data_17278 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of actin depolymerizing and dynamics regulatory protein from toxoplasma gondii ; _BMRB_accession_number 17278 _BMRB_flat_file_name bmr17278.str _Entry_type original _Submission_date 2010-11-03 _Accession_date 2010-11-03 _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 Shukla 'Vaibhav Kumar' . . 2 Pathak 'Prem Prakash' . . 3 Yadav Rahul . . 4 Srivastava Shubhra . . 5 Jain Anupam . . 6 Pulavarti 'S.V.S.R. Krishna' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 601 "13C chemical shifts" 478 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-15 original author . stop_ _Original_release_date 2010-11-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of actin depolymerizing and dynamics regulatory protein from Toxoplasma gondii' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shukla 'Vaibhav Kumar' . . 2 Pathak 'Prem Prakash' . . 3 Yadav Rahul . . 4 Srivastava Shubhra . . 5 Jain Anupam . . 6 Pulavarti 'S.V.S.R. Krishna' . . 7 Arora Ashish . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TgADF Monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Monomer $TgADF 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_TgADF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TgADF _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; MASGMGVDENCVARFNELKI RKTVKWIVFKIENTKIVVEK DGKGNADEFRGALPANDCRF GVYDCGNKIQFVLWCPDNAP VKPRMTYASSKDALLKKLDG ATAVALEAHEMGDLAPLA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 GLY 5 MET 6 GLY 7 VAL 8 ASP 9 GLU 10 ASN 11 CYS 12 VAL 13 ALA 14 ARG 15 PHE 16 ASN 17 GLU 18 LEU 19 LYS 20 ILE 21 ARG 22 LYS 23 THR 24 VAL 25 LYS 26 TRP 27 ILE 28 VAL 29 PHE 30 LYS 31 ILE 32 GLU 33 ASN 34 THR 35 LYS 36 ILE 37 VAL 38 VAL 39 GLU 40 LYS 41 ASP 42 GLY 43 LYS 44 GLY 45 ASN 46 ALA 47 ASP 48 GLU 49 PHE 50 ARG 51 GLY 52 ALA 53 LEU 54 PRO 55 ALA 56 ASN 57 ASP 58 CYS 59 ARG 60 PHE 61 GLY 62 VAL 63 TYR 64 ASP 65 CYS 66 GLY 67 ASN 68 LYS 69 ILE 70 GLN 71 PHE 72 VAL 73 LEU 74 TRP 75 CYS 76 PRO 77 ASP 78 ASN 79 ALA 80 PRO 81 VAL 82 LYS 83 PRO 84 ARG 85 MET 86 THR 87 TYR 88 ALA 89 SER 90 SER 91 LYS 92 ASP 93 ALA 94 LEU 95 LEU 96 LYS 97 LYS 98 LEU 99 ASP 100 GLY 101 ALA 102 THR 103 ALA 104 VAL 105 ALA 106 LEU 107 GLU 108 ALA 109 HIS 110 GLU 111 MET 112 GLY 113 ASP 114 LEU 115 ALA 116 PRO 117 LEU 118 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2L72 "Solution Structure And Dynamics Of Adf From Toxoplasma Gondii (Tgadf)" 100.00 139 100.00 100.00 2.25e-81 PDB 2MOT "Backbone Structure Of Actin Depolymerizing Factor (adf) Of Toxoplasma Gondii Based On Prot3dnmr Approach" 100.00 118 100.00 100.00 2.08e-80 GB AAC47717 "actin depolymerizing factor [Toxoplasma gondii]" 100.00 118 98.31 99.15 5.44e-79 GB EPR57074 "actin depolymerizing factor ADF [Toxoplasma gondii GT1]" 100.00 118 100.00 100.00 2.08e-80 GB EPT31140 "actin depolymerizing factor ADF [Toxoplasma gondii ME49]" 100.00 118 99.15 99.15 2.43e-79 GB ESS28466 "actin depolymerizing factor ADF [Toxoplasma gondii VEG]" 100.00 118 100.00 100.00 2.08e-80 GB KFG28323 "actin depolymerizing factor ADF [Toxoplasma gondii p89]" 100.00 118 100.00 100.00 2.08e-80 REF XP_002371565 "actin depolymerizing factor [Toxoplasma gondii ME49]" 100.00 118 99.15 99.15 2.43e-79 TPE CEL72722 "TPA: actin depolymerizing factor [Toxoplasma gondii VEG]" 100.00 118 100.00 100.00 2.08e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TgADF 'Toxoplasma gondii' 5811 Eukaryota . Toxoplasma gondii 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 $TgADF 'recombinant technology' . Escherichia coli 'BL21 (LAMBDA DE3)' pET16b+ 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 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' DTT 1 mM 'natural abundance' 'AEBSF protease inhibitor' 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' TgADF 0.8 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ 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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_HBCB(CGCD)HD_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBCB(CGCD)HD _Sample_label $sample_1 save_ save_HBCB(CGCDCE)HE_13 _Saveframe_category NMR_applied_experiment _Experiment_name HBCB(CGCDCE)HE _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . 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_ _Software_label $NMRPipe $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC' HBCB(CGCD)HD HBCB(CGCDCE)HE 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 Monomer _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.211 0.020 1 2 1 1 MET HA H 4.384 0.020 1 3 1 1 MET HB2 H 1.995 0.020 1 4 1 1 MET HB3 H 1.995 0.020 1 5 1 1 MET HG2 H 2.444 0.020 1 6 1 1 MET HG3 H 2.444 0.020 1 7 1 1 MET C C 175.945 0.3 1 8 1 1 MET CA C 55.489 0.3 1 9 1 1 MET CB C 32.848 0.3 1 10 1 1 MET CG C 31.917 0.3 1 11 1 1 MET N N 121.961 0.3 1 12 2 2 ALA H H 8.343 0.020 1 13 2 2 ALA HA H 4.293 0.020 1 14 2 2 ALA HB H 1.383 0.020 1 15 2 2 ALA C C 177.752 0.3 1 16 2 2 ALA CA C 52.738 0.3 1 17 2 2 ALA CB C 19.288 0.3 1 18 2 2 ALA N N 125.335 0.3 1 19 3 3 SER H H 8.226 0.020 1 20 3 3 SER HA H 4.384 0.020 1 21 3 3 SER HB2 H 3.860 0.020 1 22 3 3 SER HB3 H 3.860 0.020 1 23 3 3 SER C C 174.977 0.3 1 24 3 3 SER CA C 58.777 0.3 1 25 3 3 SER CB C 63.934 0.3 1 26 3 3 SER N N 114.932 0.3 1 27 4 4 GLY H H 8.289 0.020 1 28 4 4 GLY HA2 H 3.909 0.020 1 29 4 4 GLY HA3 H 3.909 0.020 1 30 4 4 GLY C C 173.449 0.3 1 31 4 4 GLY CA C 45.139 0.3 1 32 4 4 GLY N N 110.640 0.3 1 33 5 5 MET H H 7.976 0.020 1 34 5 5 MET HA H 4.569 0.020 1 35 5 5 MET HB2 H 2.474 0.020 2 36 5 5 MET HB3 H 2.470 0.020 2 37 5 5 MET HG2 H 1.912 0.020 2 38 5 5 MET HG3 H 1.750 0.020 2 39 5 5 MET C C 175.945 0.3 1 40 5 5 MET CA C 54.502 0.3 1 41 5 5 MET CB C 31.908 0.3 1 42 5 5 MET CG C 31.886 0.3 1 43 5 5 MET N N 120.694 0.3 1 44 6 6 GLY H H 8.406 0.020 1 45 6 6 GLY HA2 H 4.245 0.020 2 46 6 6 GLY HA3 H 3.755 0.020 2 47 6 6 GLY C C 172.499 0.3 1 48 6 6 GLY CA C 44.596 0.3 1 49 6 6 GLY N N 112.679 0.3 1 50 7 7 VAL H H 8.479 0.020 1 51 7 7 VAL HA H 4.255 0.020 1 52 7 7 VAL HB H 1.799 0.020 1 53 7 7 VAL HG1 H 0.673 0.020 1 54 7 7 VAL HG2 H 0.671 0.020 1 55 7 7 VAL C C 175.610 0.3 1 56 7 7 VAL CA C 61.762 0.3 1 57 7 7 VAL CB C 34.351 0.3 1 58 7 7 VAL CG1 C 21.061 0.3 1 59 7 7 VAL CG2 C 21.061 0.3 1 60 7 7 VAL N N 120.694 0.3 1 61 8 8 ASP H H 9.011 0.020 1 62 8 8 ASP HA H 4.495 0.020 1 63 8 8 ASP HB2 H 3.117 0.020 2 64 8 8 ASP HB3 H 2.787 0.020 2 65 8 8 ASP C C 178.106 0.3 1 66 8 8 ASP CA C 55.520 0.3 1 67 8 8 ASP CB C 44.664 0.3 1 68 8 8 ASP N N 128.850 0.3 1 69 9 9 GLU H H 9.371 0.020 1 70 9 9 GLU HA H 4.094 0.020 1 71 9 9 GLU HB2 H 2.127 0.020 1 72 9 9 GLU HB3 H 2.127 0.020 1 73 9 9 GLU HG2 H 2.366 0.020 2 74 9 9 GLU HG3 H 2.375 0.020 2 75 9 9 GLU C C 178.739 0.3 1 76 9 9 GLU CA C 59.727 0.3 1 77 9 9 GLU CB C 29.194 0.3 1 78 9 9 GLU CG C 36.063 0.3 1 79 9 9 GLU N N 128.147 0.3 1 80 10 10 ASN H H 9.218 0.020 1 81 10 10 ASN HA H 4.562 0.020 1 82 10 10 ASN HB2 H 2.995 0.020 2 83 10 10 ASN HB3 H 2.817 0.020 2 84 10 10 ASN HD21 H 7.039 0.020 1 85 10 10 ASN HD22 H 7.795 0.020 1 86 10 10 ASN C C 177.547 0.3 1 87 10 10 ASN CA C 56.343 0.3 1 88 10 10 ASN CB C 38.829 0.3 1 89 10 10 ASN N N 118.796 0.3 1 90 10 10 ASN ND2 N 113.171 0.3 1 91 11 11 CYS H H 8.472 0.020 1 92 11 11 CYS HA H 4.091 0.020 1 93 11 11 CYS HB2 H 2.988 0.020 2 94 11 11 CYS HB3 H 2.497 0.020 2 95 11 11 CYS C C 176.262 0.3 1 96 11 11 CYS CA C 65.267 0.3 1 97 11 11 CYS CB C 27.362 0.3 1 98 11 11 CYS N N 116.475 0.3 1 99 12 12 VAL H H 6.910 0.020 1 100 12 12 VAL HA H 3.487 0.020 1 101 12 12 VAL HB H 2.246 0.020 1 102 12 12 VAL HG1 H 1.054 0.020 1 103 12 12 VAL HG2 H 0.918 0.020 1 104 12 12 VAL C C 177.510 0.3 1 105 12 12 VAL CA C 65.698 0.3 1 106 12 12 VAL CB C 32.179 0.3 1 107 12 12 VAL CG1 C 22.267 0.3 1 108 12 12 VAL CG2 C 21.362 0.3 1 109 12 12 VAL N N 117.741 0.3 1 110 13 13 ALA H H 7.757 0.020 1 111 13 13 ALA HA H 4.226 0.020 1 112 13 13 ALA HB H 1.559 0.020 1 113 13 13 ALA C C 181.403 0.3 1 114 13 13 ALA CA C 55.588 0.3 1 115 13 13 ALA CB C 18.338 0.3 1 116 13 13 ALA N N 122.171 0.3 1 117 14 14 ARG H H 8.539 0.020 1 118 14 14 ARG HA H 4.063 0.020 1 119 14 14 ARG HB2 H 1.926 0.020 1 120 14 14 ARG HB3 H 1.926 0.020 1 121 14 14 ARG HD2 H 3.209 0.020 2 122 14 14 ARG HD3 H 3.209 0.020 2 123 14 14 ARG HG2 H 1.509 0.020 2 124 14 14 ARG HG3 H 1.508 0.020 2 125 14 14 ARG C C 178.404 0.3 1 126 14 14 ARG CA C 56.877 0.3 1 127 14 14 ARG CB C 28.448 0.3 1 128 14 14 ARG CD C 45.110 0.3 1 129 14 14 ARG CG C 25.584 0.3 1 130 14 14 ARG N N 117.038 0.3 1 131 15 15 PHE H H 7.996 0.020 1 132 15 15 PHE HA H 4.012 0.020 1 133 15 15 PHE HB2 H 3.249 0.020 1 134 15 15 PHE HB3 H 3.249 0.020 1 135 15 15 PHE HD1 H 7.068 0.020 3 136 15 15 PHE HD2 H 7.232 0.020 3 137 15 15 PHE HE1 H 7.232 0.020 3 138 15 15 PHE HE2 H 7.068 0.020 3 139 15 15 PHE C C 176.522 0.3 1 140 15 15 PHE CA C 62.102 0.3 1 141 15 15 PHE CB C 39.982 0.3 1 142 15 15 PHE CD1 C 127.958 0.3 1 143 15 15 PHE CD2 C 130.394 0.3 1 144 15 15 PHE CE1 C 130.394 0.3 1 145 15 15 PHE CE2 C 127.958 0.3 1 146 15 15 PHE N N 119.710 0.3 1 147 16 16 ASN H H 8.800 0.020 1 148 16 16 ASN HA H 4.386 0.020 1 149 16 16 ASN HB2 H 2.923 0.020 2 150 16 16 ASN HB3 H 2.708 0.020 2 151 16 16 ASN HD21 H 7.527 0.020 1 152 16 16 ASN HD22 H 6.918 0.020 1 153 16 16 ASN C C 178.143 0.3 1 154 16 16 ASN CA C 56.131 0.3 1 155 16 16 ASN CB C 37.607 0.3 1 156 16 16 ASN N N 118.725 0.3 1 157 16 16 ASN ND2 N 110.499 0.3 1 158 17 17 GLU H H 7.649 0.020 1 159 17 17 GLU HA H 3.787 0.020 1 160 17 17 GLU HB2 H 2.110 0.020 1 161 17 17 GLU HB3 H 2.110 0.020 1 162 17 17 GLU HG2 H 2.246 0.020 1 163 17 17 GLU HG3 H 2.246 0.020 1 164 17 17 GLU C C 178.068 0.3 1 165 17 17 GLU CA C 59.950 0.3 1 166 17 17 GLU CB C 28.523 0.3 1 167 17 17 GLU CG C 35.988 0.3 1 168 17 17 GLU N N 121.374 0.3 1 169 18 18 LEU H H 7.308 0.020 1 170 18 18 LEU HA H 4.054 0.020 1 171 18 18 LEU HB2 H 1.764 0.020 2 172 18 18 LEU HB3 H 1.295 0.020 2 173 18 18 LEU HD1 H 0.548 0.020 1 174 18 18 LEU HD2 H 0.459 0.020 1 175 18 18 LEU HG H 1.295 0.020 1 176 18 18 LEU C C 177.789 0.3 1 177 18 18 LEU CA C 59.071 0.3 1 178 18 18 LEU CB C 42.622 0.3 1 179 18 18 LEU CD1 C 25.584 0.3 1 180 18 18 LEU CD2 C 25.584 0.3 1 181 18 18 LEU CG C 29.806 0.3 1 182 18 18 LEU N N 121.708 0.3 1 183 19 19 LYS H H 8.490 0.020 1 184 19 19 LYS C C 177.156 0.3 1 185 19 19 LYS CA C 59.523 0.3 1 186 19 19 LYS CB C 33.401 0.3 1 187 19 19 LYS N N 118.136 0.3 1 188 20 20 ILE HA H 4.358 0.020 1 189 20 20 ILE HB H 1.916 0.020 1 190 20 20 ILE HD1 H 0.331 0.020 1 191 20 20 ILE HG12 H 1.559 0.020 1 192 20 20 ILE HG13 H 1.559 0.020 1 193 20 20 ILE HG2 H 0.820 0.020 1 194 20 20 ILE C C 177.212 0.3 1 195 20 20 ILE CA C 62.441 0.3 1 196 20 20 ILE CB C 38.442 0.3 1 197 20 20 ILE CD1 C 14.879 0.3 1 198 20 20 ILE CG1 C 27.921 0.3 1 199 20 20 ILE CG2 C 17.140 0.3 1 200 21 21 ARG H H 7.221 0.020 1 201 21 21 ARG HA H 4.279 0.020 1 202 21 21 ARG HB2 H 1.982 0.020 1 203 21 21 ARG HB3 H 1.982 0.020 1 204 21 21 ARG HD2 H 3.179 0.020 2 205 21 21 ARG HD3 H 3.174 0.020 2 206 21 21 ARG HG2 H 1.612 0.020 1 207 21 21 ARG HG3 H 1.612 0.020 1 208 21 21 ARG C C 176.243 0.3 1 209 21 21 ARG CA C 57.013 0.3 1 210 21 21 ARG CB C 31.365 0.3 1 211 21 21 ARG CD C 42.999 0.3 1 212 21 21 ARG CG C 28.223 0.3 1 213 21 21 ARG N N 116.374 0.3 1 214 22 22 LYS H H 7.653 0.020 1 215 22 22 LYS C C 176.746 0.3 1 216 22 22 LYS CA C 57.081 0.3 1 217 22 22 LYS CB C 28.176 0.3 1 218 22 22 LYS N N 113.934 0.3 1 219 24 24 VAL HA H 3.804 0.020 1 220 24 24 VAL HB H 1.599 0.020 1 221 24 24 VAL HG1 H 0.556 0.020 1 222 24 24 VAL HG2 H 0.556 0.020 1 223 24 24 VAL C C 173.450 0.3 1 224 24 24 VAL CA C 60.473 0.3 1 225 24 24 VAL CB C 35.368 0.3 1 226 24 24 VAL CG1 C 22.568 0.3 1 227 24 24 VAL CG2 C 19.779 0.3 1 228 25 25 LYS H H 8.933 0.020 1 229 25 25 LYS HA H 4.310 0.020 1 230 25 25 LYS HB2 H 1.902 0.020 2 231 25 25 LYS HB3 H 1.652 0.020 2 232 25 25 LYS HD2 H 1.876 0.020 2 233 25 25 LYS HD3 H 1.889 0.020 2 234 25 25 LYS HE2 H 2.975 0.020 2 235 25 25 LYS HE3 H 2.964 0.020 2 236 25 25 LYS HG2 H 1.282 0.020 1 237 25 25 LYS HG3 H 1.282 0.020 1 238 25 25 LYS C C 173.711 0.3 1 239 25 25 LYS CA C 56.117 0.3 1 240 25 25 LYS CB C 35.837 0.3 1 241 25 25 LYS CD C 28.373 0.3 1 242 25 25 LYS CE C 42.471 0.3 1 243 25 25 LYS CG C 25.207 0.3 1 244 25 25 LYS N N 124.069 0.3 1 245 26 26 TRP H H 7.394 0.020 1 246 26 26 TRP HA H 5.057 0.020 1 247 26 26 TRP HB2 H 3.526 0.020 2 248 26 26 TRP HB3 H 3.249 0.020 2 249 26 26 TRP HD1 H 6.704 0.020 1 250 26 26 TRP C C 174.027 0.3 1 251 26 26 TRP CA C 54.435 0.3 1 252 26 26 TRP CB C 33.061 0.3 1 253 26 26 TRP CD1 C 124.369 0.3 1 254 26 26 TRP N N 113.663 0.3 1 255 27 27 ILE H H 8.593 0.020 1 256 27 27 ILE HA H 4.271 0.020 1 257 27 27 ILE HB H 1.181 0.020 1 258 27 27 ILE HD1 H 0.784 0.020 1 259 27 27 ILE HG12 H 1.317 0.020 2 260 27 27 ILE HG13 H 0.589 0.020 2 261 27 27 ILE HG2 H 0.186 0.020 1 262 27 27 ILE C C 174.661 0.3 1 263 27 27 ILE CA C 61.287 0.3 1 264 27 27 ILE CB C 43.714 0.3 1 265 27 27 ILE CD1 C 14.577 0.3 1 266 27 27 ILE CG1 C 27.393 0.3 1 267 27 27 ILE CG2 C 18.950 0.3 1 268 27 27 ILE N N 116.335 0.3 1 269 28 28 VAL H H 9.289 0.020 1 270 28 28 VAL HA H 5.004 0.020 1 271 28 28 VAL HB H 2.087 0.020 1 272 28 28 VAL HG1 H 1.052 0.020 1 273 28 28 VAL HG2 H 1.195 0.020 1 274 28 28 VAL C C 174.670 0.3 1 275 28 28 VAL CA C 62.373 0.3 1 276 28 28 VAL CB C 35.097 0.3 1 277 28 28 VAL CG1 C 23.624 0.3 1 278 28 28 VAL CG2 C 22.041 0.3 1 279 28 28 VAL N N 126.249 0.3 1 280 29 29 PHE H H 9.676 0.020 1 281 29 29 PHE HA H 5.732 0.020 1 282 29 29 PHE HB2 H 3.421 0.020 2 283 29 29 PHE HB3 H 3.064 0.020 2 284 29 29 PHE HD1 H 7.182 0.020 1 285 29 29 PHE HD2 H 7.182 0.020 1 286 29 29 PHE HE1 H 7.248 0.020 3 287 29 29 PHE HE2 H 7.208 0.020 3 288 29 29 PHE C C 174.381 0.3 1 289 29 29 PHE CA C 55.724 0.3 1 290 29 29 PHE CB C 42.221 0.3 1 291 29 29 PHE CD1 C 132.873 0.3 1 292 29 29 PHE CD2 C 132.873 0.3 1 293 29 29 PHE CE1 C 131.537 0.3 1 294 29 29 PHE N N 126.038 0.3 1 295 30 30 LYS H H 9.465 0.020 1 296 30 30 LYS HA H 5.495 0.020 1 297 30 30 LYS HB2 H 1.916 0.020 2 298 30 30 LYS HB3 H 1.466 0.020 2 299 30 30 LYS HD2 H 1.625 0.020 1 300 30 30 LYS HD3 H 1.625 0.020 1 301 30 30 LYS HE2 H 2.916 0.020 2 302 30 30 LYS HE3 H 2.919 0.020 2 303 30 30 LYS HG2 H 1.290 0.020 2 304 30 30 LYS HG3 H 1.285 0.020 2 305 30 30 LYS C C 173.599 0.3 1 306 30 30 LYS CA C 53.620 0.3 1 307 30 30 LYS CB C 38.422 0.3 1 308 30 30 LYS CD C 29.580 0.3 1 309 30 30 LYS CE C 42.170 0.3 1 310 30 30 LYS CG C 24.453 0.3 1 311 30 30 LYS N N 120.061 0.3 1 312 31 31 ILE H H 8.474 0.020 1 313 31 31 ILE HA H 4.385 0.020 1 314 31 31 ILE HB H 1.224 0.020 1 315 31 31 ILE HD1 H -0.102 0.020 1 316 31 31 ILE HG12 H 0.736 0.020 2 317 31 31 ILE HG13 H 1.089 0.020 2 318 31 31 ILE HG2 H 0.609 0.020 1 319 31 31 ILE C C 175.611 0.3 1 320 31 31 ILE CA C 61.762 0.3 1 321 31 31 ILE CB C 38.625 0.3 1 322 31 31 ILE CD1 C 12.918 0.3 1 323 31 31 ILE CG1 C 29.881 0.3 1 324 31 31 ILE CG2 C 16.989 0.3 1 325 31 31 ILE N N 121.397 0.3 1 326 32 32 GLU H H 9.328 0.020 1 327 32 32 GLU C C 174.996 0.3 1 328 32 32 GLU CA C 55.113 0.3 1 329 32 32 GLU CB C 32.247 0.3 1 330 32 32 GLU N N 131.522 0.3 1 331 34 34 THR HA H 4.609 0.020 1 332 34 34 THR HB H 3.896 0.020 1 333 34 34 THR HG2 H 1.137 0.020 1 334 34 34 THR C C 173.784 0.3 1 335 34 34 THR CA C 61.966 0.3 1 336 34 34 THR CB C 68.887 0.3 1 337 34 34 THR CG2 C 21.965 0.3 1 338 35 35 LYS H H 7.734 0.020 1 339 35 35 LYS HA H 4.886 0.020 1 340 35 35 LYS HB2 H 1.619 0.020 2 341 35 35 LYS HB3 H 1.625 0.020 2 342 35 35 LYS HD2 H 1.322 0.020 2 343 35 35 LYS HD3 H 1.308 0.020 2 344 35 35 LYS HE2 H 2.959 0.020 2 345 35 35 LYS HE3 H 2.955 0.020 2 346 35 35 LYS HG2 H 0.965 0.020 1 347 35 35 LYS HG3 H 0.965 0.020 1 348 35 35 LYS C C 173.784 0.3 1 349 35 35 LYS CA C 54.638 0.3 1 350 35 35 LYS CB C 36.386 0.3 1 351 35 35 LYS CD C 29.504 0.3 1 352 35 35 LYS CE C 41.944 0.3 1 353 35 35 LYS CG C 24.378 0.3 1 354 35 35 LYS N N 120.202 0.3 1 355 36 36 ILE H H 8.449 0.020 1 356 36 36 ILE HA H 4.598 0.020 1 357 36 36 ILE HB H 1.612 0.020 1 358 36 36 ILE HD1 H 0.640 0.020 1 359 36 36 ILE HG12 H 0.884 0.020 1 360 36 36 ILE HG13 H 0.884 0.020 1 361 36 36 ILE HG2 H 0.640 0.020 1 362 36 36 ILE C C 174.715 0.3 1 363 36 36 ILE CA C 61.491 0.3 1 364 36 36 ILE CB C 39.032 0.3 1 365 36 36 ILE CD1 C 14.954 0.3 1 366 36 36 ILE CG1 C 29.580 0.3 1 367 36 36 ILE CG2 C 17.442 0.3 1 368 36 36 ILE N N 122.944 0.3 1 369 37 37 VAL H H 9.250 0.020 1 370 37 37 VAL HA H 4.625 0.020 1 371 37 37 VAL HB H 2.391 0.020 1 372 37 37 VAL HG1 H 0.939 0.020 1 373 37 37 VAL HG2 H 0.760 0.020 1 374 37 37 VAL C C 175.889 0.3 1 375 37 37 VAL CA C 59.252 0.3 1 376 37 37 VAL CB C 35.843 0.3 1 377 37 37 VAL CG1 C 21.588 0.3 1 378 37 37 VAL CG2 C 18.573 0.3 1 379 37 37 VAL N N 118.753 0.3 1 380 38 38 VAL H H 8.953 0.020 1 381 38 38 VAL HA H 3.787 0.020 1 382 38 38 VAL HB H 1.982 0.020 1 383 38 38 VAL HG1 H 1.084 0.020 1 384 38 38 VAL HG2 H 0.665 0.020 1 385 38 38 VAL C C 175.929 0.3 1 386 38 38 VAL CA C 64.409 0.3 1 387 38 38 VAL CB C 32.654 0.3 1 388 38 38 VAL CG1 C 22.870 0.3 1 389 38 38 VAL CG2 C 21.288 0.3 1 390 38 38 VAL N N 122.382 0.3 1 391 39 39 GLU H H 9.586 0.020 1 392 39 39 GLU HA H 4.480 0.020 1 393 39 39 GLU HB2 H 1.599 0.020 2 394 39 39 GLU HB3 H 1.600 0.020 2 395 39 39 GLU HG2 H 2.234 0.020 1 396 39 39 GLU HG3 H 2.234 0.020 1 397 39 39 GLU C C 175.592 0.3 1 398 39 39 GLU CA C 57.488 0.3 1 399 39 39 GLU CB C 32.722 0.3 1 400 39 39 GLU CG C 37.043 0.3 1 401 39 39 GLU N N 130.257 0.3 1 402 40 40 LYS H H 7.925 0.020 1 403 40 40 LYS HA H 4.559 0.020 1 404 40 40 LYS HB2 H 2.114 0.020 2 405 40 40 LYS HB3 H 1.826 0.020 2 406 40 40 LYS HD2 H 1.823 0.020 2 407 40 40 LYS HD3 H 1.836 0.020 2 408 40 40 LYS HE2 H 2.985 0.020 1 409 40 40 LYS HE3 H 2.985 0.020 1 410 40 40 LYS HG2 H 1.559 0.020 1 411 40 40 LYS HG3 H 1.559 0.020 1 412 40 40 LYS C C 171.904 0.3 1 413 40 40 LYS CA C 54.909 0.3 1 414 40 40 LYS CB C 36.997 0.3 1 415 40 40 LYS CD C 29.800 0.3 1 416 40 40 LYS CE C 41.944 0.3 1 417 40 40 LYS CG C 24.679 0.3 1 418 40 40 LYS N N 115.632 0.3 1 419 41 41 ASP H H 7.817 0.020 1 420 41 41 ASP HA H 3.949 0.020 1 421 41 41 ASP HB2 H 2.655 0.020 2 422 41 41 ASP HB3 H 2.404 0.020 2 423 41 41 ASP C C 173.450 0.3 1 424 41 41 ASP CA C 52.195 0.3 1 425 41 41 ASP CB C 45.071 0.3 1 426 41 41 ASP N N 118.108 0.3 1 427 42 42 GLY H H 6.205 0.020 1 428 42 42 GLY HA2 H 4.054 0.020 2 429 42 42 GLY HA3 H 3.250 0.020 2 430 42 42 GLY C C 172.500 0.3 1 431 42 42 GLY CA C 45.275 0.3 1 432 42 42 GLY N N 101.288 0.3 1 433 43 43 LYS H H 8.980 0.020 1 434 43 43 LYS HA H 4.290 0.020 1 435 43 43 LYS HB2 H 1.934 0.020 2 436 43 43 LYS HB3 H 1.655 0.020 2 437 43 43 LYS HD2 H 1.708 0.020 2 438 43 43 LYS HD3 H 1.484 0.020 2 439 43 43 LYS HE2 H 2.945 0.020 1 440 43 43 LYS HE3 H 2.945 0.020 1 441 43 43 LYS HG2 H 1.368 0.020 2 442 43 43 LYS HG3 H 1.365 0.020 2 443 43 43 LYS C C 176.262 0.3 1 444 43 43 LYS CA C 56.470 0.3 1 445 43 43 LYS CB C 34.554 0.3 1 446 43 43 LYS CD C 29.353 0.3 1 447 43 43 LYS CE C 42.019 0.3 1 448 43 43 LYS CG C 24.981 0.3 1 449 43 43 LYS N N 118.022 0.3 1 450 44 44 GLY H H 9.070 0.020 1 451 44 44 GLY HA2 H 4.248 0.020 2 452 44 44 GLY HA3 H 3.777 0.020 2 453 44 44 GLY C C 171.215 0.3 1 454 44 44 GLY CA C 44.868 0.3 1 455 44 44 GLY N N 112.257 0.3 1 456 45 45 ASN H H 7.660 0.020 1 457 45 45 ASN HA H 4.978 0.020 1 458 45 45 ASN HB2 H 3.497 0.020 2 459 45 45 ASN HB3 H 3.088 0.020 2 460 45 45 ASN C C 176.560 0.3 1 461 45 45 ASN CA C 51.992 0.3 1 462 45 45 ASN CB C 38.777 0.3 1 463 45 45 ASN N N 112.749 0.3 1 464 46 46 ALA H H 7.692 0.020 1 465 46 46 ALA HA H 3.487 0.020 1 466 46 46 ALA HB H 0.794 0.020 1 467 46 46 ALA C C 178.721 0.3 1 468 46 46 ALA CA C 55.384 0.3 1 469 46 46 ALA CB C 18.066 0.3 1 470 46 46 ALA N N 119.160 0.3 1 471 47 47 ASP H H 7.910 0.020 1 472 47 47 ASP HA H 4.234 0.020 1 473 47 47 ASP HB2 H 2.615 0.020 1 474 47 47 ASP HB3 H 2.615 0.020 1 475 47 47 ASP C C 178.721 0.3 1 476 47 47 ASP CA C 57.216 0.3 1 477 47 47 ASP CB C 39.575 0.3 1 478 47 47 ASP N N 116.686 0.3 1 479 48 48 GLU H H 7.574 0.020 1 480 48 48 GLU HA H 3.829 0.020 1 481 48 48 GLU HB2 H 2.584 0.020 2 482 48 48 GLU HB3 H 2.140 0.020 2 483 48 48 GLU HG2 H 2.417 0.020 1 484 48 48 GLU HG3 H 2.417 0.020 1 485 48 48 GLU C C 178.069 0.3 1 486 48 48 GLU CA C 58.981 0.3 1 487 48 48 GLU CB C 30.551 0.3 1 488 48 48 GLU CG C 37.797 0.3 1 489 48 48 GLU N N 124.421 0.3 1 490 49 49 PHE H H 6.832 0.020 1 491 49 49 PHE HA H 4.245 0.020 1 492 49 49 PHE HB2 H 2.156 0.020 2 493 49 49 PHE HB3 H 2.255 0.020 2 494 49 49 PHE HD1 H 6.664 0.020 3 495 49 49 PHE HD2 H 6.612 0.020 3 496 49 49 PHE HE1 H 6.705 0.020 3 497 49 49 PHE HE2 H 6.612 0.020 3 498 49 49 PHE C C 175.611 0.3 1 499 49 49 PHE CA C 59.252 0.3 1 500 49 49 PHE CB C 38.829 0.3 1 501 49 49 PHE CD1 C 118.039 0.3 1 502 49 49 PHE CE1 C 124.052 0.3 1 503 49 49 PHE N N 119.429 0.3 1 504 50 50 ARG H H 8.222 0.020 1 505 50 50 ARG HA H 2.831 0.020 1 506 50 50 ARG HB2 H 1.546 0.020 1 507 50 50 ARG HB3 H 1.546 0.020 1 508 50 50 ARG HG2 H 1.044 0.020 1 509 50 50 ARG HG3 H 1.044 0.020 1 510 50 50 ARG C C 178.740 0.3 1 511 50 50 ARG CA C 59.727 0.3 1 512 50 50 ARG CB C 30.619 0.3 1 513 50 50 ARG CD C 43.301 0.3 1 514 50 50 ARG CG C 30.100 0.3 1 515 50 50 ARG N N 115.210 0.3 1 516 51 51 GLY H H 7.234 0.020 1 517 51 51 GLY HA2 H 3.658 0.020 2 518 51 51 GLY HA3 H 3.513 0.020 2 519 51 51 GLY C C 173.711 0.3 1 520 51 51 GLY CA C 45.546 0.3 1 521 51 51 GLY N N 103.257 0.3 1 522 52 52 ALA H H 6.980 0.020 1 523 52 52 ALA HA H 4.082 0.020 1 524 52 52 ALA HB H 0.992 0.020 1 525 52 52 ALA C C 176.262 0.3 1 526 52 52 ALA CA C 51.366 0.3 1 527 52 52 ALA CB C 19.872 0.3 1 528 52 52 ALA N N 122.382 0.3 1 529 53 53 LEU H H 6.390 0.020 1 530 53 53 LEU HD1 H 0.704 0.020 1 531 53 53 LEU HD2 H 0.704 0.020 1 532 53 53 LEU HG H 1.271 0.020 1 533 53 53 LEU C C 174.195 0.3 1 534 53 53 LEU CA C 51.110 0.3 1 535 53 53 LEU CB C 38.761 0.3 1 536 53 53 LEU N N 119.499 0.3 1 537 54 54 PRO HA H 4.464 0.020 1 538 54 54 PRO HB2 H 2.246 0.020 1 539 54 54 PRO HB3 H 2.246 0.020 1 540 54 54 PRO HD2 H 3.856 0.020 1 541 54 54 PRO HD3 H 3.856 0.020 1 542 54 54 PRO HG2 H 1.955 0.020 1 543 54 54 PRO HG3 H 1.955 0.020 2 544 54 54 PRO C C 177.231 0.3 1 545 54 54 PRO CA C 61.898 0.3 1 546 54 54 PRO CB C 31.908 0.3 1 547 54 54 PRO CD C 50.538 0.3 1 548 54 54 PRO CG C 26.564 0.3 1 549 55 55 ALA H H 8.703 0.020 1 550 55 55 ALA HA H 4.239 0.020 1 551 55 55 ALA HB H 1.414 0.020 1 552 55 55 ALA C C 178.125 0.3 1 553 55 55 ALA CA C 54.774 0.3 1 554 55 55 ALA CB C 18.880 0.3 1 555 55 55 ALA N N 123.014 0.3 1 556 56 56 ASN H H 7.972 0.020 1 557 56 56 ASN HA H 4.556 0.020 1 558 56 56 ASN HB2 H 2.847 0.020 2 559 56 56 ASN HB3 H 2.741 0.020 2 560 56 56 ASN C C 173.469 0.3 1 561 56 56 ASN CA C 51.449 0.3 1 562 56 56 ASN CB C 39.032 0.3 1 563 56 56 ASN N N 109.866 0.3 1 564 57 57 ASP H H 7.343 0.020 1 565 57 57 ASP HA H 4.769 0.020 1 566 57 57 ASP HB2 H 2.576 0.020 2 567 57 57 ASP HB3 H 2.312 0.020 2 568 57 57 ASP C C 172.779 0.3 1 569 57 57 ASP CA C 52.060 0.3 1 570 57 57 ASP CB C 44.325 0.3 1 571 57 57 ASP N N 115.772 0.3 1 572 58 58 CYS H H 7.968 0.020 1 573 58 58 CYS HA H 4.559 0.020 1 574 58 58 CYS HB2 H 2.061 0.020 2 575 58 58 CYS HB3 H 1.493 0.020 2 576 58 58 CYS C C 173.748 0.3 1 577 58 58 CYS CA C 57.013 0.3 1 578 58 58 CYS CB C 29.669 0.3 1 579 58 58 CYS N N 115.913 0.3 1 580 59 59 ARG H H 8.937 0.020 1 581 59 59 ARG HA H 4.688 0.020 1 582 59 59 ARG HB2 H 1.599 0.020 2 583 59 59 ARG HB3 H 1.593 0.020 2 584 59 59 ARG HD2 H 2.415 0.020 2 585 59 59 ARG HD3 H 2.391 0.020 2 586 59 59 ARG HG2 H 1.284 0.020 2 587 59 59 ARG HG3 H 1.290 0.020 2 588 59 59 ARG C C 175.312 0.3 1 589 59 59 ARG CA C 54.095 0.3 1 590 59 59 ARG CB C 38.218 0.3 1 591 59 59 ARG CD C 38.099 0.3 1 592 59 59 ARG CG C 29.504 0.3 1 593 59 59 ARG N N 116.475 0.3 1 594 60 60 PHE H H 8.351 0.020 1 595 60 60 PHE HA H 5.903 0.020 1 596 60 60 PHE HB2 H 3.315 0.020 2 597 60 60 PHE HB3 H 2.998 0.020 2 598 60 60 PHE HD1 H 7.179 0.020 1 599 60 60 PHE HD2 H 7.179 0.020 1 600 60 60 PHE HE1 H 7.226 0.020 1 601 60 60 PHE HE2 H 7.226 0.020 1 602 60 60 PHE C C 175.945 0.3 1 603 60 60 PHE CA C 54.977 0.3 1 604 60 60 PHE CB C 42.764 0.3 1 605 60 60 PHE CD1 C 133.179 0.3 1 606 60 60 PHE CD2 C 133.179 0.3 1 607 60 60 PHE CE1 C 130.638 0.3 1 608 60 60 PHE CE2 C 130.638 0.3 1 609 60 60 PHE N N 114.718 0.3 1 610 61 61 GLY H H 9.457 0.020 1 611 61 61 GLY HA2 H 5.959 0.020 2 612 61 61 GLY HA3 H 3.962 0.020 2 613 61 61 GLY C C 171.567 0.3 1 614 61 61 GLY CA C 45.885 0.3 1 615 61 61 GLY N N 107.968 0.3 1 616 62 62 VAL H H 9.191 0.020 1 617 62 62 VAL HA H 5.691 0.020 1 618 62 62 VAL HB H 2.035 0.020 1 619 62 62 VAL HG1 H 1.163 0.020 1 620 62 62 VAL HG2 H 1.176 0.020 1 621 62 62 VAL C C 173.113 0.3 1 622 62 62 VAL CA C 59.252 0.3 1 623 62 62 VAL CB C 35.911 0.3 1 624 62 62 VAL CG1 C 23.398 0.3 1 625 62 62 VAL CG2 C 20.910 0.3 1 626 62 62 VAL N N 113.311 0.3 1 627 63 63 TYR H H 8.238 0.020 1 628 63 63 TYR HA H 4.689 0.020 1 629 63 63 TYR HB2 H 2.285 0.020 2 630 63 63 TYR HB3 H 1.599 0.020 2 631 63 63 TYR HD1 H 6.628 0.020 1 632 63 63 TYR HD2 H 6.628 0.020 1 633 63 63 TYR HE1 H 6.665 0.020 1 634 63 63 TYR HE2 H 6.665 0.020 1 635 63 63 TYR C C 173.747 0.3 1 636 63 63 TYR CA C 57.488 0.3 1 637 63 63 TYR CB C 42.493 0.3 1 638 63 63 TYR CD1 C 131.902 0.3 1 639 63 63 TYR CD2 C 131.902 0.3 1 640 63 63 TYR CE1 C 117.728 0.3 1 641 63 63 TYR CE2 C 117.728 0.3 1 642 63 63 TYR N N 121.538 0.3 1 643 64 64 ASP H H 8.332 0.020 1 644 64 64 ASP HA H 4.531 0.020 1 645 64 64 ASP HB2 H 2.932 0.020 2 646 64 64 ASP HB3 H 2.180 0.020 2 647 64 64 ASP C C 174.045 0.3 1 648 64 64 ASP CA C 54.231 0.3 1 649 64 64 ASP CB C 40.525 0.3 1 650 64 64 ASP N N 127.022 0.3 1 651 65 65 CYS H H 8.535 0.020 1 652 65 65 CYS HA H 4.572 0.020 1 653 65 65 CYS HB2 H 3.553 0.020 2 654 65 65 CYS HB3 H 3.130 0.020 2 655 65 65 CYS C C 175.610 0.3 1 656 65 65 CYS CA C 59.388 0.3 1 657 65 65 CYS CB C 28.990 0.3 1 658 65 65 CYS N N 123.647 0.3 1 659 66 66 GLY H H 9.043 0.020 1 660 66 66 GLY C C 175.274 0.3 1 661 66 66 GLY CA C 46.360 0.3 1 662 66 66 GLY N N 113.241 0.3 1 663 67 67 ASN HA H 5.335 0.020 1 664 67 67 ASN HB2 H 2.972 0.020 2 665 67 67 ASN HB3 H 2.800 0.020 2 666 67 67 ASN C C 174.268 0.3 1 667 67 67 ASN CA C 52.874 0.3 1 668 67 67 ASN CB C 37.743 0.3 1 669 68 68 LYS H H 7.402 0.020 1 670 68 68 LYS HA H 4.516 0.020 1 671 68 68 LYS HB2 H 2.037 0.020 2 672 68 68 LYS HB3 H 1.630 0.020 2 673 68 68 LYS HD2 H 1.630 0.020 1 674 68 68 LYS HD3 H 1.630 0.020 1 675 68 68 LYS HE2 H 3.065 0.020 2 676 68 68 LYS HE3 H 3.065 0.020 2 677 68 68 LYS HG2 H 1.345 0.020 1 678 68 68 LYS HG3 H 1.345 0.020 1 679 68 68 LYS C C 173.393 0.3 1 680 68 68 LYS CA C 55.317 0.3 1 681 68 68 LYS CB C 34.079 0.3 1 682 68 68 LYS CD C 29.730 0.3 1 683 68 68 LYS CE C 42.924 0.3 1 684 68 68 LYS CG C 23.021 0.3 1 685 68 68 LYS N N 115.280 0.3 1 686 69 69 ILE H H 9.226 0.020 1 687 69 69 ILE HA H 4.490 0.020 1 688 69 69 ILE HB H 1.862 0.020 1 689 69 69 ILE HD1 H 0.635 0.020 1 690 69 69 ILE HG12 H 1.575 0.020 2 691 69 69 ILE HG13 H 1.572 0.020 2 692 69 69 ILE HG2 H 0.833 0.020 1 693 69 69 ILE C C 174.678 0.3 1 694 69 69 ILE CA C 61.031 0.3 1 695 69 69 ILE CB C 38.728 0.3 1 696 69 69 ILE CD1 C 13.823 0.3 1 697 69 69 ILE CG1 C 27.243 0.3 1 698 69 69 ILE CG2 C 18.874 0.3 1 699 69 69 ILE N N 122.733 0.3 1 700 70 70 GLN H H 8.816 0.020 1 701 70 70 GLN HA H 4.450 0.020 1 702 70 70 GLN HB2 H 2.262 0.020 2 703 70 70 GLN HB3 H 1.982 0.020 2 704 70 70 GLN HG2 H 2.167 0.020 1 705 70 70 GLN HG3 H 2.167 0.020 1 706 70 70 GLN C C 175.162 0.3 1 707 70 70 GLN CA C 55.181 0.3 1 708 70 70 GLN CB C 32.179 0.3 1 709 70 70 GLN CG C 34.320 0.3 1 710 70 70 GLN N N 126.249 0.3 1 711 71 71 PHE H H 8.951 0.020 1 712 71 71 PHE HA H 5.353 0.020 1 713 71 71 PHE HB2 H 2.998 0.020 1 714 71 71 PHE HB3 H 2.998 0.020 1 715 71 71 PHE HD1 H 6.989 0.020 1 716 71 71 PHE HD2 H 6.989 0.020 1 717 71 71 PHE HE1 H 6.989 0.020 3 718 71 71 PHE HE2 H 7.008 0.020 3 719 71 71 PHE C C 175.591 0.3 1 720 71 71 PHE CA C 57.895 0.3 1 721 71 71 PHE CB C 41.068 0.3 1 722 71 71 PHE CD1 C 132.207 0.3 1 723 71 71 PHE CD2 C 132.207 0.3 1 724 71 71 PHE CE1 C 132.207 0.3 1 725 71 71 PHE N N 128.746 0.3 1 726 72 72 VAL H H 9.492 0.020 1 727 72 72 VAL HA H 4.936 0.020 1 728 72 72 VAL HB H 1.845 0.020 1 729 72 72 VAL HG1 H 1.005 0.020 1 730 72 72 VAL HG2 H 1.005 0.020 1 731 72 72 VAL C C 173.449 0.3 1 732 72 72 VAL CA C 61.287 0.3 1 733 72 72 VAL CB C 36.861 0.3 1 734 72 72 VAL CG1 C 20.830 0.3 1 735 72 72 VAL CG2 C 20.830 0.3 1 736 72 72 VAL N N 131.100 0.3 1 737 73 73 LEU H H 9.183 0.020 1 738 73 73 LEU HA H 4.992 0.020 1 739 73 73 LEU HB2 H 2.100 0.020 2 740 73 73 LEU HB3 H 1.314 0.020 2 741 73 73 LEU HD1 H 1.018 0.020 1 742 73 73 LEU HD2 H 1.018 0.020 1 743 73 73 LEU HG H 1.747 0.020 1 744 73 73 LEU C C 172.797 0.3 1 745 73 73 LEU CA C 54.163 0.3 1 746 73 73 LEU CB C 44.393 0.3 1 747 73 73 LEU CD1 C 24.755 0.3 1 748 73 73 LEU CD2 C 24.755 0.3 1 749 73 73 LEU CG C 27.243 0.3 1 750 73 73 LEU N N 128.569 0.3 1 751 74 74 TRP H H 8.871 0.020 1 752 74 74 TRP HA H 5.144 0.020 1 753 74 74 TRP HB2 H 3.157 0.020 2 754 74 74 TRP HB3 H 2.594 0.020 2 755 74 74 TRP C C 172.797 0.3 1 756 74 74 TRP CA C 55.181 0.3 1 757 74 74 TRP CB C 30.279 0.3 1 758 74 74 TRP N N 129.694 0.3 1 759 75 75 CYS H H 8.148 0.020 1 760 75 75 CYS C C 170.263 0.3 1 761 75 75 CYS CA C 53.688 0.3 1 762 75 75 CYS CB C 28.651 0.3 1 763 75 75 CYS N N 124.210 0.3 1 764 76 76 PRO HA H 4.318 0.020 1 765 76 76 PRO HB2 H 2.021 0.020 1 766 76 76 PRO HB3 H 2.021 0.020 1 767 76 76 PRO HD2 H 3.896 0.020 1 768 76 76 PRO HD3 H 3.896 0.020 1 769 76 76 PRO HG2 H 1.638 0.020 1 770 76 76 PRO HG3 H 1.638 0.020 1 771 76 76 PRO C C 177.808 0.3 1 772 76 76 PRO CA C 61.966 0.3 1 773 76 76 PRO CB C 31.569 0.3 1 774 76 76 PRO CD C 47.070 0.3 1 775 76 76 PRO CG C 27.770 0.3 1 776 77 77 ASP H H 7.812 0.020 1 777 77 77 ASP HA H 4.559 0.020 1 778 77 77 ASP HB2 H 2.932 0.020 1 779 77 77 ASP HB3 H 2.932 0.020 1 780 77 77 ASP C C 176.542 0.3 1 781 77 77 ASP CA C 56.741 0.3 1 782 77 77 ASP CB C 41.475 0.3 1 783 77 77 ASP N N 120.132 0.3 1 784 78 78 ASN H H 7.812 0.020 1 785 78 78 ASN HA H 4.424 0.020 1 786 78 78 ASN HB2 H 1.850 0.020 2 787 78 78 ASN HB3 H 1.533 0.020 2 788 78 78 ASN C C 176.877 0.3 1 789 78 78 ASN CA C 53.349 0.3 1 790 78 78 ASN CB C 41.543 0.3 1 791 78 78 ASN N N 114.296 0.3 1 792 79 79 ALA H H 7.375 0.020 1 793 79 79 ALA C C 175.611 0.3 1 794 79 79 ALA CA C 56.063 0.3 1 795 79 79 ALA CB C 17.116 0.3 1 796 79 79 ALA N N 126.389 0.3 1 797 80 80 PRO HA H 4.543 0.020 1 798 80 80 PRO HB2 H 2.457 0.020 1 799 80 80 PRO HB3 H 2.457 0.020 1 800 80 80 PRO HD2 H 3.896 0.020 1 801 80 80 PRO HD3 H 3.896 0.020 1 802 80 80 PRO C C 177.174 0.3 1 803 80 80 PRO CA C 62.441 0.3 1 804 80 80 PRO CB C 31.501 0.3 1 805 80 80 PRO CD C 50.764 0.3 1 806 80 80 PRO CG C 27.770 0.3 1 807 81 81 VAL H H 8.109 0.020 1 808 81 81 VAL HA H 3.526 0.020 1 809 81 81 VAL HB H 2.008 0.020 1 810 81 81 VAL HG1 H 0.992 0.020 1 811 81 81 VAL HG2 H 0.992 0.020 1 812 81 81 VAL C C 177.174 0.3 1 813 81 81 VAL CA C 66.444 0.3 1 814 81 81 VAL CB C 32.315 0.3 1 815 81 81 VAL CG1 C 22.267 0.3 1 816 81 81 VAL CG2 C 20.382 0.3 1 817 81 81 VAL N N 119.569 0.3 1 818 82 82 LYS H H 8.636 0.020 1 819 82 82 LYS C C 177.174 0.3 1 820 82 82 LYS CA C 61.830 0.3 1 821 82 82 LYS CB C 29.397 0.3 1 822 82 82 LYS N N 119.218 0.3 1 823 83 83 PRO HA H 4.596 0.020 1 824 83 83 PRO HB2 H 2.589 0.020 1 825 83 83 PRO HB3 H 2.589 0.020 1 826 83 83 PRO HD2 H 3.764 0.020 1 827 83 83 PRO HD3 H 3.764 0.020 1 828 83 83 PRO HG2 H 2.206 0.020 2 829 83 83 PRO HG3 H 1.873 0.020 2 830 83 83 PRO C C 178.125 0.3 1 831 83 83 PRO CA C 66.173 0.3 1 832 83 83 PRO CB C 30.347 0.3 1 833 83 83 PRO CD C 49.483 0.3 1 834 83 83 PRO CG C 28.147 0.3 1 835 84 84 ARG H H 7.222 0.020 1 836 84 84 ARG HA H 4.213 0.020 1 837 84 84 ARG HB2 H 1.873 0.020 2 838 84 84 ARG HB3 H 1.722 0.020 2 839 84 84 ARG HD2 H 3.116 0.020 1 840 84 84 ARG HD3 H 3.116 0.020 1 841 84 84 ARG HG2 H 1.553 0.020 2 842 84 84 ARG HG3 H 1.124 0.020 2 843 84 84 ARG C C 179.429 0.3 1 844 84 84 ARG CA C 61.084 0.3 1 845 84 84 ARG CB C 30.415 0.3 1 846 84 84 ARG CD C 43.753 0.3 1 847 84 84 ARG CG C 29.504 0.3 1 848 84 84 ARG N N 117.460 0.3 1 849 85 85 MET H H 8.355 0.020 1 850 85 85 MET HA H 4.219 0.020 1 851 85 85 MET HB2 H 2.282 0.020 2 852 85 85 MET HB3 H 2.283 0.020 2 853 85 85 MET HG2 H 2.776 0.020 2 854 85 85 MET HG3 H 2.610 0.020 2 855 85 85 MET C C 179.671 0.3 1 856 85 85 MET CA C 58.234 0.3 1 857 85 85 MET CB C 32.071 0.3 1 858 85 85 MET CG C 32.143 0.3 1 859 85 85 MET N N 117.882 0.3 1 860 86 86 THR H H 8.792 0.020 1 861 86 86 THR HA H 3.892 0.020 1 862 86 86 THR HB H 4.228 0.020 1 863 86 86 THR HG2 H 1.084 0.020 1 864 86 86 THR C C 177.771 0.3 1 865 86 86 THR CA C 66.783 0.3 1 866 86 86 THR CB C 68.548 0.3 1 867 86 86 THR CG2 C 21.360 0.3 1 868 86 86 THR N N 119.260 0.3 1 869 87 87 TYR H H 9.182 0.020 1 870 87 87 TYR HA H 3.893 0.020 1 871 87 87 TYR HB2 H 2.906 0.020 2 872 87 87 TYR HB3 H 2.206 0.020 2 873 87 87 TYR HD1 H 7.710 0.020 3 874 87 87 TYR HD2 H 7.710 0.020 3 875 87 87 TYR HE1 H 7.758 0.020 3 876 87 87 TYR HE2 H 7.717 0.020 3 877 87 87 TYR C C 178.106 0.3 1 878 87 87 TYR CA C 63.144 0.3 1 879 87 87 TYR CB C 36.929 0.3 1 880 87 87 TYR CE1 C 119.335 0.3 1 881 87 87 TYR N N 122.475 0.3 1 882 88 88 ALA H H 7.735 0.020 1 883 88 88 ALA HA H 4.147 0.020 1 884 88 88 ALA HB H 1.618 0.020 1 885 88 88 ALA C C 180.621 0.3 1 886 88 88 ALA CA C 56.267 0.3 1 887 88 88 ALA CB C 18.134 0.3 1 888 88 88 ALA N N 119.288 0.3 1 889 89 89 SER H H 8.105 0.020 1 890 89 89 SER HA H 4.427 0.020 1 891 89 89 SER HB2 H 4.090 0.020 2 892 89 89 SER HB3 H 4.092 0.020 2 893 89 89 SER C C 175.760 0.3 1 894 89 89 SER CA C 60.813 0.3 1 895 89 89 SER CB C 63.594 0.3 1 896 89 89 SER N N 110.358 0.3 1 897 90 90 SER H H 7.640 0.020 1 898 90 90 SER HA H 4.728 0.020 1 899 90 90 SER HB2 H 3.909 0.020 1 900 90 90 SER HB3 H 3.909 0.020 1 901 90 90 SER C C 173.450 0.3 1 902 90 90 SER CA C 59.274 0.3 1 903 90 90 SER CB C 62.450 0.3 1 904 90 90 SER N N 115.210 0.3 1 905 91 91 LYS H H 7.218 0.020 1 906 91 91 LYS HA H 3.684 0.020 1 907 91 91 LYS HB2 H 2.087 0.020 1 908 91 91 LYS HB3 H 2.087 0.020 1 909 91 91 LYS HD2 H 1.567 0.020 1 910 91 91 LYS HD3 H 1.567 0.020 1 911 91 91 LYS HE2 H 3.027 0.020 1 912 91 91 LYS HE3 H 3.027 0.020 1 913 91 91 LYS HG2 H 1.027 0.020 2 914 91 91 LYS HG3 H 1.031 0.020 2 915 91 91 LYS C C 176.542 0.3 1 916 91 91 LYS CA C 59.659 0.3 1 917 91 91 LYS CB C 32.383 0.3 1 918 91 91 LYS CD C 29.806 0.3 1 919 91 91 LYS CE C 42.321 0.3 1 920 91 91 LYS CG C 23.548 0.3 1 921 91 91 LYS N N 120.413 0.3 1 922 92 92 ASP H H 8.445 0.020 1 923 92 92 ASP HA H 4.207 0.020 1 924 92 92 ASP HB2 H 2.535 0.020 2 925 92 92 ASP HB3 H 2.454 0.020 2 926 92 92 ASP C C 177.492 0.3 1 927 92 92 ASP CA C 57.420 0.3 1 928 92 92 ASP CB C 40.254 0.3 1 929 92 92 ASP N N 118.585 0.3 1 930 93 93 ALA H H 7.609 0.020 1 931 93 93 ALA HA H 3.843 0.020 1 932 93 93 ALA HB H 1.256 0.020 1 933 93 93 ALA C C 179.317 0.3 1 934 93 93 ALA CA C 54.570 0.3 1 935 93 93 ALA CB C 17.523 0.3 1 936 93 93 ALA N N 121.679 0.3 1 937 94 94 LEU H H 6.488 0.020 1 938 94 94 LEU HA H 3.834 0.020 1 939 94 94 LEU HB2 H 1.140 0.020 2 940 94 94 LEU HB3 H 0.821 0.020 2 941 94 94 LEU HD1 H 0.199 0.020 1 942 94 94 LEU HD2 H 0.189 0.020 1 943 94 94 LEU HG H -0.026 0.020 1 944 94 94 LEU C C 177.473 0.3 1 945 94 94 LEU CA C 56.267 0.3 1 946 94 94 LEU CB C 41.814 0.3 1 947 94 94 LEU CD1 C 21.890 0.3 1 948 94 94 LEU CD2 C 21.890 0.3 1 949 94 94 LEU CG C 25.961 0.3 1 950 94 94 LEU N N 113.733 0.3 1 951 95 95 LEU H H 7.875 0.020 1 952 95 95 LEU HA H 3.103 0.020 1 953 95 95 LEU HB2 H 1.256 0.020 2 954 95 95 LEU HB3 H 0.745 0.020 2 955 95 95 LEU HD1 H 0.289 0.020 1 956 95 95 LEU HD2 H 0.289 0.020 1 957 95 95 LEU HG H 0.837 0.020 1 958 95 95 LEU C C 179.019 0.3 1 959 95 95 LEU CA C 58.438 0.3 1 960 95 95 LEU CB C 41.814 0.3 1 961 95 95 LEU CD1 C 24.302 0.3 1 962 95 95 LEU CD2 C 23.096 0.3 1 963 95 95 LEU CG C 27.016 0.3 1 964 95 95 LEU N N 118.866 0.3 1 965 96 96 LYS H H 7.695 0.020 1 966 96 96 LYS HA H 3.843 0.020 1 967 96 96 LYS HB2 H 1.678 0.020 1 968 96 96 LYS HB3 H 1.678 0.020 1 969 96 96 LYS HD2 H 1.401 0.020 2 970 96 96 LYS HD3 H 1.414 0.020 2 971 96 96 LYS HE2 H 2.840 0.020 1 972 96 96 LYS HE3 H 2.840 0.020 1 973 96 96 LYS HG3 H 0.833 0.020 1 974 96 96 LYS C C 177.790 0.3 1 975 96 96 LYS CA C 58.234 0.3 1 976 96 96 LYS CB C 32.111 0.3 1 977 96 96 LYS CD C 28.298 0.3 1 978 96 96 LYS CE C 42.094 0.3 1 979 96 96 LYS CG C 25.207 0.3 1 980 96 96 LYS N N 114.577 0.3 1 981 97 97 LYS H H 7.164 0.020 1 982 97 97 LYS HA H 4.177 0.020 1 983 97 97 LYS HB2 H 1.700 0.020 1 984 97 97 LYS HB3 H 1.700 0.020 1 985 97 97 LYS HD2 H 1.586 0.020 1 986 97 97 LYS HD3 H 1.586 0.020 1 987 97 97 LYS HE2 H 2.952 0.020 2 988 97 97 LYS HE3 H 2.947 0.020 2 989 97 97 LYS HG2 H 1.368 0.020 2 990 97 97 LYS HG3 H 1.279 0.020 2 991 97 97 LYS C C 175.946 0.3 1 992 97 97 LYS CA C 55.588 0.3 1 993 97 97 LYS CB C 32.519 0.3 1 994 97 97 LYS CD C 28.298 0.3 1 995 97 97 LYS CE C 41.868 0.3 1 996 97 97 LYS CG C 24.577 0.3 1 997 97 97 LYS N N 115.913 0.3 1 998 98 98 LEU H H 7.105 0.020 1 999 98 98 LEU HA H 3.831 0.020 1 1000 98 98 LEU HB2 H 1.365 0.020 2 1001 98 98 LEU HB3 H 1.287 0.020 2 1002 98 98 LEU HD1 H 0.035 0.020 1 1003 98 98 LEU HD2 H 0.094 0.020 1 1004 98 98 LEU HG H 0.213 0.020 1 1005 98 98 LEU C C 174.661 0.3 1 1006 98 98 LEU CA C 52.535 0.3 1 1007 98 98 LEU CB C 38.354 0.3 1 1008 98 98 LEU CD1 C 20.684 0.3 1 1009 98 98 LEU CD2 C 20.684 0.3 1 1010 98 98 LEU CG C 25.961 0.3 1 1011 98 98 LEU N N 120.554 0.3 1 1012 99 99 ASP H H 7.636 0.020 1 1013 99 99 ASP HA H 4.386 0.020 1 1014 99 99 ASP HB2 H 2.700 0.020 2 1015 99 99 ASP HB3 H 2.533 0.020 2 1016 99 99 ASP C C 176.244 0.3 1 1017 99 99 ASP CA C 55.588 0.3 1 1018 99 99 ASP CB C 41.339 0.3 1 1019 99 99 ASP N N 120.694 0.3 1 1020 100 100 GLY H H 8.937 0.020 1 1021 100 100 GLY HA2 H 4.342 0.020 2 1022 100 100 GLY HA3 H 3.757 0.020 2 1023 100 100 GLY C C 175.312 0.3 1 1024 100 100 GLY CA C 44.935 0.3 1 1025 100 100 GLY N N 114.366 0.3 1 1026 101 101 ALA H H 8.040 0.020 1 1027 101 101 ALA HA H 4.856 0.020 1 1028 101 101 ALA HB H 1.388 0.020 1 1029 101 101 ALA C C 177.324 0.3 1 1030 101 101 ALA CA C 52.042 0.3 1 1031 101 101 ALA CB C 19.196 0.3 1 1032 101 101 ALA N N 123.152 0.3 1 1033 102 102 THR H H 8.281 0.020 1 1034 102 102 THR HA H 4.523 0.020 1 1035 102 102 THR HB H 4.114 0.020 1 1036 102 102 THR HG2 H 1.427 0.020 1 1037 102 102 THR C C 174.325 0.3 1 1038 102 102 THR CA C 61.966 0.3 1 1039 102 102 THR CB C 70.040 0.3 1 1040 102 102 THR CG2 C 21.890 0.3 1 1041 102 102 THR N N 112.046 0.3 1 1042 103 103 ALA H H 8.125 0.020 1 1043 103 103 ALA HA H 4.054 0.020 1 1044 103 103 ALA HB H 1.388 0.020 1 1045 103 103 ALA C C 177.585 0.3 1 1046 103 103 ALA CA C 53.620 0.3 1 1047 103 103 ALA CB C 19.220 0.3 1 1048 103 103 ALA N N 123.014 0.3 1 1049 104 104 VAL H H 7.613 0.020 1 1050 104 104 VAL HA H 4.186 0.020 1 1051 104 104 VAL HB H 2.038 0.020 1 1052 104 104 VAL HG1 H 0.939 0.020 1 1053 104 104 VAL HG2 H 0.939 0.020 1 1054 104 104 VAL C C 175.927 0.3 1 1055 104 104 VAL CA C 60.541 0.3 1 1056 104 104 VAL CB C 33.672 0.3 1 1057 104 104 VAL CG1 C 20.533 0.3 1 1058 104 104 VAL CG2 C 20.533 0.3 1 1059 104 104 VAL N N 114.366 0.3 1 1060 105 105 ALA H H 8.912 0.020 1 1061 105 105 ALA HA H 4.443 0.020 1 1062 105 105 ALA HB H 1.381 0.020 1 1063 105 105 ALA C C 176.542 0.3 1 1064 105 105 ALA CA C 51.653 0.3 1 1065 105 105 ALA CB C 19.898 0.3 1 1066 105 105 ALA N N 128.169 0.3 1 1067 106 106 LEU H H 8.539 0.020 1 1068 106 106 LEU HA H 4.548 0.020 1 1069 106 106 LEU HB2 H 1.859 0.020 1 1070 106 106 LEU HB3 H 1.859 0.020 1 1071 106 106 LEU HD1 H 0.829 0.020 1 1072 106 106 LEU HD2 H 0.922 0.020 1 1073 106 106 LEU HG H 1.619 0.020 1 1074 106 106 LEU C C 174.959 0.3 1 1075 106 106 LEU CA C 55.384 0.3 1 1076 106 106 LEU CB C 42.900 0.3 1 1077 106 106 LEU CD1 C 24.670 0.3 1 1078 106 106 LEU CD2 C 24.670 0.3 1 1079 106 106 LEU CG C 28.223 0.3 1 1080 106 106 LEU N N 125.181 0.3 1 1081 107 107 GLU H H 9.027 0.020 1 1082 107 107 GLU HA H 4.860 0.020 1 1083 107 107 GLU HB2 H 2.017 0.020 2 1084 107 107 GLU HB3 H 1.933 0.020 2 1085 107 107 GLU HG2 H 2.258 0.020 1 1086 107 107 GLU HG3 H 2.258 0.020 1 1087 107 107 GLU C C 173.431 0.3 1 1088 107 107 GLU CA C 55.656 0.3 1 1089 107 107 GLU CB C 29.126 0.3 1 1090 107 107 GLU CG C 36.742 0.3 1 1091 107 107 GLU N N 129.975 0.3 1 1092 108 108 ALA H H 8.918 0.020 1 1093 108 108 ALA HA H 4.860 0.020 1 1094 108 108 ALA HB H 1.467 0.020 1 1095 108 108 ALA C C 174.678 0.3 1 1096 108 108 ALA CA C 50.092 0.3 1 1097 108 108 ALA CB C 22.205 0.3 1 1098 108 108 ALA N N 128.746 0.3 1 1099 109 109 HIS H H 9.680 0.020 1 1100 109 109 HIS HA H 4.518 0.020 1 1101 109 109 HIS HB2 H 3.315 0.020 2 1102 109 109 HIS HB3 H 3.110 0.020 2 1103 109 109 HIS HD1 H 7.783 0.020 1 1104 109 109 HIS HE1 H 7.783 0.020 1 1105 109 109 HIS C C 173.115 0.3 1 1106 109 109 HIS CA C 53.824 0.3 1 1107 109 109 HIS CB C 30.415 0.3 1 1108 109 109 HIS N N 120.624 0.3 1 1109 110 110 GLU H H 7.976 0.020 1 1110 110 110 GLU HA H 4.573 0.020 1 1111 110 110 GLU HB2 H 2.193 0.020 1 1112 110 110 GLU HB3 H 2.193 0.020 1 1113 110 110 GLU HG2 H 1.902 0.020 1 1114 110 110 GLU HG3 H 1.902 0.020 1 1115 110 110 GLU C C 177.007 0.3 1 1116 110 110 GLU CA C 54.502 0.3 1 1117 110 110 GLU CB C 32.315 0.3 1 1118 110 110 GLU CG C 38.174 0.3 1 1119 110 110 GLU N N 116.405 0.3 1 1120 111 111 MET H H 9.633 0.020 1 1121 111 111 MET HA H 4.490 0.020 1 1122 111 111 MET HB2 H 2.192 0.020 2 1123 111 111 MET HB3 H 1.912 0.020 2 1124 111 111 MET HG2 H 2.606 0.020 1 1125 111 111 MET HG3 H 2.606 0.020 1 1126 111 111 MET C C 179.690 0.3 1 1127 111 111 MET CA C 58.098 0.3 1 1128 111 111 MET CB C 31.094 0.3 1 1129 111 111 MET CG C 32.369 0.3 1 1130 111 111 MET N N 123.858 0.3 1 1131 112 112 GLY H H 9.289 0.020 1 1132 112 112 GLY HA2 H 4.006 0.020 2 1133 112 112 GLY HA3 H 3.849 0.020 2 1134 112 112 GLY C C 176.542 0.3 1 1135 112 112 GLY CA C 47.039 0.3 1 1136 112 112 GLY N N 108.319 0.3 1 1137 113 113 ASP H H 7.815 0.020 1 1138 113 113 ASP HA H 4.150 0.020 1 1139 113 113 ASP HB2 H 2.588 0.020 2 1140 113 113 ASP HB3 H 2.448 0.020 2 1141 113 113 ASP C C 176.486 0.3 1 1142 113 113 ASP CA C 56.674 0.3 1 1143 113 113 ASP CB C 40.661 0.3 1 1144 113 113 ASP N N 119.889 0.3 1 1145 114 114 LEU H H 7.773 0.020 1 1146 114 114 LEU HA H 4.573 0.020 1 1147 114 114 LEU HB2 H 2.828 0.020 2 1148 114 114 LEU HB3 H 2.697 0.020 2 1149 114 114 LEU C C 175.909 0.3 1 1150 114 114 LEU CA C 53.281 0.3 1 1151 114 114 LEU CB C 38.422 0.3 1 1152 114 114 LEU N N 111.413 0.3 1 1153 115 115 ALA H H 7.625 0.020 1 1154 115 115 ALA C C 174.679 0.3 1 1155 115 115 ALA CA C 50.363 0.3 1 1156 115 115 ALA CB C 18.066 0.3 1 1157 115 115 ALA N N 123.014 0.3 1 1158 116 116 PRO HA H 4.358 0.020 1 1159 116 116 PRO HB2 H 2.391 0.020 1 1160 116 116 PRO HB3 H 2.391 0.020 1 1161 116 116 PRO HD2 H 3.962 0.020 1 1162 116 116 PRO HD3 H 3.962 0.020 1 1163 116 116 PRO HG2 H 1.929 0.020 1 1164 116 116 PRO HG3 H 1.929 0.020 1 1165 116 116 PRO C C 177.175 0.3 1 1166 116 116 PRO CA C 64.951 0.3 1 1167 116 116 PRO CB C 31.772 0.3 1 1168 116 116 PRO CD C 51.518 0.3 1 1169 116 116 PRO CG C 27.996 0.3 1 1170 117 117 LEU H H 7.226 0.020 1 1171 117 117 LEU HA H 4.107 0.020 1 1172 117 117 LEU HB2 H 1.449 0.020 2 1173 117 117 LEU HB3 H 0.785 0.020 2 1174 117 117 LEU HD1 H 0.603 0.020 1 1175 117 117 LEU HD2 H 0.603 0.020 1 1176 117 117 LEU HG H 1.389 0.020 1 1177 117 117 LEU C C 174.661 0.3 1 1178 117 117 LEU CA C 55.384 0.3 1 1179 117 117 LEU CB C 41.271 0.3 1 1180 117 117 LEU CD1 C 22.857 0.3 1 1181 117 117 LEU CD2 C 22.857 0.3 1 1182 117 117 LEU CG C 25.886 0.3 1 1183 117 117 LEU N N 115.913 0.3 1 1184 118 118 ALA H H 7.910 0.020 1 1185 118 118 ALA C C 182.819 0.3 1 1186 118 118 ALA CA C 54.095 0.3 1 1187 118 118 ALA CB C 21.187 0.3 1 1188 118 118 ALA N N 129.975 0.3 1 stop_ save_