0 1 504 72 72 VAL HB H 1.897 0 1 505 72 72 VAL C C 178.324 0 1 506 72 72 VAL CA C 67.926 0 1 507 72 72 VAL CB C 31.098 0 1 508 72 72 VAL N N 120.861 0 1 509 73 73 SER H H 8.213 0 1 510 73 73 SER HA H 4.357 0 1 511 73 73 SER HB2 H 3.882 0 1 512 73 73 SER C C 176.218 0 1 513 73 73 SER CA C 61.976 0 1 514 73 73 SER CB C 63.076 0 1 515 73 73 SER N N 115.02 0 1 516 74 74 ASN H H 8.132 0 1 517 74 74 ASN HA H 4.912 0 1 518 74 74 ASN HB2 H 2.742 0 1 519 74 74 ASN C C 177.5 0 1 520 74 74 ASN CA C 55.196 0 1 521 74 74 ASN CB C 40.839 0 1 522 74 74 ASN N N 115.401 0 1 523 75 75 CYS H H 8.317 0 1 524 75 75 CYS HA H 4.268 0 1 525 75 75 CYS HB2 H 3.079 0 1 526 75 75 CYS HB3 H 2.468 0 1 527 75 75 CYS C C 175.158 0 1 528 75 75 CYS CA C 60.972 0 1 529 75 75 CYS CB C 28.72 0 1 530 75 75 CYS N N 116.265 0 1 531 76 76 GLY H H 7.761 0 1 532 76 76 GLY HA2 H 3.919 0 1 533 76 76 GLY HA3 H 3.822 0 1 534 76 76 GLY C C 172.804 0 1 535 76 76 GLY CA C 44.285 0 1 536 76 76 GLY N N 106.553 0 1 537 77 77 LYS H H 8.048 0 1 538 77 77 LYS HA H 3.712 0 1 539 77 77 LYS HB2 H 1.777 0 1 540 77 77 LYS HG2 H 1.696 0 1 541 77 77 LYS C C 177.006 0 1 542 77 77 LYS CA C 58.617 0 1 543 77 77 LYS CB C 31.463 0 1 544 77 77 LYS CG C 25.109 0 1 545 77 77 LYS CD C 28.228 0 1 546 77 77 LYS CE C 41.729 0 1 547 77 77 LYS N N 119.636 0 1 548 78 78 ILE H H 8.158 0 1 549 78 78 ILE HA H 3.873 0 1 550 78 78 ILE HB H 1.844 0 1 551 78 78 ILE HG12 H 1.309 0 1 552 78 78 ILE HG13 H 0.884 0 1 553 78 78 ILE HD1 H 0.808 0 2 554 78 78 ILE C C 176.805 0 1 555 78 78 ILE CA C 63.625 0 1 556 78 78 ILE CB C 37 0 1 557 78 78 ILE CG1 C 27.371 0 1 558 78 78 ILE CG2 C 17.469 0 1 559 78 78 ILE CD1 C 13.32 0 1 560 78 78 ILE N N 115.168 0 1 561 79 79 PHE H H 7.232 0 1 562 79 79 PHE HA H 4.006 0 1 563 79 79 PHE HB2 H 2.855 0 1 564 79 79 PHE HB3 H 2.488 0 1 565 79 79 PHE C C 176.823 0 1 566 79 79 PHE CA C 60.617 0 1 567 79 79 PHE CB C 41.567 0 1 568 79 79 PHE N N 121.804 0 1 569 80 80 HIS H H 7.753 0 1 570 80 80 HIS HA H 4.861 0 1 571 80 80 HIS HB2 H 2.765 0 1 572 80 80 HIS C C 177.309 0 1 573 80 80 HIS CA C 57.525 0 1 574 80 80 HIS CB C 31.404 0 1 575 80 80 HIS N N 122.418 0 1 576 81 81 LEU H H 8.284 0 1 577 81 81 LEU HA H 3.565 0 1 578 81 81 LEU HB2 H 1.591 0 1 579 81 81 LEU HB3 H 1.29 0 1 580 81 81 LEU HG H 0.804 0 1 581 81 81 LEU C C 178.781 0 1 582 81 81 LEU CA C 57.504 0 1 583 81 81 LEU CB C 41.693 0 1 584 81 81 LEU CG C 26.2 0 1 585 81 81 LEU N N 116.949 0 1 586 82 82 GLU H H 6.769 0 1 587 82 82 GLU HA H 3.915 0 1 588 82 82 GLU C C 178.809 0 1 589 82 82 GLU CA C 56.959 0 1 590 82 82 GLU CB C 28.008 0 1 591 82 82 GLU N N 116.569 0 1 592 83 83 VAL H H 6.868 0 1 593 83 83 VAL HA H 2.982 0 1 594 83 83 VAL HB H 1.686 0 1 595 83 83 VAL HG1 H 0.318 0 2 596 83 83 VAL HG2 H 0.179 0 2 597 83 83 VAL C C 174.786 0 1 598 83 83 VAL CA C 63.786 0 1 599 83 83 VAL CB C 30.701 0 1 600 83 83 VAL CG1 C 21.727 0 1 601 83 83 VAL CG2 C 20.811 0 1 602 83 83 VAL N N 118.339 0 1 603 84 84 CYS H H 6.971 0 1 604 84 84 CYS HA H 4.461 0 1 605 84 84 CYS HB2 H 3.116 0 1 606 84 84 CYS C C 173.9 0 1 607 84 84 CYS CA C 58.897 0 1 608 84 84 CYS CB C 46.077 0 1 609 84 84 CYS N N 115.29 0 1 610 85 85 SER H H 7.571 0 1 611 85 85 SER HA H 4.673 0 1 612 85 85 SER HB2 H 3.902 0 1 613 85 85 SER HB3 H 4.117 0 1 614 85 85 SER C C 174.569 0 1 615 85 85 SER CA C 56.598 0 1 616 85 85 SER CB C 66.687 0 1 617 85 85 SER N N 114.887 0 1 618 86 86 ARG H H 8.918 0 1 619 86 86 ARG HA H 4.036 0 1 620 86 86 ARG HB2 H 1.831 0 1 621 86 86 ARG C C 178.763 0 1 622 86 86 ARG CA C 58.774 0 1 623 86 86 ARG CB C 29.211 0 1 624 86 86 ARG N N 123.17 0 1 625 87 87 ASP H H 8.331 0 1 626 87 87 ASP HA H 4.367 0 1 627 87 87 ASP HB2 H 2.55 0 1 628 87 87 ASP CA C 57.202 0 1 629 87 87 ASP CB C 39.732 0 1 630 87 87 ASP N N 118.96 0 1 631 88 88 PHE H H 7.681 0 1 632 88 88 PHE HA H 4.465 0 1 633 88 88 PHE HB2 H 3.357 0 1 634 88 88 PHE HB3 H 3.075 0 1 635 88 88 PHE C C 177.08 0 1 636 88 88 PHE CA C 61.329 0 1 637 88 88 PHE CB C 39.297 0 1 638 88 88 PHE N N 121.892 0 1 639 89 89 ALA H H 7.877 0 1 640 89 89 ALA HA H 3.881 0 1 641 89 89 ALA HB H 1.574 0 2 642 89 89 ALA C C 180.49 0 1 643 89 89 ALA CA C 55.573 0 1 644 89 89 ALA CB C 17.83 0 1 645 89 89 ALA N N 121.381 0 1 646 90 90 SER H H 8.057 0 1 647 90 90 SER HA H 4.009 0 1 648 90 90 SER C C 177.06 0 1 649 90 90 SER CA C 61.391 0 1 650 90 90 SER CB C 62.435 0 1 651 90 90 SER N N 114.053 0 1 652 91 91 GLU H H 7.566 0 1 653 91 91 GLU C C 179.613 0 1 654 91 91 GLU CA C 58.685 0 1 655 91 91 GLU CB C 28.968 0 1 656 91 91 GLU N N 123.174 0 1 657 92 92 VAL H H 8.357 0 1 658 92 92 VAL HA H 3.17 0 1 659 92 92 VAL HB H 1.857 0 1 660 92 92 VAL HG1 H 0.701 0 2 661 92 92 VAL HG2 H 0.396 0 2 662 92 92 VAL C C 177.403 0 1 663 92 92 VAL CA C 66.494 0 1 664 92 92 VAL CB C 30.94 0 1 665 92 92 VAL CG1 C 23.792 0 1 666 92 92 VAL CG2 C 21.225 0 1 667 92 92 VAL N N 120.325 0 1 668 93 93 SER H H 7.811 0 1 669 93 93 SER HA H 3.896 0 1 670 93 93 SER C C 177.407 0 1 671 93 93 SER CA C 61.999 0 1 672 93 93 SER CB C 62.321 0 1 673 93 93 SER N N 114.786 0 1 674 94 94 ASN H H 7.396 0 1 675 94 94 ASN HA H 4.498 0 1 676 94 94 ASN HB2 H 2.789 0 1 677 94 94 ASN CA C 56.501 0 1 678 94 94 ASN CB C 38.336 0 1 679 94 94 ASN N N 118.861 0 1 680 95 95 VAL H H 7.742 0 1 681 95 95 VAL HA H 3.6 0 1 682 95 95 VAL HB H 1.98 0 1 683 95 95 VAL HG1 H 0.894 0 2 684 95 95 VAL HG2 H 0.788 0 2 685 95 95 VAL C C 178.352 0 1 686 95 95 VAL CA C 65.893 0 1 687 95 95 VAL CB C 31.203 0 1 688 95 95 VAL CG1 C 22.423 0 1 689 95 95 VAL CG2 C 21.155 0 1 690 95 95 VAL N N 121.647 0 1 691 96 96 LEU H H 8.334 0 1 692 96 96 LEU HA H 4.405 0 1 693 96 96 LEU HB2 H 1.769 0 1 694 96 96 LEU HB3 H 1.351 0 1 695 96 96 LEU HG H 0.734 0 1 696 96 96 LEU C C 179.179 0 1 697 96 96 LEU CA C 57.041 0 1 698 96 96 LEU CB C 40.123 0 1 699 96 96 LEU CG C 26.014 0 1 700 96 96 LEU N N 118.249 0 1 701 97 97 ASN H H 7.612 0 1 702 97 97 ASN HA H 4.566 0 1 703 97 97 ASN HB2 H 2.782 0 1 704 97 97 ASN C C 176.451 0 1 705 97 97 ASN CA C 54.891 0 1 706 97 97 ASN CB C 39.339 0 1 707 97 97 ASN N N 115.817 0 1 708 98 98 LYS H H 7.594 0 1 709 98 98 LYS HA H 4.484 0 1 710 98 98 LYS HB2 H 1.82 0 1 711 98 98 LYS C C 177.699 0 1 712 98 98 LYS CA C 56.389 0 1 713 98 98 LYS CB C 33.839 0 1 714 98 98 LYS CG C 24.33 0 1 715 98 98 LYS CD C 28.481 0 1 716 98 98 LYS N N 117.416 0 1 717 99 99 GLY H H 8.515 0 1 718 99 99 GLY HA2 H 4.108 0 1 719 99 99 GLY C C 173.378 0 1 720 99 99 GLY CA C 45.123 0 1 721 99 99 GLY N N 109.978 0 1 722 100 100 HIS H H 9.18 0 1 723 100 100 HIS HA H 4.607 0 1 724 100 100 HIS HB2 H 3.337 0 1 725 100 100 HIS C C 175.87 0 1 726 100 100 HIS CA C 56.139 0 1 727 100 100 HIS CB C 31.39 0 1 728 100 100 HIS N N 124.19 0 1 729 101 101 PRO HA H 4.218 0 1 730 101 101 PRO HB2 H 2.323 0 1 731 101 101 PRO HG2 H 1.893 0 1 732 101 101 PRO C C 179.638 0 1 733 101 101 PRO CA C 66.264 0 1 734 101 101 PRO CB C 31.998 0 1 735 101 101 PRO CG C 27.048 0 1 736 101 101 PRO CD C 50.151 0 1 737 102 102 LYS H H 10.362 0 1 738 102 102 LYS HA H 4.192 0 1 739 102 102 LYS HB2 H 1.974 0 1 740 102 102 LYS C C 179.818 0 1 741 102 102 LYS CA C 58.932 0 1 742 102 102 LYS CB C 31.844 0 1 743 102 102 LYS CG C 26.847 0 1 744 102 102 LYS CD C 29.831 0 1 745 102 102 LYS CE C 42.96 0 1 746 102 102 LYS N N 120.583 0 1 747 103 103 VAL H H 7.365 0 1 748 103 103 VAL HA H 3.704 0 1 749 103 103 VAL HB H 2.526 0 1 750 103 103 VAL HG1 H 1.112 0 2 751 103 103 VAL HG2 H 0.932 0 2 752 103 103 VAL C C 177.699 0 1 753 103 103 VAL CA C 65.227 0 1 754 103 103 VAL CB C 32.031 0 1 755 103 103 VAL CG1 C 23.23 0 1 756 103 103 VAL CG2 C 20.345 0 1 757 103 103 VAL N N 123.685 0 1 758 104 104 CYS H H 8.173 0 1 759 104 104 CYS HA H 3.755 0 1 760 104 104 CYS HB2 H 2.996 0 1 761 104 104 CYS HB3 H 2.697 0 1 762 104 104 CYS C C 176.595 0 1 763 104 104 CYS CA C 63.557 0 1 764 104 104 CYS CB C 26.569 0 1 765 104 104 CYS N N 118.004 0 1 766 105 105 GLU H H 8.008 0 1 767 105 105 GLU HA H 3.85 0 1 768 105 105 GLU HB2 H 2.022 0 1 769 105 105 GLU HG2 H 2.207 0 1 770 105 105 GLU C C 178.826 0 1 771 105 105 GLU CA C 59.118 0 1 772 105 105 GLU CB C 29.448 0 1 773 105 105 GLU CG C 35.751 0 1 774 105 105 GLU N N 118.335 0 1 775 106 106 LYS H H 7.448 0 1 776 106 106 LYS HA H 4.18 0 1 777 106 106 LYS HB2 H 1.954 0 1 778 106 106 LYS C C 177.444 0 1 779 106 106 LYS CA C 58.125 0 1 780 106 106 LYS CB C 30.664 0 1 781 106 106 LYS N N 121.485 0 1 782 107 107 LEU H H 8.33 0 1 783 107 107 LEU HA H 3.879 0 1 784 107 107 LEU C C 178.09 0 1 785 107 107 LEU CA C 58.04 0 1 786 107 107 LEU CB C 40.716 0 1 787 107 107 LEU N N 121.011 0 1 788 108 108 LYS H H 8.088 0 1 789 108 108 LYS HA H 3.731 0 1 790 108 108 LYS HB2 H 1.737 0 1 791 108 108 LYS C C 177.799 0 1 792 108 108 LYS CA C 60.503 0 1 793 108 108 LYS CB C 31.479 0 1 794 108 108 LYS CG C 25.965 0 1 795 108 108 LYS N N 117.663 0 1 796 109 109 ALA H H 7.61 0 1 797 109 109 ALA HA H 3.93 0 1 798 109 109 ALA HB H 1.43 0 2 799 109 109 ALA C C 181.411 0 1 800 109 109 ALA CA C 54.943 0 1 801 109 109 ALA CB C 17.539 0 1 802 109 109 ALA N N 120.99 0 1 803 110 110 LEU H H 8.001 0 1 804 110 110 LEU HA H 3.472 0 1 805 110 110 LEU HB2 H 1.481 0 1 806 110 110 LEU C C 176.584 0 1 807 110 110 LEU CA C 57.02 0 1 808 110 110 LEU CB C 40.493 0 1 809 110 110 LEU N N 121.876 0 1 810 111 111 MET H H 7.4 0 1 811 111 111 MET HA H 3.289 0 1 812 111 111 MET C C 178.891 0 1 813 111 111 MET CA C 59.422 0 1 814 111 111 MET CB C 33.118 0 1 815 111 111 MET CG C 31.975 0 1 816 111 111 MET N N 115.325 0 1 817 112 112 VAL H H 7.776 0 1 818 112 112 VAL HA H 3.39 0 1 819 112 112 VAL HB H 2.041 0 1 820 112 112 VAL HG1 H 0.975 0 2 821 112 112 VAL HG2 H 0.84 0 2 822 112 112 VAL C C 179.069 0 1 823 112 112 VAL CA C 66.727 0 1 824 112 112 VAL CB C 31.375 0 1 825 112 112 VAL CG1 C 22.928 0 1 826 112 112 VAL CG2 C 20.847 0 1 827 112 112 VAL N N 120.337 0 1 828 113 113 GLU H H 7.429 0 1 829 113 113 GLU HA H 3.997 0 1 830 113 113 GLU HB2 H 2.064 0 1 831 113 113 GLU C C 180.189 0 1 832 113 113 GLU CA C 59.52 0 1 833 113 113 GLU CB C 28.37 0 1 834 113 113 GLU CG C 35.703 0 1 835 113 113 GLU N N 123.31 0 1 836 114 114 TRP H H 8.645 0 1 837 114 114 TRP HA H 4.019 0 1 838 114 114 TRP HB2 H 2.162 0 1 839 114 114 TRP C C 177.672 0 1 840 114 114 TRP CA C 56.917 0 1 841 114 114 TRP CB C 27.667 0 1 842 114 114 TRP N N 121.565 0 1 843 115 115 THR H H 7.889 0 1 844 115 115 THR HA H 4.219 0 1 845 115 115 THR HB H 3.748 0 1 846 115 115 THR C C 176.798 0 1 847 115 115 THR CA C 66.718 0 1 848 115 115 THR CB C 68.37 0 1 849 115 115 THR N N 112.821 0 1 850 116 116 ASP H H 7.139 0 1 851 116 116 ASP HA H 4.468 0 1 852 116 116 ASP HB2 H 2.667 0 1 853 116 116 ASP C C 177.891 0 1 854 116 116 ASP CA C 57.108 0 1 855 116 116 ASP CB C 40.958 0 1 856 116 116 ASP N N 120.685 0 1 857 117 117 GLU H H 7.586 0 1 858 117 117 GLU HA H 4.096 0 1 859 117 117 GLU HB2 H 1.879 0 1 860 117 117 GLU C C 179.113 0 1 861 117 117 GLU CA C 58.147 0 1 862 117 117 GLU CB C 28.956 0 1 863 117 117 GLU CG C 34.889 0 1 864 117 117 GLU N N 119.969 0 1 865 118 118 PHE H H 8.376 0 1 866 118 118 PHE HA H 4.718 0 1 867 118 118 PHE HB2 H 3.542 0 1 868 118 118 PHE HB3 H 2.996 0 1 869 118 118 PHE C C 177.74 0 1 870 118 118 PHE CA C 54.942 0 1 871 118 118 PHE CB C 37.384 0 1 872 118 118 PHE N N 118.267 0 1 873 119 119 LYS H H 7.134 0 1 874 119 119 LYS HA H 4.134 0 1 875 119 119 LYS HB2 H 1.95 0 1 876 119 119 LYS C C 176.423 0 1 877 119 119 LYS CA C 58.805 0 1 878 119 119 LYS CB C 31.837 0 1 879 119 119 LYS N N 117.571 0 1 880 120 120 ASN H H 8.324 0 1 881 120 120 ASN HA H 4.697 0 1 882 120 120 ASN HB2 H 2.949 0 1 883 120 120 ASN C C 176.442 0 1 884 120 120 ASN CA C 53.32 0 1 885 120 120 ASN CB C 38.321 0 1 886 120 120 ASN N N 116.978 0 1 887 121 121 ASP H H 7.717 0 1 888 121 121 ASP HA H 5.164 0 1 889 121 121 ASP HB2 H 2.964 0 1 890 121 121 ASP HB3 H 2.429 0 1 891 121 121 ASP C C 175.446 0 1 892 121 121 ASP CA C 50.5 0 1 893 121 121 ASP CB C 41.772 0 1 894 121 121 ASP N N 121.232 0 1 895 122 122 PRO HA H 4.379 0 1 896 122 122 PRO HB2 H 1.994 0 1 897 122 122 PRO HB3 H 1.937 0 1 898 122 122 PRO HG2 H 2.384 0 1 899 122 122 PRO C C 178.693 0 1 900 122 122 PRO CA C 64.337 0 1 901 122 122 PRO CB C 31.981 0 1 902 122 122 PRO CG C 26.878 0 1 903 122 122 PRO CD C 50.535 0 1 904 123 123 GLN H H 8.387 0 1 905 123 123 GLN HA H 4.212 0 1 906 123 123 GLN HB2 H 1.947 0 1 907 123 123 GLN HG2 H 2.699 0 1 908 123 123 GLN C C 177.169 0 1 909 123 123 GLN CA C 57.426 0 1 910 123 123 GLN CB C 28.693 0 1 911 123 123 GLN N N 116.036 0 1 912 124 124 LEU H H 7.87 0 1 913 124 124 LEU HA H 4.752 0 1 914 124 124 LEU HB2 H 1.808 0 1 915 124 124 LEU HG H 1.591 0 1 916 124 124 LEU C C 176.786 0 1 917 124 124 LEU CA C 53.643 0 1 918 124 124 LEU CB C 39.539 0 1 919 124 124 LEU N N 120.2 0 1 920 125 125 SER H H 7.243 0 1 921 125 125 SER HA H 4.395 0 1 922 125 125 SER HB2 H 3.936 0 1 923 125 125 SER C C 176.681 0 1 924 125 125 SER CA C 60.547 0 1 925 125 125 SER CB C 63.638 0 1 926 125 125 SER N N 114.22 0 1 927 126 126 LEU H H 8.204 0 1 928 126 126 LEU HA H 4.157 0 1 929 126 126 LEU C C 178.498 0 1 930 126 126 LEU CA C 57.836 0 1 931 126 126 LEU CB C 41.557 0 1 932 126 126 LEU N N 124.01 0 1 933 127 127 ILE H H 6.98 0 1 934 127 127 ILE HA H 4.056 0 1 935 127 127 ILE HB H 2.389 0 1 936 127 127 ILE HG12 H 1.124 0 1 937 127 127 ILE HD1 H 0.891 0 2 938 127 127 ILE C C 177.411 0 1 939 127 127 ILE CA C 62.698 0 1 940 127 127 ILE CB C 35.416 0 1 941 127 127 ILE CG1 C 28.236 0 1 942 127 127 ILE CG2 C 20.648 0 1 943 127 127 ILE CD1 C 18.372 0 1 944 127 127 ILE N N 116.742 0 1 945 128 128 SER H H 8.595 0 1 946 128 128 SER HA H 4.178 0 1 947 128 128 SER HB2 H 3.97 0 1 948 128 128 SER C C 176.658 0 1 949 128 128 SER CA C 61.228 0 1 950 128 128 SER CB C 62.476 0 1 951 128 128 SER N N 116.836 0 1 952 129 129 ALA H H 7.578 0 1 953 129 129 ALA HA H 4.152 0 1 954 129 129 ALA HB H 1.453 0 2 955 129 129 ALA C C 179.848 0 1 956 129 129 ALA CA C 54.505 0 1 957 129 129 ALA CB C 17.832 0 1 958 129 129 ALA N N 125.099 0 1 959 130 130 MET H H 8.097 0 1 960 130 130 MET C C 178.792 0 1 961 130 130 MET CA C 58.844 0 1 962 130 130 MET CB C 33.148 0 1 963 130 130 MET N N 119.18 0 1 964 131 131 ILE H H 7.992 0 1 965 131 131 ILE HA H 3.805 0 1 966 131 131 ILE HB H 1.995 0 1 967 131 131 ILE C C 177.899 0 1 968 131 131 ILE CA C 62.574 0 1 969 131 131 ILE CB C 37.149 0 1 970 131 131 ILE N N 118.108 0 1 971 132 132 LYS H H 7.703 0 1 972 132 132 LYS HA H 3.964 0 1 973 132 132 LYS HB2 H 1.825 0 1 974 132 132 LYS C C 177.845 0 1 975 132 132 LYS CA C 58.735 0 1 976 132 132 LYS CB C 35.558 0 1 977 132 132 LYS N N 122.289 0 1 978 133 133 ASN H H 7.778 0 1 979 133 133 ASN HA H 4.498 0 1 980 133 133 ASN HB2 H 2.789 0 1 981 133 133 ASN C C 176.399 0 1 982 133 133 ASN CA C 54.409 0 1 983 133 133 ASN CB C 38.45 0 1 984 133 133 ASN N N 116.985 0 1 985 134 134 LEU H H 7.747 0 1 986 134 134 LEU HA H 4.149 0 1 987 134 134 LEU HB2 H 1.761 0 1 988 134 134 LEU HB3 H 1.379 0 1 989 134 134 LEU C C 178.065 0 1 990 134 134 LEU CA C 56.259 0 1 991 134 134 LEU N N 121.17 0 1 992 135 135 LYS H H 7.901 0 1 993 135 135 LYS HA H 4.151 0 1 994 135 135 LYS C C 177.12 0 1 995 135 135 LYS CA C 56.952 0 1 996 135 135 LYS CB C 32.366 0 1 997 135 135 LYS N N 120.523 0 1 998 136 136 GLU H H 8.048 0 1 999 136 136 GLU HA H 4.201 0 1 1000 136 136 GLU HB2 H 1.928 0 1 1001 136 136 GLU C C 176.954 0 1 1002 136 136 GLU CA C 56.807 0 1 1003 136 136 GLU CB C 29.64 0 1 1004 136 136 GLU N N 121.353 0 1 1005 137 137 GLN H H 8.059 0 1 1006 137 137 GLN HA H 4.254 0 1 1007 137 137 GLN HB2 H 2.01 0 1 1008 137 137 GLN C C 175.514 0 1 1009 137 137 GLN CA C 55.857 0 1 1010 137 137 GLN CB C 29.267 0 1 1011 137 137 GLN N N 121.006 0 1 1012 138 138 GLY H H 7.874 0 1 1013 138 138 GLY HA2 H 3.728 0 1 1014 138 138 GLY C C 178.996 0 1 1015 138 138 GLY CA C 45.989 0 1 1016 138 138 GLY N N 116.575 0 1 stop_ save_