data_18278 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of FKBP12 from Aedes aegypti ; _BMRB_accession_number 18278 _BMRB_flat_file_name bmr18278.str _Entry_type original _Submission_date 2012-02-20 _Accession_date 2012-02-20 _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 Chakraborty Goutam . . 2 Shin Joon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 585 "13C chemical shifts" 423 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-05 original author . stop_ _Original_release_date 2013-02-05 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of FK506-binding protein 12 from Aedes aegypti' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22806993 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chakraborty Goutam . . 2 Shin Joon . . 3 Nguyen Q. T. . 4 Harikishore A. . . 5 Baek K. . . 6 Yoon H. S. . stop_ _Journal_abbreviation Proteins _Journal_volume 80 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2476 _Page_last 2481 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FKBP12 from Aedes aegypti' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FKBP12 from Aedes aegypti' $FKBP12 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_FKBP12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FKBP12 _Molecular_mass 11553.165 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MGVQVVTLAAGDEATYPKAG QVAVVHYTGTLADGKVFDSS RTRGKPFRFTVGRGEVIRGW DEGVAQMSVGQRAKLVCSPD YAYGSRGHPGVIPPNATLTF DVELLRVE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 VAL 4 GLN 5 VAL 6 VAL 7 THR 8 LEU 9 ALA 10 ALA 11 GLY 12 ASP 13 GLU 14 ALA 15 THR 16 TYR 17 PRO 18 LYS 19 ALA 20 GLY 21 GLN 22 VAL 23 ALA 24 VAL 25 VAL 26 HIS 27 TYR 28 THR 29 GLY 30 THR 31 LEU 32 ALA 33 ASP 34 GLY 35 LYS 36 VAL 37 PHE 38 ASP 39 SER 40 SER 41 ARG 42 THR 43 ARG 44 GLY 45 LYS 46 PRO 47 PHE 48 ARG 49 PHE 50 THR 51 VAL 52 GLY 53 ARG 54 GLY 55 GLU 56 VAL 57 ILE 58 ARG 59 GLY 60 TRP 61 ASP 62 GLU 63 GLY 64 VAL 65 ALA 66 GLN 67 MET 68 SER 69 VAL 70 GLY 71 GLN 72 ARG 73 ALA 74 LYS 75 LEU 76 VAL 77 CYS 78 SER 79 PRO 80 ASP 81 TYR 82 ALA 83 TYR 84 GLY 85 SER 86 ARG 87 GLY 88 HIS 89 PRO 90 GLY 91 VAL 92 ILE 93 PRO 94 PRO 95 ASN 96 ALA 97 THR 98 LEU 99 THR 100 PHE 101 ASP 102 VAL 103 GLU 104 LEU 105 LEU 106 ARG 107 VAL 108 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 2LPV "Solution Structure Of Fkbp12 From Aedes Aegypti" 100.00 108 100.00 100.00 1.70e-71 PDB 3UQI "Crystallographic Structure Of Fkbp12 From Aedes Aegypti" 100.00 108 100.00 100.00 1.70e-71 GB ABF18244 "FKBP-type peptidyl-prolyl cis-trans isomerase [Aedes aegypti]" 100.00 108 100.00 100.00 1.70e-71 GB EAT40395 "AAEL007883-PA [Aedes aegypti]" 100.00 108 100.00 100.00 1.70e-71 GB EJY57709 "AAEL007883-PB [Aedes aegypti]" 100.00 108 100.00 100.00 1.70e-71 GB EJY57710 "AAEL007883-PC [Aedes aegypti]" 100.00 108 100.00 100.00 1.70e-71 REF XP_001652969 "AAEL007883-PA [Aedes aegypti]" 100.00 108 100.00 100.00 1.70e-71 REF XP_011493401 "AAEL007883-PB [Aedes aegypti]" 100.00 108 100.00 100.00 1.70e-71 REF XP_011493402 "AAEL007883-PC [Aedes aegypti]" 100.00 108 100.00 100.00 1.70e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FKBP12 flies 7159 Eukaryota Metazoa Aedes aegypti 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 $FKBP12 'recombinant technology' . Escherichia coli . pET-SUMO 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 $FKBP12 0.5 mM [U-15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FKBP12 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FKBP12 0.5 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'Structure Visualization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 298 . 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 HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D C(CO)NH' '3D H(CCO)NH' '3D HNHA' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FKBP12 from Aedes aegypti' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.698 0.020 1 2 2 2 GLY HA2 H 3.064 0.020 2 3 2 2 GLY HA3 H 3.004 0.020 2 4 2 2 GLY C C 172.529 0.400 1 5 2 2 GLY CA C 45.354 0.400 1 6 3 3 VAL H H 7.648 0.020 1 7 3 3 VAL HA H 4.960 0.020 1 8 3 3 VAL HB H 1.824 0.020 1 9 3 3 VAL HG1 H 0.803 0.020 2 10 3 3 VAL HG2 H 0.814 0.020 2 11 3 3 VAL C C 173.461 0.400 1 12 3 3 VAL CA C 59.148 0.400 1 13 3 3 VAL CB C 34.592 0.400 1 14 3 3 VAL CG1 C 22.508 0.400 2 15 3 3 VAL CG2 C 19.338 0.400 2 16 3 3 VAL N N 118.483 0.400 1 17 4 4 GLN H H 8.249 0.020 1 18 4 4 GLN HA H 4.581 0.020 1 19 4 4 GLN HB2 H 1.999 0.020 2 20 4 4 GLN HB3 H 1.816 0.020 2 21 4 4 GLN HG2 H 2.283 0.020 2 22 4 4 GLN HG3 H 2.119 0.020 2 23 4 4 GLN HE21 H 6.695 0.020 2 24 4 4 GLN HE22 H 7.363 0.020 2 25 4 4 GLN C C 174.306 0.400 1 26 4 4 GLN CA C 54.225 0.400 1 27 4 4 GLN CB C 31.167 0.400 1 28 4 4 GLN CG C 33.818 0.400 1 29 4 4 GLN N N 127.234 0.400 1 30 4 4 GLN NE2 N 111.325 0.400 1 31 5 5 VAL H H 8.686 0.020 1 32 5 5 VAL HA H 4.567 0.020 1 33 5 5 VAL HB H 1.969 0.020 1 34 5 5 VAL HG1 H 0.620 0.020 2 35 5 5 VAL HG2 H 0.751 0.020 2 36 5 5 VAL C C 175.967 0.400 1 37 5 5 VAL CA C 61.836 0.400 1 38 5 5 VAL CB C 32.677 0.400 1 39 5 5 VAL CG1 C 20.944 0.400 2 40 5 5 VAL CG2 C 21.029 0.400 2 41 5 5 VAL N N 125.759 0.400 1 42 6 6 VAL H H 9.349 0.020 1 43 6 6 VAL HA H 4.273 0.020 1 44 6 6 VAL HB H 2.054 0.020 1 45 6 6 VAL HG1 H 0.840 0.020 2 46 6 6 VAL HG2 H 0.841 0.020 2 47 6 6 VAL C C 176.002 0.400 1 48 6 6 VAL CA C 61.318 0.400 1 49 6 6 VAL CB C 33.570 0.400 1 50 6 6 VAL CG1 C 20.321 0.400 2 51 6 6 VAL CG2 C 19.867 0.400 2 52 6 6 VAL N N 130.778 0.400 1 53 7 7 THR H H 8.977 0.020 1 54 7 7 THR HA H 3.890 0.020 1 55 7 7 THR HB H 4.030 0.020 1 56 7 7 THR HG1 H 5.142 0.020 1 57 7 7 THR HG2 H 1.133 0.020 1 58 7 7 THR C C 173.670 0.400 1 59 7 7 THR CA C 66.707 0.400 1 60 7 7 THR CB C 68.545 0.400 1 61 7 7 THR CG2 C 22.451 0.400 1 62 7 7 THR N N 125.637 0.400 1 63 8 8 LEU H H 9.259 0.020 1 64 8 8 LEU HA H 4.442 0.020 1 65 8 8 LEU HB2 H 1.492 0.020 2 66 8 8 LEU HB3 H 1.265 0.020 2 67 8 8 LEU HG H 1.628 0.020 1 68 8 8 LEU HD1 H 0.737 0.020 2 69 8 8 LEU HD2 H 0.747 0.020 2 70 8 8 LEU C C 176.805 0.400 1 71 8 8 LEU CA C 55.675 0.400 1 72 8 8 LEU CB C 42.962 0.400 1 73 8 8 LEU CG C 27.413 0.400 1 74 8 8 LEU CD1 C 25.444 0.400 2 75 8 8 LEU CD2 C 22.457 0.400 2 76 8 8 LEU N N 128.943 0.400 1 77 9 9 ALA H H 8.184 0.020 1 78 9 9 ALA HA H 4.464 0.020 1 79 9 9 ALA HB H 1.346 0.020 1 80 9 9 ALA C C 175.507 0.400 1 81 9 9 ALA CA C 52.146 0.400 1 82 9 9 ALA CB C 21.689 0.400 1 83 9 9 ALA N N 122.590 0.400 1 84 10 10 ALA H H 8.477 0.020 1 85 10 10 ALA HA H 4.087 0.020 1 86 10 10 ALA HB H 1.380 0.020 1 87 10 10 ALA C C 178.701 0.400 1 88 10 10 ALA CA C 53.174 0.400 1 89 10 10 ALA CB C 19.651 0.400 1 90 10 10 ALA N N 125.304 0.400 1 91 11 11 GLY H H 8.526 0.020 1 92 11 11 GLY HA2 H 4.082 0.020 2 93 11 11 GLY HA3 H 3.473 0.020 2 94 11 11 GLY C C 173.360 0.400 1 95 11 11 GLY CA C 44.119 0.400 1 96 11 11 GLY N N 107.868 0.400 1 97 12 12 ASP H H 8.060 0.020 1 98 12 12 ASP HA H 4.164 0.020 1 99 12 12 ASP HB2 H 2.920 0.020 2 100 12 12 ASP HB3 H 2.611 0.020 2 101 12 12 ASP C C 176.548 0.400 1 102 12 12 ASP CA C 54.410 0.400 1 103 12 12 ASP CB C 39.421 0.400 1 104 12 12 ASP N N 118.081 0.400 1 105 13 13 GLU H H 8.784 0.020 1 106 13 13 GLU HA H 3.486 0.020 1 107 13 13 GLU HB2 H 2.176 0.020 2 108 13 13 GLU HB3 H 1.976 0.020 2 109 13 13 GLU HG2 H 2.159 0.020 2 110 13 13 GLU HG3 H 1.964 0.020 2 111 13 13 GLU C C 174.734 0.400 1 112 13 13 GLU CA C 57.388 0.400 1 113 13 13 GLU CB C 27.352 0.400 1 114 13 13 GLU CG C 37.367 0.400 1 115 13 13 GLU N N 114.503 0.400 1 116 14 14 ALA H H 8.340 0.020 1 117 14 14 ALA HA H 4.618 0.020 1 118 14 14 ALA HB H 1.166 0.020 1 119 14 14 ALA C C 176.977 0.400 1 120 14 14 ALA CA C 53.482 0.400 1 121 14 14 ALA CB C 22.408 0.400 1 122 14 14 ALA N N 118.545 0.400 1 123 15 15 THR H H 10.136 0.020 1 124 15 15 THR HA H 4.184 0.020 1 125 15 15 THR HB H 4.185 0.020 1 126 15 15 THR HG1 H 4.885 0.020 1 127 15 15 THR HG2 H 1.013 0.020 1 128 15 15 THR C C 172.263 0.400 1 129 15 15 THR CA C 61.843 0.400 1 130 15 15 THR CB C 66.952 0.400 1 131 15 15 THR CG2 C 21.909 0.400 1 132 15 15 THR N N 122.747 0.400 1 133 16 16 TYR H H 8.079 0.020 1 134 16 16 TYR HA H 5.264 0.020 1 135 16 16 TYR HB2 H 2.861 0.020 2 136 16 16 TYR HB3 H 2.485 0.020 2 137 16 16 TYR HD1 H 6.801 0.020 3 138 16 16 TYR HD2 H 6.801 0.020 3 139 16 16 TYR HE1 H 6.432 0.020 3 140 16 16 TYR HE2 H 6.432 0.020 3 141 16 16 TYR C C 172.231 0.400 1 142 16 16 TYR CA C 53.957 0.400 1 143 16 16 TYR CB C 39.263 0.400 1 144 16 16 TYR CE1 C 117.445 0.400 3 145 16 16 TYR N N 125.123 0.400 1 146 17 17 PRO HA H 4.342 0.020 1 147 17 17 PRO HB2 H 1.676 0.020 2 148 17 17 PRO HB3 H 1.789 0.020 2 149 17 17 PRO HG2 H 2.044 0.020 2 150 17 17 PRO HG3 H 1.581 0.020 2 151 17 17 PRO HD2 H 4.136 0.020 2 152 17 17 PRO HD3 H 3.947 0.020 2 153 17 17 PRO C C 175.612 0.400 1 154 17 17 PRO CA C 62.666 0.400 1 155 17 17 PRO CB C 31.510 0.400 1 156 17 17 PRO CG C 28.000 0.400 1 157 17 17 PRO CD C 51.017 0.400 1 158 18 18 LYS H H 8.493 0.020 1 159 18 18 LYS HA H 4.395 0.020 1 160 18 18 LYS HB2 H 1.784 0.020 2 161 18 18 LYS HB3 H 1.465 0.020 2 162 18 18 LYS HG2 H 1.459 0.020 2 163 18 18 LYS HG3 H 1.394 0.020 2 164 18 18 LYS HD2 H 1.624 0.020 2 165 18 18 LYS HD3 H 1.624 0.020 2 166 18 18 LYS HE2 H 2.946 0.020 2 167 18 18 LYS HE3 H 2.946 0.020 2 168 18 18 LYS C C 175.708 0.400 1 169 18 18 LYS CA C 53.655 0.400 1 170 18 18 LYS CB C 34.005 0.400 1 171 18 18 LYS CG C 24.868 0.400 1 172 18 18 LYS CD C 28.866 0.400 1 173 18 18 LYS CE C 42.151 0.400 1 174 18 18 LYS N N 124.035 0.400 1 175 19 19 ALA H H 8.181 0.020 1 176 19 19 ALA HA H 3.825 0.020 1 177 19 19 ALA HB H 1.295 0.020 1 178 19 19 ALA C C 179.360 0.400 1 179 19 19 ALA CA C 53.439 0.400 1 180 19 19 ALA CB C 17.655 0.400 1 181 19 19 ALA N N 121.217 0.400 1 182 20 20 GLY H H 8.970 0.020 1 183 20 20 GLY HA2 H 4.297 0.020 2 184 20 20 GLY HA3 H 3.212 0.020 2 185 20 20 GLY CA C 45.132 0.400 1 186 20 20 GLY N N 110.511 0.400 1 187 21 21 GLN H H 8.179 0.020 1 188 21 21 GLN HA H 4.502 0.020 1 189 21 21 GLN HB2 H 2.117 0.020 2 190 21 21 GLN HB3 H 1.895 0.020 2 191 21 21 GLN HG2 H 2.202 0.020 2 192 21 21 GLN HG3 H 2.128 0.020 2 193 21 21 GLN HE21 H 6.428 0.020 2 194 21 21 GLN HE22 H 7.503 0.020 2 195 21 21 GLN C C 173.665 0.400 1 196 21 21 GLN CA C 55.680 0.400 1 197 21 21 GLN CB C 30.357 0.400 1 198 21 21 GLN CG C 35.780 0.400 1 199 21 21 GLN N N 119.934 0.400 1 200 21 21 GLN NE2 N 110.870 0.400 1 201 22 22 VAL H H 8.505 0.020 1 202 22 22 VAL HA H 4.321 0.020 1 203 22 22 VAL HB H 1.726 0.020 1 204 22 22 VAL HG1 H 0.741 0.020 2 205 22 22 VAL HG2 H 0.477 0.020 2 206 22 22 VAL C C 175.231 0.400 1 207 22 22 VAL CA C 61.564 0.400 1 208 22 22 VAL CB C 32.961 0.400 1 209 22 22 VAL CG1 C 21.551 0.400 2 210 22 22 VAL CG2 C 21.252 0.400 2 211 22 22 VAL N N 121.184 0.400 1 212 23 23 ALA H H 8.429 0.020 1 213 23 23 ALA HA H 4.407 0.020 1 214 23 23 ALA HB H 0.462 0.020 1 215 23 23 ALA C C 174.523 0.400 1 216 23 23 ALA CA C 50.295 0.400 1 217 23 23 ALA CB C 20.451 0.400 1 218 23 23 ALA N N 128.534 0.400 1 219 24 24 VAL H H 7.749 0.020 1 220 24 24 VAL HA H 4.630 0.020 1 221 24 24 VAL HB H 1.841 0.020 1 222 24 24 VAL HG1 H 0.635 0.020 2 223 24 24 VAL HG2 H 0.569 0.020 2 224 24 24 VAL C C 176.193 0.400 1 225 24 24 VAL CA C 61.229 0.400 1 226 24 24 VAL CB C 31.649 0.400 1 227 24 24 VAL CG1 C 21.361 0.400 2 228 24 24 VAL CG2 C 20.198 0.400 2 229 24 24 VAL N N 120.915 0.400 1 230 25 25 VAL H H 9.470 0.020 1 231 25 25 VAL HA H 5.753 0.020 1 232 25 25 VAL HB H 2.202 0.020 1 233 25 25 VAL HG1 H 0.800 0.020 2 234 25 25 VAL HG2 H 1.050 0.020 2 235 25 25 VAL C C 175.625 0.400 1 236 25 25 VAL CA C 58.022 0.400 1 237 25 25 VAL CB C 35.799 0.400 1 238 25 25 VAL CG1 C 21.918 0.400 2 239 25 25 VAL CG2 C 19.687 0.400 2 240 25 25 VAL N N 117.581 0.400 1 241 26 26 HIS H H 8.478 0.020 1 242 26 26 HIS HA H 5.708 0.020 1 243 26 26 HIS HB2 H 2.768 0.020 2 244 26 26 HIS HB3 H 2.673 0.020 2 245 26 26 HIS HD2 H 6.902 0.020 1 246 26 26 HIS HE1 H 7.029 0.020 1 247 26 26 HIS C C 176.486 0.400 1 248 26 26 HIS CA C 54.616 0.400 1 249 26 26 HIS CB C 35.532 0.400 1 250 26 26 HIS N N 119.004 0.400 1 251 27 27 TYR H H 9.754 0.020 1 252 27 27 TYR HA H 6.388 0.020 1 253 27 27 TYR HB2 H 2.807 0.020 2 254 27 27 TYR HB3 H 2.739 0.020 2 255 27 27 TYR HD1 H 6.868 0.020 3 256 27 27 TYR HD2 H 6.868 0.020 3 257 27 27 TYR HE1 H 6.542 0.020 3 258 27 27 TYR HE2 H 6.542 0.020 3 259 27 27 TYR C C 173.969 0.400 1 260 27 27 TYR CA C 56.104 0.400 1 261 27 27 TYR CB C 44.070 0.400 1 262 27 27 TYR CD2 C 133.153 0.400 3 263 27 27 TYR CE2 C 117.824 0.400 3 264 27 27 TYR N N 117.362 0.400 1 265 28 28 THR H H 8.456 0.020 1 266 28 28 THR HA H 4.556 0.020 1 267 28 28 THR HB H 3.973 0.020 1 268 28 28 THR HG2 H 1.201 0.020 1 269 28 28 THR C C 173.615 0.400 1 270 28 28 THR CA C 63.145 0.400 1 271 28 28 THR CB C 72.780 0.400 1 272 28 28 THR CG2 C 23.028 0.400 1 273 28 28 THR N N 116.185 0.400 1 274 29 29 GLY H H 9.447 0.020 1 275 29 29 GLY HA2 H 4.691 0.020 2 276 29 29 GLY HA3 H 2.441 0.020 2 277 29 29 GLY C C 171.481 0.400 1 278 29 29 GLY CA C 45.730 0.400 1 279 29 29 GLY N N 117.568 0.400 1 280 30 30 THR H H 9.227 0.020 1 281 30 30 THR HA H 5.376 0.020 1 282 30 30 THR HB H 3.955 0.020 1 283 30 30 THR HG2 H 0.966 0.020 1 284 30 30 THR C C 175.178 0.400 1 285 30 30 THR CA C 59.426 0.400 1 286 30 30 THR CB C 72.212 0.400 1 287 30 30 THR CG2 C 22.603 0.400 1 288 30 30 THR N N 117.374 0.400 1 289 31 31 LEU H H 8.514 0.020 1 290 31 31 LEU HA H 4.649 0.020 1 291 31 31 LEU HB2 H 2.211 0.020 2 292 31 31 LEU HB3 H 1.762 0.020 2 293 31 31 LEU HG H 1.832 0.020 1 294 31 31 LEU HD1 H 0.984 0.020 2 295 31 31 LEU HD2 H 0.719 0.020 2 296 31 31 LEU C C 179.920 0.400 1 297 31 31 LEU CA C 53.810 0.400 1 298 31 31 LEU CB C 42.899 0.400 1 299 31 31 LEU CG C 27.904 0.400 1 300 31 31 LEU CD1 C 25.980 0.400 2 301 31 31 LEU CD2 C 23.889 0.400 2 302 31 31 LEU N N 120.688 0.400 1 303 32 32 ALA H H 9.561 0.020 1 304 32 32 ALA HA H 4.070 0.020 1 305 32 32 ALA HB H 1.435 0.020 1 306 32 32 ALA C C 178.198 0.400 1 307 32 32 ALA CA C 55.131 0.400 1 308 32 32 ALA CB C 18.443 0.400 1 309 32 32 ALA N N 124.750 0.400 1 310 33 33 ASP H H 7.722 0.020 1 311 33 33 ASP HA H 4.406 0.020 1 312 33 33 ASP HB2 H 2.955 0.020 2 313 33 33 ASP HB3 H 2.502 0.020 2 314 33 33 ASP C C 177.251 0.400 1 315 33 33 ASP CA C 53.385 0.400 1 316 33 33 ASP CB C 40.030 0.400 1 317 33 33 ASP N N 114.354 0.400 1 318 34 34 GLY H H 8.201 0.020 1 319 34 34 GLY HA2 H 4.270 0.020 2 320 34 34 GLY HA3 H 3.499 0.020 2 321 34 34 GLY C C 174.171 0.400 1 322 34 34 GLY CA C 44.757 0.400 1 323 34 34 GLY N N 108.394 0.400 1 324 35 35 LYS H H 7.893 0.020 1 325 35 35 LYS HA H 4.052 0.020 1 326 35 35 LYS HB2 H 1.882 0.020 2 327 35 35 LYS HB3 H 1.732 0.020 2 328 35 35 LYS HG2 H 1.367 0.020 2 329 35 35 LYS HG3 H 1.232 0.020 2 330 35 35 LYS HD2 H 1.679 0.020 2 331 35 35 LYS HE2 H 2.920 0.020 2 332 35 35 LYS HE3 H 2.920 0.020 2 333 35 35 LYS C C 176.470 0.400 1 334 35 35 LYS CA C 57.317 0.400 1 335 35 35 LYS CB C 32.867 0.400 1 336 35 35 LYS CG C 25.138 0.400 1 337 35 35 LYS CD C 29.024 0.400 1 338 35 35 LYS N N 122.230 0.400 1 339 36 36 VAL H H 8.554 0.020 1 340 36 36 VAL HA H 4.348 0.020 1 341 36 36 VAL HB H 1.903 0.020 1 342 36 36 VAL HG1 H 0.885 0.020 2 343 36 36 VAL HG2 H 0.752 0.020 2 344 36 36 VAL C C 177.051 0.400 1 345 36 36 VAL CA C 62.220 0.400 1 346 36 36 VAL CB C 32.428 0.400 1 347 36 36 VAL CG1 C 21.597 0.400 2 348 36 36 VAL CG2 C 21.263 0.400 2 349 36 36 VAL N N 126.791 0.400 1 350 37 37 PHE H H 8.161 0.020 1 351 37 37 PHE HA H 5.012 0.020 1 352 37 37 PHE HB2 H 3.230 0.020 2 353 37 37 PHE HB3 H 2.568 0.020 2 354 37 37 PHE HD1 H 6.945 0.020 3 355 37 37 PHE HD2 H 6.945 0.020 3 356 37 37 PHE HE1 H 7.220 0.020 3 357 37 37 PHE HE2 H 7.220 0.020 3 358 37 37 PHE C C 174.494 0.400 1 359 37 37 PHE CA C 56.066 0.400 1 360 37 37 PHE CB C 40.607 0.400 1 361 37 37 PHE CD1 C 130.498 0.400 3 362 37 37 PHE CE1 C 131.021 0.400 3 363 37 37 PHE N N 123.931 0.400 1 364 38 38 ASP H H 6.619 0.020 1 365 38 38 ASP HA H 4.724 0.020 1 366 38 38 ASP HB2 H 3.285 0.020 2 367 38 38 ASP HB3 H 2.163 0.020 2 368 38 38 ASP C C 174.312 0.400 1 369 38 38 ASP CA C 54.803 0.400 1 370 38 38 ASP CB C 44.024 0.400 1 371 38 38 ASP N N 118.725 0.400 1 372 39 39 SER H H 8.027 0.020 1 373 39 39 SER HA H 4.612 0.020 1 374 39 39 SER HB2 H 3.904 0.020 2 375 39 39 SER HB3 H 3.657 0.020 2 376 39 39 SER C C 174.710 0.400 1 377 39 39 SER CA C 56.661 0.400 1 378 39 39 SER CB C 64.577 0.400 1 379 39 39 SER N N 118.390 0.400 1 380 40 40 SER H H 8.106 0.020 1 381 40 40 SER HA H 4.190 0.020 1 382 40 40 SER HB2 H 4.840 0.020 2 383 40 40 SER HB3 H 3.690 0.020 2 384 40 40 SER HG H 4.660 0.020 1 385 40 40 SER C C 176.725 0.400 1 386 40 40 SER CA C 60.977 0.400 1 387 40 40 SER CB C 61.868 0.400 1 388 40 40 SER N N 123.658 0.400 1 389 41 41 ARG H H 7.698 0.020 1 390 41 41 ARG HA H 3.540 0.020 1 391 41 41 ARG HB2 H 1.438 0.020 2 392 41 41 ARG HB3 H 1.372 0.020 2 393 41 41 ARG HG2 H 1.176 0.020 2 394 41 41 ARG HG3 H 0.704 0.020 2 395 41 41 ARG HD2 H 2.715 0.020 2 396 41 41 ARG HD3 H 2.715 0.020 2 397 41 41 ARG C C 179.389 0.400 1 398 41 41 ARG CA C 59.159 0.400 1 399 41 41 ARG CB C 29.044 0.400 1 400 41 41 ARG CG C 28.814 0.400 1 401 41 41 ARG CD C 42.909 0.400 1 402 41 41 ARG N N 123.343 0.400 1 403 42 42 THR H H 7.216 0.020 1 404 42 42 THR HA H 3.912 0.020 1 405 42 42 THR HB H 4.122 0.020 1 406 42 42 THR HG2 H 1.159 0.020 1 407 42 42 THR C C 175.726 0.400 1 408 42 42 THR CA C 64.426 0.400 1 409 42 42 THR CB C 68.193 0.400 1 410 42 42 THR CG2 C 22.097 0.400 1 411 42 42 THR N N 111.923 0.400 1 412 43 43 ARG H H 7.059 0.020 1 413 43 43 ARG HA H 4.323 0.020 1 414 43 43 ARG HB2 H 2.032 0.020 2 415 43 43 ARG HB3 H 1.961 0.020 2 416 43 43 ARG HG2 H 1.784 0.020 2 417 43 43 ARG HG3 H 1.649 0.020 2 418 43 43 ARG HD2 H 3.409 0.020 2 419 43 43 ARG HD3 H 3.236 0.020 2 420 43 43 ARG C C 177.438 0.400 1 421 43 43 ARG CA C 57.424 0.400 1 422 43 43 ARG CB C 31.451 0.400 1 423 43 43 ARG CG C 28.756 0.400 1 424 43 43 ARG CD C 43.612 0.400 1 425 43 43 ARG N N 118.233 0.400 1 426 44 44 GLY H H 7.674 0.020 1 427 44 44 GLY HA2 H 4.130 0.020 2 428 44 44 GLY HA3 H 3.746 0.020 2 429 44 44 GLY C C 173.575 0.400 1 430 44 44 GLY CA C 45.915 0.400 1 431 44 44 GLY N N 106.057 0.400 1 432 45 45 LYS H H 7.296 0.020 1 433 45 45 LYS HA H 4.926 0.020 1 434 45 45 LYS HB2 H 1.826 0.020 2 435 45 45 LYS HB3 H 1.664 0.020 2 436 45 45 LYS HG2 H 1.427 0.020 2 437 45 45 LYS HG3 H 1.427 0.020 2 438 45 45 LYS HD2 H 2.008 0.020 2 439 45 45 LYS HD3 H 2.008 0.020 2 440 45 45 LYS HE2 H 3.235 0.020 2 441 45 45 LYS HE3 H 3.235 0.020 2 442 45 45 LYS C C 172.669 0.400 1 443 45 45 LYS CA C 53.059 0.400 1 444 45 45 LYS CB C 34.860 0.400 1 445 45 45 LYS CG C 24.239 0.400 1 446 45 45 LYS N N 118.236 0.400 1 447 46 46 PRO HA H 3.915 0.020 1 448 46 46 PRO HB2 H 1.190 0.020 2 449 46 46 PRO HB3 H 1.392 0.020 2 450 46 46 PRO HG2 H 1.604 0.020 2 451 46 46 PRO HG3 H 1.343 0.020 2 452 46 46 PRO HD2 H 3.617 0.020 2 453 46 46 PRO HD3 H 3.580 0.020 2 454 46 46 PRO C C 174.215 0.400 1 455 46 46 PRO CA C 62.586 0.400 1 456 46 46 PRO CB C 32.569 0.400 1 457 46 46 PRO CG C 26.656 0.400 1 458 46 46 PRO CD C 50.582 0.400 1 459 47 47 PHE H H 9.201 0.020 1 460 47 47 PHE HA H 4.851 0.020 1 461 47 47 PHE HB2 H 3.458 0.020 2 462 47 47 PHE HB3 H 3.167 0.020 2 463 47 47 PHE HD1 H 7.285 0.020 3 464 47 47 PHE HD2 H 7.285 0.020 3 465 47 47 PHE C C 172.892 0.400 1 466 47 47 PHE CA C 56.991 0.400 1 467 47 47 PHE CB C 43.021 0.400 1 468 47 47 PHE N N 123.712 0.400 1 469 48 48 ARG H H 7.440 0.020 1 470 48 48 ARG HA H 5.456 0.020 1 471 48 48 ARG HB2 H 1.372 0.020 2 472 48 48 ARG HB3 H 1.341 0.020 2 473 48 48 ARG HG2 H 1.377 0.020 2 474 48 48 ARG HG3 H 1.279 0.020 2 475 48 48 ARG HD2 H 3.057 0.020 2 476 48 48 ARG HD3 H 2.927 0.020 2 477 48 48 ARG C C 174.532 0.400 1 478 48 48 ARG CA C 53.663 0.400 1 479 48 48 ARG CB C 33.693 0.400 1 480 48 48 ARG CG C 27.715 0.400 1 481 48 48 ARG CD C 43.217 0.400 1 482 48 48 ARG N N 125.619 0.400 1 483 49 49 PHE H H 8.304 0.020 1 484 49 49 PHE HA H 4.659 0.020 1 485 49 49 PHE HB2 H 2.937 0.020 2 486 49 49 PHE HB3 H 2.920 0.020 2 487 49 49 PHE HD1 H 6.978 0.020 3 488 49 49 PHE HD2 H 6.978 0.020 3 489 49 49 PHE HE1 H 7.143 0.020 3 490 49 49 PHE HE2 H 7.143 0.020 3 491 49 49 PHE HZ H 6.853 0.020 1 492 49 49 PHE C C 171.727 0.400 1 493 49 49 PHE CA C 55.946 0.400 1 494 49 49 PHE CB C 41.513 0.400 1 495 49 49 PHE CE2 C 130.948 0.400 3 496 49 49 PHE CZ C 127.992 0.400 1 497 49 49 PHE N N 117.234 0.400 1 498 50 50 THR H H 8.734 0.020 1 499 50 50 THR HA H 4.334 0.020 1 500 50 50 THR HB H 3.811 0.020 1 501 50 50 THR HG2 H 0.881 0.020 1 502 50 50 THR C C 174.289 0.400 1 503 50 50 THR CA C 62.216 0.400 1 504 50 50 THR CB C 67.757 0.400 1 505 50 50 THR CG2 C 21.866 0.400 1 506 50 50 THR N N 119.365 0.400 1 507 51 51 VAL H H 8.907 0.020 1 508 51 51 VAL HA H 3.708 0.020 1 509 51 51 VAL HB H 1.971 0.020 1 510 51 51 VAL HG1 H 0.618 0.020 2 511 51 51 VAL HG2 H 0.779 0.020 2 512 51 51 VAL C C 177.542 0.400 1 513 51 51 VAL CA C 64.419 0.400 1 514 51 51 VAL CB C 31.663 0.400 1 515 51 51 VAL CG1 C 23.150 0.400 2 516 51 51 VAL CG2 C 20.826 0.400 2 517 51 51 VAL N N 130.756 0.400 1 518 52 52 GLY H H 9.582 0.400 1 519 52 52 GLY HA2 H 3.986 0.020 2 520 52 52 GLY HA3 H 3.742 0.020 2 521 52 52 GLY C C 175.147 0.400 1 522 52 52 GLY CA C 46.250 0.400 1 523 52 52 GLY N N 116.129 0.400 1 524 53 53 ARG H H 7.971 0.020 1 525 53 53 ARG HA H 4.619 0.020 1 526 53 53 ARG HB2 H 2.065 0.020 2 527 53 53 ARG HB3 H 1.609 0.020 2 528 53 53 ARG HG2 H 1.575 0.020 2 529 53 53 ARG HG3 H 1.417 0.020 2 530 53 53 ARG HD2 H 3.176 0.020 2 531 53 53 ARG HD3 H 3.083 0.020 2 532 53 53 ARG C C 176.286 0.400 1 533 53 53 ARG CA C 54.222 0.400 1 534 53 53 ARG CB C 31.656 0.400 1 535 53 53 ARG CG C 27.160 0.400 1 536 53 53 ARG CD C 42.997 0.400 1 537 53 53 ARG N N 117.920 0.400 1 538 54 54 GLY H H 8.908 0.020 1 539 54 54 GLY HA2 H 3.944 0.020 2 540 54 54 GLY HA3 H 3.944 0.020 2 541 54 54 GLY C C 175.719 0.400 1 542 54 54 GLY CA C 46.711 0.400 1 543 54 54 GLY N N 112.121 0.400 1 544 55 55 GLU H H 9.254 0.020 1 545 55 55 GLU HA H 4.110 0.020 1 546 55 55 GLU HB2 H 2.157 0.020 2 547 55 55 GLU HB3 H 2.110 0.020 2 548 55 55 GLU HG2 H 2.258 0.020 2 549 55 55 GLU HG3 H 2.258 0.020 2 550 55 55 GLU C C 175.466 0.400 1 551 55 55 GLU CA C 57.513 0.400 1 552 55 55 GLU CB C 30.838 0.400 1 553 55 55 GLU CG C 36.886 0.400 1 554 55 55 GLU N N 119.450 0.400 1 555 56 56 VAL H H 6.826 0.020 1 556 56 56 VAL HA H 4.179 0.020 1 557 56 56 VAL HB H 1.396 0.020 1 558 56 56 VAL HG1 H 0.118 0.020 2 559 56 56 VAL HG2 H 0.231 0.020 2 560 56 56 VAL C C 175.156 0.400 1 561 56 56 VAL CA C 57.578 0.400 1 562 56 56 VAL CB C 35.813 0.400 1 563 56 56 VAL CG1 C 21.854 0.400 2 564 56 56 VAL CG2 C 18.936 0.400 2 565 56 56 VAL N N 108.923 0.400 1 566 57 57 ILE H H 7.224 0.020 1 567 57 57 ILE HA H 3.800 0.020 1 568 57 57 ILE HB H 2.002 0.020 1 569 57 57 ILE HG12 H 0.942 0.020 2 570 57 57 ILE HG13 H 0.450 0.020 2 571 57 57 ILE HG2 H 0.090 0.020 1 572 57 57 ILE HD1 H 0.707 0.020 1 573 57 57 ILE C C 177.148 0.400 1 574 57 57 ILE CA C 61.852 0.400 1 575 57 57 ILE CB C 38.236 0.400 1 576 57 57 ILE CG1 C 25.214 0.400 1 577 57 57 ILE CG2 C 17.514 0.400 1 578 57 57 ILE CD1 C 14.407 0.400 1 579 57 57 ILE N N 111.592 0.400 1 580 58 58 ARG H H 8.722 0.020 1 581 58 58 ARG HA H 4.074 0.020 1 582 58 58 ARG HB2 H 1.673 0.020 2 583 58 58 ARG HB3 H 1.283 0.020 2 584 58 58 ARG HG2 H 1.580 0.020 2 585 58 58 ARG HG3 H 1.194 0.020 2 586 58 58 ARG HD2 H 2.820 0.020 2 587 58 58 ARG HD3 H 2.266 0.020 2 588 58 58 ARG C C 178.934 0.400 1 589 58 58 ARG CA C 59.827 0.400 1 590 58 58 ARG CB C 30.907 0.400 1 591 58 58 ARG CG C 27.118 0.400 1 592 58 58 ARG CD C 43.426 0.400 1 593 58 58 ARG N N 124.810 0.400 1 594 59 59 GLY H H 9.330 0.020 1 595 59 59 GLY HA2 H 4.094 0.020 2 596 59 59 GLY HA3 H 3.903 0.020 2 597 59 59 GLY C C 175.368 0.400 1 598 59 59 GLY CA C 47.926 0.400 1 599 59 59 GLY N N 101.886 0.400 1 600 60 60 TRP H H 7.419 0.020 1 601 60 60 TRP HA H 4.329 0.020 1 602 60 60 TRP HB2 H 2.801 0.020 2 603 60 60 TRP HB3 H 2.654 0.020 2 604 60 60 TRP HD1 H 6.242 0.020 1 605 60 60 TRP HE1 H 5.490 0.020 1 606 60 60 TRP HE3 H 6.392 0.020 1 607 60 60 TRP HZ2 H 5.998 0.020 1 608 60 60 TRP HH2 H 5.441 0.020 1 609 60 60 TRP C C 177.247 0.400 1 610 60 60 TRP CA C 59.463 0.400 1 611 60 60 TRP CB C 29.228 0.400 1 612 60 60 TRP CZ2 C 112.073 0.400 1 613 60 60 TRP N N 119.582 0.400 1 614 60 60 TRP NE1 N 118.591 0.400 1 615 61 61 ASP H H 7.361 0.020 1 616 61 61 ASP HA H 4.727 0.020 1 617 61 61 ASP HB2 H 2.685 0.020 2 618 61 61 ASP HB3 H 2.559 0.020 2 619 61 61 ASP C C 178.796 0.400 1 620 61 61 ASP CA C 58.373 0.400 1 621 61 61 ASP CB C 41.372 0.400 1 622 61 61 ASP N N 121.099 0.400 1 623 62 62 GLU H H 8.347 0.020 1 624 62 62 GLU HA H 4.181 0.020 1 625 62 62 GLU HB2 H 2.111 0.020 2 626 62 62 GLU HB3 H 1.888 0.020 2 627 62 62 GLU HG2 H 2.408 0.020 2 628 62 62 GLU HG3 H 2.212 0.020 2 629 62 62 GLU C C 179.414 0.400 1 630 62 62 GLU CA C 58.466 0.400 1 631 62 62 GLU CB C 30.332 0.400 1 632 62 62 GLU CG C 37.149 0.400 1 633 62 62 GLU N N 113.092 0.400 1 634 63 63 GLY H H 7.896 0.020 1 635 63 63 GLY HA2 H 3.683 0.020 2 636 63 63 GLY HA3 H 3.683 0.020 2 637 63 63 GLY C C 175.101 0.400 1 638 63 63 GLY CA C 47.121 0.400 1 639 63 63 GLY N N 108.077 0.400 1 640 64 64 VAL H H 8.816 0.020 1 641 64 64 VAL HA H 3.760 0.020 1 642 64 64 VAL HB H 2.301 0.020 1 643 64 64 VAL HG1 H 0.889 0.020 2 644 64 64 VAL HG2 H 0.838 0.020 2 645 64 64 VAL C C 177.196 0.400 1 646 64 64 VAL CA C 65.704 0.400 1 647 64 64 VAL CB C 31.000 0.400 1 648 64 64 VAL CG1 C 23.516 0.400 2 649 64 64 VAL CG2 C 21.970 0.400 2 650 64 64 VAL N N 120.637 0.400 1 651 65 65 ALA H H 6.552 0.020 1 652 65 65 ALA HA H 4.177 0.020 1 653 65 65 ALA HB H 1.457 0.020 1 654 65 65 ALA C C 177.710 0.400 1 655 65 65 ALA CA C 54.165 0.400 1 656 65 65 ALA CB C 18.466 0.400 1 657 65 65 ALA N N 116.848 0.400 1 658 66 66 GLN H H 7.134 0.020 1 659 66 66 GLN HA H 4.334 0.020 1 660 66 66 GLN HB2 H 2.349 0.020 2 661 66 66 GLN HB3 H 2.107 0.020 2 662 66 66 GLN HG2 H 2.493 0.020 2 663 66 66 GLN HG3 H 2.336 0.020 2 664 66 66 GLN HE21 H 7.005 0.020 2 665 66 66 GLN HE22 H 7.057 0.020 2 666 66 66 GLN C C 175.697 0.400 1 667 66 66 GLN CA C 55.488 0.400 1 668 66 66 GLN CB C 30.108 0.400 1 669 66 66 GLN CG C 34.408 0.400 1 670 66 66 GLN N N 112.649 0.400 1 671 66 66 GLN NE2 N 111.056 0.400 1 672 67 67 MET H H 7.851 0.020 1 673 67 67 MET HA H 4.816 0.020 1 674 67 67 MET HB2 H 2.054 0.020 2 675 67 67 MET HB3 H 1.882 0.020 2 676 67 67 MET HG2 H 2.707 0.020 2 677 67 67 MET HG3 H 1.902 0.020 2 678 67 67 MET HE H 1.784 0.020 1 679 67 67 MET C C 171.954 0.400 1 680 67 67 MET CA C 55.001 0.400 1 681 67 67 MET CB C 35.886 0.400 1 682 67 67 MET CG C 31.729 0.400 1 683 67 67 MET CE C 17.702 0.400 1 684 67 67 MET N N 122.493 0.400 1 685 68 68 SER H H 8.108 0.020 1 686 68 68 SER HA H 4.885 0.020 1 687 68 68 SER HB2 H 3.799 0.020 2 688 68 68 SER HB3 H 2.311 0.020 2 689 68 68 SER HG H 5.108 0.020 1 690 68 68 SER C C 176.173 0.400 1 691 68 68 SER CA C 54.627 0.400 1 692 68 68 SER CB C 65.918 0.400 1 693 68 68 SER N N 107.708 0.400 1 694 69 69 VAL H H 7.515 0.020 1 695 69 69 VAL HA H 3.067 0.020 1 696 69 69 VAL HB H 1.808 0.020 1 697 69 69 VAL HG1 H 0.876 0.020 2 698 69 69 VAL HG2 H 0.829 0.020 2 699 69 69 VAL C C 176.552 0.400 1 700 69 69 VAL CA C 67.002 0.400 1 701 69 69 VAL CB C 31.681 0.400 1 702 69 69 VAL CG1 C 23.765 0.400 2 703 69 69 VAL CG2 C 21.460 0.400 2 704 69 69 VAL N N 120.074 0.400 1 705 70 70 GLY H H 8.870 0.020 1 706 70 70 GLY HA2 H 4.382 0.020 2 707 70 70 GLY HA3 H 3.749 0.020 2 708 70 70 GLY C C 173.809 0.400 1 709 70 70 GLY CA C 44.335 0.400 1 710 70 70 GLY N N 116.701 0.400 1 711 71 71 GLN H H 8.669 0.020 1 712 71 71 GLN HA H 4.121 0.020 1 713 71 71 GLN HB2 H 2.128 0.020 2 714 71 71 GLN HB3 H 2.128 0.020 2 715 71 71 GLN HG2 H 3.095 0.020 2 716 71 71 GLN HG3 H 2.102 0.020 2 717 71 71 GLN HE21 H 6.479 0.020 2 718 71 71 GLN HE22 H 7.690 0.020 2 719 71 71 GLN C C 174.178 0.400 1 720 71 71 GLN CA C 55.600 0.400 1 721 71 71 GLN CB C 30.488 0.400 1 722 71 71 GLN CG C 33.494 0.400 1 723 71 71 GLN N N 123.501 0.400 1 724 71 71 GLN NE2 N 109.747 0.400 1 725 72 72 ARG H H 8.636 0.020 1 726 72 72 ARG HA H 5.578 0.020 1 727 72 72 ARG HB2 H 1.749 0.020 2 728 72 72 ARG HB3 H 1.618 0.020 2 729 72 72 ARG HG2 H 1.541 0.020 2 730 72 72 ARG HG3 H 1.386 0.020 2 731 72 72 ARG HD2 H 2.971 0.020 2 732 72 72 ARG HD3 H 2.897 0.020 2 733 72 72 ARG C C 175.528 0.400 1 734 72 72 ARG CA C 53.827 0.400 1 735 72 72 ARG CB C 33.646 0.400 1 736 72 72 ARG CG C 27.546 0.400 1 737 72 72 ARG CD C 43.789 0.400 1 738 72 72 ARG N N 124.017 0.400 1 739 73 73 ALA H H 9.802 0.020 1 740 73 73 ALA HA H 5.175 0.020 1 741 73 73 ALA HB H 1.209 0.020 1 742 73 73 ALA C C 174.432 0.400 1 743 73 73 ALA CA C 50.938 0.400 1 744 73 73 ALA CB C 23.525 0.400 1 745 73 73 ALA N N 130.252 0.400 1 746 74 74 LYS H H 9.201 0.020 1 747 74 74 LYS HA H 5.356 0.020 1 748 74 74 LYS HB2 H 1.573 0.020 2 749 74 74 LYS HB3 H 1.573 0.020 2 750 74 74 LYS HG2 H 1.433 0.020 2 751 74 74 LYS HG3 H 1.158 0.020 2 752 74 74 LYS HD2 H 1.554 0.020 2 753 74 74 LYS HD3 H 1.535 0.020 2 754 74 74 LYS HE2 H 2.758 0.020 2 755 74 74 LYS HE3 H 2.758 0.020 2 756 74 74 LYS C C 175.189 0.400 1 757 74 74 LYS CA C 54.725 0.400 1 758 74 74 LYS CB C 33.942 0.400 1 759 74 74 LYS CG C 25.497 0.400 1 760 74 74 LYS CD C 29.394 0.400 1 761 74 74 LYS CE C 41.690 0.400 1 762 74 74 LYS N N 119.717 0.400 1 763 75 75 LEU H H 9.574 0.020 1 764 75 75 LEU HA H 5.272 0.020 1 765 75 75 LEU HB2 H 1.649 0.020 2 766 75 75 LEU HB3 H 1.246 0.020 2 767 75 75 LEU HG H 1.525 0.020 1 768 75 75 LEU HD1 H 0.614 0.020 2 769 75 75 LEU HD2 H 0.814 0.020 2 770 75 75 LEU C C 176.418 0.400 1 771 75 75 LEU CA C 53.268 0.400 1 772 75 75 LEU CB C 43.546 0.400 1 773 75 75 LEU CG C 28.110 0.400 1 774 75 75 LEU CD1 C 25.598 0.400 2 775 75 75 LEU N N 125.450 0.400 1 776 76 76 VAL H H 9.124 0.020 1 777 76 76 VAL HA H 4.704 0.020 1 778 76 76 VAL HB H 2.038 0.020 1 779 76 76 VAL HG1 H 0.752 0.020 2 780 76 76 VAL HG2 H 0.880 0.020 2 781 76 76 VAL C C 177.045 0.400 1 782 76 76 VAL CA C 62.353 0.400 1 783 76 76 VAL CB C 32.334 0.400 1 784 76 76 VAL CG1 C 20.883 0.400 2 785 76 76 VAL CG2 C 19.873 0.400 2 786 76 76 VAL N N 126.441 0.400 1 787 77 77 CYS H H 9.649 0.020 1 788 77 77 CYS HA H 4.996 0.020 1 789 77 77 CYS HB2 H 3.145 0.020 2 790 77 77 CYS HB3 H 2.653 0.020 2 791 77 77 CYS C C 173.221 0.400 1 792 77 77 CYS CA C 57.753 0.400 1 793 77 77 CYS CB C 29.787 0.400 1 794 77 77 CYS N N 126.617 0.400 1 795 78 78 SER H H 8.649 0.020 1 796 78 78 SER HA H 4.658 0.020 1 797 78 78 SER HB2 H 4.206 0.020 2 798 78 78 SER HB3 H 4.008 0.020 2 799 78 78 SER C C 172.804 0.400 1 800 78 78 SER CA C 58.055 0.400 1 801 78 78 SER CB C 62.088 0.400 1 802 78 78 SER N N 120.981 0.400 1 803 79 79 PRO HA H 4.387 0.020 1 804 79 79 PRO HB2 H 1.973 0.020 2 805 79 79 PRO HB3 H 1.973 0.020 2 806 79 79 PRO HG2 H 1.908 0.020 2 807 79 79 PRO HG3 H 1.558 0.020 2 808 79 79 PRO HD2 H 3.732 0.020 2 809 79 79 PRO HD3 H 3.732 0.020 2 810 79 79 PRO C C 179.963 0.400 1 811 79 79 PRO CA C 66.459 0.400 1 812 79 79 PRO CB C 31.261 0.400 1 813 79 79 PRO CG C 27.784 0.400 1 814 79 79 PRO CD C 49.749 0.400 1 815 80 80 ASP H H 8.806 0.020 1 816 80 80 ASP HA H 4.361 0.020 1 817 80 80 ASP HB2 H 2.605 0.020 2 818 80 80 ASP HB3 H 2.531 0.020 2 819 80 80 ASP C C 176.421 0.400 1 820 80 80 ASP CA C 56.142 0.400 1 821 80 80 ASP CB C 39.358 0.400 1 822 80 80 ASP N N 115.842 0.400 1 823 81 81 TYR H H 8.176 0.020 1 824 81 81 TYR HA H 4.338 0.020 1 825 81 81 TYR HB2 H 2.860 0.020 2 826 81 81 TYR HB3 H 2.860 0.020 2 827 81 81 TYR HD1 H 6.686 0.020 3 828 81 81 TYR HD2 H 6.686 0.020 3 829 81 81 TYR C C 173.349 0.400 1 830 81 81 TYR CA C 57.877 0.400 1 831 81 81 TYR CB C 38.114 0.400 1 832 81 81 TYR CD2 C 131.656 0.400 3 833 81 81 TYR N N 122.100 0.400 1 834 82 82 ALA H H 7.762 0.020 1 835 82 82 ALA HA H 4.376 0.020 1 836 82 82 ALA HB H 1.372 0.020 1 837 82 82 ALA C C 175.937 0.400 1 838 82 82 ALA CA C 52.187 0.400 1 839 82 82 ALA CB C 18.889 0.400 1 840 82 82 ALA N N 125.509 0.400 1 841 83 83 TYR H H 9.456 0.020 1 842 83 83 TYR HA H 4.533 0.020 1 843 83 83 TYR HB2 H 3.166 0.020 2 844 83 83 TYR HB3 H 2.621 0.020 2 845 83 83 TYR HD1 H 7.008 0.020 3 846 83 83 TYR HD2 H 7.008 0.020 3 847 83 83 TYR HE1 H 6.462 0.020 3 848 83 83 TYR HE2 H 6.462 0.020 3 849 83 83 TYR C C 176.565 0.400 1 850 83 83 TYR CA C 59.098 0.400 1 851 83 83 TYR CB C 38.043 0.400 1 852 83 83 TYR CD2 C 133.197 0.400 3 853 83 83 TYR CE2 C 117.903 0.400 3 854 83 83 TYR N N 122.420 0.400 1 855 84 84 GLY H H 8.547 0.020 1 856 84 84 GLY HA2 H 4.000 0.020 2 857 84 84 GLY HA3 H 3.665 0.020 2 858 84 84 GLY C C 175.473 0.400 1 859 84 84 GLY CA C 46.650 0.400 1 860 84 84 GLY N N 108.224 0.400 1 861 85 85 SER HA H 4.160 0.020 1 862 85 85 SER HB2 H 3.915 0.020 2 863 85 85 SER HB3 H 3.865 0.020 2 864 85 85 SER C C 176.922 0.400 1 865 85 85 SER CA C 60.148 0.400 1 866 85 85 SER CB C 62.896 0.400 1 867 86 86 ARG H H 8.271 0.020 1 868 86 86 ARG HA H 4.182 0.020 1 869 86 86 ARG HB2 H 1.920 0.020 2 870 86 86 ARG HB3 H 1.920 0.020 2 871 86 86 ARG HG2 H 1.693 0.020 2 872 86 86 ARG HG3 H 1.651 0.020 2 873 86 86 ARG HD2 H 3.189 0.020 2 874 86 86 ARG HD3 H 3.189 0.020 2 875 86 86 ARG C C 179.197 0.400 1 876 86 86 ARG CA C 57.775 0.400 1 877 86 86 ARG CB C 31.076 0.400 1 878 86 86 ARG CG C 27.498 0.400 1 879 86 86 ARG CD C 43.168 0.400 1 880 86 86 ARG N N 120.244 0.400 1 881 87 87 GLY H H 7.310 0.020 1 882 87 87 GLY HA2 H 3.627 0.020 2 883 87 87 GLY HA3 H 3.402 0.020 2 884 87 87 GLY C C 171.392 0.400 1 885 87 87 GLY CA C 44.843 0.400 1 886 87 87 GLY N N 103.692 0.400 1 887 88 88 HIS H H 8.710 0.020 1 888 88 88 HIS HA H 5.031 0.020 1 889 88 88 HIS HB2 H 2.468 0.020 2 890 88 88 HIS HB3 H 1.880 0.020 2 891 88 88 HIS HD2 H 6.421 0.020 1 892 88 88 HIS C C 172.580 0.400 1 893 88 88 HIS CA C 52.993 0.400 1 894 88 88 HIS CB C 32.780 0.400 1 895 88 88 HIS N N 121.475 0.400 1 896 89 89 PRO HA H 4.089 0.020 1 897 89 89 PRO HB2 H 1.807 0.020 2 898 89 89 PRO HB3 H 2.149 0.020 2 899 89 89 PRO HG2 H 1.931 0.020 2 900 89 89 PRO HG3 H 1.855 0.020 2 901 89 89 PRO HD2 H 3.515 0.020 2 902 89 89 PRO HD3 H 3.298 0.020 2 903 89 89 PRO CA C 65.056 0.400 1 904 89 89 PRO CB C 31.815 0.400 1 905 89 89 PRO CG C 26.940 0.400 1 906 89 89 PRO CD C 51.217 0.400 1 907 90 90 GLY HA2 H 4.166 0.020 2 908 90 90 GLY HA3 H 3.548 0.020 2 909 90 90 GLY C C 174.040 0.400 1 910 90 90 GLY CA C 45.182 0.400 1 911 91 91 VAL H H 8.206 0.020 1 912 91 91 VAL HA H 4.118 0.020 1 913 91 91 VAL HB H 1.557 0.020 1 914 91 91 VAL HG1 H 0.894 0.020 2 915 91 91 VAL HG2 H 0.715 0.020 2 916 91 91 VAL C C 174.478 0.400 1 917 91 91 VAL CA C 64.294 0.400 1 918 91 91 VAL CB C 35.916 0.400 1 919 91 91 VAL CG1 C 21.373 0.400 2 920 91 91 VAL CG2 C 20.795 0.400 2 921 91 91 VAL N N 119.243 0.400 1 922 92 92 ILE H H 8.366 0.020 1 923 92 92 ILE HA H 4.466 0.020 1 924 92 92 ILE HB H 1.291 0.020 1 925 92 92 ILE HG12 H 0.711 0.020 2 926 92 92 ILE HG13 H 0.387 0.020 2 927 92 92 ILE HG2 H 0.831 0.020 1 928 92 92 ILE HD1 H -0.215 0.020 1 929 92 92 ILE C C 174.440 0.400 1 930 92 92 ILE CA C 56.215 0.400 1 931 92 92 ILE CB C 40.820 0.400 1 932 92 92 ILE CG1 C 26.151 0.400 1 933 92 92 ILE CG2 C 17.787 0.400 1 934 92 92 ILE CD1 C 11.610 0.400 1 935 92 92 ILE N N 119.119 0.400 1 936 93 93 PRO HA H 4.676 0.020 1 937 93 93 PRO HB2 H 1.861 0.020 2 938 93 93 PRO HB3 H 2.343 0.020 2 939 93 93 PRO HG2 H 1.933 0.020 2 940 93 93 PRO HG3 H 1.877 0.020 2 941 93 93 PRO HD2 H 3.725 0.020 2 942 93 93 PRO HD3 H 3.301 0.020 2 943 93 93 PRO CA C 62.002 0.400 1 944 93 93 PRO CB C 31.192 0.400 1 945 93 93 PRO CG C 26.885 0.400 1 946 93 93 PRO CD C 51.766 0.400 1 947 94 94 PRO HA H 3.691 0.020 1 948 94 94 PRO HB2 H 1.655 0.020 2 949 94 94 PRO HB3 H 2.480 0.020 2 950 94 94 PRO HG2 H 1.987 0.020 2 951 94 94 PRO HG3 H 1.740 0.020 2 952 94 94 PRO HD2 H 3.730 0.020 2 953 94 94 PRO HD3 H 3.441 0.020 2 954 94 94 PRO C C 176.019 0.400 1 955 94 94 PRO CA C 63.639 0.400 1 956 94 94 PRO CB C 33.189 0.400 1 957 94 94 PRO CG C 28.115 0.400 1 958 94 94 PRO CD C 50.893 0.400 1 959 95 95 ASN H H 8.160 0.020 1 960 95 95 ASN HA H 3.885 0.020 1 961 95 95 ASN HB2 H 2.886 0.020 2 962 95 95 ASN HB3 H 2.693 0.020 2 963 95 95 ASN HD21 H 6.881 0.020 2 964 95 95 ASN HD22 H 7.567 0.020 2 965 95 95 ASN C C 173.385 0.400 1 966 95 95 ASN CA C 54.406 0.400 1 967 95 95 ASN CB C 37.300 0.400 1 968 95 95 ASN N N 116.901 0.400 1 969 95 95 ASN ND2 N 114.362 0.400 1 970 96 96 ALA H H 7.767 0.020 1 971 96 96 ALA HA H 4.340 0.020 1 972 96 96 ALA HB H 1.172 0.020 1 973 96 96 ALA C C 177.043 0.400 1 974 96 96 ALA CA C 52.634 0.400 1 975 96 96 ALA CB C 20.669 0.400 1 976 96 96 ALA N N 121.349 0.400 1 977 97 97 THR H H 8.451 0.020 1 978 97 97 THR HA H 4.594 0.020 1 979 97 97 THR HB H 3.924 0.020 1 980 97 97 THR HG2 H 0.945 0.020 1 981 97 97 THR C C 175.012 0.400 1 982 97 97 THR CA C 63.269 0.400 1 983 97 97 THR CB C 69.280 0.400 1 984 97 97 THR CG2 C 20.737 0.400 1 985 97 97 THR N N 121.606 0.400 1 986 98 98 LEU H H 8.568 0.020 1 987 98 98 LEU HA H 4.839 0.020 1 988 98 98 LEU HB2 H 1.673 0.020 2 989 98 98 LEU HB3 H 1.220 0.020 2 990 98 98 LEU HD1 H 1.093 0.020 2 991 98 98 LEU HD2 H 0.623 0.020 2 992 98 98 LEU C C 175.060 0.400 1 993 98 98 LEU CA C 53.303 0.400 1 994 98 98 LEU CB C 45.999 0.400 1 995 98 98 LEU CD1 C 26.956 0.400 2 996 98 98 LEU CD2 C 23.685 0.400 2 997 98 98 LEU N N 128.165 0.400 1 998 99 99 THR H H 8.275 0.020 1 999 99 99 THR HA H 5.217 0.020 1 1000 99 99 THR HB H 3.886 0.020 1 1001 99 99 THR HG2 H 1.035 0.020 1 1002 99 99 THR C C 173.189 0.400 1 1003 99 99 THR CA C 61.960 0.400 1 1004 99 99 THR CB C 69.970 0.400 1 1005 99 99 THR CG2 C 21.477 0.400 1 1006 99 99 THR N N 117.629 0.400 1 1007 100 100 PHE H H 9.451 0.020 1 1008 100 100 PHE HA H 5.602 0.020 1 1009 100 100 PHE HB2 H 2.843 0.020 2 1010 100 100 PHE HB3 H 2.703 0.020 2 1011 100 100 PHE HD1 H 7.234 0.020 3 1012 100 100 PHE HD2 H 7.234 0.020 3 1013 100 100 PHE HE1 H 7.429 0.020 3 1014 100 100 PHE HE2 H 7.429 0.020 3 1015 100 100 PHE C C 173.902 0.400 1 1016 100 100 PHE CA C 55.638 0.400 1 1017 100 100 PHE CB C 42.687 0.400 1 1018 100 100 PHE N N 123.058 0.400 1 1019 101 101 ASP H H 8.813 0.020 1 1020 101 101 ASP HA H 5.063 0.020 1 1021 101 101 ASP HB2 H 2.794 0.020 2 1022 101 101 ASP HB3 H 2.464 0.020 2 1023 101 101 ASP C C 176.641 0.400 1 1024 101 101 ASP CA C 53.325 0.400 1 1025 101 101 ASP CB C 41.970 0.400 1 1026 101 101 ASP N N 125.593 0.400 1 1027 102 102 VAL H H 9.562 0.020 1 1028 102 102 VAL HA H 5.001 0.020 1 1029 102 102 VAL HB H 1.723 0.020 1 1030 102 102 VAL HG1 H 0.579 0.020 2 1031 102 102 VAL HG2 H 0.607 0.020 2 1032 102 102 VAL C C 172.994 0.400 1 1033 102 102 VAL CA C 61.143 0.400 1 1034 102 102 VAL CB C 35.199 0.400 1 1035 102 102 VAL CG1 C 22.515 0.400 2 1036 102 102 VAL CG2 C 21.102 0.400 2 1037 102 102 VAL N N 127.441 0.400 1 1038 103 103 GLU H H 9.073 0.020 1 1039 103 103 GLU HA H 5.294 0.020 1 1040 103 103 GLU HB2 H 1.948 0.020 2 1041 103 103 GLU HB3 H 1.597 0.020 2 1042 103 103 GLU HG2 H 1.953 0.020 2 1043 103 103 GLU HG3 H 1.840 0.020 2 1044 103 103 GLU C C 175.255 0.400 1 1045 103 103 GLU CA C 53.860 0.400 1 1046 103 103 GLU CB C 33.796 0.400 1 1047 103 103 GLU CG C 36.066 0.400 1 1048 103 103 GLU N N 127.690 0.400 1 1049 104 104 LEU H H 8.392 0.020 1 1050 104 104 LEU HA H 4.649 0.020 1 1051 104 104 LEU HB2 H 2.190 0.020 2 1052 104 104 LEU HB3 H 0.965 0.020 2 1053 104 104 LEU HG H 1.191 0.020 1 1054 104 104 LEU HD1 H 0.514 0.020 2 1055 104 104 LEU HD2 H 0.753 0.020 2 1056 104 104 LEU C C 174.583 0.400 1 1057 104 104 LEU CA C 54.245 0.400 1 1058 104 104 LEU CB C 41.304 0.400 1 1059 104 104 LEU CG C 28.644 0.400 1 1060 104 104 LEU CD1 C 26.669 0.400 2 1061 104 104 LEU CD2 C 23.993 0.400 2 1062 104 104 LEU N N 127.496 0.400 1 1063 105 105 LEU H H 9.122 0.020 1 1064 105 105 LEU HA H 4.190 0.020 1 1065 105 105 LEU HB2 H 1.629 0.020 2 1066 105 105 LEU HB3 H 1.404 0.020 2 1067 105 105 LEU HG H 1.668 0.020 1 1068 105 105 LEU HD1 H 0.652 0.020 2 1069 105 105 LEU HD2 H 0.749 0.020 2 1070 105 105 LEU C C 177.789 0.400 1 1071 105 105 LEU CA C 57.198 0.400 1 1072 105 105 LEU CB C 42.676 0.400 1 1073 105 105 LEU CG C 27.918 0.400 1 1074 105 105 LEU CD1 C 26.156 0.400 2 1075 105 105 LEU CD2 C 22.695 0.400 2 1076 105 105 LEU N N 129.426 0.400 1 1077 106 106 ARG H H 7.540 0.020 1 1078 106 106 ARG HA H 4.344 0.020 1 1079 106 106 ARG HB2 H 1.758 0.020 2 1080 106 106 ARG HB3 H 1.624 0.020 2 1081 106 106 ARG HG2 H 1.302 0.020 2 1082 106 106 ARG HG3 H 1.302 0.020 2 1083 106 106 ARG HD2 H 3.070 0.020 2 1084 106 106 ARG HD3 H 3.070 0.020 2 1085 106 106 ARG C C 172.331 0.400 1 1086 106 106 ARG CA C 55.556 0.400 1 1087 106 106 ARG CB C 33.157 0.400 1 1088 106 106 ARG CG C 26.988 0.400 1 1089 106 106 ARG CD C 43.413 0.400 1 1090 106 106 ARG N N 111.747 0.400 1 1091 107 107 VAL H H 8.075 0.020 1 1092 107 107 VAL HA H 4.839 0.020 1 1093 107 107 VAL HB H 1.608 0.020 1 1094 107 107 VAL HG1 H 0.698 0.020 2 1095 107 107 VAL HG2 H 0.565 0.020 2 1096 107 107 VAL C C 175.030 0.400 1 1097 107 107 VAL CA C 60.719 0.400 1 1098 107 107 VAL CB C 34.091 0.400 1 1099 107 107 VAL CG1 C 21.748 0.400 2 1100 107 107 VAL CG2 C 22.243 0.400 2 1101 107 107 VAL N N 119.614 0.400 1 1102 108 108 GLU H H 9.225 0.020 1 1103 108 108 GLU HA H 4.236 0.020 1 1104 108 108 GLU HB2 H 1.930 0.020 2 1105 108 108 GLU HB3 H 1.664 0.020 2 1106 108 108 GLU HG2 H 1.994 0.020 2 1107 108 108 GLU HG3 H 1.843 0.020 2 1108 108 108 GLU C C 180.482 0.400 1 1109 108 108 GLU CA C 56.852 0.400 1 1110 108 108 GLU CB C 32.280 0.400 1 1111 108 108 GLU CG C 36.691 0.400 1 1112 108 108 GLU N N 131.741 0.400 1 stop_ save_