data_15038 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of FK506-binding domain of Plasmodium falciparum FKBP35 ; _BMRB_accession_number 15038 _BMRB_flat_file_name bmr15038.str _Entry_type new _Submission_date 2006-11-19 _Accession_date 2006-11-19 _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 Kang Congbao . . 2 Ye Hong . . 3 Yoon 'Hye Rim' . . 4 Yoon 'Ho Sup' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 757 "13C chemical shifts" 514 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments of FK506-binding domain of Plasmodium falciparum FKBP35' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636818 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang 'Cong Bao' . . 2 Ye Hong . . 3 Yoon 'Hye Rim' . . 4 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27 _Page_last 28 _Year 2007 _Details . loop_ _Keyword NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name pfFKBP35FKBD _Enzyme_commission_number 5.2.1.8 loop_ _Mol_system_component_name _Mol_label pfFKBP35FKBD $pfFKBP35FKBD stop_ _System_molecular_weight 14141 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'peptidylprolyl isomerase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_pfFKBP35FKBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pfFKBP35FKBD _Molecular_mass 14141 _Mol_thiol_state 'all free' loop_ _Biological_function 'peptidylprolyl isomerase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; MTTEQEFEKVELTADGGVIK TILKKGDEGEENIPKKGNEV TVHYVGKLESTGKVFDSSFD RNVPFKFHLEQGEVIKGWDI CVSSMRKNEKCLVRIESMYG YGDEGCGESIPGNSVLLFEI ELLSFRELEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 THR 4 GLU 5 GLN 6 GLU 7 PHE 8 GLU 9 LYS 10 VAL 11 GLU 12 LEU 13 THR 14 ALA 15 ASP 16 GLY 17 GLY 18 VAL 19 ILE 20 LYS 21 THR 22 ILE 23 LEU 24 LYS 25 LYS 26 GLY 27 ASP 28 GLU 29 GLY 30 GLU 31 GLU 32 ASN 33 ILE 34 PRO 35 LYS 36 LYS 37 GLY 38 ASN 39 GLU 40 VAL 41 THR 42 VAL 43 HIS 44 TYR 45 VAL 46 GLY 47 LYS 48 LEU 49 GLU 50 SER 51 THR 52 GLY 53 LYS 54 VAL 55 PHE 56 ASP 57 SER 58 SER 59 PHE 60 ASP 61 ARG 62 ASN 63 VAL 64 PRO 65 PHE 66 LYS 67 PHE 68 HIS 69 LEU 70 GLU 71 GLN 72 GLY 73 GLU 74 VAL 75 ILE 76 LYS 77 GLY 78 TRP 79 ASP 80 ILE 81 CYS 82 VAL 83 SER 84 SER 85 MET 86 ARG 87 LYS 88 ASN 89 GLU 90 LYS 91 CYS 92 LEU 93 VAL 94 ARG 95 ILE 96 GLU 97 SER 98 MET 99 TYR 100 GLY 101 TYR 102 GLY 103 ASP 104 GLU 105 GLY 106 CYS 107 GLY 108 GLU 109 SER 110 ILE 111 PRO 112 GLY 113 ASN 114 SER 115 VAL 116 LEU 117 LEU 118 PHE 119 GLU 120 ILE 121 GLU 122 LEU 123 LEU 124 SER 125 PHE 126 ARG 127 GLU 128 LEU 129 GLU 130 HIS 131 HIS 132 HIS 133 HIS 134 HIS 135 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2OFN "Solution Structure Of Fk506-Binding Domain (Fkbd)of Fkbp35 From Plasmodium Falciparum" 100.00 135 100.00 100.00 1.08e-91 PDB 2VN1 "Crystal Structure Of The Fk506-Binding Domain Of Plasmodium Falciparum Fkbp35 In Complex With Fk506" 95.56 129 100.00 100.00 2.88e-86 PDB 4J4N "Crystal Structure Of Fk506 Binding Domain Of Plasmodium Falciparum Fkbp35 In Complex With D44" 95.56 129 100.00 100.00 2.88e-86 PDB 4QT2 "Crystal Structure Of The Fk506-binding Domain Of Plasmodium Falciparum Fkbp35 In Complex With Rapamycin" 97.04 131 98.47 98.47 3.11e-85 PDB 4QT3 "Crystal Structure Resolution Of Plasmodium Falciparum Fk506 Binding Domain (fkbp35) In Complex With Rapamycin At 1.4a Resolutio" 99.26 134 97.76 97.76 1.15e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $pfFKBP35FKBD 'Plasmodium falciparum' 5833 Eukaryota . Plasmodium falciparum 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 $pfFKBP35FKBD 'purified from the natural source' . . . . pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM in a buffer containing 20 mM Na-PO4, 50 mM NaCl, 1 mM DTT, 0.1mM EDTA, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pfFKBP35FKBD 0.5 mM '[U-13C; U-15N]' Na-PO4 20 mM . NaCl 50 mM . DTT 1 mM . EDTA 0.1 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address 'B Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCC(CO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_(H)CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TOCSY _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 temperature 298 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 20 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a 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_ _Software_label $TOPSPIN $NMRPipe $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D HCC(CO)NH-TOCSY' '3D (H)CC(CO)NH-TOCSY' (H)CCH-TOCSY 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 pfFKBP35FKBD _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 2 2 THR HA H 4.479 0.020 1 2 2 2 THR HB H 4.220 0.020 1 3 2 2 THR HG2 H 1.188 0.020 1 4 2 2 THR C C 174.348 0.300 1 5 2 2 THR CA C 61.838 0.300 1 6 2 2 THR CB C 69.919 0.300 1 7 2 2 THR CG2 C 21.714 0.300 1 8 3 3 THR H H 8.289 0.020 1 9 3 3 THR HA H 4.282 0.020 1 10 3 3 THR HB H 4.201 0.020 1 11 3 3 THR HG2 H 1.175 0.020 1 12 3 3 THR C C 174.404 0.300 1 13 3 3 THR CA C 62.140 0.300 1 14 3 3 THR CB C 69.658 0.300 1 15 3 3 THR CG2 C 21.732 0.300 1 16 3 3 THR N N 116.640 0.300 1 17 4 4 GLU H H 8.567 0.020 1 18 4 4 GLU HA H 4.156 0.020 1 19 4 4 GLU HB2 H 1.996 0.020 2 20 4 4 GLU HB3 H 1.867 0.020 2 21 4 4 GLU HG2 H 2.187 0.020 2 22 4 4 GLU HG3 H 2.276 0.020 2 23 4 4 GLU C C 176.216 0.300 1 24 4 4 GLU CA C 56.929 0.300 1 25 4 4 GLU CB C 29.821 0.300 1 26 4 4 GLU CG C 36.136 0.300 1 27 4 4 GLU N N 123.469 0.300 1 28 5 5 GLN H H 8.222 0.020 1 29 5 5 GLN HA H 4.167 0.020 1 30 5 5 GLN HB2 H 1.824 0.020 2 31 5 5 GLN HB3 H 1.876 0.020 2 32 5 5 GLN HG2 H 2.201 0.020 2 33 5 5 GLN HG3 H 2.186 0.020 2 34 5 5 GLN HE21 H 6.817 0.020 2 35 5 5 GLN HE22 H 7.487 0.020 2 36 5 5 GLN C C 175.216 0.300 1 37 5 5 GLN CA C 55.674 0.300 1 38 5 5 GLN CB C 29.553 0.300 1 39 5 5 GLN CG C 33.773 0.300 1 40 5 5 GLN CD C 180.444 0.300 1 41 5 5 GLN N N 120.797 0.300 1 42 5 5 GLN NE2 N 112.301 0.300 1 43 6 6 GLU H H 8.171 0.020 1 44 6 6 GLU HA H 4.080 0.020 1 45 6 6 GLU HB2 H 1.760 0.020 2 46 6 6 GLU HB3 H 1.802 0.020 2 47 6 6 GLU HG2 H 1.962 0.020 2 48 6 6 GLU HG3 H 2.021 0.020 2 49 6 6 GLU C C 175.870 0.300 1 50 6 6 GLU CA C 56.400 0.300 1 51 6 6 GLU CB C 30.335 0.300 1 52 6 6 GLU CG C 36.084 0.300 1 53 6 6 GLU N N 122.100 0.300 1 54 7 7 PHE H H 8.051 0.020 1 55 7 7 PHE HA H 4.710 0.020 1 56 7 7 PHE HB2 H 2.706 0.020 2 57 7 7 PHE HB3 H 3.186 0.020 2 58 7 7 PHE HD1 H 7.243 0.020 1 59 7 7 PHE HD2 H 7.243 0.020 1 60 7 7 PHE HE1 H 7.275 0.020 1 61 7 7 PHE HE2 H 7.275 0.020 1 62 7 7 PHE HZ H 7.205 0.020 1 63 7 7 PHE C C 175.461 0.300 1 64 7 7 PHE CA C 56.825 0.300 1 65 7 7 PHE CB C 39.812 0.300 1 66 7 7 PHE N N 120.500 0.300 1 67 8 8 GLU H H 8.626 0.020 1 68 8 8 GLU HA H 4.193 0.020 1 69 8 8 GLU HB2 H 1.943 0.020 2 70 8 8 GLU HB3 H 1.987 0.020 2 71 8 8 GLU HG2 H 2.299 0.020 2 72 8 8 GLU HG3 H 2.222 0.020 2 73 8 8 GLU C C 176.141 0.300 1 74 8 8 GLU CA C 56.932 0.300 1 75 8 8 GLU CB C 30.794 0.300 1 76 8 8 GLU CG C 36.180 0.300 1 77 8 8 GLU N N 123.469 0.300 1 78 9 9 LYS H H 8.396 0.020 1 79 9 9 LYS HA H 5.100 0.020 1 80 9 9 LYS HB2 H 1.677 0.020 2 81 9 9 LYS HB3 H 1.628 0.020 2 82 9 9 LYS HG2 H 1.403 0.020 2 83 9 9 LYS HG3 H 1.306 0.020 2 84 9 9 LYS HD2 H 1.620 0.020 1 85 9 9 LYS HD3 H 1.620 0.020 1 86 9 9 LYS HE2 H 2.881 0.020 2 87 9 9 LYS HE3 H 2.919 0.020 2 88 9 9 LYS C C 176.168 0.300 1 89 9 9 LYS CA C 55.428 0.300 1 90 9 9 LYS CB C 34.214 0.300 1 91 9 9 LYS CG C 24.975 0.300 1 92 9 9 LYS CD C 29.629 0.300 1 93 9 9 LYS CE C 41.893 0.300 1 94 9 9 LYS N N 124.954 0.300 1 95 10 10 VAL H H 9.445 0.020 1 96 10 10 VAL HA H 4.278 0.020 1 97 10 10 VAL HB H 1.914 0.020 1 98 10 10 VAL HG1 H 0.854 0.020 2 99 10 10 VAL HG2 H 0.810 0.020 2 100 10 10 VAL C C 174.967 0.300 1 101 10 10 VAL CA C 60.951 0.300 1 102 10 10 VAL CB C 34.681 0.300 1 103 10 10 VAL CG1 C 21.093 0.300 1 104 10 10 VAL CG2 C 20.657 0.300 1 105 10 10 VAL N N 124.360 0.300 1 106 11 11 GLU H H 9.021 0.020 1 107 11 11 GLU HA H 4.369 0.020 1 108 11 11 GLU HB2 H 2.041 0.020 2 109 11 11 GLU HB3 H 1.997 0.020 2 110 11 11 GLU HG2 H 2.301 0.020 2 111 11 11 GLU HG3 H 2.222 0.020 2 112 11 11 GLU C C 174.797 0.300 1 113 11 11 GLU CA C 56.728 0.300 1 114 11 11 GLU CB C 28.655 0.300 1 115 11 11 GLU CG C 36.312 0.300 1 116 11 11 GLU N N 127.924 0.300 1 117 12 12 LEU H H 8.396 0.020 1 118 12 12 LEU HA H 4.311 0.020 1 119 12 12 LEU HB2 H 1.483 0.020 2 120 12 12 LEU HB3 H 1.576 0.020 2 121 12 12 LEU HG H 1.669 0.020 1 122 12 12 LEU HD1 H 0.908 0.020 2 123 12 12 LEU HD2 H 0.824 0.020 2 124 12 12 LEU C C 176.600 0.300 1 125 12 12 LEU CA C 55.292 0.300 1 126 12 12 LEU CB C 42.624 0.300 1 127 12 12 LEU CG C 27.242 0.300 1 128 12 12 LEU CD1 C 25.214 0.300 1 129 12 12 LEU CD2 C 23.334 0.300 1 130 12 12 LEU N N 124.954 0.300 1 131 13 13 THR H H 7.328 0.020 1 132 13 13 THR HA H 4.530 0.020 1 133 13 13 THR HB H 4.241 0.020 1 134 13 13 THR HG2 H 0.775 0.020 1 135 13 13 THR C C 175.180 0.300 1 136 13 13 THR CA C 59.603 0.300 1 137 13 13 THR CB C 70.742 0.300 1 138 13 13 THR CG2 C 23.070 0.300 1 139 13 13 THR N N 106.841 0.300 1 140 14 14 ALA H H 8.689 0.020 1 141 14 14 ALA HA H 4.247 0.020 1 142 14 14 ALA HB H 1.406 0.020 1 143 14 14 ALA C C 177.522 0.300 1 144 14 14 ALA CA C 53.875 0.300 1 145 14 14 ALA CB C 17.920 0.300 1 146 14 14 ALA N N 123.733 0.300 1 147 15 15 ASP H H 7.516 0.020 1 148 15 15 ASP HA H 4.518 0.020 1 149 15 15 ASP HB2 H 2.631 0.020 2 150 15 15 ASP HB3 H 3.150 0.020 2 151 15 15 ASP C C 177.402 0.300 1 152 15 15 ASP CA C 52.635 0.300 1 153 15 15 ASP CB C 40.912 0.300 1 154 15 15 ASP N N 113.967 0.300 1 155 16 16 GLY H H 7.986 0.020 1 156 16 16 GLY HA2 H 4.080 0.020 2 157 16 16 GLY HA3 H 3.529 0.020 2 158 16 16 GLY C C 175.233 0.300 1 159 16 16 GLY CA C 45.798 0.300 1 160 16 16 GLY N N 108.919 0.300 1 161 17 17 GLY H H 8.681 0.020 1 162 17 17 GLY HA2 H 4.513 0.020 1 163 17 17 GLY HA3 H 4.513 0.020 1 164 17 17 GLY C C 172.684 0.300 1 165 17 17 GLY CA C 46.672 0.300 1 166 17 17 GLY N N 108.663 0.300 1 167 18 18 VAL H H 6.903 0.020 1 168 18 18 VAL HA H 4.855 0.020 1 169 18 18 VAL HB H 1.727 0.020 1 170 18 18 VAL HG1 H 0.647 0.020 2 171 18 18 VAL HG2 H 0.313 0.020 2 172 18 18 VAL C C 174.737 0.300 1 173 18 18 VAL CA C 62.035 0.300 1 174 18 18 VAL CB C 33.315 0.300 1 175 18 18 VAL CG1 C 22.218 0.300 1 176 18 18 VAL CG2 C 21.810 0.300 1 177 18 18 VAL N N 117.234 0.300 1 178 19 19 ILE H H 8.243 0.020 1 179 19 19 ILE HA H 4.665 0.020 1 180 19 19 ILE HB H 1.692 0.020 1 181 19 19 ILE HG12 H 1.580 0.020 2 182 19 19 ILE HG13 H 1.566 0.020 2 183 19 19 ILE HG2 H 0.925 0.020 1 184 19 19 ILE HD1 H 0.800 0.020 1 185 19 19 ILE C C 174.360 0.300 1 186 19 19 ILE CA C 60.736 0.300 1 187 19 19 ILE CB C 41.856 0.300 1 188 19 19 ILE CG1 C 27.851 0.300 1 189 19 19 ILE CG2 C 17.013 0.300 1 190 19 19 ILE CD1 C 14.018 0.300 1 191 19 19 ILE N N 126.439 0.300 1 192 20 20 LYS H H 9.345 0.020 1 193 20 20 LYS HA H 5.296 0.020 1 194 20 20 LYS HB2 H 1.769 0.020 2 195 20 20 LYS HB3 H 1.470 0.020 2 196 20 20 LYS HG2 H 1.062 0.020 2 197 20 20 LYS HG3 H 1.100 0.020 2 198 20 20 LYS HD2 H 1.630 0.020 2 199 20 20 LYS HD3 H 1.707 0.020 2 200 20 20 LYS HE2 H 2.379 0.020 2 201 20 20 LYS HE3 H 2.708 0.020 2 202 20 20 LYS C C 173.618 0.300 1 203 20 20 LYS CA C 54.842 0.300 1 204 20 20 LYS CB C 36.261 0.300 1 205 20 20 LYS CG C 26.334 0.300 1 206 20 20 LYS CD C 28.970 0.300 1 207 20 20 LYS CE C 42.461 0.300 1 208 20 20 LYS N N 129.408 0.300 1 209 21 21 THR H H 9.597 0.020 1 210 21 21 THR HA H 4.923 0.020 1 211 21 21 THR HB H 4.000 0.020 1 212 21 21 THR HG2 H 1.001 0.020 1 213 21 21 THR C C 174.648 0.300 1 214 21 21 THR CA C 61.703 0.300 1 215 21 21 THR CB C 70.230 0.300 1 216 21 21 THR CG2 C 21.347 0.300 1 217 21 21 THR N N 123.469 0.300 1 218 22 22 ILE H H 9.248 0.020 1 219 22 22 ILE HA H 3.637 0.020 1 220 22 22 ILE HB H 1.847 0.020 1 221 22 22 ILE HG12 H 1.528 0.020 2 222 22 22 ILE HG13 H 1.553 0.020 2 223 22 22 ILE HG2 H 0.836 0.020 1 224 22 22 ILE HD1 H 0.753 0.020 1 225 22 22 ILE C C 174.348 0.300 1 226 22 22 ILE CA C 64.258 0.300 1 227 22 22 ILE CB C 37.551 0.300 1 228 22 22 ILE CG1 C 28.517 0.300 1 229 22 22 ILE CG2 C 17.307 0.300 1 230 22 22 ILE CD1 C 13.020 0.300 1 231 22 22 ILE N N 128.517 0.300 1 232 23 23 LEU H H 8.498 0.020 1 233 23 23 LEU HA H 4.180 0.020 1 234 23 23 LEU HB2 H 1.337 0.020 2 235 23 23 LEU HB3 H 1.198 0.020 2 236 23 23 LEU HG H 1.448 0.020 1 237 23 23 LEU HD1 H 0.698 0.020 2 238 23 23 LEU HD2 H 0.396 0.020 2 239 23 23 LEU C C 177.521 0.300 1 240 23 23 LEU CA C 55.460 0.300 1 241 23 23 LEU CB C 42.239 0.300 1 242 23 23 LEU CG C 26.868 0.300 1 243 23 23 LEU CD1 C 25.625 0.300 1 244 23 23 LEU CD2 C 21.693 0.300 1 245 23 23 LEU N N 128.517 0.300 1 246 24 24 LYS H H 8.020 0.020 1 247 24 24 LYS HA H 4.392 0.020 1 248 24 24 LYS HB2 H 1.727 0.020 2 249 24 24 LYS HB3 H 1.698 0.020 2 250 24 24 LYS HG2 H 1.451 0.020 2 251 24 24 LYS HG3 H 1.410 0.020 2 252 24 24 LYS HD2 H 1.664 0.020 2 253 24 24 LYS HD3 H 1.649 0.020 2 254 24 24 LYS HE2 H 2.959 0.020 2 255 24 24 LYS HE3 H 2.955 0.020 2 256 24 24 LYS C C 174.465 0.300 1 257 24 24 LYS CA C 55.848 0.300 1 258 24 24 LYS CB C 35.692 0.300 1 259 24 24 LYS CG C 24.462 0.300 1 260 24 24 LYS CD C 29.711 0.300 1 261 24 24 LYS CE C 42.324 0.300 1 262 24 24 LYS N N 120.797 0.300 1 263 25 25 LYS H H 8.657 0.020 1 264 25 25 LYS HA H 4.178 0.020 1 265 25 25 LYS HB2 H 1.700 0.020 2 266 25 25 LYS HB3 H 1.765 0.020 2 267 25 25 LYS HG2 H 1.518 0.020 2 268 25 25 LYS HG3 H 1.519 0.020 2 269 25 25 LYS HD2 H 1.830 0.020 2 270 25 25 LYS HD3 H 1.883 0.020 2 271 25 25 LYS HE2 H 2.992 0.020 2 272 25 25 LYS HE3 H 2.968 0.020 2 273 25 25 LYS C C 177.616 0.300 1 274 25 25 LYS CA C 57.218 0.300 1 275 25 25 LYS CB C 32.846 0.300 1 276 25 25 LYS CG C 25.160 0.300 1 277 25 25 LYS CD C 29.660 0.300 1 278 25 25 LYS CE C 41.874 0.300 1 279 25 25 LYS N N 126.439 0.300 1 280 26 26 GLY H H 9.728 0.020 1 281 26 26 GLY HA2 H 3.408 0.020 2 282 26 26 GLY HA3 H 4.120 0.020 2 283 26 26 GLY C C 173.278 0.300 1 284 26 26 GLY CA C 43.709 0.300 1 285 26 26 GLY N N 110.404 0.300 1 286 27 27 ASP H H 8.550 0.020 1 287 27 27 ASP HA H 4.401 0.020 1 288 27 27 ASP HB2 H 2.304 0.020 2 289 27 27 ASP HB3 H 2.686 0.020 2 290 27 27 ASP C C 175.993 0.300 1 291 27 27 ASP CA C 55.105 0.300 1 292 27 27 ASP CB C 41.688 0.300 1 293 27 27 ASP N N 121.391 0.300 1 294 28 28 GLU H H 8.419 0.020 1 295 28 28 GLU HA H 4.063 0.020 1 296 28 28 GLU HB2 H 2.023 0.020 2 297 28 28 GLU HB3 H 1.907 0.020 2 298 28 28 GLU HG2 H 2.301 0.020 2 299 28 28 GLU HG3 H 2.243 0.020 2 300 28 28 GLU C C 176.146 0.300 1 301 28 28 GLU CA C 57.076 0.300 1 302 28 28 GLU CB C 30.774 0.300 1 303 28 28 GLU CG C 36.413 0.300 1 304 28 28 GLU N N 120.203 0.300 1 305 29 29 GLY H H 8.364 0.020 1 306 29 29 GLY HA2 H 4.758 0.020 2 307 29 29 GLY HA3 H 4.584 0.020 2 308 29 29 GLY C C 175.976 0.300 1 309 29 29 GLY CA C 44.686 0.300 1 310 29 29 GLY N N 110.404 0.300 1 311 30 30 GLU H H 8.867 0.020 1 312 30 30 GLU HA H 3.749 0.020 1 313 30 30 GLU HB2 H 2.052 0.020 1 314 30 30 GLU HB3 H 2.052 0.020 1 315 30 30 GLU HG2 H 2.324 0.020 1 316 30 30 GLU HG3 H 2.324 0.020 1 317 30 30 GLU C C 177.872 0.300 1 318 30 30 GLU CA C 59.045 0.300 1 319 30 30 GLU CB C 29.030 0.300 1 320 30 30 GLU CG C 36.349 0.300 1 321 30 30 GLU N N 125.251 0.300 1 322 31 31 GLU H H 9.842 0.020 1 323 31 31 GLU HA H 4.312 0.020 1 324 31 31 GLU HB2 H 2.122 0.020 2 325 31 31 GLU HB3 H 2.099 0.020 2 326 31 31 GLU HG2 H 2.220 0.020 2 327 31 31 GLU HG3 H 2.222 0.020 2 328 31 31 GLU C C 176.330 0.300 1 329 31 31 GLU CA C 57.437 0.300 1 330 31 31 GLU CB C 28.040 0.300 1 331 31 31 GLU CG C 35.517 0.300 1 332 31 31 GLU N N 118.421 0.300 1 333 32 32 ASN H H 7.731 0.020 1 334 32 32 ASN HA H 5.127 0.020 1 335 32 32 ASN HB2 H 2.582 0.020 2 336 32 32 ASN HB3 H 2.974 0.020 2 337 32 32 ASN HD21 H 7.254 0.020 2 338 32 32 ASN HD22 H 7.057 0.020 2 339 32 32 ASN C C 172.750 0.300 1 340 32 32 ASN CA C 54.111 0.300 1 341 32 32 ASN CB C 40.161 0.300 1 342 32 32 ASN N N 116.937 0.300 1 343 32 32 ASN ND2 N 116.310 0.300 1 344 33 33 ILE H H 7.105 0.020 1 345 33 33 ILE HA H 4.793 0.020 1 346 33 33 ILE HB H 1.626 0.020 1 347 33 33 ILE HG12 H 1.626 0.020 2 348 33 33 ILE HG13 H 1.510 0.020 2 349 33 33 ILE HG2 H 0.849 0.020 1 350 33 33 ILE HD1 H 0.761 0.020 1 351 33 33 ILE CA C 57.895 0.300 1 352 33 33 ILE CB C 40.609 0.300 1 353 33 33 ILE CG1 C 27.714 0.300 1 354 33 33 ILE CG2 C 15.631 0.300 1 355 33 33 ILE CD1 C 13.427 0.300 1 356 33 33 ILE N N 121.985 0.300 1 357 34 34 PRO HA H 4.065 0.020 1 358 34 34 PRO HB2 H 2.311 0.020 2 359 34 34 PRO HB3 H 2.329 0.020 2 360 34 34 PRO HG2 H 1.812 0.020 2 361 34 34 PRO HG3 H 1.843 0.020 2 362 34 34 PRO HD2 H 3.515 0.020 2 363 34 34 PRO HD3 H 3.583 0.020 2 364 34 34 PRO C C 173.754 0.300 1 365 34 34 PRO CA C 61.962 0.300 1 366 34 34 PRO CB C 31.877 0.300 1 367 34 34 PRO CG C 26.415 0.300 1 368 34 34 PRO CD C 50.148 0.300 1 369 35 35 LYS H H 7.101 0.020 1 370 35 35 LYS HA H 4.377 0.020 1 371 35 35 LYS HB2 H 1.479 0.020 2 372 35 35 LYS HB3 H 1.790 0.020 2 373 35 35 LYS HG2 H 1.406 0.020 2 374 35 35 LYS HG3 H 1.309 0.020 2 375 35 35 LYS HD2 H 1.520 0.020 2 376 35 35 LYS HD3 H 1.609 0.020 2 377 35 35 LYS HE2 H 2.979 0.020 1 378 35 35 LYS HE3 H 2.979 0.020 1 379 35 35 LYS C C 175.712 0.300 1 380 35 35 LYS CA C 53.404 0.300 1 381 35 35 LYS CB C 35.229 0.300 1 382 35 35 LYS CG C 25.114 0.300 1 383 35 35 LYS CD C 27.927 0.300 1 384 35 35 LYS CE C 42.458 0.300 1 385 35 35 LYS N N 116.046 0.300 1 386 36 36 LYS H H 8.144 0.020 1 387 36 36 LYS HA H 3.515 0.020 1 388 36 36 LYS HB2 H 1.610 0.020 2 389 36 36 LYS HB3 H 1.656 0.020 2 390 36 36 LYS HG2 H 1.163 0.020 2 391 36 36 LYS HG3 H 1.191 0.020 2 392 36 36 LYS HD2 H 1.455 0.020 2 393 36 36 LYS HD3 H 1.791 0.020 2 394 36 36 LYS HE2 H 2.998 0.020 2 395 36 36 LYS HE3 H 2.980 0.020 2 396 36 36 LYS C C 176.774 0.300 1 397 36 36 LYS CA C 58.608 0.300 1 398 36 36 LYS CB C 32.089 0.300 1 399 36 36 LYS CG C 24.135 0.300 1 400 36 36 LYS CD C 29.474 0.300 1 401 36 36 LYS CE C 41.918 0.300 1 402 36 36 LYS N N 120.797 0.300 1 403 37 37 GLY H H 9.113 0.020 1 404 37 37 GLY HA2 H 3.494 0.020 2 405 37 37 GLY HA3 H 4.330 0.020 2 406 37 37 GLY C C 175.329 0.300 1 407 37 37 GLY CA C 44.853 0.300 1 408 37 37 GLY N N 113.967 0.300 1 409 38 38 ASN H H 8.447 0.020 1 410 38 38 ASN HA H 4.663 0.020 1 411 38 38 ASN HB2 H 2.659 0.020 2 412 38 38 ASN HB3 H 2.624 0.020 2 413 38 38 ASN HD21 H 7.405 0.020 2 414 38 38 ASN HD22 H 7.197 0.020 2 415 38 38 ASN C C 174.878 0.300 1 416 38 38 ASN CA C 53.557 0.300 1 417 38 38 ASN CB C 39.155 0.300 1 418 38 38 ASN CG C 176.447 0.300 1 419 38 38 ASN N N 117.828 0.300 1 420 38 38 ASN ND2 N 110.734 0.300 1 421 39 39 GLU H H 8.331 0.020 1 422 39 39 GLU HA H 4.254 0.020 1 423 39 39 GLU HB2 H 1.850 0.020 2 424 39 39 GLU HB3 H 1.921 0.020 2 425 39 39 GLU HG2 H 1.707 0.020 2 426 39 39 GLU HG3 H 1.581 0.020 2 427 39 39 GLU C C 175.656 0.300 1 428 39 39 GLU CA C 55.804 0.300 1 429 39 39 GLU CB C 31.464 0.300 1 430 39 39 GLU CG C 37.173 0.300 1 431 39 39 GLU N N 121.094 0.300 1 432 40 40 VAL H H 9.138 0.020 1 433 40 40 VAL HA H 4.699 0.020 1 434 40 40 VAL HB H 1.550 0.020 1 435 40 40 VAL HG1 H 0.584 0.020 2 436 40 40 VAL HG2 H -0.031 0.020 2 437 40 40 VAL C C 173.240 0.300 1 438 40 40 VAL CA C 59.559 0.300 1 439 40 40 VAL CB C 32.896 0.300 1 440 40 40 VAL CG1 C 22.672 0.300 1 441 40 40 VAL CG2 C 19.505 0.300 1 442 40 40 VAL N N 125.845 0.300 1 443 41 41 THR H H 8.328 0.020 1 444 41 41 THR HA H 4.982 0.020 1 445 41 41 THR HB H 3.924 0.020 1 446 41 41 THR HG2 H 0.906 0.020 1 447 41 41 THR C C 174.455 0.300 1 448 41 41 THR CA C 61.964 0.300 1 449 41 41 THR CB C 69.623 0.300 1 450 41 41 THR CG2 C 22.108 0.300 1 451 41 41 THR N N 117.531 0.300 1 452 42 42 VAL H H 9.581 0.020 1 453 42 42 VAL HA H 5.669 0.020 1 454 42 42 VAL HB H 2.237 0.020 1 455 42 42 VAL HG1 H 1.100 0.020 2 456 42 42 VAL HG2 H 0.801 0.020 2 457 42 42 VAL C C 174.919 0.300 1 458 42 42 VAL CA C 57.930 0.300 1 459 42 42 VAL CB C 35.321 0.300 1 460 42 42 VAL CG1 C 19.448 0.300 1 461 42 42 VAL CG2 C 21.912 0.300 1 462 42 42 VAL N N 117.828 0.300 1 463 43 43 HIS H H 8.333 0.020 1 464 43 43 HIS HA H 5.407 0.020 1 465 43 43 HIS HB2 H 2.210 0.020 2 466 43 43 HIS HB3 H 2.518 0.020 2 467 43 43 HIS C C 176.136 0.300 1 468 43 43 HIS CA C 54.147 0.300 1 469 43 43 HIS CB C 35.339 0.300 1 470 43 43 HIS N N 119.906 0.300 1 471 44 44 TYR H H 9.622 0.020 1 472 44 44 TYR HA H 6.247 0.020 1 473 44 44 TYR HB2 H 2.756 0.020 2 474 44 44 TYR HB3 H 3.005 0.020 2 475 44 44 TYR HD1 H 6.949 0.020 1 476 44 44 TYR HD2 H 6.949 0.020 1 477 44 44 TYR HE1 H 6.565 0.020 1 478 44 44 TYR HE2 H 6.565 0.020 1 479 44 44 TYR C C 172.857 0.300 1 480 44 44 TYR CA C 56.304 0.300 1 481 44 44 TYR CB C 43.537 0.300 1 482 44 44 TYR N N 117.234 0.300 1 483 45 45 VAL H H 8.735 0.020 1 484 45 45 VAL HA H 4.520 0.020 1 485 45 45 VAL HB H 2.100 0.020 1 486 45 45 VAL HG1 H 1.060 0.020 2 487 45 45 VAL HG2 H 1.138 0.020 2 488 45 45 VAL C C 175.200 0.300 1 489 45 45 VAL CA C 62.212 0.300 1 490 45 45 VAL CB C 35.550 0.300 1 491 45 45 VAL CG1 C 20.437 0.300 1 492 45 45 VAL CG2 C 21.641 0.300 1 493 45 45 VAL N N 118.125 0.300 1 494 46 46 GLY H H 9.126 0.020 1 495 46 46 GLY HA2 H 4.539 0.020 2 496 46 46 GLY HA3 H 4.506 0.020 2 497 46 46 GLY C C 170.771 0.300 1 498 46 46 GLY CA C 45.601 0.300 1 499 46 46 GLY N N 114.858 0.300 1 500 47 47 LYS H H 9.121 0.020 1 501 47 47 LYS HA H 5.176 0.020 1 502 47 47 LYS HB2 H 1.315 0.020 2 503 47 47 LYS HB3 H 1.352 0.020 2 504 47 47 LYS HG2 H 1.023 0.020 2 505 47 47 LYS HG3 H 1.152 0.020 2 506 47 47 LYS HD2 H 1.346 0.020 2 507 47 47 LYS HD3 H 1.449 0.020 2 508 47 47 LYS HE2 H 2.635 0.020 2 509 47 47 LYS HE3 H 2.688 0.020 2 510 47 47 LYS C C 175.830 0.300 1 511 47 47 LYS CA C 53.937 0.300 1 512 47 47 LYS CB C 37.021 0.300 1 513 47 47 LYS CG C 25.028 0.300 1 514 47 47 LYS CD C 30.157 0.300 1 515 47 47 LYS CE C 41.979 0.300 1 516 47 47 LYS N N 123.469 0.300 1 517 48 48 LEU H H 8.016 0.020 1 518 48 48 LEU HA H 4.692 0.020 1 519 48 48 LEU HB2 H 1.993 0.020 2 520 48 48 LEU HB3 H 1.960 0.020 2 521 48 48 LEU HG H 1.993 0.020 1 522 48 48 LEU HD1 H 1.057 0.020 2 523 48 48 LEU HD2 H 1.909 0.020 2 524 48 48 LEU C C 178.031 0.300 1 525 48 48 LEU CA C 54.231 0.300 1 526 48 48 LEU CB C 41.678 0.300 1 527 48 48 LEU CG C 24.532 0.300 1 528 48 48 LEU CD1 C 26.197 0.300 1 529 48 48 LEU CD2 C 28.063 0.300 1 530 48 48 LEU N N 121.391 0.300 1 531 49 49 GLU H H 8.085 0.020 1 532 49 49 GLU HA H 3.835 0.020 1 533 49 49 GLU HB2 H 2.066 0.020 2 534 49 49 GLU HB3 H 1.724 0.020 2 535 49 49 GLU HG2 H 2.123 0.020 2 536 49 49 GLU HG3 H 2.168 0.020 2 537 49 49 GLU C C 178.118 0.300 1 538 49 49 GLU CA C 59.974 0.300 1 539 49 49 GLU CB C 30.322 0.300 1 540 49 49 GLU CG C 37.653 0.300 1 541 49 49 GLU N N 124.954 0.300 1 542 50 50 SER H H 9.220 0.020 1 543 50 50 SER HA H 4.154 0.020 1 544 50 50 SER HB2 H 3.953 0.020 2 545 50 50 SER HB3 H 4.024 0.020 2 546 50 50 SER C C 176.751 0.300 1 547 50 50 SER CA C 60.230 0.300 1 548 50 50 SER CB C 62.229 0.300 1 549 50 50 SER N N 112.186 0.300 1 550 51 51 THR H H 6.784 0.020 1 551 51 51 THR HA H 4.520 0.020 1 552 51 51 THR HB H 4.381 0.020 1 553 51 51 THR HG2 H 1.225 0.020 1 554 51 51 THR C C 176.342 0.300 1 555 51 51 THR CA C 60.760 0.300 1 556 51 51 THR CB C 71.046 0.300 1 557 51 51 THR CG2 C 21.707 0.300 1 558 51 51 THR N N 105.653 0.300 1 559 52 52 GLY H H 8.296 0.020 1 560 52 52 GLY HA2 H 3.680 0.020 2 561 52 52 GLY HA3 H 4.096 0.020 2 562 52 52 GLY C C 173.336 0.300 1 563 52 52 GLY CA C 45.711 0.300 1 564 52 52 GLY N N 112.483 0.300 1 565 53 53 LYS H H 7.479 0.020 1 566 53 53 LYS HA H 4.218 0.020 1 567 53 53 LYS HB2 H 1.681 0.020 2 568 53 53 LYS HB3 H 1.739 0.020 2 569 53 53 LYS HG2 H 1.365 0.020 2 570 53 53 LYS HG3 H 1.423 0.020 2 571 53 53 LYS HD2 H 1.681 0.020 1 572 53 53 LYS HD3 H 1.681 0.020 1 573 53 53 LYS HE2 H 3.005 0.020 2 574 53 53 LYS HE3 H 3.043 0.020 2 575 53 53 LYS C C 176.513 0.300 1 576 53 53 LYS CA C 56.217 0.300 1 577 53 53 LYS CB C 33.430 0.300 1 578 53 53 LYS CG C 24.806 0.300 1 579 53 53 LYS CD C 28.941 0.300 1 580 53 53 LYS CE C 42.297 0.300 1 581 53 53 LYS N N 119.609 0.300 1 582 54 54 VAL H H 8.511 0.020 1 583 54 54 VAL HA H 4.244 0.020 1 584 54 54 VAL HB H 1.924 0.020 1 585 54 54 VAL HG1 H 0.924 0.020 2 586 54 54 VAL HG2 H 0.838 0.020 2 587 54 54 VAL C C 176.879 0.300 1 588 54 54 VAL CA C 62.409 0.300 1 589 54 54 VAL CB C 32.697 0.300 1 590 54 54 VAL CG1 C 20.961 0.300 1 591 54 54 VAL CG2 C 22.151 0.300 1 592 54 54 VAL N N 126.109 0.300 1 593 55 55 PHE H H 8.325 0.020 1 594 55 55 PHE HA H 5.036 0.020 1 595 55 55 PHE HB2 H 2.713 0.020 2 596 55 55 PHE HB3 H 3.293 0.020 2 597 55 55 PHE HD1 H 7.028 0.020 1 598 55 55 PHE HD2 H 7.028 0.020 1 599 55 55 PHE HE1 H 7.234 0.020 1 600 55 55 PHE HE2 H 7.234 0.020 1 601 55 55 PHE HZ H 6.862 0.020 1 602 55 55 PHE C C 174.856 0.300 1 603 55 55 PHE CA C 55.758 0.300 1 604 55 55 PHE CB C 40.399 0.300 1 605 55 55 PHE N N 124.063 0.300 1 606 56 56 ASP H H 6.884 0.020 1 607 56 56 ASP HA H 4.801 0.020 1 608 56 56 ASP HB2 H 2.380 0.020 2 609 56 56 ASP HB3 H 3.394 0.020 2 610 56 56 ASP C C 173.688 0.300 1 611 56 56 ASP CA C 54.956 0.300 1 612 56 56 ASP CB C 43.616 0.300 1 613 56 56 ASP N N 120.500 0.300 1 614 57 57 SER H H 8.038 0.020 1 615 57 57 SER HA H 4.796 0.020 1 616 57 57 SER HB2 H 4.005 0.020 2 617 57 57 SER HB3 H 3.721 0.020 2 618 57 57 SER C C 174.997 0.300 1 619 57 57 SER CA C 55.792 0.300 1 620 57 57 SER CB C 64.961 0.300 1 621 57 57 SER N N 118.421 0.300 1 622 58 58 SER H H 8.429 0.020 1 623 58 58 SER HA H 4.080 0.020 1 624 58 58 SER HB2 H 3.558 0.020 1 625 58 58 SER HB3 H 3.558 0.020 1 626 58 58 SER C C 177.399 0.300 1 627 58 58 SER CA C 61.499 0.300 1 628 58 58 SER CB C 65.069 0.300 1 629 58 58 SER N N 123.766 0.300 1 630 59 59 PHE H H 7.276 0.020 1 631 59 59 PHE HA H 3.851 0.020 1 632 59 59 PHE HB2 H 2.514 0.020 2 633 59 59 PHE HB3 H 2.993 0.020 2 634 59 59 PHE HD1 H 6.841 0.020 1 635 59 59 PHE HD2 H 6.841 0.020 1 636 59 59 PHE HE1 H 7.058 0.020 1 637 59 59 PHE HE2 H 7.058 0.020 1 638 59 59 PHE HZ H 6.898 0.020 1 639 59 59 PHE C C 178.929 0.300 1 640 59 59 PHE CA C 61.010 0.300 1 641 59 59 PHE CB C 38.129 0.300 1 642 59 59 PHE N N 121.845 0.300 1 643 60 60 ASP H H 7.534 0.020 1 644 60 60 ASP HA H 4.343 0.020 1 645 60 60 ASP HB2 H 2.731 0.020 2 646 60 60 ASP HB3 H 2.702 0.020 2 647 60 60 ASP C C 177.295 0.300 1 648 60 60 ASP CA C 56.921 0.300 1 649 60 60 ASP CB C 40.298 0.300 1 650 60 60 ASP N N 119.015 0.300 1 651 61 61 ARG H H 7.224 0.020 1 652 61 61 ARG HA H 4.378 0.020 1 653 61 61 ARG HB2 H 1.962 0.020 2 654 61 61 ARG HB3 H 1.999 0.020 2 655 61 61 ARG HG2 H 1.719 0.020 2 656 61 61 ARG HG3 H 1.675 0.020 2 657 61 61 ARG HD2 H 3.218 0.020 2 658 61 61 ARG HD3 H 3.425 0.020 2 659 61 61 ARG C C 175.798 0.300 1 660 61 61 ARG CA C 55.209 0.300 1 661 61 61 ARG CB C 32.610 0.300 1 662 61 61 ARG CG C 28.799 0.300 1 663 61 61 ARG CD C 43.286 0.300 1 664 61 61 ARG N N 115.452 0.300 1 665 62 62 ASN H H 7.946 0.020 1 666 62 62 ASN HA H 4.392 0.020 1 667 62 62 ASN HB2 H 3.239 0.020 2 668 62 62 ASN HB3 H 2.273 0.020 2 669 62 62 ASN HD21 H 6.795 0.020 2 670 62 62 ASN HD22 H 7.541 0.020 2 671 62 62 ASN C C 173.776 0.300 1 672 62 62 ASN CA C 54.269 0.300 1 673 62 62 ASN CB C 38.597 0.300 1 674 62 62 ASN CG C 178.097 0.300 1 675 62 62 ASN N N 115.196 0.300 1 676 62 62 ASN ND2 N 111.707 0.300 1 677 63 63 VAL H H 7.278 0.020 1 678 63 63 VAL HA H 4.628 0.020 1 679 63 63 VAL HB H 2.082 0.020 1 680 63 63 VAL HG1 H 0.846 0.020 2 681 63 63 VAL HG2 H 0.791 0.020 2 682 63 63 VAL CA C 62.601 0.300 1 683 63 63 VAL CB C 35.186 0.300 1 684 63 63 VAL CG1 C 20.345 0.300 1 685 63 63 VAL CG2 C 21.608 0.300 1 686 63 63 VAL N N 115.155 0.300 1 687 64 64 PRO HA H 4.516 0.020 1 688 64 64 PRO HB2 H 2.345 0.020 2 689 64 64 PRO HB3 H 2.370 0.020 2 690 64 64 PRO HG2 H 1.874 0.020 2 691 64 64 PRO HG3 H 1.859 0.020 2 692 64 64 PRO HD2 H 3.481 0.020 2 693 64 64 PRO HD3 H 3.588 0.020 2 694 64 64 PRO C C 174.254 0.300 1 695 64 64 PRO CA C 62.601 0.300 1 696 64 64 PRO CB C 31.977 0.300 1 697 64 64 PRO CG C 26.203 0.300 1 698 64 64 PRO CD C 50.378 0.300 1 699 65 65 PHE H H 9.109 0.020 1 700 65 65 PHE HA H 4.821 0.020 1 701 65 65 PHE HB2 H 3.195 0.020 2 702 65 65 PHE HB3 H 3.514 0.020 2 703 65 65 PHE HD1 H 7.307 0.020 1 704 65 65 PHE HD2 H 7.307 0.020 1 705 65 65 PHE HE1 H 7.080 0.020 1 706 65 65 PHE HE2 H 7.080 0.020 1 707 65 65 PHE HZ H 6.474 0.020 1 708 65 65 PHE C C 173.320 0.300 1 709 65 65 PHE CA C 57.292 0.300 1 710 65 65 PHE CB C 42.894 0.300 1 711 65 65 PHE N N 123.469 0.300 1 712 66 66 LYS H H 7.474 0.020 1 713 66 66 LYS HA H 5.378 0.020 1 714 66 66 LYS HB2 H 1.242 0.020 2 715 66 66 LYS HB3 H 1.204 0.020 2 716 66 66 LYS HG2 H 1.108 0.020 2 717 66 66 LYS HG3 H 1.094 0.020 2 718 66 66 LYS HD2 H 1.410 0.020 2 719 66 66 LYS HD3 H 1.352 0.020 2 720 66 66 LYS HE2 H 2.823 0.020 2 721 66 66 LYS HE3 H 2.716 0.020 2 722 66 66 LYS C C 175.026 0.300 1 723 66 66 LYS CA C 53.876 0.300 1 724 66 66 LYS CB C 35.471 0.300 1 725 66 66 LYS CG C 24.844 0.300 1 726 66 66 LYS CD C 29.802 0.300 1 727 66 66 LYS CE C 42.125 0.300 1 728 66 66 LYS N N 125.548 0.300 1 729 67 67 PHE H H 8.114 0.020 1 730 67 67 PHE HA H 4.469 0.020 1 731 67 67 PHE HB2 H 2.940 0.020 2 732 67 67 PHE HB3 H 3.054 0.020 2 733 67 67 PHE HD1 H 6.995 0.020 1 734 67 67 PHE HD2 H 6.995 0.020 1 735 67 67 PHE HE1 H 7.303 0.020 1 736 67 67 PHE HE2 H 7.303 0.020 1 737 67 67 PHE HZ H 6.868 0.020 1 738 67 67 PHE C C 172.049 0.300 1 739 67 67 PHE CA C 55.662 0.300 1 740 67 67 PHE CB C 40.087 0.300 1 741 67 67 PHE N N 115.419 0.300 1 742 68 68 HIS H H 8.983 0.020 1 743 68 68 HIS HA H 5.482 0.020 1 744 68 68 HIS HB2 H 2.917 0.020 2 745 68 68 HIS HB3 H 2.613 0.020 2 746 68 68 HIS C C 174.742 0.300 1 747 68 68 HIS CA C 55.348 0.300 1 748 68 68 HIS CB C 28.470 0.300 1 749 68 68 HIS N N 118.421 0.300 1 750 69 69 LEU H H 8.317 0.020 1 751 69 69 LEU HA H 4.016 0.020 1 752 69 69 LEU HB2 H 1.804 0.020 2 753 69 69 LEU HB3 H 1.018 0.020 2 754 69 69 LEU HG H 1.433 0.020 1 755 69 69 LEU HD1 H 1.025 0.020 2 756 69 69 LEU HD2 H 0.467 0.020 2 757 69 69 LEU CA C 56.060 0.300 1 758 69 69 LEU CB C 42.903 0.300 1 759 69 69 LEU CG C 26.005 0.300 1 760 69 69 LEU CD1 C 23.716 0.300 1 761 69 69 LEU CD2 C 24.484 0.300 1 762 69 69 LEU N N 126.736 0.300 1 763 70 70 GLU H H 9.618 0.020 1 764 70 70 GLU HA H 3.847 0.020 1 765 70 70 GLU HB2 H 1.847 0.020 2 766 70 70 GLU HB3 H 2.447 0.020 2 767 70 70 GLU HG2 H 2.091 0.020 2 768 70 70 GLU HG3 H 2.149 0.020 2 769 70 70 GLU C C 174.818 0.300 1 770 70 70 GLU CA C 58.625 0.300 1 771 70 70 GLU CB C 27.456 0.300 1 772 70 70 GLU CG C 37.515 0.300 1 773 70 70 GLU N N 124.954 0.300 1 774 71 71 GLN H H 8.248 0.020 1 775 71 71 GLN HA H 4.678 0.020 1 776 71 71 GLN HB2 H 1.846 0.020 2 777 71 71 GLN HB3 H 1.921 0.020 2 778 71 71 GLN HG2 H 2.217 0.020 2 779 71 71 GLN HG3 H 2.266 0.020 2 780 71 71 GLN HE21 H 7.084 0.020 2 781 71 71 GLN HE22 H 6.814 0.020 2 782 71 71 GLN CA C 54.218 0.300 1 783 71 71 GLN CB C 30.422 0.300 1 784 71 71 GLN CG C 34.235 0.300 1 785 71 71 GLN CD C 180.130 0.300 1 786 71 71 GLN N N 114.858 0.300 1 787 71 71 GLN NE2 N 111.410 0.300 1 788 72 72 GLY H H 8.362 0.020 1 789 72 72 GLY HA2 H 4.145 0.020 2 790 72 72 GLY HA3 H 4.059 0.020 2 791 72 72 GLY C C 175.783 0.300 1 792 72 72 GLY CA C 46.838 0.300 1 793 72 72 GLY N N 110.404 0.300 1 794 73 73 GLU H H 9.085 0.020 1 795 73 73 GLU HA H 4.187 0.020 1 796 73 73 GLU HB2 H 2.130 0.020 2 797 73 73 GLU HB3 H 2.286 0.020 2 798 73 73 GLU HG2 H 2.357 0.020 2 799 73 73 GLU HG3 H 2.368 0.020 2 800 73 73 GLU C C 175.522 0.300 1 801 73 73 GLU CA C 57.443 0.300 1 802 73 73 GLU CB C 31.378 0.300 1 803 73 73 GLU CG C 36.894 0.300 1 804 73 73 GLU N N 118.421 0.300 1 805 74 74 VAL H H 6.862 0.020 1 806 74 74 VAL HA H 4.281 0.020 1 807 74 74 VAL HB H 1.140 0.020 1 808 74 74 VAL HG1 H 0.361 0.020 2 809 74 74 VAL HG2 H -0.040 0.020 2 810 74 74 VAL C C 175.773 0.300 1 811 74 74 VAL CA C 57.468 0.300 1 812 74 74 VAL CB C 36.344 0.300 1 813 74 74 VAL CG1 C 18.182 0.300 1 814 74 74 VAL CG2 C 21.648 0.300 1 815 74 74 VAL N N 108.919 0.300 1 816 75 75 ILE H H 7.462 0.020 1 817 75 75 ILE HA H 3.844 0.020 1 818 75 75 ILE HB H 1.982 0.020 1 819 75 75 ILE HG12 H 0.988 0.020 1 820 75 75 ILE HG13 H 0.988 0.020 1 821 75 75 ILE HG2 H -0.056 0.020 1 822 75 75 ILE HD1 H 0.568 0.020 1 823 75 75 ILE C C 177.618 0.300 1 824 75 75 ILE CA C 62.213 0.300 1 825 75 75 ILE CB C 37.337 0.300 1 826 75 75 ILE CG1 C 24.757 0.300 1 827 75 75 ILE CG2 C 17.288 0.300 1 828 75 75 ILE CD1 C 14.443 0.300 1 829 75 75 ILE N N 113.373 0.300 1 830 76 76 LYS H H 9.047 0.020 1 831 76 76 LYS HA H 4.282 0.020 1 832 76 76 LYS HB2 H 1.972 0.020 2 833 76 76 LYS HB3 H 1.928 0.020 2 834 76 76 LYS HG2 H 1.516 0.020 2 835 76 76 LYS HG3 H 1.689 0.020 2 836 76 76 LYS HD2 H 1.839 0.020 1 837 76 76 LYS HD3 H 1.839 0.020 1 838 76 76 LYS HE2 H 3.008 0.020 2 839 76 76 LYS HE3 H 2.997 0.020 2 840 76 76 LYS C C 180.009 0.300 1 841 76 76 LYS CA C 59.482 0.300 1 842 76 76 LYS CB C 32.740 0.300 1 843 76 76 LYS CG C 25.021 0.300 1 844 76 76 LYS CD C 29.163 0.300 1 845 76 76 LYS CE C 41.897 0.300 1 846 76 76 LYS N N 124.954 0.300 1 847 77 77 GLY H H 9.775 0.020 1 848 77 77 GLY HA2 H 3.786 0.020 2 849 77 77 GLY HA3 H 3.618 0.020 2 850 77 77 GLY C C 175.261 0.300 1 851 77 77 GLY CA C 47.402 0.300 1 852 77 77 GLY N N 101.199 0.300 1 853 78 78 TRP H H 7.817 0.020 1 854 78 78 TRP HA H 4.017 0.020 1 855 78 78 TRP HB2 H 2.692 0.020 2 856 78 78 TRP HB3 H 3.031 0.020 2 857 78 78 TRP HD1 H 6.528 0.020 1 858 78 78 TRP HE3 H 6.023 0.020 1 859 78 78 TRP HZ2 H 6.860 0.020 1 860 78 78 TRP HZ3 H 7.503 0.020 1 861 78 78 TRP HH2 H 7.722 0.020 1 862 78 78 TRP C C 177.610 0.300 1 863 78 78 TRP CA C 61.524 0.300 1 864 78 78 TRP CB C 28.655 0.300 1 865 78 78 TRP N N 120.203 0.300 1 866 79 79 ASP H H 6.967 0.020 1 867 79 79 ASP HA H 4.738 0.020 1 868 79 79 ASP HB2 H 2.739 0.020 2 869 79 79 ASP HB3 H 2.786 0.020 2 870 79 79 ASP C C 179.125 0.300 1 871 79 79 ASP CA C 58.492 0.300 1 872 79 79 ASP CB C 41.181 0.300 1 873 79 79 ASP N N 121.688 0.300 1 874 80 80 ILE H H 8.173 0.020 1 875 80 80 ILE HA H 3.617 0.020 1 876 80 80 ILE HB H 1.486 0.020 1 877 80 80 ILE HG12 H 1.055 0.020 2 878 80 80 ILE HG13 H 1.076 0.020 2 879 80 80 ILE HG2 H 0.692 0.020 1 880 80 80 ILE HD1 H 0.697 0.020 1 881 80 80 ILE C C 177.849 0.300 1 882 80 80 ILE CA C 64.758 0.300 1 883 80 80 ILE CB C 39.198 0.300 1 884 80 80 ILE CG1 C 28.771 0.300 1 885 80 80 ILE CG2 C 17.864 0.300 1 886 80 80 ILE CD1 C 15.000 0.300 1 887 80 80 ILE N N 118.125 0.300 1 888 81 81 CYS H H 7.961 0.020 1 889 81 81 CYS HA H 4.456 0.020 1 890 81 81 CYS HB2 H 2.791 0.020 2 891 81 81 CYS HB3 H 2.425 0.020 2 892 81 81 CYS C C 178.812 0.300 1 893 81 81 CYS CA C 63.059 0.300 1 894 81 81 CYS CB C 27.732 0.300 1 895 81 81 CYS N N 116.937 0.300 1 896 82 82 VAL H H 9.434 0.020 1 897 82 82 VAL HA H 3.476 0.020 1 898 82 82 VAL HB H 2.128 0.020 1 899 82 82 VAL HG1 H 0.961 0.020 2 900 82 82 VAL HG2 H 0.880 0.020 2 901 82 82 VAL C C 176.456 0.300 1 902 82 82 VAL CA C 66.977 0.300 1 903 82 82 VAL CB C 30.171 0.300 1 904 82 82 VAL CG1 C 22.594 0.300 1 905 82 82 VAL CG2 C 22.594 0.300 1 906 82 82 VAL N N 121.688 0.300 1 907 83 83 SER H H 7.541 0.020 1 908 83 83 SER HA H 3.964 0.020 1 909 83 83 SER HB2 H 3.779 0.020 2 910 83 83 SER HB3 H 3.941 0.020 2 911 83 83 SER C C 173.661 0.300 1 912 83 83 SER CA C 61.551 0.300 1 913 83 83 SER CB C 63.239 0.300 1 914 83 83 SER N N 111.889 0.300 1 915 84 84 SER H H 7.471 0.020 1 916 84 84 SER HA H 4.530 0.020 1 917 84 84 SER HB2 H 3.805 0.020 2 918 84 84 SER HB3 H 4.123 0.020 2 919 84 84 SER C C 174.314 0.300 1 920 84 84 SER CA C 58.440 0.300 1 921 84 84 SER CB C 65.929 0.300 1 922 84 84 SER N N 114.264 0.300 1 923 85 85 MET H H 7.441 0.020 1 924 85 85 MET HA H 4.262 0.020 1 925 85 85 MET HB2 H 1.938 0.020 2 926 85 85 MET HB3 H 1.952 0.020 2 927 85 85 MET HG2 H 2.258 0.020 2 928 85 85 MET HG3 H 2.268 0.020 2 929 85 85 MET C C 172.768 0.300 1 930 85 85 MET CA C 56.502 0.300 1 931 85 85 MET CB C 36.378 0.300 1 932 85 85 MET CG C 31.940 0.300 1 933 85 85 MET N N 124.657 0.300 1 934 86 86 ARG H H 7.045 0.020 1 935 86 86 ARG HA H 4.879 0.020 1 936 86 86 ARG HB2 H 1.402 0.020 2 937 86 86 ARG HB3 H 2.070 0.020 2 938 86 86 ARG HG2 H 1.576 0.020 2 939 86 86 ARG HG3 H 1.626 0.020 2 940 86 86 ARG HD2 H 3.021 0.020 2 941 86 86 ARG HD3 H 3.093 0.020 2 942 86 86 ARG C C 177.468 0.300 1 943 86 86 ARG CA C 53.395 0.300 1 944 86 86 ARG CB C 33.244 0.300 1 945 86 86 ARG CG C 28.500 0.300 1 946 86 86 ARG CD C 42.578 0.300 1 947 86 86 ARG N N 114.264 0.300 1 948 87 87 LYS H H 8.818 0.020 1 949 87 87 LYS HA H 3.554 0.020 1 950 87 87 LYS HB2 H 1.764 0.020 2 951 87 87 LYS HB3 H 1.825 0.020 2 952 87 87 LYS HG2 H 1.170 0.020 2 953 87 87 LYS HG3 H 1.400 0.020 2 954 87 87 LYS HD2 H 1.637 0.020 2 955 87 87 LYS HD3 H 1.667 0.020 2 956 87 87 LYS HE2 H 2.838 0.020 2 957 87 87 LYS HE3 H 3.007 0.020 2 958 87 87 LYS C C 175.382 0.300 1 959 87 87 LYS CA C 60.175 0.300 1 960 87 87 LYS CB C 33.195 0.300 1 961 87 87 LYS CG C 25.622 0.300 1 962 87 87 LYS CD C 29.668 0.300 1 963 87 87 LYS CE C 41.445 0.300 1 964 87 87 LYS N N 121.391 0.300 1 965 88 88 ASN H H 8.943 0.020 1 966 88 88 ASN HA H 4.291 0.020 1 967 88 88 ASN HB2 H 3.484 0.020 2 968 88 88 ASN HB3 H 2.918 0.020 2 969 88 88 ASN HD21 H 8.153 0.020 2 970 88 88 ASN HD22 H 6.838 0.020 2 971 88 88 ASN C C 174.124 0.300 1 972 88 88 ASN CA C 56.703 0.300 1 973 88 88 ASN CB C 36.677 0.300 1 974 88 88 ASN N N 116.640 0.300 1 975 88 88 ASN ND2 N 116.051 0.300 1 976 89 89 GLU H H 8.677 0.020 1 977 89 89 GLU HA H 4.358 0.020 1 978 89 89 GLU HB2 H 2.240 0.020 2 979 89 89 GLU HB3 H 2.143 0.020 2 980 89 89 GLU HG2 H 2.641 0.020 1 981 89 89 GLU HG3 H 2.641 0.020 1 982 89 89 GLU C C 174.903 0.300 1 983 89 89 GLU CA C 56.190 0.300 1 984 89 89 GLU CB C 33.096 0.300 1 985 89 89 GLU CG C 37.674 0.300 1 986 89 89 GLU N N 122.876 0.300 1 987 90 90 LYS H H 8.580 0.020 1 988 90 90 LYS HA H 5.542 0.020 1 989 90 90 LYS HB2 H 1.588 0.020 2 990 90 90 LYS HB3 H 1.649 0.020 2 991 90 90 LYS HG2 H 1.400 0.020 2 992 90 90 LYS HG3 H 1.734 0.020 2 993 90 90 LYS HD2 H 1.734 0.020 2 994 90 90 LYS HD3 H 1.609 0.020 2 995 90 90 LYS HE2 H 2.807 0.020 2 996 90 90 LYS HE3 H 2.741 0.020 2 997 90 90 LYS C C 175.593 0.300 1 998 90 90 LYS CA C 54.210 0.300 1 999 90 90 LYS CB C 36.189 0.300 1 1000 90 90 LYS CG C 26.226 0.300 1 1001 90 90 LYS CD C 29.747 0.300 1 1002 90 90 LYS CE C 42.004 0.300 1 1003 90 90 LYS N N 123.469 0.300 1 1004 91 91 CYS H H 9.673 0.020 1 1005 91 91 CYS HA H 5.524 0.020 1 1006 91 91 CYS HB2 H 2.853 0.020 2 1007 91 91 CYS HB3 H 2.862 0.020 2 1008 91 91 CYS C C 170.527 0.300 1 1009 91 91 CYS CA C 54.690 0.300 1 1010 91 91 CYS CB C 32.542 0.300 1 1011 91 91 CYS N N 122.579 0.300 1 1012 92 92 LEU H H 8.984 0.020 1 1013 92 92 LEU HA H 5.458 0.020 1 1014 92 92 LEU HB2 H 1.730 0.020 2 1015 92 92 LEU HB3 H 1.446 0.020 2 1016 92 92 LEU HG H 1.473 0.020 1 1017 92 92 LEU HD1 H 1.062 0.020 2 1018 92 92 LEU HD2 H 0.901 0.020 2 1019 92 92 LEU C C 175.596 0.300 1 1020 92 92 LEU CA C 53.413 0.300 1 1021 92 92 LEU CB C 44.972 0.300 1 1022 92 92 LEU CG C 27.790 0.300 1 1023 92 92 LEU CD1 C 24.578 0.300 1 1024 92 92 LEU CD2 C 23.946 0.300 1 1025 92 92 LEU N N 122.282 0.300 1 1026 93 93 VAL H H 10.107 0.020 1 1027 93 93 VAL HA H 5.506 0.020 1 1028 93 93 VAL HB H 2.088 0.020 1 1029 93 93 VAL HG1 H 0.739 0.020 2 1030 93 93 VAL HG2 H 1.092 0.020 2 1031 93 93 VAL C C 171.051 0.300 1 1032 93 93 VAL CA C 58.200 0.300 1 1033 93 93 VAL CB C 35.276 0.300 1 1034 93 93 VAL CG1 C 22.829 0.300 1 1035 93 93 VAL CG2 C 20.343 0.300 1 1036 93 93 VAL N N 126.224 0.300 1 1037 94 94 ARG H H 8.949 0.020 1 1038 94 94 ARG HA H 5.133 0.020 1 1039 94 94 ARG HB2 H 1.771 0.020 2 1040 94 94 ARG HB3 H 1.471 0.020 2 1041 94 94 ARG HG2 H 1.179 0.020 2 1042 94 94 ARG HG3 H 1.197 0.020 2 1043 94 94 ARG HD2 H 3.057 0.020 2 1044 94 94 ARG HD3 H 2.967 0.020 2 1045 94 94 ARG C C 175.823 0.300 1 1046 94 94 ARG CA C 56.219 0.300 1 1047 94 94 ARG CB C 32.039 0.300 1 1048 94 94 ARG CG C 28.711 0.300 1 1049 94 94 ARG CD C 42.872 0.300 1 1050 94 94 ARG N N 130.596 0.300 1 1051 95 95 ILE H H 9.655 0.020 1 1052 95 95 ILE HA H 4.899 0.020 1 1053 95 95 ILE HB H 1.917 0.020 1 1054 95 95 ILE HG12 H 1.103 0.020 2 1055 95 95 ILE HG13 H 0.916 0.020 2 1056 95 95 ILE HG2 H 1.022 0.020 1 1057 95 95 ILE HD1 H 0.980 0.020 1 1058 95 95 ILE C C 175.215 0.300 1 1059 95 95 ILE CA C 60.582 0.300 1 1060 95 95 ILE CB C 37.359 0.300 1 1061 95 95 ILE CG1 C 29.236 0.300 1 1062 95 95 ILE CG2 C 18.795 0.300 1 1063 95 95 ILE CD1 C 14.509 0.300 1 1064 95 95 ILE N N 129.905 0.300 1 1065 96 96 GLU H H 9.213 0.020 1 1066 96 96 GLU HA H 4.320 0.020 1 1067 96 96 GLU HB2 H 2.457 0.020 2 1068 96 96 GLU HB3 H 2.074 0.020 2 1069 96 96 GLU HG2 H 2.791 0.020 2 1070 96 96 GLU HG3 H 2.785 0.020 2 1071 96 96 GLU C C 177.897 0.300 1 1072 96 96 GLU CA C 57.568 0.300 1 1073 96 96 GLU CB C 29.676 0.300 1 1074 96 96 GLU CG C 37.489 0.300 1 1075 96 96 GLU N N 126.439 0.300 1 1076 97 97 SER H H 8.693 0.020 1 1077 97 97 SER HA H 4.370 0.020 1 1078 97 97 SER HB2 H 3.702 0.020 2 1079 97 97 SER HB3 H 3.797 0.020 2 1080 97 97 SER C C 178.668 0.300 1 1081 97 97 SER CA C 62.800 0.300 1 1082 97 97 SER CB C 64.591 0.300 1 1083 97 97 SER N N 115.749 0.300 1 1084 98 98 MET H H 8.937 0.020 1 1085 98 98 MET HA H 4.170 0.020 1 1086 98 98 MET HB2 H 1.971 0.020 2 1087 98 98 MET HB3 H 1.916 0.020 2 1088 98 98 MET HG2 H 2.291 0.020 2 1089 98 98 MET HG3 H 2.250 0.020 2 1090 98 98 MET C C 179.250 0.300 1 1091 98 98 MET CA C 58.702 0.300 1 1092 98 98 MET CB C 31.047 0.300 1 1093 98 98 MET CG C 36.743 0.300 1 1094 98 98 MET N N 121.985 0.300 1 1095 99 99 TYR H H 7.927 0.020 1 1096 99 99 TYR HA H 4.435 0.020 1 1097 99 99 TYR HB2 H 2.846 0.020 2 1098 99 99 TYR HB3 H 2.557 0.020 2 1099 99 99 TYR HD1 H 6.626 0.020 1 1100 99 99 TYR HD2 H 6.626 0.020 1 1101 99 99 TYR HE1 H 6.934 0.020 1 1102 99 99 TYR HE2 H 6.934 0.020 1 1103 99 99 TYR C C 173.125 0.300 1 1104 99 99 TYR CA C 58.064 0.300 1 1105 99 99 TYR CB C 39.570 0.300 1 1106 99 99 TYR N N 116.640 0.300 1 1107 100 100 GLY H H 7.802 0.020 1 1108 100 100 GLY HA2 H 3.223 0.020 2 1109 100 100 GLY HA3 H 4.309 0.020 2 1110 100 100 GLY C C 173.213 0.300 1 1111 100 100 GLY CA C 45.062 0.300 1 1112 100 100 GLY N N 110.998 0.300 1 1113 101 101 TYR H H 9.407 0.020 1 1114 101 101 TYR HA H 4.443 0.020 1 1115 101 101 TYR HB2 H 2.372 0.020 2 1116 101 101 TYR HB3 H 3.148 0.020 2 1117 101 101 TYR HD1 H 6.974 0.020 1 1118 101 101 TYR HD2 H 6.974 0.020 1 1119 101 101 TYR HE1 H 6.517 0.020 1 1120 101 101 TYR HE2 H 6.517 0.020 1 1121 101 101 TYR C C 176.014 0.300 1 1122 101 101 TYR CA C 58.944 0.300 1 1123 101 101 TYR CB C 37.732 0.300 1 1124 101 101 TYR N N 126.439 0.300 1 1125 102 102 GLY H H 8.231 0.020 1 1126 102 102 GLY HA2 H 4.001 0.020 2 1127 102 102 GLY HA3 H 3.715 0.020 2 1128 102 102 GLY C C 175.685 0.300 1 1129 102 102 GLY CA C 46.447 0.300 1 1130 102 102 GLY N N 107.138 0.300 1 1131 103 103 ASP H H 8.983 0.020 1 1132 103 103 ASP HA H 4.277 0.020 1 1133 103 103 ASP HB2 H 2.647 0.020 2 1134 103 103 ASP HB3 H 2.614 0.020 2 1135 103 103 ASP C C 176.677 0.300 1 1136 103 103 ASP CA C 56.352 0.300 1 1137 103 103 ASP CB C 40.640 0.300 1 1138 103 103 ASP N N 124.954 0.300 1 1139 104 104 GLU H H 8.552 0.020 1 1140 104 104 GLU HA H 4.139 0.020 1 1141 104 104 GLU HB2 H 2.069 0.020 2 1142 104 104 GLU HB3 H 2.106 0.020 2 1143 104 104 GLU HG2 H 2.346 0.020 2 1144 104 104 GLU HG3 H 2.318 0.020 2 1145 104 104 GLU C C 179.142 0.300 1 1146 104 104 GLU CA C 58.100 0.300 1 1147 104 104 GLU CB C 30.076 0.300 1 1148 104 104 GLU CG C 36.582 0.300 1 1149 104 104 GLU N N 117.531 0.300 1 1150 105 105 GLY H H 7.188 0.020 1 1151 105 105 GLY HA2 H 3.137 0.020 2 1152 105 105 GLY HA3 H 4.012 0.020 2 1153 105 105 GLY C C 171.730 0.300 1 1154 105 105 GLY CA C 44.214 0.300 1 1155 105 105 GLY N N 104.168 0.300 1 1156 106 106 CYS H H 9.026 0.020 1 1157 106 106 CYS HA H 4.253 0.020 1 1158 106 106 CYS HB2 H 1.876 0.020 2 1159 106 106 CYS HB3 H 1.372 0.020 2 1160 106 106 CYS C C 173.438 0.300 1 1161 106 106 CYS CA C 57.814 0.300 1 1162 106 106 CYS CB C 26.162 0.300 1 1163 106 106 CYS N N 121.949 0.300 1 1164 107 107 GLY H H 8.584 0.020 1 1165 107 107 GLY HA2 H 3.706 0.020 2 1166 107 107 GLY HA3 H 3.954 0.020 2 1167 107 107 GLY C C 173.461 0.300 1 1168 107 107 GLY CA C 45.258 0.300 1 1169 107 107 GLY N N 114.561 0.300 1 1170 108 108 GLU H H 8.503 0.020 1 1171 108 108 GLU HA H 4.051 0.020 1 1172 108 108 GLU HB2 H 2.014 0.020 2 1173 108 108 GLU HB3 H 1.905 0.020 2 1174 108 108 GLU HG2 H 2.238 0.020 2 1175 108 108 GLU HG3 H 2.209 0.020 2 1176 108 108 GLU C C 178.118 0.300 1 1177 108 108 GLU CA C 57.478 0.300 1 1178 108 108 GLU CB C 29.835 0.300 1 1179 108 108 GLU CG C 36.383 0.300 1 1180 108 108 GLU N N 119.609 0.300 1 1181 109 109 SER H H 8.082 0.020 1 1182 109 109 SER HA H 4.127 0.020 1 1183 109 109 SER HB2 H 3.797 0.020 2 1184 109 109 SER HB3 H 3.869 0.020 2 1185 109 109 SER C C 173.569 0.300 1 1186 109 109 SER CA C 60.141 0.300 1 1187 109 109 SER CB C 63.935 0.300 1 1188 109 109 SER N N 112.186 0.300 1 1189 110 110 ILE H H 6.570 0.020 1 1190 110 110 ILE HA H 4.235 0.020 1 1191 110 110 ILE HB H 1.247 0.020 1 1192 110 110 ILE HG12 H 0.845 0.020 2 1193 110 110 ILE HG13 H 0.854 0.020 2 1194 110 110 ILE HG2 H 0.521 0.020 1 1195 110 110 ILE HD1 H -0.093 0.020 1 1196 110 110 ILE CA C 58.031 0.300 1 1197 110 110 ILE CB C 39.086 0.300 1 1198 110 110 ILE CG1 C 25.977 0.300 1 1199 110 110 ILE CG2 C 17.441 0.300 1 1200 110 110 ILE CD1 C 13.478 0.300 1 1201 110 110 ILE N N 116.937 0.300 1 1202 111 111 PRO HA H 4.510 0.020 1 1203 111 111 PRO HB2 H 2.321 0.020 2 1204 111 111 PRO HB3 H 1.732 0.020 2 1205 111 111 PRO HG2 H 1.855 0.020 2 1206 111 111 PRO HG3 H 1.873 0.020 2 1207 111 111 PRO HD2 H 3.590 0.020 2 1208 111 111 PRO HD3 H 3.480 0.020 2 1209 111 111 PRO C C 179.076 0.300 1 1210 111 111 PRO CA C 61.703 0.300 1 1211 111 111 PRO CB C 32.729 0.300 1 1212 111 111 PRO CG C 27.003 0.300 1 1213 111 111 PRO CD C 51.011 0.300 1 1214 112 112 GLY H H 9.018 0.020 1 1215 112 112 GLY HA2 H 3.461 0.020 2 1216 112 112 GLY HA3 H 3.714 0.020 2 1217 112 112 GLY C C 172.723 0.300 1 1218 112 112 GLY CA C 46.262 0.300 1 1219 112 112 GLY N N 111.592 0.300 1 1220 113 113 ASN H H 8.381 0.020 1 1221 113 113 ASN HA H 4.278 0.020 1 1222 113 113 ASN HB2 H 3.067 0.020 2 1223 113 113 ASN HB3 H 2.682 0.020 2 1224 113 113 ASN HD21 H 6.903 0.020 2 1225 113 113 ASN HD22 H 7.468 0.020 2 1226 113 113 ASN C C 174.643 0.300 1 1227 113 113 ASN CA C 54.388 0.300 1 1228 113 113 ASN CB C 37.204 0.300 1 1229 113 113 ASN N N 116.937 0.300 1 1230 113 113 ASN ND2 N 111.856 0.300 1 1231 114 114 SER H H 7.617 0.020 1 1232 114 114 SER HA H 4.517 0.020 1 1233 114 114 SER HB2 H 3.590 0.020 2 1234 114 114 SER HB3 H 3.514 0.020 2 1235 114 114 SER C C 172.904 0.300 1 1236 114 114 SER CA C 59.864 0.300 1 1237 114 114 SER CB C 64.678 0.300 1 1238 114 114 SER N N 113.077 0.300 1 1239 115 115 VAL H H 8.500 0.020 1 1240 115 115 VAL HA H 4.341 0.020 1 1241 115 115 VAL HB H 1.931 0.020 1 1242 115 115 VAL HG1 H 0.694 0.020 2 1243 115 115 VAL HG2 H 1.086 0.020 2 1244 115 115 VAL C C 176.075 0.300 1 1245 115 115 VAL CA C 62.705 0.300 1 1246 115 115 VAL CB C 31.546 0.300 1 1247 115 115 VAL CG1 C 22.293 0.300 1 1248 115 115 VAL CG2 C 21.743 0.300 1 1249 115 115 VAL N N 124.360 0.300 1 1250 116 116 LEU H H 9.104 0.020 1 1251 116 116 LEU HA H 5.002 0.020 1 1252 116 116 LEU HB2 H 2.012 0.020 2 1253 116 116 LEU HB3 H 1.977 0.020 2 1254 116 116 LEU HG H 1.221 0.020 1 1255 116 116 LEU HD1 H 1.221 0.020 2 1256 116 116 LEU HD2 H 0.783 0.020 2 1257 116 116 LEU C C 174.923 0.300 1 1258 116 116 LEU CA C 53.123 0.300 1 1259 116 116 LEU CB C 45.379 0.300 1 1260 116 116 LEU CG C 26.714 0.300 1 1261 116 116 LEU CD1 C 26.642 0.300 1 1262 116 116 LEU CD2 C 22.762 0.300 1 1263 116 116 LEU N N 128.814 0.300 1 1264 117 117 LEU H H 9.009 0.020 1 1265 117 117 LEU HA H 5.601 0.020 1 1266 117 117 LEU HB2 H 1.616 0.020 2 1267 117 117 LEU HB3 H 1.284 0.020 2 1268 117 117 LEU HG H 1.467 0.020 1 1269 117 117 LEU HD1 H 0.970 0.020 2 1270 117 117 LEU HD2 H 0.897 0.020 2 1271 117 117 LEU C C 176.574 0.300 1 1272 117 117 LEU CA C 52.750 0.300 1 1273 117 117 LEU CB C 44.693 0.300 1 1274 117 117 LEU CG C 26.123 0.300 1 1275 117 117 LEU CD1 C 23.132 0.300 1 1276 117 117 LEU CD2 C 22.610 0.300 1 1277 117 117 LEU N N 121.391 0.300 1 1278 118 118 PHE H H 9.375 0.020 1 1279 118 118 PHE HA H 6.155 0.020 1 1280 118 118 PHE HB2 H 2.911 0.020 2 1281 118 118 PHE HB3 H 2.868 0.020 2 1282 118 118 PHE HD1 H 7.329 0.020 1 1283 118 118 PHE HD2 H 7.329 0.020 1 1284 118 118 PHE HE1 H 7.508 0.020 1 1285 118 118 PHE HE2 H 7.508 0.020 1 1286 118 118 PHE HZ H 7.704 0.020 1 1287 118 118 PHE C C 176.518 0.300 1 1288 118 118 PHE CA C 55.411 0.300 1 1289 118 118 PHE CB C 42.385 0.300 1 1290 118 118 PHE N N 117.531 0.300 1 1291 119 119 GLU H H 8.905 0.020 1 1292 119 119 GLU HA H 5.604 0.020 1 1293 119 119 GLU HB2 H 1.973 0.020 2 1294 119 119 GLU HB3 H 1.996 0.020 2 1295 119 119 GLU HG2 H 2.249 0.020 2 1296 119 119 GLU HG3 H 2.285 0.020 2 1297 119 119 GLU C C 175.947 0.300 1 1298 119 119 GLU CA C 60.489 0.300 1 1299 119 119 GLU CB C 31.189 0.300 1 1300 119 119 GLU CG C 36.767 0.300 1 1301 119 119 GLU N N 122.876 0.300 1 1302 120 120 ILE H H 8.912 0.020 1 1303 120 120 ILE HA H 4.965 0.020 1 1304 120 120 ILE HB H 1.363 0.020 1 1305 120 120 ILE HG12 H 1.368 0.020 2 1306 120 120 ILE HG13 H 1.390 0.020 2 1307 120 120 ILE HG2 H 0.434 0.020 1 1308 120 120 ILE HD1 H -0.386 0.020 1 1309 120 120 ILE C C 173.341 0.300 1 1310 120 120 ILE CA C 60.568 0.300 1 1311 120 120 ILE CB C 41.927 0.300 1 1312 120 120 ILE CG1 C 27.953 0.300 1 1313 120 120 ILE CG2 C 16.638 0.300 1 1314 120 120 ILE CD1 C 11.638 0.300 1 1315 120 120 ILE N N 123.000 0.300 1 1316 121 121 GLU H H 9.074 0.020 1 1317 121 121 GLU HA H 5.445 0.020 1 1318 121 121 GLU HB2 H 1.832 0.020 2 1319 121 121 GLU HB3 H 2.073 0.020 2 1320 121 121 GLU HG2 H 1.833 0.020 2 1321 121 121 GLU HG3 H 2.005 0.020 2 1322 121 121 GLU C C 175.254 0.300 1 1323 121 121 GLU CA C 53.941 0.300 1 1324 121 121 GLU CB C 33.897 0.300 1 1325 121 121 GLU CG C 36.113 0.300 1 1326 121 121 GLU N N 128.221 0.300 1 1327 122 122 LEU H H 8.112 0.020 1 1328 122 122 LEU HA H 4.680 0.020 1 1329 122 122 LEU HB2 H 2.314 0.020 2 1330 122 122 LEU HB3 H 1.194 0.020 2 1331 122 122 LEU HG H 1.401 0.020 1 1332 122 122 LEU HD1 H 0.696 0.020 2 1333 122 122 LEU HD2 H 0.906 0.020 2 1334 122 122 LEU C C 174.472 0.300 1 1335 122 122 LEU CA C 54.403 0.300 1 1336 122 122 LEU CB C 40.796 0.300 1 1337 122 122 LEU CG C 29.000 0.300 1 1338 122 122 LEU CD1 C 26.159 0.300 1 1339 122 122 LEU CD2 C 24.971 0.300 1 1340 122 122 LEU N N 127.033 0.300 1 1341 123 123 LEU H H 8.704 0.020 1 1342 123 123 LEU HA H 4.385 0.020 1 1343 123 123 LEU HB2 H 1.432 0.020 2 1344 123 123 LEU HB3 H 1.455 0.020 2 1345 123 123 LEU HG H 1.691 0.020 1 1346 123 123 LEU HD1 H 0.774 0.020 2 1347 123 123 LEU HD2 H 0.706 0.020 2 1348 123 123 LEU C C 177.614 0.300 1 1349 123 123 LEU CA C 57.095 0.300 1 1350 123 123 LEU CB C 42.226 0.300 1 1351 123 123 LEU CG C 27.502 0.300 1 1352 123 123 LEU CD1 C 25.824 0.300 1 1353 123 123 LEU CD2 C 22.898 0.300 1 1354 123 123 LEU N N 128.814 0.300 1 1355 124 124 SER H H 7.602 0.020 1 1356 124 124 SER HA H 4.161 0.020 1 1357 124 124 SER HB2 H 3.790 0.020 2 1358 124 124 SER HB3 H 3.748 0.020 2 1359 124 124 SER C C 171.375 0.300 1 1360 124 124 SER CA C 57.545 0.300 1 1361 124 124 SER CB C 63.359 0.300 1 1362 124 124 SER N N 105.653 0.300 1 1363 125 125 PHE H H 7.818 0.020 1 1364 125 125 PHE HA H 5.451 0.020 1 1365 125 125 PHE HB2 H 3.166 0.020 2 1366 125 125 PHE HB3 H 2.997 0.020 2 1367 125 125 PHE HD1 H 6.707 0.020 1 1368 125 125 PHE HD2 H 6.707 0.020 1 1369 125 125 PHE HE1 H 7.111 0.020 1 1370 125 125 PHE HE2 H 7.111 0.020 1 1371 125 125 PHE HZ H 7.261 0.020 1 1372 125 125 PHE C C 173.154 0.300 1 1373 125 125 PHE CA C 56.463 0.300 1 1374 125 125 PHE CB C 42.301 0.300 1 1375 125 125 PHE N N 113.373 0.300 1 1376 126 126 ARG H H 8.934 0.020 1 1377 126 126 ARG HA H 4.693 0.020 1 1378 126 126 ARG HB2 H 1.648 0.020 2 1379 126 126 ARG HB3 H 1.756 0.020 2 1380 126 126 ARG HG2 H 1.200 0.020 2 1381 126 126 ARG HG3 H 1.273 0.020 2 1382 126 126 ARG HD2 H 2.993 0.020 2 1383 126 126 ARG HD3 H 2.966 0.020 2 1384 126 126 ARG C C 174.013 0.300 1 1385 126 126 ARG CA C 54.654 0.300 1 1386 126 126 ARG CB C 33.064 0.300 1 1387 126 126 ARG CG C 26.664 0.300 1 1388 126 126 ARG CD C 43.326 0.300 1 1389 126 126 ARG N N 116.046 0.300 1 1390 127 127 GLU H H 8.665 0.020 1 1391 127 127 GLU HA H 4.436 0.020 1 1392 127 127 GLU HB2 H 1.916 0.020 2 1393 127 127 GLU HB3 H 1.952 0.020 2 1394 127 127 GLU HG2 H 2.226 0.020 2 1395 127 127 GLU HG3 H 2.231 0.020 2 1396 127 127 GLU C C 176.050 0.300 1 1397 127 127 GLU CA C 55.552 0.300 1 1398 127 127 GLU CB C 30.600 0.300 1 1399 127 127 GLU CG C 36.271 0.300 1 1400 127 127 GLU N N 123.173 0.300 1 stop_ save_