data_18049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Low resolution structure of RNA-binding subunit of the TRAMP complex ; _BMRB_accession_number 18049 _BMRB_flat_file_name bmr18049.str _Entry_type original _Submission_date 2011-11-10 _Accession_date 2012-01-18 _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 Holub Peter . . 2 Lalakova Jana . . 3 Cerna Hana . . 4 Sarazova Marie . . 5 Pasulka Josef . . 6 Hrazdilova Kristyna . . 7 Arce Maria S. . 8 Stefl Richard . . 9 Vanacova Stepanka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 387 "13C chemical shifts" 240 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-15 update BMRB 'update entry citation' 2012-03-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Air2p is critical for the assembly and RNA-binding of the TRAMP complex and the KOW domain of Mtr4p is crucial for exosome activation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22402490 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Holub Peter . . 2 Lalakova Jana . . 3 Cerna Hana . . 4 Pasulka Josef . . 5 Sarazova Marie . . 6 Hrazdilova Kristyna . . 7 Arce 'Maria Sanudo' . . 8 Hobor Fruzsina . . 9 Stefl Richard . . 10 Vanacova Stepanka . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 40 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5679 _Page_last 5693 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA-binding subunit of the TRAMP complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA-binding subunit of the TRAMP complex' $RNA-binding_sub 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN 'ZINC ION_3' $entity_ZN 'ZINC ION_4' $entity_ZN 'ZINC ION_5' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA-binding_sub _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RNA-binding subunit of the TRAMP complex' _Molecular_mass 14263.607 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; KEAAPKCNNCSQRGHLKKDC PHIICSYCGATDDHYSRHCP KAIQCSKCDEVGHYRSQCPH KWKKVQCTLCKSKKHSKERC PSIWRAYILVDDNEKAKPKV LPFHTIYCYNCGGKGHFGDD CKEK ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 GLU 3 ALA 4 ALA 5 PRO 6 LYS 7 CYS 8 ASN 9 ASN 10 CYS 11 SER 12 GLN 13 ARG 14 GLY 15 HIS 16 LEU 17 LYS 18 LYS 19 ASP 20 CYS 21 PRO 22 HIS 23 ILE 24 ILE 25 CYS 26 SER 27 TYR 28 CYS 29 GLY 30 ALA 31 THR 32 ASP 33 ASP 34 HIS 35 TYR 36 SER 37 ARG 38 HIS 39 CYS 40 PRO 41 LYS 42 ALA 43 ILE 44 GLN 45 CYS 46 SER 47 LYS 48 CYS 49 ASP 50 GLU 51 VAL 52 GLY 53 HIS 54 TYR 55 ARG 56 SER 57 GLN 58 CYS 59 PRO 60 HIS 61 LYS 62 TRP 63 LYS 64 LYS 65 VAL 66 GLN 67 CYS 68 THR 69 LEU 70 CYS 71 LYS 72 SER 73 LYS 74 LYS 75 HIS 76 SER 77 LYS 78 GLU 79 ARG 80 CYS 81 PRO 82 SER 83 ILE 84 TRP 85 ARG 86 ALA 87 TYR 88 ILE 89 LEU 90 VAL 91 ASP 92 ASP 93 ASN 94 GLU 95 LYS 96 ALA 97 LYS 98 PRO 99 LYS 100 VAL 101 LEU 102 PRO 103 PHE 104 HIS 105 THR 106 ILE 107 TYR 108 CYS 109 TYR 110 ASN 111 CYS 112 GLY 113 GLY 114 LYS 115 GLY 116 HIS 117 PHE 118 GLY 119 ASP 120 ASP 121 CYS 122 LYS 123 GLU 124 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LLI "Low Resolution Structure Of Rna-Binding Subunit Of The Tramp Complex" 100.00 124 100.00 100.00 2.14e-83 PDB 3NYB "Structure And Function Of The Polymerase Core Of Tramp, A Rna Surveillance Complex" 50.81 83 100.00 100.00 1.55e-37 DBJ GAA22076 "K7_Air2p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 344 100.00 100.00 9.80e-86 EMBL CAA91570 "putative protein [Saccharomyces cerevisiae]" 100.00 344 100.00 100.00 1.07e-85 EMBL CAA98749 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 344 100.00 100.00 1.07e-85 EMBL CAY78334 "Air2p [Saccharomyces cerevisiae EC1118]" 100.00 344 100.00 100.00 1.31e-85 GB AHY74840 "Air2p [Saccharomyces cerevisiae YJM993]" 100.00 344 100.00 100.00 1.07e-85 GB AJP37581 "Air2p [Saccharomyces cerevisiae YJM1078]" 100.00 344 100.00 100.00 1.07e-85 GB AJU57693 "Air2p [Saccharomyces cerevisiae YJM189]" 100.00 344 100.00 100.00 1.07e-85 GB AJU58396 "Air2p [Saccharomyces cerevisiae YJM193]" 100.00 344 100.00 100.00 1.07e-85 GB AJU59085 "Air2p [Saccharomyces cerevisiae YJM195]" 100.00 344 100.00 100.00 1.03e-85 REF NP_010106 "Air2p [Saccharomyces cerevisiae S288c]" 100.00 344 100.00 100.00 1.07e-85 SP Q12476 "RecName: Full=Protein AIR2; AltName: Full=Arginine methyltransferase-interacting RING finger protein 2" 100.00 344 100.00 100.00 1.07e-85 TPG DAA11687 "TPA: Air2p [Saccharomyces cerevisiae S288c]" 100.00 344 100.00 100.00 1.07e-85 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNA-binding_sub 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $RNA-binding_sub 'recombinant technology' . Saccharomyces cerevisiae . pNOPPATA1L stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA-binding_sub 100 uM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate buffer' 50 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 . M pH 8 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHA' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA-binding subunit of the TRAMP complex' _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 3 3 ALA H H 8.182 0.020 1 2 3 3 ALA HA H 4.195 0.020 1 3 3 3 ALA HB H 1.258 0.020 . 4 3 3 ALA CA C 49.578 0.400 1 5 3 3 ALA CB C 16.811 0.400 1 6 3 3 ALA N N 125.353 0.400 1 7 4 4 ALA H H 8.151 0.020 1 8 4 4 ALA HA H 4.460 0.020 1 9 4 4 ALA HB H 1.227 0.020 . 10 4 4 ALA CA C 47.760 0.400 1 11 4 4 ALA CB C 15.798 0.400 1 12 4 4 ALA N N 124.707 0.400 1 13 5 5 PRO HA H 4.470 0.020 1 14 5 5 PRO HB2 H 1.490 0.020 2 15 5 5 PRO HB3 H 2.083 0.020 2 16 5 5 PRO HG2 H 1.620 0.020 2 17 5 5 PRO HG3 H 1.890 0.020 2 18 5 5 PRO HD2 H 3.431 0.020 2 19 5 5 PRO HD3 H 3.622 0.020 2 20 5 5 PRO CA C 59.320 0.400 1 21 5 5 PRO CB C 29.800 0.400 1 22 5 5 PRO CG C 24.480 0.400 1 23 5 5 PRO CD C 47.840 0.400 1 24 6 6 LYS H H 8.230 0.020 1 25 6 6 LYS HA H 4.263 0.020 1 26 6 6 LYS HB2 H 1.375 0.020 2 27 6 6 LYS HB3 H 1.502 0.020 2 28 6 6 LYS HG2 H 0.998 0.020 1 29 6 6 LYS HG3 H 0.998 0.020 1 30 6 6 LYS HD2 H 1.470 0.020 1 31 6 6 LYS HD3 H 1.470 0.020 1 32 6 6 LYS HE2 H 2.820 0.020 1 33 6 6 LYS HE3 H 2.820 0.020 1 34 6 6 LYS CA C 52.630 0.400 1 35 6 6 LYS CB C 32.000 0.400 1 36 6 6 LYS CG C 22.310 0.400 1 37 6 6 LYS CD C 26.890 0.400 1 38 6 6 LYS CE C 39.350 0.400 1 39 6 6 LYS N N 121.400 0.400 1 40 7 7 CYS H H 8.354 0.020 1 41 7 7 CYS HA H 4.114 0.020 1 42 7 7 CYS HB2 H 1.951 0.020 2 43 7 7 CYS HB3 H 2.843 0.020 2 44 7 7 CYS CA C 57.020 0.400 1 45 7 7 CYS CB C 27.720 0.400 1 46 7 7 CYS N N 128.995 0.400 1 47 8 8 ASN H H 8.659 0.020 1 48 8 8 ASN HA H 4.705 0.020 1 49 8 8 ASN HB2 H 2.690 0.020 2 50 8 8 ASN HB3 H 2.897 0.020 2 51 8 8 ASN CA C 51.910 0.400 1 52 8 8 ASN CB C 35.930 0.400 1 53 8 8 ASN N N 127.325 0.400 1 54 9 9 ASN H H 9.861 0.020 1 55 9 9 ASN HA H 4.800 0.020 1 56 9 9 ASN HB2 H 2.450 0.020 2 57 9 9 ASN HB3 H 3.370 0.020 2 58 9 9 ASN CA C 53.312 0.400 1 59 9 9 ASN CB C 37.875 0.400 1 60 9 9 ASN N N 122.394 0.400 1 61 10 10 CYS H H 8.814 0.020 1 62 10 10 CYS HA H 4.705 0.020 1 63 10 10 CYS HB2 H 2.340 0.020 2 64 10 10 CYS HB3 H 3.160 0.020 2 65 10 10 CYS CA C 56.350 0.400 1 66 10 10 CYS CB C 29.540 0.400 1 67 10 10 CYS N N 117.508 0.400 1 68 11 11 SER H H 7.821 0.020 1 69 11 11 SER HA H 4.150 0.020 1 70 11 11 SER HB2 H 3.939 0.020 2 71 11 11 SER HB3 H 4.116 0.020 2 72 11 11 SER CA C 58.769 0.400 1 73 11 11 SER CB C 59.635 0.400 1 74 11 11 SER N N 115.934 0.400 1 75 12 12 GLN H H 8.311 0.020 1 76 12 12 GLN HA H 4.361 0.020 1 77 12 12 GLN HB2 H 1.954 0.020 2 78 12 12 GLN HB3 H 2.116 0.020 2 79 12 12 GLN HG2 H 2.265 0.020 2 80 12 12 GLN HG3 H 2.533 0.020 2 81 12 12 GLN CA C 52.870 0.400 1 82 12 12 GLN CB C 27.913 0.400 1 83 12 12 GLN CG C 32.287 0.400 1 84 12 12 GLN N N 120.325 0.400 1 85 13 13 ARG H H 8.430 0.020 1 86 13 13 ARG HA H 4.368 0.020 1 87 13 13 ARG HB2 H 2.260 0.020 2 88 13 13 ARG HB3 H 2.530 0.020 2 89 13 13 ARG HG2 H 1.950 0.020 2 90 13 13 ARG HG3 H 2.110 0.020 2 91 13 13 ARG CA C 53.030 0.400 1 92 13 13 ARG CB C 32.300 0.400 1 93 13 13 ARG CG C 28.000 0.400 1 94 13 13 ARG N N 118.657 0.400 1 95 14 14 GLY H H 8.706 0.020 1 96 14 14 GLY HA2 H 3.509 0.020 2 97 14 14 GLY HA3 H 4.540 0.020 2 98 14 14 GLY CA C 42.730 0.400 1 99 14 14 GLY N N 107.015 0.400 1 100 15 15 HIS H H 6.998 0.020 1 101 15 15 HIS HA H 4.600 0.020 1 102 15 15 HIS HB2 H 3.080 0.020 2 103 15 15 HIS HB3 H 3.160 0.020 2 104 15 15 HIS HD2 H 6.934 0.020 1 105 15 15 HIS HE1 H 8.302 0.020 1 106 15 15 HIS CA C 52.436 0.400 1 107 15 15 HIS CB C 27.887 0.400 1 108 15 15 HIS N N 113.397 0.400 1 109 16 16 LEU H H 8.614 0.020 1 110 16 16 LEU HA H 4.585 0.020 1 111 16 16 LEU HB2 H 1.640 0.020 2 112 16 16 LEU HB3 H 1.815 0.020 2 113 16 16 LEU HD1 H 0.875 0.020 . 114 16 16 LEU HD2 H 0.885 0.020 . 115 16 16 LEU CA C 50.529 0.400 1 116 16 16 LEU CB C 42.196 0.400 1 117 16 16 LEU CD1 C 20.660 0.400 2 118 16 16 LEU CD2 C 23.347 0.400 2 119 16 16 LEU N N 117.239 0.400 1 120 17 17 LYS H H 8.681 0.020 1 121 17 17 LYS HA H 4.780 0.020 1 122 17 17 LYS HB2 H 1.931 0.020 1 123 17 17 LYS HG3 H 1.365 0.020 1 124 17 17 LYS HD2 H 1.552 0.020 2 125 17 17 LYS HD3 H 1.677 0.020 2 126 17 17 LYS HE3 H 2.902 0.020 1 127 17 17 LYS CA C 57.764 0.400 1 128 17 17 LYS CB C 29.801 0.400 1 129 17 17 LYS CG C 22.481 0.400 1 130 17 17 LYS CD C 27.523 0.400 1 131 17 17 LYS CE C 39.654 0.400 1 132 17 17 LYS N N 122.561 0.400 1 133 18 18 LYS H H 8.320 0.020 1 134 18 18 LYS HA H 4.104 0.020 1 135 18 18 LYS HB2 H 1.735 0.020 2 136 18 18 LYS HB3 H 1.826 0.020 2 137 18 18 LYS HG3 H 1.234 0.020 1 138 18 18 LYS CA C 55.819 0.400 1 139 18 18 LYS CB C 28.755 0.400 1 140 18 18 LYS CG C 21.041 0.400 1 141 18 18 LYS N N 117.626 0.400 1 142 19 19 ASP H H 7.770 0.020 1 143 19 19 ASP HA H 4.850 0.020 1 144 19 19 ASP HB2 H 2.405 0.020 2 145 19 19 ASP HB3 H 2.885 0.020 2 146 19 19 ASP CA C 50.832 0.400 1 147 19 19 ASP CB C 39.900 0.400 1 148 19 19 ASP N N 118.071 0.400 1 149 20 20 CYS H H 7.275 0.020 1 150 20 20 CYS HA H 3.702 0.020 1 151 20 20 CYS HB2 H 2.714 0.020 2 152 20 20 CYS HB3 H 3.151 0.020 2 153 20 20 CYS CA C 59.556 0.400 1 154 20 20 CYS CB C 28.496 0.400 1 155 20 20 CYS N N 123.265 0.400 1 156 21 21 PRO HD2 H 3.704 0.020 1 157 21 21 PRO CA C 58.900 0.400 1 158 21 21 PRO CB C 30.720 0.400 1 159 22 22 HIS H H 7.882 0.020 1 160 22 22 HIS HE1 H 8.500 0.020 1 161 22 22 HIS CA C 52.484 0.400 1 162 22 22 HIS CB C 27.833 0.400 1 163 22 22 HIS N N 121.576 0.400 1 164 23 23 ILE H H 8.660 0.020 1 165 23 23 ILE HA H 4.170 0.020 1 166 23 23 ILE HB H 1.410 0.020 1 167 23 23 ILE HG12 H 0.954 0.020 2 168 23 23 ILE HG13 H 1.260 0.020 2 169 23 23 ILE HG2 H 0.414 0.020 . 170 23 23 ILE HD1 H 0.429 0.020 . 171 23 23 ILE CA C 57.420 0.400 1 172 23 23 ILE CB C 36.980 0.400 1 173 23 23 ILE CG1 C 24.220 0.400 1 174 23 23 ILE CG2 C 14.820 0.400 1 175 23 23 ILE CD1 C 10.000 0.400 1 176 23 23 ILE N N 117.100 0.400 1 177 24 24 ILE H H 8.486 0.020 1 178 24 24 ILE HA H 3.950 0.020 1 179 24 24 ILE HB H 1.544 0.020 1 180 24 24 ILE HG12 H 1.573 0.020 2 181 24 24 ILE HG13 H 2.547 0.020 2 182 24 24 ILE HG2 H 0.523 0.020 . 183 24 24 ILE HD1 H 0.548 0.020 . 184 24 24 ILE CA C 56.690 0.400 1 185 24 24 ILE CB C 37.176 0.400 1 186 24 24 ILE CG1 C 27.572 0.400 1 187 24 24 ILE CG2 C 14.307 0.400 1 188 24 24 ILE CD1 C 10.208 0.400 1 189 24 24 ILE N N 126.524 0.400 1 190 25 25 CYS HB2 H 3.135 0.020 2 191 25 25 CYS HB3 H 3.250 0.020 2 192 25 25 CYS CA C 56.014 0.400 1 193 25 25 CYS CB C 27.273 0.400 1 194 26 26 SER H H 9.491 0.020 1 195 26 26 SER HA H 4.050 0.020 1 196 26 26 SER HB2 H 3.551 0.020 2 197 26 26 SER HB3 H 3.637 0.020 2 198 26 26 SER CA C 58.170 0.400 1 199 26 26 SER CB C 60.523 0.400 1 200 26 26 SER N N 127.811 0.400 1 201 27 27 TYR H H 9.389 0.020 1 202 27 27 TYR HA H 4.525 0.020 1 203 27 27 TYR HB2 H 2.955 0.020 2 204 27 27 TYR HB3 H 3.403 0.020 2 205 27 27 TYR HD1 H 7.170 0.020 1 206 27 27 TYR HD2 H 7.170 0.020 1 207 27 27 TYR CA C 57.890 0.400 1 208 27 27 TYR CB C 37.093 0.400 1 209 27 27 TYR N N 124.378 0.400 1 210 28 28 CYS H H 8.490 0.020 1 211 28 28 CYS HB2 H 1.951 0.020 2 212 28 28 CYS HB3 H 1.560 0.020 2 213 28 28 CYS CA C 55.921 0.400 1 214 28 28 CYS CB C 30.198 0.400 1 215 28 28 CYS N N 126.900 0.400 1 216 29 29 GLY H H 7.792 0.020 1 217 29 29 GLY HA2 H 3.700 0.020 2 218 29 29 GLY HA3 H 4.070 0.020 2 219 29 29 GLY CA C 43.348 0.400 1 220 29 29 GLY N N 113.271 0.400 1 221 30 30 ALA H H 8.541 0.020 1 222 30 30 ALA HA H 4.119 0.020 1 223 30 30 ALA HB H 1.195 0.020 . 224 30 30 ALA CA C 51.140 0.400 1 225 30 30 ALA CB C 17.720 0.400 1 226 30 30 ALA N N 124.805 0.400 1 227 31 31 THR H H 8.544 0.020 1 228 31 31 THR HB H 3.780 0.020 1 229 31 31 THR HG2 H 0.840 0.020 . 230 31 31 THR CA C 58.082 0.400 1 231 31 31 THR CB C 67.072 0.400 1 232 31 31 THR CG2 C 18.450 0.400 1 233 31 31 THR N N 118.352 0.400 1 234 32 32 ASP H H 9.768 0.020 1 235 32 32 ASP HA H 4.043 0.020 1 236 32 32 ASP HB2 H 2.595 0.020 2 237 32 32 ASP HB3 H 2.835 0.020 2 238 32 32 ASP CA C 53.149 0.400 1 239 32 32 ASP CB C 36.447 0.400 1 240 32 32 ASP N N 123.222 0.400 1 241 33 33 ASP H H 8.111 0.020 1 242 33 33 ASP HB2 H 2.110 0.020 2 243 33 33 ASP HB3 H 2.270 0.020 2 244 33 33 ASP CA C 53.320 0.400 1 245 33 33 ASP CB C 43.190 0.400 1 246 33 33 ASP N N 116.889 0.400 1 247 34 34 HIS H H 6.959 0.020 1 248 34 34 HIS HB2 H 2.370 0.020 2 249 34 34 HIS HB3 H 2.860 0.020 2 250 34 34 HIS HD1 H 7.620 0.020 1 251 34 34 HIS HD2 H 7.200 0.020 1 252 34 34 HIS CA C 53.190 0.400 1 253 34 34 HIS CB C 29.660 0.400 1 254 34 34 HIS N N 110.849 0.400 1 255 35 35 TYR H H 8.813 0.020 1 256 35 35 TYR HB2 H 2.450 0.020 2 257 35 35 TYR HB3 H 3.370 0.020 2 258 35 35 TYR CA C 54.137 0.400 1 259 35 35 TYR CB C 37.567 0.400 1 260 35 35 TYR N N 117.529 0.400 1 261 36 36 SER H H 8.518 0.020 1 262 36 36 SER CA C 57.520 0.400 1 263 36 36 SER CB C 59.800 0.400 1 264 36 36 SER N N 121.984 0.400 1 265 37 37 ARG H H 7.963 0.020 1 266 37 37 ARG CA C 51.671 0.400 1 267 37 37 ARG CB C 27.093 0.400 1 268 37 37 ARG N N 119.707 0.400 1 269 38 38 HIS H H 7.443 0.020 1 270 38 38 HIS CA C 56.276 0.400 1 271 38 38 HIS N N 125.394 0.400 1 272 39 39 CYS HA H 4.450 0.020 1 273 39 39 CYS HB2 H 1.580 0.020 2 274 39 39 CYS HB3 H 1.710 0.020 2 275 39 39 CYS CA C 51.680 0.400 1 276 39 39 CYS CB C 28.240 0.400 1 277 40 40 PRO HA H 4.310 0.020 1 278 40 40 PRO HB2 H 1.742 0.020 2 279 40 40 PRO HB3 H 2.165 0.020 2 280 40 40 PRO HD2 H 3.490 0.020 2 281 40 40 PRO HD3 H 3.690 0.020 2 282 40 40 PRO CA C 60.440 0.400 1 283 40 40 PRO CB C 30.300 0.400 1 284 40 40 PRO CD C 48.000 0.400 1 285 41 41 LYS H H 8.650 0.020 1 286 41 41 LYS HA H 4.079 0.020 1 287 41 41 LYS HB2 H 1.820 0.020 2 288 41 41 LYS HB3 H 1.748 0.020 2 289 41 41 LYS CA C 53.680 0.400 1 290 41 41 LYS CB C 29.641 0.400 1 291 41 41 LYS N N 121.400 0.400 1 292 42 42 ALA H H 7.201 0.020 1 293 42 42 ALA HA H 3.519 0.020 1 294 42 42 ALA HB H 0.819 0.020 . 295 42 42 ALA CA C 49.591 0.400 1 296 42 42 ALA CB C 16.456 0.400 1 297 42 42 ALA N N 122.096 0.400 1 298 43 43 ILE H H 7.086 0.020 1 299 43 43 ILE HA H 3.731 0.020 1 300 43 43 ILE HB H 1.306 0.020 1 301 43 43 ILE HG12 H 1.060 0.020 2 302 43 43 ILE HG13 H 0.745 0.020 2 303 43 43 ILE HG2 H 0.150 0.020 . 304 43 43 ILE HD1 H 0.494 0.020 . 305 43 43 ILE CA C 57.966 0.400 1 306 43 43 ILE CB C 35.977 0.400 1 307 43 43 ILE CG1 C 24.054 0.400 1 308 43 43 ILE CG2 C 13.895 0.400 1 309 43 43 ILE CD1 C 10.526 0.400 1 310 43 43 ILE N N 119.646 0.400 1 311 44 44 GLN H H 7.980 0.020 1 312 44 44 GLN HA H 4.432 0.020 1 313 44 44 GLN HB2 H 1.715 0.020 2 314 44 44 GLN HB3 H 1.877 0.020 2 315 44 44 GLN CA C 51.736 0.400 1 316 44 44 GLN CB C 28.084 0.400 1 317 44 44 GLN N N 125.541 0.400 1 318 45 45 CYS H H 8.353 0.020 1 319 45 45 CYS HA H 4.120 0.020 1 320 45 45 CYS HB2 H 1.880 0.020 2 321 45 45 CYS HB3 H 2.780 0.020 2 322 45 45 CYS CA C 57.330 0.400 1 323 45 45 CYS CB C 28.000 0.400 1 324 45 45 CYS N N 130.678 0.400 1 325 46 46 SER H H 8.466 0.020 1 326 46 46 SER HA H 4.334 0.020 1 327 46 46 SER HB2 H 3.950 0.020 2 328 46 46 SER HB3 H 4.104 0.020 2 329 46 46 SER CA C 56.923 0.400 1 330 46 46 SER CB C 60.400 0.400 1 331 46 46 SER N N 124.273 0.400 1 332 47 47 LYS H H 9.720 0.020 1 333 47 47 LYS HA H 4.360 0.020 1 334 47 47 LYS HB2 H 1.540 0.020 2 335 47 47 LYS HB3 H 2.200 0.020 2 336 47 47 LYS HG2 H 1.650 0.020 1 337 47 47 LYS HE2 H 2.870 0.020 1 338 47 47 LYS CA C 56.320 0.400 1 339 47 47 LYS CB C 31.300 0.400 1 340 47 47 LYS CG C 26.700 0.400 1 341 47 47 LYS CE C 39.700 0.400 1 342 47 47 LYS N N 127.929 0.400 1 343 48 48 CYS H H 8.600 0.020 1 344 48 48 CYS HA H 4.590 0.020 1 345 48 48 CYS HB2 H 3.080 0.020 2 346 48 48 CYS HB3 H 3.160 0.020 2 347 48 48 CYS CA C 51.500 0.400 1 348 48 48 CYS CB C 28.100 0.400 1 349 49 49 ASP H H 8.830 0.020 1 350 49 49 ASP HA H 4.710 0.020 1 351 49 49 ASP HB2 H 3.090 0.020 2 352 49 49 ASP HB3 H 3.130 0.020 2 353 49 49 ASP CA C 54.300 0.400 1 354 49 49 ASP CB C 41.200 0.400 1 355 50 50 GLU H H 8.226 0.020 1 356 50 50 GLU HA H 4.295 0.020 1 357 50 50 GLU HB2 H 1.907 0.020 2 358 50 50 GLU HB3 H 1.997 0.020 2 359 50 50 GLU HG2 H 2.275 0.020 2 360 50 50 GLU HG3 H 2.574 0.020 2 361 50 50 GLU CA C 54.340 0.400 1 362 50 50 GLU CB C 28.500 0.400 1 363 50 50 GLU CG C 34.600 0.400 1 364 50 50 GLU N N 118.700 0.400 1 365 51 51 VAL H H 8.216 0.020 1 366 51 51 VAL HA H 4.273 0.020 1 367 51 51 VAL HB H 1.850 0.020 1 368 51 51 VAL HG1 H 0.739 0.020 . 369 51 51 VAL HG2 H 0.809 0.020 . 370 51 51 VAL CA C 59.380 0.400 1 371 51 51 VAL CB C 30.250 0.400 1 372 51 51 VAL CG1 C 18.800 0.400 2 373 51 51 VAL CG2 C 18.680 0.400 2 374 51 51 VAL N N 118.593 0.400 1 375 52 52 GLY H H 8.630 0.020 1 376 52 52 GLY HA2 H 3.513 0.020 2 377 52 52 GLY HA3 H 4.389 0.020 2 378 52 52 GLY CA C 42.690 0.400 1 379 52 52 GLY N N 110.908 0.400 1 380 53 53 HIS H H 6.855 0.020 1 381 53 53 HIS HA H 4.590 0.020 1 382 53 53 HIS HB2 H 3.100 0.020 2 383 53 53 HIS HB3 H 3.160 0.020 2 384 53 53 HIS HD1 H 8.600 0.020 1 385 53 53 HIS HD2 H 6.900 0.020 1 386 53 53 HIS CA C 52.450 0.400 1 387 53 53 HIS CB C 28.040 0.400 1 388 53 53 HIS N N 113.633 0.400 1 389 54 54 TYR H H 8.054 0.020 1 390 54 54 TYR HA H 4.170 0.020 1 391 54 54 TYR HD1 H 7.060 0.020 1 392 54 54 TYR HD2 H 7.060 0.020 1 393 54 54 TYR CA C 53.800 0.400 1 394 54 54 TYR CB C 36.629 0.400 1 395 54 54 TYR N N 115.154 0.400 1 396 55 55 ARG H H 8.490 0.020 1 397 55 55 ARG HA H 3.599 0.020 1 398 55 55 ARG HB2 H 2.585 0.020 1 399 55 55 ARG CA C 55.823 0.400 1 400 55 55 ARG CB C 26.221 0.400 1 401 55 55 ARG N N 126.509 0.400 1 402 56 56 SER H H 8.247 0.020 1 403 56 56 SER CA C 56.523 0.400 1 404 56 56 SER CB C 62.261 0.400 1 405 56 56 SER N N 116.450 0.400 1 406 57 57 GLN H H 8.702 0.020 1 407 57 57 GLN HA H 4.174 0.020 1 408 57 57 GLN HB2 H 1.567 0.020 2 409 57 57 GLN HB3 H 2.322 0.020 2 410 57 57 GLN CA C 53.610 0.400 1 411 57 57 GLN CB C 27.060 0.400 1 412 57 57 GLN N N 124.678 0.400 1 413 58 58 CYS H H 7.694 0.020 1 414 58 58 CYS HA H 4.416 0.020 1 415 58 58 CYS HB2 H 1.923 0.020 2 416 58 58 CYS HB3 H 2.187 0.020 2 417 58 58 CYS CA C 55.001 0.400 1 418 58 58 CYS CB C 31.080 0.400 1 419 58 58 CYS N N 126.577 0.400 1 420 62 62 TRP CA C 59.791 0.400 1 421 62 62 TRP CB C 27.411 0.400 1 422 63 63 LYS H H 8.033 0.020 1 423 63 63 LYS CA C 52.372 0.400 1 424 63 63 LYS CB C 27.792 0.400 1 425 63 63 LYS N N 121.641 0.400 1 426 64 64 LYS H H 8.104 0.020 1 427 64 64 LYS CA C 53.743 0.400 1 428 64 64 LYS N N 111.775 0.400 1 429 65 65 VAL H H 8.306 0.020 1 430 65 65 VAL HA H 4.040 0.020 1 431 65 65 VAL HG1 H 0.778 0.020 . 432 65 65 VAL HG2 H 0.803 0.020 . 433 65 65 VAL CA C 59.290 0.400 1 434 65 65 VAL CB C 29.411 0.400 1 435 65 65 VAL CG1 C 18.620 0.400 2 436 65 65 VAL CG2 C 18.090 0.400 2 437 65 65 VAL N N 122.037 0.400 1 438 66 66 GLN H H 8.360 0.020 1 439 66 66 GLN CA C 53.603 0.400 1 440 66 66 GLN CB C 30.300 0.400 1 441 66 66 GLN N N 121.994 0.400 1 442 67 67 CYS H H 8.032 0.020 1 443 67 67 CYS HA H 4.039 0.020 1 444 67 67 CYS HB2 H 1.667 0.020 2 445 67 67 CYS HB3 H 1.894 0.020 2 446 67 67 CYS CA C 59.215 0.400 1 447 67 67 CYS CB C 30.532 0.400 1 448 67 67 CYS N N 121.582 0.400 1 449 68 68 THR HA H 4.046 0.020 1 450 68 68 THR HB H 4.290 0.020 1 451 68 68 THR HG2 H 1.280 0.020 . 452 68 68 THR CA C 61.228 0.400 1 453 68 68 THR CB C 65.371 0.400 1 454 68 68 THR CG2 C 20.348 0.400 1 455 69 69 LEU H H 9.024 0.020 1 456 69 69 LEU HA H 4.382 0.020 1 457 69 69 LEU HB2 H 1.388 0.020 2 458 69 69 LEU HB3 H 2.129 0.020 2 459 69 69 LEU HG H 1.551 0.020 1 460 69 69 LEU HD1 H 0.733 0.020 . 461 69 69 LEU HD2 H 0.835 0.020 . 462 69 69 LEU CA C 54.429 0.400 1 463 69 69 LEU CB C 39.790 0.400 1 464 69 69 LEU CG C 24.470 0.400 1 465 69 69 LEU CD1 C 20.310 0.400 2 466 69 69 LEU CD2 C 23.070 0.400 2 467 69 69 LEU N N 124.335 0.400 1 468 70 70 CYS H H 8.716 0.020 1 469 70 70 CYS HA H 4.336 0.020 1 470 70 70 CYS HB2 H 1.562 0.020 2 471 70 70 CYS HB3 H 1.861 0.020 2 472 70 70 CYS CA C 53.145 0.400 1 473 70 70 CYS CB C 29.863 0.400 1 474 70 70 CYS N N 118.876 0.400 1 475 71 71 LYS H H 8.505 0.020 1 476 71 71 LYS HA H 4.167 0.020 1 477 71 71 LYS HB2 H 2.150 0.020 2 478 71 71 LYS HB3 H 2.250 0.020 2 479 71 71 LYS HD2 H 1.748 0.020 2 480 71 71 LYS HD3 H 2.027 0.020 2 481 71 71 LYS CA C 53.835 0.400 1 482 71 71 LYS CB C 33.520 0.400 1 483 71 71 LYS CD C 27.180 0.400 1 484 71 71 LYS N N 122.961 0.400 1 485 74 74 LYS CA C 56.238 0.400 1 486 74 74 LYS CB C 31.243 0.400 1 487 75 75 HIS H H 6.732 0.020 1 488 75 75 HIS HA H 4.460 0.020 1 489 75 75 HIS HB2 H 2.940 0.020 1 490 75 75 HIS HB3 H 2.940 0.020 1 491 75 75 HIS HD2 H 6.810 0.020 1 492 75 75 HIS CA C 52.255 0.400 1 493 75 75 HIS CB C 28.700 0.400 1 494 75 75 HIS N N 111.915 0.400 1 495 78 78 GLU H H 8.831 0.020 1 496 78 78 GLU HA H 4.010 0.020 1 497 78 78 GLU HB2 H 1.870 0.020 2 498 78 78 GLU HB3 H 1.940 0.020 2 499 78 78 GLU HG2 H 2.240 0.020 1 500 78 78 GLU HG3 H 2.240 0.020 1 501 78 78 GLU CA C 56.480 0.400 1 502 78 78 GLU CB C 34.350 0.400 1 503 78 78 GLU CG C 34.350 0.400 1 504 78 78 GLU N N 118.980 0.400 1 505 81 81 PRO HA H 4.280 0.020 1 506 81 81 PRO HB2 H 1.800 0.020 2 507 81 81 PRO HB3 H 2.094 0.020 2 508 81 81 PRO CA C 61.512 0.400 1 509 81 81 PRO CB C 29.514 0.400 1 510 82 82 SER H H 8.684 0.020 1 511 82 82 SER HA H 4.105 0.020 1 512 82 82 SER HB2 H 3.826 0.020 1 513 82 82 SER HB3 H 3.826 0.020 1 514 82 82 SER CA C 58.317 0.400 1 515 82 82 SER CB C 60.104 0.400 1 516 82 82 SER N N 116.172 0.400 1 517 83 83 ILE H H 7.424 0.020 1 518 83 83 ILE CA C 59.168 0.400 1 519 83 83 ILE CB C 38.482 0.400 1 520 83 83 ILE N N 118.847 0.400 1 521 84 84 TRP H H 8.131 0.020 1 522 84 84 TRP CA C 54.593 0.400 1 523 84 84 TRP CB C 25.868 0.400 1 524 84 84 TRP N N 115.140 0.400 1 525 85 85 ARG H H 7.884 0.020 1 526 85 85 ARG CA C 51.218 0.400 1 527 85 85 ARG CB C 29.330 0.400 1 528 85 85 ARG N N 118.936 0.400 1 529 86 86 ALA HA H 3.970 0.020 1 530 86 86 ALA HB H 1.130 0.020 . 531 86 86 ALA CA C 50.020 0.400 1 532 86 86 ALA CB C 16.400 0.400 1 533 87 87 TYR H H 7.733 0.020 1 534 87 87 TYR HA H 4.456 0.020 1 535 87 87 TYR HB2 H 2.406 0.020 2 536 87 87 TYR HB3 H 2.884 0.020 2 537 87 87 TYR CA C 54.928 0.400 1 538 87 87 TYR CB C 40.012 0.400 1 539 87 87 TYR N N 117.965 0.400 1 540 89 89 LEU CA C 55.641 0.400 1 541 89 89 LEU CB C 36.799 0.400 1 542 90 90 VAL H H 8.944 0.020 1 543 90 90 VAL CA C 59.110 0.400 1 544 90 90 VAL CB C 30.127 0.400 1 545 90 90 VAL N N 118.969 0.400 1 546 91 91 ASP H H 8.320 0.020 1 547 91 91 ASP CA C 49.968 0.400 1 548 91 91 ASP CB C 38.862 0.400 1 549 91 91 ASP N N 127.947 0.400 1 550 92 92 ASP CA C 52.018 0.400 1 551 92 92 ASP CB C 38.447 0.400 1 552 93 93 ASN H H 8.396 0.020 1 553 93 93 ASN CA C 51.153 0.400 1 554 93 93 ASN CB C 36.371 0.400 1 555 93 93 ASN N N 118.727 0.400 1 556 94 94 GLU H H 8.266 0.020 1 557 94 94 GLU CA C 54.389 0.400 1 558 94 94 GLU CB C 27.270 0.400 1 559 94 94 GLU N N 120.824 0.400 1 560 95 95 LYS H H 8.055 0.020 1 561 95 95 LYS HA H 4.156 0.020 1 562 95 95 LYS HB2 H 1.615 0.020 2 563 95 95 LYS HB3 H 1.712 0.020 2 564 95 95 LYS CA C 53.841 0.400 1 565 95 95 LYS CB C 30.173 0.400 1 566 95 95 LYS N N 121.079 0.400 1 567 96 96 ALA H H 8.053 0.020 1 568 96 96 ALA HA H 4.202 0.020 1 569 96 96 ALA HB H 1.271 0.020 . 570 96 96 ALA CA C 49.727 0.400 1 571 96 96 ALA CB C 16.752 0.400 1 572 96 96 ALA N N 124.103 0.400 1 573 97 97 LYS H H 8.091 0.020 1 574 97 97 LYS HA H 4.885 0.020 1 575 97 97 LYS CA C 51.459 0.400 1 576 97 97 LYS N N 121.893 0.400 1 577 98 98 PRO HA H 4.436 0.020 1 578 98 98 PRO HB2 H 1.770 0.020 2 579 98 98 PRO HB3 H 1.487 0.020 2 580 98 98 PRO CA C 60.025 0.400 1 581 98 98 PRO CB C 29.542 0.400 1 582 99 99 LYS H H 8.241 0.020 1 583 99 99 LYS HA H 4.365 0.020 1 584 99 99 LYS HB2 H 2.523 0.020 2 585 99 99 LYS HB3 H 2.265 0.020 2 586 99 99 LYS HD2 H 1.953 0.020 2 587 99 99 LYS HD3 H 2.110 0.020 2 588 99 99 LYS CA C 52.659 0.400 1 589 99 99 LYS CB C 31.973 0.400 1 590 99 99 LYS CD C 28.029 0.400 1 591 99 99 LYS N N 121.497 0.400 1 592 102 102 PRO HA H 4.267 0.020 1 593 102 102 PRO HB2 H 1.511 0.020 2 594 102 102 PRO HB3 H 1.764 0.020 2 595 102 102 PRO CA C 61.403 0.400 1 596 102 102 PRO CB C 29.457 0.400 1 597 103 103 PHE H H 8.675 0.020 1 598 103 103 PHE CA C 56.059 0.400 1 599 103 103 PHE N N 118.755 0.400 1 600 105 105 THR HA H 4.630 0.020 1 601 105 105 THR HB H 4.646 0.020 1 602 105 105 THR CA C 59.356 0.400 1 603 105 105 THR CB C 67.299 0.400 1 604 106 106 ILE H H 7.833 0.020 1 605 106 106 ILE HA H 4.631 0.020 1 606 106 106 ILE CA C 57.730 0.400 1 607 106 106 ILE CB C 36.907 0.400 1 608 106 106 ILE N N 124.035 0.400 1 609 107 107 TYR H H 8.925 0.020 1 610 107 107 TYR HA H 4.540 0.020 1 611 107 107 TYR HB2 H 2.950 0.020 2 612 107 107 TYR HB3 H 3.390 0.020 2 613 107 107 TYR HD1 H 7.190 0.020 1 614 107 107 TYR HD2 H 7.190 0.020 1 615 107 107 TYR HE1 H 6.620 0.020 1 616 107 107 TYR HE2 H 6.620 0.020 1 617 107 107 TYR CA C 55.828 0.400 1 618 107 107 TYR CB C 37.240 0.400 1 619 107 107 TYR N N 118.339 0.400 1 620 108 108 CYS H H 8.335 0.020 1 621 108 108 CYS HA H 4.120 0.020 1 622 108 108 CYS HB2 H 1.950 0.020 2 623 108 108 CYS HB3 H 2.855 0.020 2 624 108 108 CYS CA C 55.950 0.400 1 625 108 108 CYS CB C 27.900 0.400 1 626 108 108 CYS N N 130.380 0.400 1 627 109 109 TYR H H 8.011 0.020 1 628 109 109 TYR HA H 4.400 0.020 1 629 109 109 TYR HB2 H 2.930 0.020 2 630 109 109 TYR HB3 H 3.350 0.020 2 631 109 109 TYR HD1 H 7.070 0.020 1 632 109 109 TYR HD2 H 7.070 0.020 1 633 109 109 TYR CA C 56.270 0.400 1 634 109 109 TYR CB C 34.500 0.400 1 635 109 109 TYR N N 126.618 0.400 1 636 110 110 ASN H H 9.284 0.020 1 637 110 110 ASN HA H 4.802 0.020 1 638 110 110 ASN HB2 H 2.364 0.020 2 639 110 110 ASN HB3 H 2.860 0.020 2 640 110 110 ASN CA C 53.569 0.400 1 641 110 110 ASN CB C 37.922 0.400 1 642 110 110 ASN N N 125.398 0.400 1 643 111 111 CYS H H 9.171 0.020 1 644 111 111 CYS HA H 4.910 0.020 1 645 111 111 CYS HB2 H 2.520 0.020 2 646 111 111 CYS HB3 H 3.240 0.020 2 647 111 111 CYS CA C 55.986 0.400 1 648 111 111 CYS CB C 30.172 0.400 1 649 111 111 CYS N N 118.921 0.400 1 650 112 112 GLY H H 7.840 0.020 1 651 112 112 GLY HA2 H 3.750 0.020 2 652 112 112 GLY HA3 H 4.030 0.020 2 653 112 112 GLY CA C 43.281 0.400 1 654 112 112 GLY N N 114.064 0.400 1 655 113 113 GLY H H 9.023 0.020 1 656 113 113 GLY HA2 H 4.013 0.020 2 657 113 113 GLY HA3 H 3.510 0.020 2 658 113 113 GLY CA C 41.193 0.400 1 659 113 113 GLY N N 112.541 0.400 1 660 114 114 LYS H H 8.200 0.020 1 661 114 114 LYS HA H 4.260 0.020 1 662 114 114 LYS HB2 H 1.370 0.020 2 663 114 114 LYS HB3 H 1.490 0.020 2 664 114 114 LYS HG2 H 0.994 0.020 1 665 114 114 LYS HG3 H 0.994 0.020 1 666 114 114 LYS CA C 52.750 0.400 1 667 114 114 LYS CB C 31.680 0.400 1 668 114 114 LYS CG C 22.310 0.400 1 669 114 114 LYS N N 119.130 0.400 1 670 115 115 GLY H H 8.501 0.020 1 671 115 115 GLY HA2 H 3.510 0.020 2 672 115 115 GLY HA3 H 4.070 0.020 2 673 115 115 GLY CA C 43.073 0.400 1 674 115 115 GLY N N 108.864 0.400 1 675 116 116 HIS H H 6.665 0.020 1 676 116 116 HIS HA H 4.431 0.020 1 677 116 116 HIS HB2 H 2.964 0.020 2 678 116 116 HIS HB3 H 3.090 0.020 2 679 116 116 HIS HD1 H 6.934 0.020 1 680 116 116 HIS HE1 H 7.770 0.020 1 681 116 116 HIS CA C 52.400 0.400 1 682 116 116 HIS CB C 27.530 0.400 1 683 116 116 HIS N N 113.173 0.400 1 684 117 117 PHE H H 8.529 0.020 1 685 117 117 PHE HA H 4.680 0.020 1 686 117 117 PHE HB2 H 2.840 0.020 2 687 117 117 PHE HB3 H 3.320 0.020 2 688 117 117 PHE CA C 54.084 0.400 1 689 117 117 PHE CB C 38.264 0.400 1 690 117 117 PHE N N 116.353 0.400 1 691 118 118 GLY H H 8.870 0.020 1 692 118 118 GLY HA2 H 4.640 0.020 2 693 118 118 GLY HA3 H 4.640 0.020 2 694 118 118 GLY CA C 45.361 0.400 1 695 118 118 GLY N N 108.977 0.400 1 696 119 119 ASP H H 7.892 0.020 1 697 119 119 ASP HA H 4.344 0.020 1 698 119 119 ASP HB2 H 2.468 0.020 2 699 119 119 ASP HB3 H 2.698 0.020 2 700 119 119 ASP CA C 53.504 0.400 1 701 119 119 ASP CB C 37.810 0.400 1 702 119 119 ASP N N 117.997 0.400 1 703 120 120 ASP H H 7.730 0.020 1 704 120 120 ASP HA H 4.855 0.020 1 705 120 120 ASP HB2 H 2.406 0.020 2 706 120 120 ASP HB3 H 2.886 0.020 2 707 120 120 ASP CA C 50.685 0.400 1 708 120 120 ASP CB C 40.199 0.400 1 709 120 120 ASP N N 116.782 0.400 1 710 121 121 CYS H H 7.667 0.020 1 711 121 121 CYS HA H 4.780 0.020 1 712 121 121 CYS HB2 H 3.010 0.020 2 713 121 121 CYS HB3 H 3.440 0.020 2 714 121 121 CYS CA C 56.067 0.400 1 715 121 121 CYS CB C 28.200 0.400 1 716 121 121 CYS N N 125.836 0.400 1 stop_ save_