data_25240 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Twinstar from Drosophila melanogastor ; _BMRB_accession_number 25240 _BMRB_flat_file_name bmr25240.str _Entry_type original _Submission_date 2014-09-20 _Accession_date 2014-09-20 _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 Shukla Vaibhav Kumar . 2 Maheshwari Diva . . 3 Kumar Dinesh . . 4 Arora Ashish . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 874 "13C chemical shifts" 652 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-21 original BMRB . stop_ _Original_release_date 2015-09-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution stucture and dynamics of Twinstar from Drosophila melanogastor ; _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 Maheshwari Diva . . 3 Jain Anupam . . 4 Tripathi Sarita . . 5 Kumar Dinesh . . 6 Arora Ashish . . stop_ _Journal_abbreviation 'Not known' _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 'Twinstar from Drosophila melanogastor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 17180.645 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MASGVTVSDVCKTTYEEIKK DKKHRYVIFYIRDEKQIDVE TVADRNAEYDQFLEDIQKCG PGECRYGLFDFEYMHQCQGT SESSKKQKLFLMSWCPDTAK VKKKMLYSSSFDALKKSLVG VQKYIQATDLSEASREAVEE KLRATDRQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 GLY 5 VAL 6 THR 7 VAL 8 SER 9 ASP 10 VAL 11 CYS 12 LYS 13 THR 14 THR 15 TYR 16 GLU 17 GLU 18 ILE 19 LYS 20 LYS 21 ASP 22 LYS 23 LYS 24 HIS 25 ARG 26 TYR 27 VAL 28 ILE 29 PHE 30 TYR 31 ILE 32 ARG 33 ASP 34 GLU 35 LYS 36 GLN 37 ILE 38 ASP 39 VAL 40 GLU 41 THR 42 VAL 43 ALA 44 ASP 45 ARG 46 ASN 47 ALA 48 GLU 49 TYR 50 ASP 51 GLN 52 PHE 53 LEU 54 GLU 55 ASP 56 ILE 57 GLN 58 LYS 59 CYS 60 GLY 61 PRO 62 GLY 63 GLU 64 CYS 65 ARG 66 TYR 67 GLY 68 LEU 69 PHE 70 ASP 71 PHE 72 GLU 73 TYR 74 MET 75 HIS 76 GLN 77 CYS 78 GLN 79 GLY 80 THR 81 SER 82 GLU 83 SER 84 SER 85 LYS 86 LYS 87 GLN 88 LYS 89 LEU 90 PHE 91 LEU 92 MET 93 SER 94 TRP 95 CYS 96 PRO 97 ASP 98 THR 99 ALA 100 LYS 101 VAL 102 LYS 103 LYS 104 LYS 105 MET 106 LEU 107 TYR 108 SER 109 SER 110 SER 111 PHE 112 ASP 113 ALA 114 LEU 115 LYS 116 LYS 117 SER 118 LEU 119 VAL 120 GLY 121 VAL 122 GLN 123 LYS 124 TYR 125 ILE 126 GLN 127 ALA 128 THR 129 ASP 130 LEU 131 SER 132 GLU 133 ALA 134 SER 135 ARG 136 GLU 137 ALA 138 VAL 139 GLU 140 GLU 141 LYS 142 LEU 143 ARG 144 ALA 145 THR 146 ASP 147 ARG 148 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MV2 "Solution Structure Of Twinstar From Drosophila Melanogastor" 100.00 148 100.00 100.00 2.37e-103 GB AAA19856 "cofilin/actin depolymerizing factor homolog [Drosophila melanogaster]" 100.00 148 100.00 100.00 2.37e-103 GB AAC46962 "twinstar [Drosophila melanogaster]" 100.00 148 100.00 100.00 2.37e-103 GB AAC46963 "twinstar [Drosophila melanogaster]" 100.00 148 100.00 100.00 2.37e-103 GB AAF47146 "twinstar [Drosophila melanogaster]" 100.00 148 100.00 100.00 2.37e-103 GB AAR09835 "similar to Drosophila melanogaster tsr, partial [Drosophila yakuba]" 100.00 148 100.00 100.00 2.37e-103 REF NP_477034 "twinstar [Drosophila melanogaster]" 100.00 148 100.00 100.00 2.37e-103 REF XP_001360888 "GA18060 [Drosophila pseudoobscura pseudoobscura]" 99.32 154 99.32 100.00 3.03e-102 REF XP_001648106 "AAEL003957-PC [Aedes aegypti]" 100.00 148 97.30 97.97 2.84e-100 REF XP_001648107 "AAEL003957-PA [Aedes aegypti]" 100.00 148 97.30 97.97 2.84e-100 REF XP_001648108 "AAEL003957-PB [Aedes aegypti]" 100.00 148 97.30 97.97 2.84e-100 SP P45594 "RecName: Full=Cofilin/actin-depolymerizing factor homolog; AltName: Full=Protein D61; AltName: Full=Protein twinstar" 100.00 148 100.00 100.00 2.37e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $entity 'recombinant technology' . Escherichia coli . pETNH6 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 'ammonium sulfate' 0.1 '% w/v' '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.1 '% w/v' 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'ammonium sulfate' 0.1 '% w/v' '[U-99% 15N]' Glucose 0.2 '% w/v' '[U-100% 13C]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 '% w/v' 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'ammonium sulfate' 0.1 '% w/v' '[U-99% 15N]' Glucose 0.2 '% w/v' '[U-100% 13C]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 '% w/v' 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure Validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_HNCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCANH _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_CBHD_14 _Saveframe_category NMR_applied_experiment _Experiment_name CBHD _Sample_label $sample_3 save_ save_CBHE_15 _Saveframe_category NMR_applied_experiment _Experiment_name CBHE _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 '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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' HNCANH '3D HNCA' '3D HNCO' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' CBHD CBHE 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 entity _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 8.370 0.020 1 2 1 1 MET HA H 4.299 0.020 1 3 1 1 MET HB2 H 2.515 0.020 1 4 1 1 MET HB3 H 2.515 0.020 1 5 1 1 MET HG2 H 1.892 0.020 1 6 1 1 MET HG3 H 1.892 0.020 1 7 1 1 MET C C 175.960 0.3 1 8 1 1 MET CA C 55.304 0.3 1 9 1 1 MET CB C 32.870 0.3 1 10 1 1 MET CG C 31.725 0.3 1 11 1 1 MET N N 119.996 0.3 1 12 2 2 ALA H H 8.306 0.020 1 13 2 2 ALA HA H 4.207 0.020 1 14 2 2 ALA HB H 1.254 0.020 1 15 2 2 ALA C C 177.605 0.3 1 16 2 2 ALA CA C 52.442 0.3 1 17 2 2 ALA CB C 19.135 0.3 1 18 2 2 ALA N N 126.020 0.3 1 19 3 3 SER H H 8.183 0.020 1 20 3 3 SER HA H 4.282 0.020 1 21 3 3 SER HB2 H 3.760 0.020 2 22 3 3 SER HB3 H 3.718 0.020 2 23 3 3 SER C C 174.965 0.3 1 24 3 3 SER CA C 58.165 0.3 1 25 3 3 SER CB C 64.003 0.3 1 26 3 3 SER N N 115.214 0.3 1 27 4 4 GLY H H 8.279 0.020 1 28 4 4 GLY HA2 H 3.768 0.020 2 29 4 4 GLY HA3 H 3.930 0.020 2 30 4 4 GLY C C 173.716 0.3 1 31 4 4 GLY CA C 45.003 0.3 1 32 4 4 GLY N N 110.858 0.3 1 33 5 5 VAL H H 7.672 0.020 1 34 5 5 VAL HA H 4.128 0.020 1 35 5 5 VAL HB H 1.668 0.020 1 36 5 5 VAL HG1 H 0.586 0.020 1 37 5 5 VAL HG2 H 0.586 0.020 1 38 5 5 VAL C C 176.275 0.3 1 39 5 5 VAL CA C 62.172 0.3 1 40 5 5 VAL CB C 32.641 0.3 1 41 5 5 VAL CG1 C 21.653 0.3 1 42 5 5 VAL CG2 C 21.653 0.3 1 43 5 5 VAL N N 119.961 0.3 1 44 6 6 THR H H 7.756 0.020 1 45 6 6 THR HA H 4.487 0.020 1 46 6 6 THR HB H 4.196 0.020 1 47 6 6 THR HG2 H 1.092 0.020 1 48 6 6 THR C C 173.252 0.3 1 49 6 6 THR CA C 59.882 0.3 1 50 6 6 THR CB C 71.328 0.3 1 51 6 6 THR CG2 C 21.653 0.3 1 52 6 6 THR N N 115.480 0.3 1 53 7 7 VAL H H 8.447 0.020 1 54 7 7 VAL HA H 4.079 0.020 1 55 7 7 VAL HB H 1.776 0.020 1 56 7 7 VAL HG1 H 0.784 0.020 2 57 7 7 VAL HG2 H 0.545 0.020 2 58 7 7 VAL C C 176.215 0.3 1 59 7 7 VAL CA C 62.057 0.3 1 60 7 7 VAL CB C 33.557 0.3 1 61 7 7 VAL CG1 C 21.195 0.3 1 62 7 7 VAL CG2 C 21.195 0.3 1 63 7 7 VAL N N 120.262 0.3 1 64 8 8 SER H H 8.816 0.020 1 65 8 8 SER HA H 4.271 0.020 1 66 8 8 SER HB2 H 4.119 0.020 2 67 8 8 SER HB3 H 3.914 0.020 2 68 8 8 SER C C 175.892 0.3 1 69 8 8 SER CA C 58.738 0.3 1 70 8 8 SER CB C 64.003 0.3 1 71 8 8 SER N N 124.247 0.3 1 72 9 9 ASP H H 9.033 0.020 1 73 9 9 ASP HA H 4.309 0.020 1 74 9 9 ASP HB2 H 2.674 0.020 2 75 9 9 ASP HB3 H 2.611 0.020 2 76 9 9 ASP C C 178.492 0.3 1 77 9 9 ASP CA C 57.937 0.3 1 78 9 9 ASP CB C 40.195 0.3 1 79 9 9 ASP N N 125.176 0.3 1 80 10 10 VAL H H 8.078 0.020 1 81 10 10 VAL HA H 4.094 0.020 1 82 10 10 VAL HB H 2.099 0.020 1 83 10 10 VAL HG1 H 0.993 0.020 2 84 10 10 VAL HG2 H 1.014 0.020 2 85 10 10 VAL C C 179.439 0.3 1 86 10 10 VAL CA C 64.575 0.3 1 87 10 10 VAL CB C 31.496 0.3 1 88 10 10 VAL CG1 C 20.623 0.3 1 89 10 10 VAL CG2 C 22.454 0.3 1 90 10 10 VAL N N 117.738 0.3 1 91 11 11 CYS H H 7.922 0.020 1 92 11 11 CYS HA H 3.914 0.020 1 93 11 11 CYS HB2 H 3.042 0.020 1 94 11 11 CYS HB3 H 3.042 0.020 1 95 11 11 CYS C C 176.094 0.3 1 96 11 11 CYS CA C 63.774 0.3 1 97 11 11 CYS CB C 27.032 0.3 1 98 11 11 CYS N N 121.775 0.3 1 99 12 12 LYS H H 7.010 0.020 1 100 12 12 LYS HA H 3.914 0.020 1 101 12 12 LYS HB2 H 1.973 0.020 1 102 12 12 LYS HB3 H 1.973 0.020 1 103 12 12 LYS HG2 H 1.418 0.020 2 104 12 12 LYS HG3 H 1.356 0.020 2 105 12 12 LYS HD2 H 1.718 0.020 1 106 12 12 LYS HD3 H 1.718 0.020 1 107 12 12 LYS HE2 H 2.896 0.020 1 108 12 12 LYS HE3 H 2.896 0.020 1 109 12 12 LYS C C 179.097 0.3 1 110 12 12 LYS CA C 59.768 0.3 1 111 12 12 LYS CB C 31.954 0.3 1 112 12 12 LYS CG C 25.659 0.3 1 113 12 12 LYS CD C 29.551 0.3 1 114 12 12 LYS CE C 42.256 0.3 1 115 12 12 LYS N N 117.392 0.3 1 116 13 13 THR H H 8.309 0.020 1 117 13 13 THR HA H 3.951 0.020 1 118 13 13 THR HB H 4.094 0.020 1 119 13 13 THR HG2 H 1.163 0.020 1 120 13 13 THR C C 177.424 0.3 1 121 13 13 THR CA C 66.063 0.3 1 122 13 13 THR CB C 67.666 0.3 1 123 13 13 THR CG2 C 22.111 0.3 1 124 13 13 THR N N 114.683 0.3 1 125 14 14 THR H H 8.138 0.020 1 126 14 14 THR HA H 4.015 0.020 1 127 14 14 THR HB H 3.951 0.020 1 128 14 14 THR HG2 H 0.972 0.020 1 129 14 14 THR C C 176.316 0.3 1 130 14 14 THR CA C 67.208 0.3 1 131 14 14 THR CB C 62.515 0.3 1 132 14 14 THR CG2 C 22.454 0.3 1 133 14 14 THR N N 118.012 0.3 1 134 15 15 TYR H H 7.740 0.020 1 135 15 15 TYR HA H 4.137 0.020 1 136 15 15 TYR HB2 H 3.213 0.020 2 137 15 15 TYR HB3 H 3.093 0.020 2 138 15 15 TYR HD1 H 7.046 0.020 1 139 15 15 TYR HD2 H 7.046 0.020 1 140 15 15 TYR HE1 H 6.605 0.020 1 141 15 15 TYR HE2 H 6.605 0.020 1 142 15 15 TYR C C 177.081 0.3 1 143 15 15 TYR CA C 60.684 0.3 1 144 15 15 TYR CB C 38.364 0.3 1 145 15 15 TYR CD1 C 133.449 0.3 1 146 15 15 TYR CD2 C 133.447 0.3 1 147 15 15 TYR CE1 C 117.697 0.3 1 148 15 15 TYR CE2 C 117.697 0.3 1 149 15 15 TYR N N 120.840 0.3 1 150 16 16 GLU H H 8.182 0.020 1 151 16 16 GLU HA H 3.535 0.020 1 152 16 16 GLU HB2 H 2.057 0.020 2 153 16 16 GLU HB3 H 1.993 0.020 2 154 16 16 GLU HG2 H 2.321 0.020 1 155 16 16 GLU HG3 H 2.321 0.020 1 156 16 16 GLU C C 178.673 0.3 1 157 16 16 GLU CA C 59.997 0.3 1 158 16 16 GLU CB C 28.749 0.3 1 159 16 16 GLU CG C 36.304 0.3 1 160 16 16 GLU N N 120.605 0.3 1 161 17 17 GLU H H 7.839 0.020 1 162 17 17 GLU HA H 4.121 0.020 1 163 17 17 GLU HB2 H 1.598 0.020 1 164 17 17 GLU HB3 H 1.598 0.020 1 165 17 17 GLU HG2 H 2.535 0.020 1 166 17 17 GLU HG3 H 2.535 0.020 1 167 17 17 GLU C C 179.399 0.3 1 168 17 17 GLU CA C 58.852 0.3 1 169 17 17 GLU CB C 29.436 0.3 1 170 17 17 GLU CG C 36.647 0.3 1 171 17 17 GLU N N 117.384 0.3 1 172 18 18 ILE H H 7.558 0.020 1 173 18 18 ILE HA H 3.533 0.020 1 174 18 18 ILE HB H 1.814 0.020 1 175 18 18 ILE HG12 H 1.887 0.020 2 176 18 18 ILE HG13 H 1.482 0.020 2 177 18 18 ILE HG2 H 0.751 0.020 1 178 18 18 ILE HD1 H 0.519 0.020 1 179 18 18 ILE C C 177.081 0.3 1 180 18 18 ILE CA C 66.292 0.3 1 181 18 18 ILE CB C 38.478 0.3 1 182 18 18 ILE CG1 C 29.551 0.3 1 183 18 18 ILE CG2 C 16.846 0.3 1 184 18 18 ILE CD1 C 13.412 0.3 1 185 18 18 ILE N N 118.004 0.3 1 186 19 19 LYS H H 8.387 0.020 1 187 19 19 LYS HA H 3.649 0.020 1 188 19 19 LYS HB2 H 1.525 0.020 1 189 19 19 LYS HB3 H 1.525 0.020 1 190 19 19 LYS HG2 H 1.063 0.020 1 191 19 19 LYS HG3 H 1.063 0.020 1 192 19 19 LYS HD2 H 1.206 0.020 1 193 19 19 LYS HD3 H 1.206 0.020 1 194 19 19 LYS HE2 H 2.759 0.020 1 195 19 19 LYS HE3 H 2.759 0.020 1 196 19 19 LYS C C 176.719 0.3 1 197 19 19 LYS CA C 59.081 0.3 1 198 19 19 LYS CB C 33.213 0.3 1 199 19 19 LYS CG C 23.942 0.3 1 200 19 19 LYS CD C 29.093 0.3 1 201 19 19 LYS CE C 42.027 0.3 1 202 19 19 LYS N N 121.213 0.3 1 203 20 20 LYS H H 8.608 0.020 1 204 20 20 LYS HA H 4.121 0.020 1 205 20 20 LYS HB2 H 1.630 0.020 1 206 20 20 LYS HB3 H 1.630 0.020 1 207 20 20 LYS HG2 H 0.780 0.020 1 208 20 20 LYS HG3 H 0.780 0.020 1 209 20 20 LYS HD2 H 1.251 0.020 1 210 20 20 LYS HD3 H 1.251 0.020 1 211 20 20 LYS HE2 H 2.801 0.020 1 212 20 20 LYS HE3 H 2.801 0.020 1 213 20 20 LYS C C 178.008 0.3 1 214 20 20 LYS CA C 57.937 0.3 1 215 20 20 LYS CB C 32.755 0.3 1 216 20 20 LYS CG C 24.743 0.3 1 217 20 20 LYS CD C 28.978 0.3 1 218 20 20 LYS CE C 41.912 0.3 1 219 20 20 LYS N N 115.307 0.3 1 220 21 21 ASP H H 6.395 0.020 1 221 21 21 ASP HA H 4.621 0.020 1 222 21 21 ASP HB2 H 2.579 0.020 1 223 21 21 ASP HB3 H 2.579 0.020 1 224 21 21 ASP C C 175.147 0.3 1 225 21 21 ASP CA C 54.732 0.3 1 226 21 21 ASP CB C 42.713 0.3 1 227 21 21 ASP N N 113.556 0.3 1 228 22 22 LYS H H 7.402 0.020 1 229 22 22 LYS HA H 3.781 0.020 1 230 22 22 LYS HB2 H 1.719 0.020 1 231 22 22 LYS HB3 H 1.719 0.020 1 232 22 22 LYS HG2 H 1.163 0.020 1 233 22 22 LYS HG3 H 1.163 0.020 1 234 22 22 LYS HD2 H 1.568 0.020 1 235 22 22 LYS HD3 H 1.568 0.020 1 236 22 22 LYS HE2 H 2.312 0.020 1 237 22 22 LYS HE3 H 2.312 0.020 1 238 22 22 LYS C C 176.900 0.3 1 239 22 22 LYS CA C 57.364 0.3 1 240 22 22 LYS CB C 28.864 0.3 1 241 22 22 LYS CG C 25.430 0.3 1 242 22 22 LYS CD C 27.605 0.3 1 243 22 22 LYS CE C 40.768 0.3 1 244 22 22 LYS N N 116.543 0.3 1 245 23 23 LYS H H 7.512 0.020 1 246 23 23 LYS HA H 3.554 0.020 1 247 23 23 LYS HB2 H 1.356 0.020 1 248 23 23 LYS HB3 H 1.356 0.020 1 249 23 23 LYS HG2 H 0.692 0.020 1 250 23 23 LYS HG3 H 0.692 0.020 1 251 23 23 LYS HD2 H 0.507 0.020 1 252 23 23 LYS HD3 H 0.507 0.020 1 253 23 23 LYS HE2 H 2.589 0.020 1 254 23 23 LYS HE3 H 2.589 0.020 1 255 23 23 LYS C C 175.106 0.3 1 256 23 23 LYS CA C 58.623 0.3 1 257 23 23 LYS CB C 34.015 0.3 1 258 23 23 LYS CG C 25.316 0.3 1 259 23 23 LYS CD C 29.093 0.3 1 260 23 23 LYS CE C 41.798 0.3 1 261 23 23 LYS N N 114.417 0.3 1 262 24 24 HIS H H 6.099 0.020 1 263 24 24 HIS HA H 3.788 0.020 1 264 24 24 HIS HB2 H 1.865 0.020 1 265 24 24 HIS HB3 H 1.865 0.020 1 266 24 24 HIS HD2 H 6.580 0.020 1 267 24 24 HIS C C 175.308 0.3 1 268 24 24 HIS CA C 51.298 0.3 1 269 24 24 HIS CB C 32.412 0.3 1 270 24 24 HIS CD2 C 117.475 0.3 1 271 24 24 HIS N N 108.361 0.3 1 272 25 25 ARG H H 8.066 0.020 1 273 25 25 ARG HA H 4.108 0.020 1 274 25 25 ARG HB2 H 1.231 0.020 1 275 25 25 ARG HB3 H 1.231 0.020 1 276 25 25 ARG HG2 H 0.579 0.020 1 277 25 25 ARG HG3 H 0.579 0.020 1 278 25 25 ARG HD2 H 2.080 0.020 1 279 25 25 ARG HD3 H 2.080 0.020 1 280 25 25 ARG C C 173.091 0.3 1 281 25 25 ARG CA C 55.189 0.3 1 282 25 25 ARG CB C 30.581 0.3 1 283 25 25 ARG CG C 23.942 0.3 1 284 25 25 ARG CD C 45.804 0.3 1 285 25 25 ARG N N 120.707 0.3 1 286 26 26 TYR H H 6.515 0.020 1 287 26 26 TYR HA H 5.066 0.020 1 288 26 26 TYR HB2 H 3.323 0.020 2 289 26 26 TYR HB3 H 2.681 0.020 2 290 26 26 TYR HD1 H 7.224 0.020 1 291 26 26 TYR HD2 H 7.224 0.020 1 292 26 26 TYR HE1 H 6.678 0.020 1 293 26 26 TYR HE2 H 6.678 0.020 1 294 26 26 TYR C C 172.224 0.3 1 295 26 26 TYR CA C 54.732 0.3 1 296 26 26 TYR CB C 41.111 0.3 1 297 26 26 TYR CD1 C 129.540 0.3 1 298 26 26 TYR CD2 C 129.540 0.3 1 299 26 26 TYR CE1 C 118.058 0.3 1 300 26 26 TYR CE2 C 118.058 0.3 1 301 26 26 TYR N N 106.634 0.3 1 302 27 27 VAL H H 8.843 0.020 1 303 27 27 VAL HA H 4.763 0.020 1 304 27 27 VAL HB H 1.524 0.020 1 305 27 27 VAL HG1 H 0.544 0.020 2 306 27 27 VAL HG2 H 0.294 0.020 2 307 27 27 VAL C C 173.514 0.3 1 308 27 27 VAL CA C 59.310 0.3 1 309 27 27 VAL CB C 36.189 0.3 1 310 27 27 VAL CG1 C 22.454 0.3 1 311 27 27 VAL CG2 C 22.454 0.3 1 312 27 27 VAL N N 116.941 0.3 1 313 28 28 ILE H H 8.915 0.020 1 314 28 28 ILE HA H 5.041 0.020 1 315 28 28 ILE HB H 1.942 0.020 1 316 28 28 ILE HG12 H 1.527 0.020 1 317 28 28 ILE HG13 H 1.527 0.020 1 318 28 28 ILE HG2 H 1.080 0.020 1 319 28 28 ILE HD1 H 0.737 0.020 1 320 28 28 ILE C C 175.590 0.3 1 321 28 28 ILE CA C 58.394 0.3 1 322 28 28 ILE CB C 38.135 0.3 1 323 28 28 ILE CG1 C 27.605 0.3 1 324 28 28 ILE CG2 C 17.876 0.3 1 325 28 28 ILE CD1 C 17.876 0.3 1 326 28 28 ILE N N 125.708 0.3 1 327 29 29 PHE H H 9.597 0.020 1 328 29 29 PHE HA H 5.860 0.020 1 329 29 29 PHE HB2 H 3.421 0.020 2 330 29 29 PHE HB3 H 3.054 0.020 2 331 29 29 PHE HD1 H 7.075 0.020 3 332 29 29 PHE HD2 H 7.077 0.020 3 333 29 29 PHE C C 173.958 0.3 1 334 29 29 PHE CA C 55.991 0.3 1 335 29 29 PHE CB C 42.599 0.3 1 336 29 29 PHE CD1 C 130.942 0.3 1 337 29 29 PHE CD2 C 130.942 0.3 1 338 29 29 PHE CE1 C 130.942 0.3 1 339 29 29 PHE CE2 C 130.942 0.3 1 340 29 29 PHE N N 125.649 0.3 1 341 30 30 TYR H H 9.556 0.020 1 342 30 30 TYR HA H 5.383 0.020 1 343 30 30 TYR HB2 H 2.838 0.020 1 344 30 30 TYR HB3 H 2.838 0.020 1 345 30 30 TYR HD1 H 6.916 0.020 1 346 30 30 TYR HD2 H 6.916 0.020 1 347 30 30 TYR HE1 H 6.583 0.020 1 348 30 30 TYR HE2 H 6.583 0.020 1 349 30 30 TYR C C 176.840 0.3 1 350 30 30 TYR CA C 54.503 0.3 1 351 30 30 TYR CB C 42.027 0.3 1 352 30 30 TYR CD1 C 128.632 0.3 1 353 30 30 TYR CD2 C 128.632 0.3 1 354 30 30 TYR CE1 C 119.188 0.3 1 355 30 30 TYR CE2 C 119.188 0.3 1 356 30 30 TYR N N 120.134 0.3 1 357 31 31 ILE H H 8.475 0.020 1 358 31 31 ILE HA H 4.081 0.020 1 359 31 31 ILE HB H 2.385 0.020 1 360 31 31 ILE HG12 H 1.139 0.020 1 361 31 31 ILE HG13 H 1.139 0.020 1 362 31 31 ILE HG2 H 0.294 0.020 1 363 31 31 ILE HD1 H -0.150 0.020 1 364 31 31 ILE C C 174.562 0.3 1 365 31 31 ILE CA C 61.141 0.3 1 366 31 31 ILE CB C 37.105 0.3 1 367 31 31 ILE CG1 C 25.659 0.3 1 368 31 31 ILE CG2 C 17.876 0.3 1 369 31 31 ILE CD1 C 14.671 0.3 1 370 31 31 ILE N N 118.577 0.3 1 371 32 32 ARG H H 8.994 0.020 1 372 32 32 ARG HA H 4.257 0.020 1 373 32 32 ARG HB2 H 2.118 0.020 2 374 32 32 ARG HB3 H 1.681 0.020 2 375 32 32 ARG HG2 H 1.273 0.020 2 376 32 32 ARG HG3 H 1.187 0.020 2 377 32 32 ARG HD2 H 3.155 0.020 1 378 32 32 ARG HD3 H 3.155 0.020 1 379 32 32 ARG C C 176.557 0.3 1 380 32 32 ARG CA C 55.304 0.3 1 381 32 32 ARG CB C 31.496 0.3 1 382 32 32 ARG CG C 26.804 0.3 1 383 32 32 ARG CD C 43.400 0.3 1 384 32 32 ARG N N 132.544 0.3 1 385 33 33 ASP H H 9.442 0.020 1 386 33 33 ASP HA H 4.257 0.020 1 387 33 33 ASP HB2 H 2.823 0.020 2 388 33 33 ASP HB3 H 2.475 0.020 2 389 33 33 ASP C C 173.615 0.3 1 390 33 33 ASP CA C 55.876 0.3 1 391 33 33 ASP CB C 39.966 0.3 1 392 33 33 ASP N N 128.042 0.3 1 393 34 34 GLU H H 8.532 0.020 1 394 34 34 GLU HA H 4.533 0.020 1 395 34 34 GLU HB2 H 2.057 0.020 2 396 34 34 GLU HB3 H 1.946 0.020 2 397 34 34 GLU HG2 H 3.212 0.020 1 398 34 34 GLU HG3 H 3.212 0.020 1 399 34 34 GLU C C 174.844 0.3 1 400 34 34 GLU CA C 58.394 0.3 1 401 34 34 GLU CB C 27.605 0.3 1 402 34 34 GLU CG C 36.990 0.3 1 403 34 34 GLU N N 108.952 0.3 1 404 35 35 LYS H H 7.911 0.020 1 405 35 35 LYS HA H 4.533 0.020 1 406 35 35 LYS HB2 H 2.185 0.020 1 407 35 35 LYS HB3 H 2.185 0.020 1 408 35 35 LYS HG2 H 1.312 0.020 1 409 35 35 LYS HG3 H 1.312 0.020 1 410 35 35 LYS HD2 H 1.577 0.020 1 411 35 35 LYS HD3 H 1.577 0.020 1 412 35 35 LYS HE2 H 2.840 0.020 1 413 35 35 LYS HE3 H 2.840 0.020 1 414 35 35 LYS C C 175.530 0.3 1 415 35 35 LYS CA C 57.364 0.3 1 416 35 35 LYS CB C 36.533 0.3 1 417 35 35 LYS CG C 24.171 0.3 1 418 35 35 LYS CD C 29.207 0.3 1 419 35 35 LYS CE C 42.141 0.3 1 420 35 35 LYS N N 114.285 0.3 1 421 36 36 GLN H H 7.483 0.020 1 422 36 36 GLN HA H 5.027 0.020 1 423 36 36 GLN HB2 H 1.709 0.020 2 424 36 36 GLN HB3 H 1.589 0.020 2 425 36 36 GLN HG2 H 1.933 0.020 1 426 36 36 GLN HG3 H 1.933 0.020 1 427 36 36 GLN C C 174.139 0.3 1 428 36 36 GLN CA C 54.503 0.3 1 429 36 36 GLN CB C 33.213 0.3 1 430 36 36 GLN CG C 34.701 0.3 1 431 36 36 GLN N N 118.851 0.3 1 432 37 37 ILE H H 9.208 0.020 1 433 37 37 ILE HA H 4.295 0.020 1 434 37 37 ILE HB H 1.550 0.020 1 435 37 37 ILE HG12 H 1.520 0.020 1 436 37 37 ILE HG13 H 1.520 0.020 1 437 37 37 ILE HG2 H 0.863 0.020 1 438 37 37 ILE HD1 H 0.863 0.020 1 439 37 37 ILE C C 173.333 0.3 1 440 37 37 ILE CA C 62.286 0.3 1 441 37 37 ILE CB C 38.021 0.3 1 442 37 37 ILE CG1 C 29.551 0.3 1 443 37 37 ILE CG2 C 18.791 0.3 1 444 37 37 ILE CD1 C 14.785 0.3 1 445 37 37 ILE N N 127.682 0.3 1 446 38 38 ASP H H 9.380 0.020 1 447 38 38 ASP HA H 5.037 0.020 1 448 38 38 ASP HB2 H 2.413 0.020 2 449 38 38 ASP HB3 H 2.090 0.020 2 450 38 38 ASP C C 175.147 0.3 1 451 38 38 ASP CA C 51.870 0.3 1 452 38 38 ASP CB C 45.918 0.3 1 453 38 38 ASP N N 128.702 0.3 1 454 39 39 VAL H H 8.769 0.020 1 455 39 39 VAL HA H 3.867 0.020 1 456 39 39 VAL HB H 1.804 0.020 1 457 39 39 VAL HG1 H 0.957 0.020 2 458 39 39 VAL HG2 H 0.553 0.020 2 459 39 39 VAL C C 175.268 0.3 1 460 39 39 VAL CA C 63.888 0.3 1 461 39 39 VAL CB C 33.671 0.3 1 462 39 39 VAL CG1 C 23.713 0.3 1 463 39 39 VAL CG2 C 21.653 0.3 1 464 39 39 VAL N N 122.387 0.3 1 465 40 40 GLU H H 9.512 0.020 1 466 40 40 GLU HA H 4.267 0.020 1 467 40 40 GLU HB2 H 1.548 0.020 1 468 40 40 GLU HB3 H 1.548 0.020 1 469 40 40 GLU HG2 H 1.791 0.020 1 470 40 40 GLU HG3 H 1.791 0.020 1 471 40 40 GLU C C 175.711 0.3 1 472 40 40 GLU CA C 57.708 0.3 1 473 40 40 GLU CB C 32.755 0.3 1 474 40 40 GLU CG C 37.219 0.3 1 475 40 40 GLU N N 128.576 0.3 1 476 41 41 THR H H 7.277 0.020 1 477 41 41 THR HA H 4.423 0.020 1 478 41 41 THR HB H 3.645 0.020 1 479 41 41 THR HG2 H 0.957 0.020 1 480 41 41 THR C C 171.559 0.3 1 481 41 41 THR CA C 61.256 0.3 1 482 41 41 THR CB C 71.901 0.3 1 483 41 41 THR CG2 C 21.767 0.3 1 484 41 41 THR N N 111.962 0.3 1 485 42 42 VAL H H 8.264 0.020 1 486 42 42 VAL HA H 4.243 0.020 1 487 42 42 VAL HB H 1.352 0.020 1 488 42 42 VAL HG1 H 0.408 0.020 2 489 42 42 VAL HG2 H 0.066 0.020 2 490 42 42 VAL C C 173.877 0.3 1 491 42 42 VAL CA C 60.684 0.3 1 492 42 42 VAL CB C 34.015 0.3 1 493 42 42 VAL CG1 C 20.852 0.3 1 494 42 42 VAL CG2 C 20.852 0.3 1 495 42 42 VAL N N 123.660 0.3 1 496 43 43 ALA H H 7.420 0.020 1 497 43 43 ALA HA H 4.436 0.020 1 498 43 43 ALA HB H 0.184 0.020 1 499 43 43 ALA C C 176.759 0.3 1 500 43 43 ALA CA C 50.153 0.3 1 501 43 43 ALA CB C 20.737 0.3 1 502 43 43 ALA N N 126.970 0.3 1 503 44 44 ASP H H 8.285 0.020 1 504 44 44 ASP HA H 4.575 0.020 1 505 44 44 ASP HB2 H 2.752 0.020 2 506 44 44 ASP HB3 H 2.586 0.020 2 507 44 44 ASP C C 175.771 0.3 1 508 44 44 ASP CA C 54.159 0.3 1 509 44 44 ASP CB C 41.798 0.3 1 510 44 44 ASP N N 120.831 0.3 1 511 45 45 ARG H H 8.020 0.020 1 512 45 45 ARG HA H 3.560 0.020 1 513 45 45 ARG HB2 H 1.788 0.020 2 514 45 45 ARG HB3 H 1.405 0.020 2 515 45 45 ARG HG2 H 0.913 0.020 2 516 45 45 ARG HG3 H 0.771 0.020 2 517 45 45 ARG HD2 H 2.567 0.020 1 518 45 45 ARG HD3 H 2.567 0.020 1 519 45 45 ARG C C 175.764 0.3 1 520 45 45 ARG CA C 56.792 0.3 1 521 45 45 ARG CB C 30.008 0.3 1 522 45 45 ARG CG C 24.629 0.3 1 523 45 45 ARG CD C 42.713 0.3 1 524 45 45 ARG N N 118.015 0.3 1 525 46 46 ASN H H 8.184 0.020 1 526 46 46 ASN HA H 4.654 0.020 1 527 46 46 ASN HB2 H 2.739 0.020 1 528 46 46 ASN HB3 H 2.739 0.020 1 529 46 46 ASN C C 175.090 0.3 1 530 46 46 ASN CA C 52.900 0.3 1 531 46 46 ASN CB C 37.792 0.3 1 532 46 46 ASN N N 113.620 0.3 1 533 47 47 ALA H H 7.515 0.020 1 534 47 47 ALA HA H 4.207 0.020 1 535 47 47 ALA HB H 1.370 0.020 1 536 47 47 ALA C C 176.472 0.3 1 537 47 47 ALA CA C 53.015 0.3 1 538 47 47 ALA CB C 20.966 0.3 1 539 47 47 ALA N N 124.076 0.3 1 540 48 48 GLU H H 8.327 0.020 1 541 48 48 GLU HA H 4.778 0.020 1 542 48 48 GLU HB2 H 1.989 0.020 1 543 48 48 GLU HB3 H 1.989 0.020 1 544 48 48 GLU HG2 H 2.435 0.020 2 545 48 48 GLU HG3 H 2.288 0.020 2 546 48 48 GLU C C 178.259 0.3 1 547 48 48 GLU CA C 54.732 0.3 1 548 48 48 GLU CB C 32.755 0.3 1 549 48 48 GLU CG C 36.418 0.3 1 550 48 48 GLU N N 117.871 0.3 1 551 49 49 TYR H H 9.164 0.020 1 552 49 49 TYR HA H 3.835 0.020 1 553 49 49 TYR HB2 H 2.812 0.020 1 554 49 49 TYR HB3 H 2.812 0.020 1 555 49 49 TYR HD1 H 7.217 0.020 1 556 49 49 TYR HD2 H 7.217 0.020 1 557 49 49 TYR C C 176.809 0.3 1 558 49 49 TYR CA C 62.744 0.3 1 559 49 49 TYR CB C 38.250 0.3 1 560 49 49 TYR CD1 C 131.910 0.3 1 561 49 49 TYR CD2 C 131.910 0.3 1 562 49 49 TYR N N 122.704 0.3 1 563 50 50 ASP H H 8.516 0.020 1 564 50 50 ASP HA H 4.137 0.020 1 565 50 50 ASP HB2 H 2.548 0.020 2 566 50 50 ASP HB3 H 2.435 0.020 2 567 50 50 ASP C C 178.832 0.3 1 568 50 50 ASP CA C 57.364 0.3 1 569 50 50 ASP CB C 39.737 0.3 1 570 50 50 ASP N N 114.152 0.3 1 571 51 51 GLN H H 7.290 0.020 1 572 51 51 GLN HA H 3.912 0.020 1 573 51 51 GLN HB2 H 1.377 0.020 1 574 51 51 GLN HB3 H 1.377 0.020 1 575 51 51 GLN HG2 H 2.541 0.020 2 576 51 51 GLN HG3 H 2.329 0.020 2 577 51 51 GLN C C 177.180 0.3 1 578 51 51 GLN CA C 58.852 0.3 1 579 51 51 GLN CB C 28.864 0.3 1 580 51 51 GLN CG C 35.045 0.3 1 581 51 51 GLN N N 120.262 0.3 1 582 52 52 PHE H H 6.926 0.020 1 583 52 52 PHE HA H 3.247 0.020 1 584 52 52 PHE HB2 H 1.975 0.020 1 585 52 52 PHE HB3 H 1.975 0.020 1 586 52 52 PHE HD1 H 6.495 0.020 1 587 52 52 PHE HD2 H 6.495 0.020 1 588 52 52 PHE HE1 H 6.495 0.020 1 589 52 52 PHE HE2 H 6.495 0.020 1 590 52 52 PHE C C 175.697 0.3 1 591 52 52 PHE CA C 60.569 0.3 1 592 52 52 PHE CB C 38.593 0.3 1 593 52 52 PHE CD1 C 135.193 0.3 1 594 52 52 PHE CD2 C 135.193 0.3 1 595 52 52 PHE CE1 C 135.193 0.3 1 596 52 52 PHE CE2 C 135.193 0.3 1 597 52 52 PHE N N 121.864 0.3 1 598 53 53 LEU H H 7.382 0.020 1 599 53 53 LEU HA H 3.193 0.020 1 600 53 53 LEU HB2 H 1.440 0.020 1 601 53 53 LEU HB3 H 1.440 0.020 1 602 53 53 LEU HG H 1.440 0.020 1 603 53 53 LEU HD1 H 0.673 0.020 2 604 53 53 LEU HD2 H 0.397 0.020 2 605 53 53 LEU C C 179.877 0.3 1 606 53 53 LEU CA C 56.449 0.3 1 607 53 53 LEU CB C 41.340 0.3 1 608 53 53 LEU CG C 26.231 0.3 1 609 53 53 LEU CD1 C 24.972 0.3 1 610 53 53 LEU CD2 C 21.996 0.3 1 611 53 53 LEU N N 116.512 0.3 1 612 54 54 GLU H H 7.275 0.020 1 613 54 54 GLU HA H 3.658 0.020 1 614 54 54 GLU HB2 H 1.919 0.020 1 615 54 54 GLU HB3 H 1.919 0.020 1 616 54 54 GLU HG2 H 2.158 0.020 1 617 54 54 GLU HG3 H 2.158 0.020 1 618 54 54 GLU C C 179.371 0.3 1 619 54 54 GLU CA C 59.244 0.3 1 620 54 54 GLU CB C 28.978 0.3 1 621 54 54 GLU CG C 36.189 0.3 1 622 54 54 GLU N N 119.308 0.3 1 623 55 55 ASP H H 8.354 0.020 1 624 55 55 ASP HA H 4.313 0.020 1 625 55 55 ASP HB2 H 2.938 0.020 2 626 55 55 ASP HB3 H 2.769 0.020 2 627 55 55 ASP C C 179.573 0.3 1 628 55 55 ASP CA C 57.364 0.3 1 629 55 55 ASP CB C 40.195 0.3 1 630 55 55 ASP N N 119.986 0.3 1 631 56 56 ILE H H 8.093 0.020 1 632 56 56 ILE HA H 3.473 0.020 1 633 56 56 ILE HB H 1.960 0.020 1 634 56 56 ILE HG12 H 1.366 0.020 1 635 56 56 ILE HG13 H 1.366 0.020 1 636 56 56 ILE HG2 H 0.567 0.020 1 637 56 56 ILE HD1 H 0.702 0.020 1 638 56 56 ILE C C 173.674 0.3 1 639 56 56 ILE CA C 64.461 0.3 1 640 56 56 ILE CB C 36.762 0.3 1 641 56 56 ILE CG1 C 27.261 0.3 1 642 56 56 ILE CG2 C 14.671 0.3 1 643 56 56 ILE CD1 C 13.297 0.3 1 644 56 56 ILE N N 121.615 0.3 1 645 57 57 GLN H H 6.377 0.020 1 646 57 57 GLN HA H 4.147 0.020 1 647 57 57 GLN HB2 H 1.667 0.020 1 648 57 57 GLN HB3 H 1.667 0.020 1 649 57 57 GLN HG2 H 1.834 0.020 1 650 57 57 GLN HG3 H 1.834 0.020 1 651 57 57 GLN C C 178.899 0.3 1 652 57 57 GLN CA C 55.991 0.3 1 653 57 57 GLN CB C 31.954 0.3 1 654 57 57 GLN CG C 35.274 0.3 1 655 57 57 GLN N N 113.032 0.3 1 656 58 58 LYS H H 7.280 0.020 1 657 58 58 LYS HA H 3.842 0.020 1 658 58 58 LYS HB2 H 1.775 0.020 1 659 58 58 LYS HB3 H 1.775 0.020 1 660 58 58 LYS HG2 H 0.784 0.020 1 661 58 58 LYS HG3 H 0.784 0.020 1 662 58 58 LYS HD2 H 1.366 0.020 1 663 58 58 LYS HD3 H 1.366 0.020 1 664 58 58 LYS HE2 H 2.792 0.020 1 665 58 58 LYS HE3 H 2.792 0.020 1 666 58 58 LYS C C 176.674 0.3 1 667 58 58 LYS CA C 59.424 0.3 1 668 58 58 LYS CB C 32.069 0.3 1 669 58 58 LYS CG C 24.972 0.3 1 670 58 58 LYS CD C 29.436 0.3 1 671 58 58 LYS CE C 42.141 0.3 1 672 58 58 LYS N N 122.152 0.3 1 673 59 59 CYS H H 7.784 0.020 1 674 59 59 CYS HA H 4.146 0.020 1 675 59 59 CYS HB2 H 2.802 0.020 2 676 59 59 CYS HB3 H 2.598 0.020 2 677 59 59 CYS C C 175.056 0.3 1 678 59 59 CYS CA C 58.623 0.3 1 679 59 59 CYS CB C 26.918 0.3 1 680 59 59 CYS N N 116.543 0.3 1 681 60 60 GLY H H 7.542 0.020 1 682 60 60 GLY HA2 H 4.313 0.020 2 683 60 60 GLY HA3 H 3.904 0.020 2 684 60 60 GLY CA C 42.318 0.3 1 685 60 60 GLY N N 109.550 0.3 1 686 61 61 PRO HA H 4.228 0.020 1 687 61 61 PRO HB2 H 2.163 0.020 1 688 61 61 PRO HB3 H 2.163 0.020 1 689 61 61 PRO HG2 H 1.880 0.020 1 690 61 61 PRO HG3 H 1.880 0.020 1 691 61 61 PRO C C 177.079 0.3 1 692 61 61 PRO CA C 64.117 0.3 1 693 61 61 PRO CB C 31.496 0.3 1 694 61 61 PRO CG C 27.147 0.3 1 695 62 62 GLY H H 8.479 0.020 1 696 62 62 GLY HA2 H 4.032 0.020 2 697 62 62 GLY HA3 H 3.608 0.020 2 698 62 62 GLY C C 174.011 0.3 1 699 62 62 GLY CA C 45.117 0.3 1 700 62 62 GLY N N 106.490 0.3 1 701 63 63 GLU H H 7.001 0.020 1 702 63 63 GLU HA H 4.298 0.020 1 703 63 63 GLU HB2 H 1.401 0.020 1 704 63 63 GLU HB3 H 1.401 0.020 1 705 63 63 GLU HG2 H 1.916 0.020 1 706 63 63 GLU HG3 H 1.916 0.020 1 707 63 63 GLU C C 173.775 0.3 1 708 63 63 GLU CA C 54.961 0.3 1 709 63 63 GLU CB C 33.557 0.3 1 710 63 63 GLU CG C 36.189 0.3 1 711 63 63 GLU N N 119.465 0.3 1 712 64 64 CYS H H 6.622 0.020 1 713 64 64 CYS HA H 4.509 0.020 1 714 64 64 CYS HB2 H 2.228 0.020 2 715 64 64 CYS HB3 H 0.737 0.020 2 716 64 64 CYS C C 173.371 0.3 1 717 64 64 CYS CA C 55.647 0.3 1 718 64 64 CYS CB C 31.267 0.3 1 719 64 64 CYS N N 111.402 0.3 1 720 65 65 ARG H H 8.621 0.020 1 721 65 65 ARG HA H 4.674 0.020 1 722 65 65 ARG HB2 H 1.779 0.020 1 723 65 65 ARG HB3 H 1.779 0.020 1 724 65 65 ARG HG2 H 1.525 0.020 1 725 65 65 ARG HG3 H 1.525 0.020 1 726 65 65 ARG HD2 H 2.818 0.020 1 727 65 65 ARG HD3 H 2.818 0.020 1 728 65 65 ARG C C 174.820 0.3 1 729 65 65 ARG CA C 53.587 0.3 1 730 65 65 ARG CB C 39.737 0.3 1 731 65 65 ARG CD C 42.485 0.3 1 732 65 65 ARG N N 117.835 0.3 1 733 66 66 TYR H H 8.256 0.020 1 734 66 66 TYR HA H 6.075 0.020 1 735 66 66 TYR HB2 H 3.262 0.020 2 736 66 66 TYR HB3 H 2.951 0.020 2 737 66 66 TYR HD1 H 6.575 0.020 1 738 66 66 TYR HD2 H 6.575 0.020 1 739 66 66 TYR HE1 H 6.714 0.020 3 740 66 66 TYR HE2 H 6.714 0.020 3 741 66 66 TYR C C 176.068 0.3 1 742 66 66 TYR CA C 54.846 0.3 1 743 66 66 TYR CB C 41.798 0.3 1 744 66 66 TYR CD1 C 130.594 0.3 1 745 66 66 TYR CD2 C 130.594 0.3 1 746 66 66 TYR CE1 C 123.343 0.3 1 747 66 66 TYR CE2 C 123.343 0.3 1 748 66 66 TYR N N 114.314 0.3 1 749 67 67 GLY H H 9.831 0.020 1 750 67 67 GLY HA2 H 5.650 0.020 2 751 67 67 GLY HA3 H 3.809 0.020 2 752 67 67 GLY C C 170.135 0.3 1 753 67 67 GLY CA C 45.575 0.3 1 754 67 67 GLY N N 107.717 0.3 1 755 68 68 LEU H H 9.391 0.020 1 756 68 68 LEU HA H 5.494 0.020 1 757 68 68 LEU HB2 H 1.979 0.020 1 758 68 68 LEU HB3 H 1.979 0.020 1 759 68 68 LEU HG H 1.923 0.020 1 760 68 68 LEU HD1 H 1.520 0.020 1 761 68 68 LEU HD2 H 1.520 0.020 1 762 68 68 LEU C C 173.674 0.3 1 763 68 68 LEU CA C 53.324 0.3 1 764 68 68 LEU CB C 47.177 0.3 1 765 68 68 LEU CG C 27.376 0.3 1 766 68 68 LEU CD1 C 25.545 0.3 1 767 68 68 LEU CD2 C 25.545 0.3 1 768 68 68 LEU N N 127.494 0.3 1 769 69 69 PHE H H 8.017 0.020 1 770 69 69 PHE HA H 4.503 0.020 1 771 69 69 PHE HB2 H 3.823 0.020 1 772 69 69 PHE HB3 H 3.823 0.020 1 773 69 69 PHE HD1 H 7.013 0.020 1 774 69 69 PHE HD2 H 7.013 0.020 1 775 69 69 PHE HE1 H 7.013 0.020 1 776 69 69 PHE HE2 H 7.013 0.020 1 777 69 69 PHE C C 172.629 0.3 1 778 69 69 PHE CA C 56.334 0.3 1 779 69 69 PHE CB C 43.744 0.3 1 780 69 69 PHE CD1 C 132.436 0.3 1 781 69 69 PHE CD2 C 132.436 0.3 1 782 69 69 PHE CE1 C 132.436 0.3 1 783 69 69 PHE CE2 C 132.436 0.3 1 784 69 69 PHE N N 126.775 0.3 1 785 70 70 ASP H H 7.087 0.020 1 786 70 70 ASP HA H 4.791 0.020 1 787 70 70 ASP HB2 H 2.749 0.020 1 788 70 70 ASP HB3 H 2.749 0.020 1 789 70 70 ASP C C 172.764 0.3 1 790 70 70 ASP CA C 53.129 0.3 1 791 70 70 ASP CB C 40.653 0.3 1 792 70 70 ASP N N 126.639 0.3 1 793 71 71 PHE H H 8.656 0.020 1 794 71 71 PHE HA H 4.696 0.020 1 795 71 71 PHE HB2 H 3.717 0.020 2 796 71 71 PHE HB3 H 3.121 0.020 2 797 71 71 PHE HD1 H 6.982 0.020 3 798 71 71 PHE HD2 H 6.982 0.020 3 799 71 71 PHE HE1 H 6.982 0.020 1 800 71 71 PHE HE2 H 6.982 0.020 1 801 71 71 PHE C C 174.315 0.3 1 802 71 71 PHE CA C 58.852 0.3 1 803 71 71 PHE CB C 42.713 0.3 1 804 71 71 PHE CD1 C 133.299 0.3 1 805 71 71 PHE CD2 C 133.299 0.3 1 806 71 71 PHE CE1 C 133.299 0.3 1 807 71 71 PHE CE2 C 133.299 0.3 1 808 71 71 PHE N N 129.107 0.3 1 809 72 72 GLU H H 8.134 0.020 1 810 72 72 GLU HA H 5.151 0.020 1 811 72 72 GLU HB2 H 1.988 0.020 2 812 72 72 GLU HB3 H 1.759 0.020 2 813 72 72 GLU HG2 H 2.163 0.020 1 814 72 72 GLU HG3 H 2.163 0.020 1 815 72 72 GLU C C 175.090 0.3 1 816 72 72 GLU CA C 54.732 0.3 1 817 72 72 GLU CB C 31.840 0.3 1 818 72 72 GLU CG C 37.105 0.3 1 819 72 72 GLU N N 126.483 0.3 1 820 73 73 TYR H H 8.504 0.020 1 821 73 73 TYR HA H 4.675 0.020 1 822 73 73 TYR HB2 H 2.951 0.020 2 823 73 73 TYR HB3 H 2.875 0.020 2 824 73 73 TYR HD1 H 6.874 0.020 1 825 73 73 TYR HD2 H 6.874 0.020 1 826 73 73 TYR HE1 H 6.476 0.020 1 827 73 73 TYR HE2 H 6.476 0.020 1 828 73 73 TYR C C 172.966 0.3 1 829 73 73 TYR CA C 55.991 0.3 1 830 73 73 TYR CB C 39.509 0.3 1 831 73 73 TYR CD1 C 133.733 0.3 1 832 73 73 TYR CD2 C 133.733 0.3 1 833 73 73 TYR CE1 C 117.457 0.3 1 834 73 73 TYR CE2 C 117.457 0.3 1 835 73 73 TYR N N 120.527 0.3 1 836 74 74 MET H H 8.752 0.020 1 837 74 74 MET HA H 4.729 0.020 1 838 74 74 MET HB2 H 1.832 0.020 1 839 74 74 MET HB3 H 1.832 0.020 1 840 74 74 MET HG2 H 2.388 0.020 1 841 74 74 MET HG3 H 2.388 0.020 1 842 74 74 MET C C 176.000 0.3 1 843 74 74 MET CA C 53.930 0.3 1 844 74 74 MET CB C 32.412 0.3 1 845 74 74 MET CG C 31.840 0.3 1 846 74 74 MET N N 118.604 0.3 1 847 75 75 HIS H H 8.902 0.020 1 848 75 75 HIS HA H 4.675 0.020 1 849 75 75 HIS HB2 H 2.945 0.020 2 850 75 75 HIS HB3 H 2.750 0.020 2 851 75 75 HIS HD2 H 6.884 0.020 1 852 75 75 HIS C C 174.112 0.3 1 853 75 75 HIS CA C 55.762 0.3 1 854 75 75 HIS CB C 32.755 0.3 1 855 75 75 HIS CD2 C 118.937 0.3 1 856 75 75 HIS N N 123.810 0.3 1 857 76 76 GLN H H 8.292 0.020 1 858 76 76 GLN HA H 4.296 0.020 1 859 76 76 GLN HB2 H 1.832 0.020 2 860 76 76 GLN HB3 H 1.731 0.020 2 861 76 76 GLN HG2 H 2.070 0.020 2 862 76 76 GLN HG3 H 2.009 0.020 2 863 76 76 GLN C C 175.056 0.3 1 864 76 76 GLN CA C 55.189 0.3 1 865 76 76 GLN CB C 29.551 0.3 1 866 76 76 GLN CG C 33.557 0.3 1 867 76 76 GLN N N 125.324 0.3 1 868 77 77 CYS H H 8.420 0.020 1 869 77 77 CYS HA H 4.296 0.020 1 870 77 77 CYS HB2 H 2.786 0.020 2 871 77 77 CYS HB3 H 2.724 0.020 2 872 77 77 CYS C C 174.719 0.3 1 873 77 77 CYS CA C 58.738 0.3 1 874 77 77 CYS CB C 27.948 0.3 1 875 77 77 CYS N N 123.013 0.3 1 876 78 78 GLN H H 8.658 0.020 1 877 78 78 GLN HA H 4.100 0.020 1 878 78 78 GLN HB2 H 1.955 0.020 1 879 78 78 GLN HB3 H 1.955 0.020 1 880 78 78 GLN HG2 H 2.265 0.020 2 881 78 78 GLN HG3 H 2.264 0.020 2 882 78 78 GLN C C 176.910 0.3 1 883 78 78 GLN CA C 57.021 0.3 1 884 78 78 GLN CB C 28.635 0.3 1 885 78 78 GLN CG C 33.671 0.3 1 886 78 78 GLN N N 123.960 0.3 1 887 79 79 GLY H H 8.636 0.020 1 888 79 79 GLY HA2 H 3.994 0.020 2 889 79 79 GLY HA3 H 3.718 0.020 2 890 79 79 GLY C C 174.315 0.3 1 891 79 79 GLY CA C 45.460 0.3 1 892 79 79 GLY N N 111.173 0.3 1 893 80 80 THR H H 7.730 0.020 1 894 80 80 THR HA H 4.483 0.020 1 895 80 80 THR HB H 4.234 0.020 1 896 80 80 THR HG2 H 1.046 0.020 1 897 80 80 THR C C 174.483 0.3 1 898 80 80 THR CA C 60.912 0.3 1 899 80 80 THR CB C 70.413 0.3 1 900 80 80 THR CG2 C 21.310 0.3 1 901 80 80 THR N N 111.761 0.3 1 902 81 81 SER H H 8.312 0.020 1 903 81 81 SER HA H 3.810 0.020 1 904 81 81 SER HB2 H 3.718 0.020 1 905 81 81 SER HB3 H 3.718 0.020 1 906 81 81 SER C C 174.517 0.3 1 907 81 81 SER CA C 58.738 0.3 1 908 81 81 SER CB C 63.545 0.3 1 909 81 81 SER N N 116.277 0.3 1 910 82 82 GLU H H 8.058 0.020 1 911 82 82 GLU HA H 4.249 0.020 1 912 82 82 GLU HB2 H 1.925 0.020 2 913 82 82 GLU HB3 H 1.819 0.020 2 914 82 82 GLU HG2 H 2.121 0.020 1 915 82 82 GLU HG3 H 2.121 0.020 1 916 82 82 GLU C C 176.202 0.3 1 917 82 82 GLU CA C 56.449 0.3 1 918 82 82 GLU CB C 30.695 0.3 1 919 82 82 GLU CG C 36.075 0.3 1 920 82 82 GLU N N 121.911 0.3 1 921 83 83 SER H H 8.355 0.020 1 922 83 83 SER HA H 4.292 0.020 1 923 83 83 SER HB2 H 3.641 0.020 1 924 83 83 SER HB3 H 3.641 0.020 1 925 83 83 SER C C 174.146 0.3 1 926 83 83 SER CA C 58.165 0.3 1 927 83 83 SER CB C 64.461 0.3 1 928 83 83 SER N N 117.340 0.3 1 929 84 84 SER H H 8.435 0.020 1 930 84 84 SER HA H 4.734 0.020 1 931 84 84 SER HB2 H 3.638 0.020 2 932 84 84 SER HB3 H 3.671 0.020 2 933 84 84 SER C C 173.236 0.3 1 934 84 84 SER CA C 57.708 0.3 1 935 84 84 SER CB C 64.919 0.3 1 936 84 84 SER N N 117.340 0.3 1 937 85 85 LYS H H 8.274 0.020 1 938 85 85 LYS HA H 4.455 0.020 1 939 85 85 LYS HB2 H 1.589 0.020 1 940 85 85 LYS HB3 H 1.589 0.020 1 941 85 85 LYS HG2 H 1.190 0.020 1 942 85 85 LYS HG3 H 1.190 0.020 1 943 85 85 LYS HD2 H 1.483 0.020 1 944 85 85 LYS HD3 H 1.483 0.020 1 945 85 85 LYS HE2 H 2.767 0.020 1 946 85 85 LYS HE3 H 2.767 0.020 1 947 85 85 LYS C C 176.236 0.3 1 948 85 85 LYS CA C 56.677 0.3 1 949 85 85 LYS CB C 32.755 0.3 1 950 85 85 LYS CG C 24.972 0.3 1 951 85 85 LYS CD C 28.978 0.3 1 952 85 85 LYS CE C 41.912 0.3 1 953 85 85 LYS N N 123.283 0.3 1 954 86 86 LYS H H 8.590 0.020 1 955 86 86 LYS HA H 4.305 0.020 1 956 86 86 LYS HB2 H 1.648 0.020 1 957 86 86 LYS HB3 H 1.648 0.020 1 958 86 86 LYS HG2 H 0.648 0.020 1 959 86 86 LYS HG3 H 0.648 0.020 1 960 86 86 LYS HD2 H 1.253 0.020 2 961 86 86 LYS HD3 H 1.057 0.020 2 962 86 86 LYS HE2 H 2.738 0.020 1 963 86 86 LYS HE3 H 2.738 0.020 1 964 86 86 LYS C C 174.753 0.3 1 965 86 86 LYS CA C 54.388 0.3 1 966 86 86 LYS CB C 34.358 0.3 1 967 86 86 LYS CG C 22.683 0.3 1 968 86 86 LYS CD C 24.858 0.3 1 969 86 86 LYS CE C 42.027 0.3 1 970 86 86 LYS N N 125.176 0.3 1 971 87 87 GLN H H 7.946 0.020 1 972 87 87 GLN HA H 5.169 0.020 1 973 87 87 GLN HB2 H 1.843 0.020 1 974 87 87 GLN HB3 H 1.843 0.020 1 975 87 87 GLN HG2 H 2.107 0.020 1 976 87 87 GLN HG3 H 2.107 0.020 1 977 87 87 GLN C C 175.562 0.3 1 978 87 87 GLN CA C 54.617 0.3 1 979 87 87 GLN CB C 30.695 0.3 1 980 87 87 GLN CG C 33.557 0.3 1 981 87 87 GLN N N 118.903 0.3 1 982 88 88 LYS H H 9.258 0.020 1 983 88 88 LYS HA H 4.638 0.020 1 984 88 88 LYS HB2 H 2.448 0.020 1 985 88 88 LYS HB3 H 2.448 0.020 1 986 88 88 LYS HG2 H 1.440 0.020 1 987 88 88 LYS HG3 H 1.440 0.020 1 988 88 88 LYS HD2 H 1.869 0.020 2 989 88 88 LYS HD3 H 1.743 0.020 2 990 88 88 LYS C C 174.449 0.3 1 991 88 88 LYS CA C 55.418 0.3 1 992 88 88 LYS CB C 36.876 0.3 1 993 88 88 LYS CG C 25.316 0.3 1 994 88 88 LYS CD C 30.008 0.3 1 995 88 88 LYS N N 124.114 0.3 1 996 89 89 LEU H H 8.318 0.020 1 997 89 89 LEU HA H 5.120 0.020 1 998 89 89 LEU HB2 H 1.749 0.020 1 999 89 89 LEU HB3 H 1.749 0.020 1 1000 89 89 LEU HG H 1.378 0.020 1 1001 89 89 LEU HD1 H 0.795 0.020 1 1002 89 89 LEU HD2 H 0.795 0.020 1 1003 89 89 LEU C C 176.843 0.3 1 1004 89 89 LEU CA C 54.617 0.3 1 1005 89 89 LEU CB C 43.972 0.3 1 1006 89 89 LEU CG C 25.888 0.3 1 1007 89 89 LEU CD1 C 24.743 0.3 1 1008 89 89 LEU CD2 C 24.743 0.3 1 1009 89 89 LEU N N 123.968 0.3 1 1010 90 90 PHE H H 8.465 0.020 1 1011 90 90 PHE HA H 5.447 0.020 1 1012 90 90 PHE HB2 H 2.802 0.020 2 1013 90 90 PHE HB3 H 2.558 0.020 2 1014 90 90 PHE HD1 H 6.793 0.020 1 1015 90 90 PHE HD2 H 6.793 0.020 1 1016 90 90 PHE HE1 H 6.793 0.020 1 1017 90 90 PHE HE2 H 6.793 0.020 1 1018 90 90 PHE C C 171.786 0.3 1 1019 90 90 PHE CA C 55.189 0.3 1 1020 90 90 PHE CB C 43.286 0.3 1 1021 90 90 PHE CD1 C 133.189 0.3 1 1022 90 90 PHE CD2 C 133.189 0.3 1 1023 90 90 PHE CE1 C 133.189 0.3 1 1024 90 90 PHE CE2 C 133.189 0.3 1 1025 90 90 PHE N N 118.366 0.3 1 1026 91 91 LEU H H 8.437 0.020 1 1027 91 91 LEU HA H 5.505 0.020 1 1028 91 91 LEU HB2 H 2.004 0.020 1 1029 91 91 LEU HB3 H 2.004 0.020 1 1030 91 91 LEU HG H 1.549 0.020 1 1031 91 91 LEU HD1 H 0.886 0.020 2 1032 91 91 LEU HD2 H 0.732 0.020 2 1033 91 91 LEU C C 174.449 0.3 1 1034 91 91 LEU CA C 52.900 0.3 1 1035 91 91 LEU CB C 47.177 0.3 1 1036 91 91 LEU CG C 25.545 0.3 1 1037 91 91 LEU CD1 C 23.942 0.3 1 1038 91 91 LEU CD2 C 23.942 0.3 1 1039 91 91 LEU N N 121.719 0.3 1 1040 92 92 MET H H 10.273 0.020 1 1041 92 92 MET HA H 6.176 0.020 1 1042 92 92 MET HB2 H 2.234 0.020 1 1043 92 92 MET HB3 H 2.234 0.020 1 1044 92 92 MET HG2 H 2.372 0.020 1 1045 92 92 MET HG3 H 2.372 0.020 1 1046 92 92 MET C C 176.169 0.3 1 1047 92 92 MET CA C 53.015 0.3 1 1048 92 92 MET CB C 39.623 0.3 1 1049 92 92 MET CG C 31.496 0.3 1 1050 92 92 MET N N 126.389 0.3 1 1051 93 93 SER H H 9.038 0.020 1 1052 93 93 SER HA H 4.885 0.020 1 1053 93 93 SER HB2 H 3.079 0.020 2 1054 93 93 SER HB3 H 2.840 0.020 2 1055 93 93 SER C C 172.225 0.3 1 1056 93 93 SER CA C 56.563 0.3 1 1057 93 93 SER CB C 63.545 0.3 1 1058 93 93 SER N N 120.841 0.3 1 1059 94 94 TRP H H 9.001 0.020 1 1060 94 94 TRP HA H 5.147 0.020 1 1061 94 94 TRP HB2 H 2.894 0.020 1 1062 94 94 TRP HB3 H 2.894 0.020 1 1063 94 94 TRP C C 173.270 0.3 1 1064 94 94 TRP CA C 54.961 0.3 1 1065 94 94 TRP CB C 30.695 0.3 1 1066 94 94 TRP N N 129.918 0.3 1 1067 95 95 CYS H H 7.319 0.020 1 1068 95 95 CYS HA H 4.821 0.020 1 1069 95 95 CYS HB2 H 2.529 0.020 2 1070 95 95 CYS HB3 H 2.199 0.020 2 1071 95 95 CYS CA C 53.813 0.3 1 1072 95 95 CYS N N 122.538 0.3 1 1073 96 96 PRO HA H 3.819 0.020 1 1074 96 96 PRO HB2 H 1.605 0.020 1 1075 96 96 PRO HB3 H 1.605 0.020 1 1076 96 96 PRO HG2 H 1.312 0.020 1 1077 96 96 PRO HG3 H 1.312 0.020 1 1078 96 96 PRO C C 177.888 0.3 1 1079 96 96 PRO CA C 61.828 0.3 1 1080 96 96 PRO CB C 31.840 0.3 1 1081 96 96 PRO CG C 24.858 0.3 1 1082 96 96 PRO CD C 26.918 0.3 1 1083 97 97 ASP H H 8.040 0.020 1 1084 97 97 ASP HA H 4.058 0.020 1 1085 97 97 ASP HB2 H 2.526 0.020 1 1086 97 97 ASP HB3 H 2.526 0.020 1 1087 97 97 ASP C C 176.809 0.3 1 1088 97 97 ASP CA C 56.906 0.3 1 1089 97 97 ASP CB C 40.882 0.3 1 1090 97 97 ASP N N 118.960 0.3 1 1091 98 98 THR H H 6.917 0.020 1 1092 98 98 THR HA H 3.856 0.020 1 1093 98 98 THR HB H 4.161 0.020 1 1094 98 98 THR HG2 H 1.112 0.020 1 1095 98 98 THR C C 174.921 0.3 1 1096 98 98 THR CA C 61.599 0.3 1 1097 98 98 THR CB C 68.925 0.3 1 1098 98 98 THR CG2 C 21.767 0.3 1 1099 98 98 THR N N 104.267 0.3 1 1100 99 99 ALA H H 7.496 0.020 1 1101 99 99 ALA HA H 4.016 0.020 1 1102 99 99 ALA HB H 0.841 0.020 1 1103 99 99 ALA C C 177.045 0.3 1 1104 99 99 ALA CA C 52.099 0.3 1 1105 99 99 ALA CB C 19.020 0.3 1 1106 99 99 ALA N N 125.807 0.3 1 1107 100 100 LYS H H 8.271 0.020 1 1108 100 100 LYS HA H 4.085 0.020 1 1109 100 100 LYS HB2 H 1.993 0.020 1 1110 100 100 LYS HB3 H 1.993 0.020 1 1111 100 100 LYS HG2 H 1.177 0.020 2 1112 100 100 LYS HG3 H 0.868 0.020 2 1113 100 100 LYS HD2 H 1.618 0.020 1 1114 100 100 LYS HD3 H 1.618 0.020 1 1115 100 100 LYS HE2 H 3.024 0.020 1 1116 100 100 LYS HE3 H 3.024 0.020 1 1117 100 100 LYS C C 178.832 0.3 1 1118 100 100 LYS CA C 56.334 0.3 1 1119 100 100 LYS CB C 32.527 0.3 1 1120 100 100 LYS CG C 25.659 0.3 1 1121 100 100 LYS CD C 28.864 0.3 1 1122 100 100 LYS CE C 43.515 0.3 1 1123 100 100 LYS N N 119.465 0.3 1 1124 101 101 VAL H H 8.518 0.020 1 1125 101 101 VAL HA H 3.397 0.020 1 1126 101 101 VAL HB H 1.974 0.020 1 1127 101 101 VAL HG1 H 0.993 0.020 2 1128 101 101 VAL HG2 H 0.886 0.020 2 1129 101 101 VAL C C 177.584 0.3 1 1130 101 101 VAL CA C 66.979 0.3 1 1131 101 101 VAL CB C 31.496 0.3 1 1132 101 101 VAL CG1 C 22.225 0.3 1 1133 101 101 VAL CG2 C 20.508 0.3 1 1134 101 101 VAL N N 123.351 0.3 1 1135 102 102 LYS H H 8.558 0.020 1 1136 102 102 LYS HA H 3.931 0.020 1 1137 102 102 LYS HB2 H 1.756 0.020 1 1138 102 102 LYS HB3 H 1.756 0.020 1 1139 102 102 LYS HG2 H 1.328 0.020 1 1140 102 102 LYS HG3 H 1.328 0.020 1 1141 102 102 LYS HD2 H 1.606 0.020 1 1142 102 102 LYS HD3 H 1.606 0.020 1 1143 102 102 LYS HE2 H 2.866 0.020 1 1144 102 102 LYS HE3 H 2.866 0.020 1 1145 102 102 LYS C C 179.540 0.3 1 1146 102 102 LYS CA C 59.882 0.3 1 1147 102 102 LYS CB C 32.298 0.3 1 1148 102 102 LYS CG C 25.430 0.3 1 1149 102 102 LYS CD C 29.207 0.3 1 1150 102 102 LYS CE C 42.027 0.3 1 1151 102 102 LYS N N 118.249 0.3 1 1152 103 103 LYS H H 6.854 0.020 1 1153 103 103 LYS HA H 4.118 0.020 1 1154 103 103 LYS HB2 H 1.972 0.020 1 1155 103 103 LYS HB3 H 1.972 0.020 1 1156 103 103 LYS HG2 H 1.606 0.020 1 1157 103 103 LYS HG3 H 1.606 0.020 1 1158 103 103 LYS HD2 H 1.803 0.020 1 1159 103 103 LYS HD3 H 1.803 0.020 1 1160 103 103 LYS HE2 H 2.951 0.020 1 1161 103 103 LYS HE3 H 2.951 0.020 1 1162 103 103 LYS C C 177.921 0.3 1 1163 103 103 LYS CA C 58.394 0.3 1 1164 103 103 LYS CB C 31.840 0.3 1 1165 103 103 LYS CG C 24.972 0.3 1 1166 103 103 LYS CD C 28.520 0.3 1 1167 103 103 LYS CE C 38.707 0.3 1 1168 103 103 LYS N N 118.668 0.3 1 1169 104 104 LYS H H 8.048 0.020 1 1170 104 104 LYS HA H 3.894 0.020 1 1171 104 104 LYS HB2 H 2.142 0.020 1 1172 104 104 LYS HB3 H 2.142 0.020 1 1173 104 104 LYS HG2 H 1.366 0.020 1 1174 104 104 LYS HG3 H 1.366 0.020 1 1175 104 104 LYS HD2 H 1.756 0.020 2 1176 104 104 LYS HD3 H 1.566 0.020 2 1177 104 104 LYS HE2 H 2.932 0.020 1 1178 104 104 LYS HE3 H 2.932 0.020 1 1179 104 104 LYS C C 180.011 0.3 1 1180 104 104 LYS CA C 60.684 0.3 1 1181 104 104 LYS CB C 31.725 0.3 1 1182 104 104 LYS CG C 26.117 0.3 1 1183 104 104 LYS CD C 29.551 0.3 1 1184 104 104 LYS CE C 42.942 0.3 1 1185 104 104 LYS N N 119.199 0.3 1 1186 105 105 MET H H 8.546 0.020 1 1187 105 105 MET HA H 4.121 0.020 1 1188 105 105 MET HB2 H 2.014 0.020 1 1189 105 105 MET HB3 H 2.014 0.020 1 1190 105 105 MET HG2 H 2.633 0.020 1 1191 105 105 MET HG3 H 2.633 0.020 1 1192 105 105 MET C C 178.899 0.3 1 1193 105 105 MET CA C 58.509 0.3 1 1194 105 105 MET CB C 32.069 0.3 1 1195 105 105 MET CG C 32.069 0.3 1 1196 105 105 MET N N 118.021 0.3 1 1197 106 106 LEU H H 7.674 0.020 1 1198 106 106 LEU HA H 4.036 0.020 1 1199 106 106 LEU HB2 H 1.605 0.020 2 1200 106 106 LEU HB3 H 1.627 0.020 2 1201 106 106 LEU HG H 1.627 0.020 1 1202 106 106 LEU HD1 H 0.738 0.020 2 1203 106 106 LEU HD2 H 0.644 0.020 2 1204 106 106 LEU C C 179.910 0.3 1 1205 106 106 LEU CA C 58.165 0.3 1 1206 106 106 LEU CB C 41.912 0.3 1 1207 106 106 LEU CG C 26.231 0.3 1 1208 106 106 LEU CD1 C 22.683 0.3 1 1209 106 106 LEU CD2 C 22.683 0.3 1 1210 106 106 LEU N N 122.895 0.3 1 1211 107 107 TYR H H 8.669 0.020 1 1212 107 107 TYR HA H 4.034 0.020 1 1213 107 107 TYR HB2 H 2.870 0.020 2 1214 107 107 TYR HB3 H 2.320 0.020 2 1215 107 107 TYR HD1 H 6.751 0.020 1 1216 107 107 TYR HD2 H 6.751 0.020 1 1217 107 107 TYR HE1 H 6.362 0.020 1 1218 107 107 TYR HE2 H 6.362 0.020 1 1219 107 107 TYR C C 181.360 0.3 1 1220 107 107 TYR CA C 60.912 0.3 1 1221 107 107 TYR CB C 37.677 0.3 1 1222 107 107 TYR CE1 C 117.784 0.3 1 1223 107 107 TYR CE2 C 117.784 0.3 1 1224 107 107 TYR N N 119.036 0.3 1 1225 108 108 SER H H 8.973 0.020 1 1226 108 108 SER HA H 4.324 0.020 1 1227 108 108 SER HB2 H 3.924 0.020 1 1228 108 108 SER HB3 H 3.924 0.020 1 1229 108 108 SER C C 178.023 0.3 1 1230 108 108 SER CA C 62.286 0.3 1 1231 108 108 SER CB C 63.545 0.3 1 1232 108 108 SER N N 118.372 0.3 1 1233 109 109 SER H H 8.353 0.020 1 1234 109 109 SER HA H 4.292 0.020 1 1235 109 109 SER HB2 H 3.930 0.020 2 1236 109 109 SER HB3 H 3.930 0.020 2 1237 109 109 SER C C 176.405 0.3 1 1238 109 109 SER CA C 61.370 0.3 1 1239 109 109 SER CB C 63.202 0.3 1 1240 109 109 SER N N 116.727 0.3 1 1241 110 110 SER H H 7.236 0.020 1 1242 110 110 SER HA H 4.549 0.020 1 1243 110 110 SER HB2 H 3.930 0.020 2 1244 110 110 SER HB3 H 3.608 0.020 2 1245 110 110 SER C C 172.899 0.3 1 1246 110 110 SER CA C 59.424 0.3 1 1247 110 110 SER CB C 62.973 0.3 1 1248 110 110 SER N N 115.229 0.3 1 1249 111 111 PHE H H 7.069 0.020 1 1250 111 111 PHE HA H 4.015 0.020 1 1251 111 111 PHE HB2 H 3.504 0.020 2 1252 111 111 PHE HB3 H 3.133 0.020 2 1253 111 111 PHE HD1 H 6.969 0.020 1 1254 111 111 PHE HD2 H 6.969 0.020 1 1255 111 111 PHE HE1 H 6.969 0.020 1 1256 111 111 PHE HE2 H 6.969 0.020 1 1257 111 111 PHE C C 177.483 0.3 1 1258 111 111 PHE CA C 57.708 0.3 1 1259 111 111 PHE CB C 38.364 0.3 1 1260 111 111 PHE CD1 C 133.411 0.3 1 1261 111 111 PHE CD2 C 133.411 0.3 1 1262 111 111 PHE CE1 C 133.411 0.3 1 1263 111 111 PHE CE2 C 133.411 0.3 1 1264 111 111 PHE N N 120.978 0.3 1 1265 112 112 ASP H H 8.305 0.020 1 1266 112 112 ASP HA H 3.753 0.020 1 1267 112 112 ASP HB2 H 2.442 0.020 2 1268 112 112 ASP HB3 H 2.283 0.020 2 1269 112 112 ASP C C 177.281 0.3 1 1270 112 112 ASP CA C 57.479 0.3 1 1271 112 112 ASP CB C 40.424 0.3 1 1272 112 112 ASP N N 116.485 0.3 1 1273 113 113 ALA H H 7.393 0.020 1 1274 113 113 ALA HA H 3.753 0.020 1 1275 113 113 ALA HB H 1.140 0.020 1 1276 113 113 ALA C C 180.416 0.3 1 1277 113 113 ALA CA C 54.846 0.3 1 1278 113 113 ALA CB C 17.075 0.3 1 1279 113 113 ALA N N 121.059 0.3 1 1280 114 114 LEU H H 6.647 0.020 1 1281 114 114 LEU HA H 3.632 0.020 1 1282 114 114 LEU HB2 H 1.448 0.020 1 1283 114 114 LEU HB3 H 1.448 0.020 1 1284 114 114 LEU HG H 1.134 0.020 1 1285 114 114 LEU HD1 H 0.575 0.020 2 1286 114 114 LEU HD2 H 0.017 0.020 2 1287 114 114 LEU C C 178.191 0.3 1 1288 114 114 LEU CA C 56.906 0.3 1 1289 114 114 LEU CB C 41.340 0.3 1 1290 114 114 LEU CG C 26.689 0.3 1 1291 114 114 LEU CD1 C 21.767 0.3 1 1292 114 114 LEU CD2 C 21.767 0.3 1 1293 114 114 LEU N N 118.535 0.3 1 1294 115 115 LYS H H 7.730 0.020 1 1295 115 115 LYS HA H 3.229 0.020 1 1296 115 115 LYS HB2 H 1.571 0.020 1 1297 115 115 LYS HB3 H 1.571 0.020 1 1298 115 115 LYS HG2 H 1.127 0.020 1 1299 115 115 LYS HG3 H 1.127 0.020 1 1300 115 115 LYS HD2 H 1.300 0.020 1 1301 115 115 LYS HD3 H 1.300 0.020 1 1302 115 115 LYS HE2 H 2.951 0.020 1 1303 115 115 LYS HE3 H 2.951 0.020 1 1304 115 115 LYS C C 179.877 0.3 1 1305 115 115 LYS CA C 59.424 0.3 1 1306 115 115 LYS CB C 31.954 0.3 1 1307 115 115 LYS CG C 24.514 0.3 1 1308 115 115 LYS CD C 29.322 0.3 1 1309 115 115 LYS CE C 43.400 0.3 1 1310 115 115 LYS N N 117.340 0.3 1 1311 116 116 LYS H H 7.714 0.020 1 1312 116 116 LYS HA H 3.700 0.020 1 1313 116 116 LYS HB2 H 1.580 0.020 1 1314 116 116 LYS HB3 H 1.580 0.020 1 1315 116 116 LYS HG2 H 1.184 0.020 1 1316 116 116 LYS HG3 H 1.184 0.020 1 1317 116 116 LYS HD2 H 1.334 0.020 1 1318 116 116 LYS HD3 H 1.334 0.020 1 1319 116 116 LYS HE2 H 2.762 0.020 1 1320 116 116 LYS HE3 H 2.762 0.020 1 1321 116 116 LYS C C 177.652 0.3 1 1322 116 116 LYS CA C 58.394 0.3 1 1323 116 116 LYS CB C 32.527 0.3 1 1324 116 116 LYS CG C 25.545 0.3 1 1325 116 116 LYS CD C 28.864 0.3 1 1326 116 116 LYS CE C 42.141 0.3 1 1327 116 116 LYS N N 116.144 0.3 1 1328 117 117 SER H H 6.957 0.020 1 1329 117 117 SER HA H 4.179 0.020 1 1330 117 117 SER HB2 H 3.547 0.020 1 1331 117 117 SER HB3 H 3.547 0.020 1 1332 117 117 SER C C 174.483 0.3 1 1333 117 117 SER CA C 60.912 0.3 1 1334 117 117 SER CB C 64.232 0.3 1 1335 117 117 SER N N 111.789 0.3 1 1336 118 118 LEU H H 6.997 0.020 1 1337 118 118 LEU HA H 3.922 0.020 1 1338 118 118 LEU HB2 H 1.290 0.020 1 1339 118 118 LEU HB3 H 1.290 0.020 1 1340 118 118 LEU HG H 0.886 0.020 1 1341 118 118 LEU HD1 H 0.383 0.020 2 1342 118 118 LEU HD2 H 0.138 0.020 2 1343 118 118 LEU C C 175.730 0.3 1 1344 118 118 LEU CA C 52.214 0.3 1 1345 118 118 LEU CB C 37.448 0.3 1 1346 118 118 LEU CG C 26.460 0.3 1 1347 118 118 LEU CD1 C 21.538 0.3 1 1348 118 118 LEU CD2 C 21.538 0.3 1 1349 118 118 LEU N N 122.293 0.3 1 1350 119 119 VAL H H 7.347 0.020 1 1351 119 119 VAL HA H 3.627 0.020 1 1352 119 119 VAL HB H 1.968 0.020 1 1353 119 119 VAL HG1 H 0.929 0.020 2 1354 119 119 VAL HG2 H 0.868 0.020 2 1355 119 119 VAL C C 178.697 0.3 1 1356 119 119 VAL CA C 64.919 0.3 1 1357 119 119 VAL CB C 31.382 0.3 1 1358 119 119 VAL CG1 C 21.538 0.3 1 1359 119 119 VAL CG2 C 20.623 0.3 1 1360 119 119 VAL N N 121.059 0.3 1 1361 120 120 GLY H H 9.077 0.020 1 1362 120 120 GLY HA2 H 4.249 0.020 2 1363 120 120 GLY HA3 H 3.700 0.020 2 1364 120 120 GLY C C 174.517 0.3 1 1365 120 120 GLY CA C 44.888 0.3 1 1366 120 120 GLY N N 117.377 0.3 1 1367 121 121 VAL H H 7.316 0.020 1 1368 121 121 VAL HA H 3.762 0.020 1 1369 121 121 VAL HB H 1.970 0.020 1 1370 121 121 VAL HG1 H 0.780 0.020 1 1371 121 121 VAL HG2 H 0.780 0.020 1 1372 121 121 VAL C C 175.966 0.3 1 1373 121 121 VAL CA C 64.117 0.3 1 1374 121 121 VAL CB C 31.611 0.3 1 1375 121 121 VAL CG1 C 22.797 0.3 1 1376 121 121 VAL CG2 C 22.797 0.3 1 1377 121 121 VAL N N 122.254 0.3 1 1378 122 122 GLN H H 8.678 0.020 1 1379 122 122 GLN HA H 4.253 0.020 1 1380 122 122 GLN HB2 H 2.142 0.020 2 1381 122 122 GLN HB3 H 1.831 0.020 2 1382 122 122 GLN HG2 H 2.293 0.020 1 1383 122 122 GLN HG3 H 2.293 0.020 1 1384 122 122 GLN C C 174.854 0.3 1 1385 122 122 GLN CA C 56.105 0.3 1 1386 122 122 GLN CB C 31.039 0.3 1 1387 122 122 GLN CG C 34.358 0.3 1 1388 122 122 GLN N N 123.484 0.3 1 1389 123 123 LYS H H 6.726 0.020 1 1390 123 123 LYS HA H 4.310 0.020 1 1391 123 123 LYS HB2 H 1.759 0.020 1 1392 123 123 LYS HB3 H 1.759 0.020 1 1393 123 123 LYS HG2 H 1.178 0.020 1 1394 123 123 LYS HG3 H 1.178 0.020 1 1395 123 123 LYS HD2 H 1.416 0.020 2 1396 123 123 LYS HD3 H 1.416 0.020 2 1397 123 123 LYS HE2 H 2.844 0.020 1 1398 123 123 LYS HE3 H 2.844 0.020 1 1399 123 123 LYS C C 173.000 0.3 1 1400 123 123 LYS CA C 53.358 0.3 1 1401 123 123 LYS CB C 34.816 0.3 1 1402 123 123 LYS CG C 24.057 0.3 1 1403 123 123 LYS CD C 28.177 0.3 1 1404 123 123 LYS CE C 43.515 0.3 1 1405 123 123 LYS N N 117.871 0.3 1 1406 124 124 TYR H H 8.441 0.020 1 1407 124 124 TYR HA H 5.899 0.020 1 1408 124 124 TYR HB2 H 2.989 0.020 2 1409 124 124 TYR HB3 H 2.813 0.020 2 1410 124 124 TYR HD1 H 6.971 0.020 1 1411 124 124 TYR HD2 H 6.971 0.020 1 1412 124 124 TYR HE1 H 6.531 0.020 1 1413 124 124 TYR HE2 H 6.531 0.020 1 1414 124 124 TYR C C 175.663 0.3 1 1415 124 124 TYR CA C 54.846 0.3 1 1416 124 124 TYR CB C 40.424 0.3 1 1417 124 124 TYR CD1 C 130.219 0.3 1 1418 124 124 TYR CD2 C 130.219 0.3 1 1419 124 124 TYR N N 123.352 0.3 1 1420 125 125 ILE H H 9.123 0.020 1 1421 125 125 ILE HA H 4.402 0.020 1 1422 125 125 ILE HB H 1.606 0.020 1 1423 125 125 ILE HG12 H 1.152 0.020 1 1424 125 125 ILE HG13 H 1.152 0.020 1 1425 125 125 ILE HG2 H 0.739 0.020 1 1426 125 125 ILE HD1 H 0.285 0.020 1 1427 125 125 ILE C C 174.348 0.3 1 1428 125 125 ILE CA C 59.882 0.3 1 1429 125 125 ILE CB C 42.256 0.3 1 1430 125 125 ILE CG1 C 27.490 0.3 1 1431 125 125 ILE CG2 C 17.189 0.3 1 1432 125 125 ILE CD1 C 13.183 0.3 1 1433 125 125 ILE N N 122.835 0.3 1 1434 126 126 GLN H H 8.916 0.020 1 1435 126 126 GLN HA H 4.877 0.020 1 1436 126 126 GLN HB2 H 1.924 0.020 1 1437 126 126 GLN HB3 H 1.924 0.020 1 1438 126 126 GLN HG2 H 2.184 0.020 1 1439 126 126 GLN HG3 H 2.184 0.020 1 1440 126 126 GLN C C 174.146 0.3 1 1441 126 126 GLN CA C 55.075 0.3 1 1442 126 126 GLN CB C 29.551 0.3 1 1443 126 126 GLN CG C 34.358 0.3 1 1444 126 126 GLN N N 126.869 0.3 1 1445 127 127 ALA H H 8.829 0.020 1 1446 127 127 ALA HA H 4.963 0.020 1 1447 127 127 ALA HB H 1.507 0.020 1 1448 127 127 ALA C C 176.539 0.3 1 1449 127 127 ALA CA C 50.954 0.3 1 1450 127 127 ALA CB C 21.882 0.3 1 1451 127 127 ALA N N 127.414 0.3 1 1452 128 128 THR H H 9.350 0.020 1 1453 128 128 THR HA H 3.994 0.020 1 1454 128 128 THR HB H 4.079 0.020 1 1455 128 128 THR HG2 H 0.925 0.020 1 1456 128 128 THR C C 172.933 0.3 1 1457 128 128 THR CA C 60.912 0.3 1 1458 128 128 THR CB C 70.527 0.3 1 1459 128 128 THR CG2 C 21.195 0.3 1 1460 128 128 THR N N 112.753 0.3 1 1461 129 129 ASP H H 7.602 0.020 1 1462 129 129 ASP HA H 4.578 0.020 1 1463 129 129 ASP HB2 H 2.844 0.020 2 1464 129 129 ASP HB3 H 2.610 0.020 2 1465 129 129 ASP C C 176.573 0.3 1 1466 129 129 ASP CA C 53.015 0.3 1 1467 129 129 ASP CB C 43.744 0.3 1 1468 129 129 ASP N N 118.551 0.3 1 1469 130 130 LEU H H 8.910 0.020 1 1470 130 130 LEU HA H 3.977 0.020 1 1471 130 130 LEU HB2 H 1.636 0.020 1 1472 130 130 LEU HB3 H 1.636 0.020 1 1473 130 130 LEU HG H 1.540 0.020 1 1474 130 130 LEU HD1 H 0.647 0.020 2 1475 130 130 LEU HD2 H 0.533 0.020 2 1476 130 130 LEU C C 179.202 0.3 1 1477 130 130 LEU CA C 58.051 0.3 1 1478 130 130 LEU CB C 41.569 0.3 1 1479 130 130 LEU CG C 27.147 0.3 1 1480 130 130 LEU CD1 C 23.713 0.3 1 1481 130 130 LEU CD2 C 23.713 0.3 1 1482 130 130 LEU N N 122.387 0.3 1 1483 131 131 SER H H 8.645 0.020 1 1484 131 131 SER HA H 3.856 0.020 1 1485 131 131 SER HB2 H 4.121 0.020 1 1486 131 131 SER HB3 H 4.121 0.020 1 1487 131 131 SER C C 177.180 0.3 1 1488 131 131 SER CA C 62.515 0.3 1 1489 131 131 SER CB C 68.352 0.3 1 1490 131 131 SER N N 116.410 0.3 1 1491 132 132 GLU H H 7.749 0.020 1 1492 132 132 GLU HA H 4.070 0.020 1 1493 132 132 GLU HB2 H 2.158 0.020 1 1494 132 132 GLU HB3 H 2.158 0.020 1 1495 132 132 GLU HG2 H 2.401 0.020 1 1496 132 132 GLU HG3 H 2.401 0.020 1 1497 132 132 GLU C C 175.427 0.3 1 1498 132 132 GLU CA C 57.021 0.3 1 1499 132 132 GLU CB C 31.039 0.3 1 1500 132 132 GLU CG C 36.876 0.3 1 1501 132 132 GLU N N 120.840 0.3 1 1502 133 133 ALA H H 7.347 0.020 1 1503 133 133 ALA HA H 4.351 0.020 1 1504 133 133 ALA HB H 1.132 0.020 1 1505 133 133 ALA C C 175.730 0.3 1 1506 133 133 ALA CA C 50.382 0.3 1 1507 133 133 ALA CB C 20.279 0.3 1 1508 133 133 ALA N N 117.182 0.3 1 1509 134 134 SER H H 7.061 0.020 1 1510 134 134 SER HA H 4.185 0.020 1 1511 134 134 SER HB2 H 3.951 0.020 1 1512 134 134 SER HB3 H 3.951 0.020 1 1513 134 134 SER C C 173.067 0.3 1 1514 134 134 SER CA C 58.509 0.3 1 1515 134 134 SER CB C 64.690 0.3 1 1516 134 134 SER N N 115.197 0.3 1 1517 135 135 ARG H H 8.961 0.020 1 1518 135 135 ARG HA H 4.185 0.020 1 1519 135 135 ARG HB2 H 1.566 0.020 2 1520 135 135 ARG HB3 H 1.565 0.020 2 1521 135 135 ARG HG2 H 1.463 0.020 1 1522 135 135 ARG HG3 H 1.463 0.020 1 1523 135 135 ARG HD2 H 3.018 0.020 1 1524 135 135 ARG HD3 H 3.018 0.020 1 1525 135 135 ARG C C 177.888 0.3 1 1526 135 135 ARG CA C 60.111 0.3 1 1527 135 135 ARG CB C 29.551 0.3 1 1528 135 135 ARG CG C 27.261 0.3 1 1529 135 135 ARG CD C 43.286 0.3 1 1530 135 135 ARG N N 122.190 0.3 1 1531 136 136 GLU H H 8.588 0.020 1 1532 136 136 GLU HA H 3.795 0.020 1 1533 136 136 GLU HB2 H 1.894 0.020 2 1534 136 136 GLU HB3 H 1.803 0.020 2 1535 136 136 GLU HG2 H 2.264 0.020 2 1536 136 136 GLU HG3 H 2.123 0.020 2 1537 136 136 GLU C C 178.865 0.3 1 1538 136 136 GLU CA C 59.997 0.3 1 1539 136 136 GLU CB C 28.749 0.3 1 1540 136 136 GLU CG C 36.990 0.3 1 1541 136 136 GLU N N 115.480 0.3 1 1542 137 137 ALA H H 7.578 0.020 1 1543 137 137 ALA HA H 3.922 0.020 1 1544 137 137 ALA HB H 1.269 0.020 1 1545 137 137 ALA C C 181.191 0.3 1 1546 137 137 ALA CA C 54.846 0.3 1 1547 137 137 ALA CB C 18.334 0.3 1 1548 137 137 ALA N N 123.947 0.3 1 1549 138 138 VAL H H 8.108 0.020 1 1550 138 138 VAL HA H 3.905 0.020 1 1551 138 138 VAL HB H 2.014 0.020 1 1552 138 138 VAL HG1 H 1.163 0.020 2 1553 138 138 VAL HG2 H 0.886 0.020 2 1554 138 138 VAL C C 177.584 0.3 1 1555 138 138 VAL CA C 66.635 0.3 1 1556 138 138 VAL CB C 31.039 0.3 1 1557 138 138 VAL CG1 C 22.225 0.3 1 1558 138 138 VAL CG2 C 20.508 0.3 1 1559 138 138 VAL N N 119.326 0.3 1 1560 139 139 GLU H H 8.248 0.020 1 1561 139 139 GLU HA H 4.071 0.020 1 1562 139 139 GLU HB2 H 1.988 0.020 2 1563 139 139 GLU HB3 H 1.766 0.020 2 1564 139 139 GLU HG2 H 3.016 0.020 2 1565 139 139 GLU HG3 H 2.972 0.020 2 1566 139 139 GLU C C 178.157 0.3 1 1567 139 139 GLU CA C 60.569 0.3 1 1568 139 139 GLU CB C 29.093 0.3 1 1569 139 139 GLU CG C 37.334 0.3 1 1570 139 139 GLU N N 119.418 0.3 1 1571 140 140 GLU H H 7.305 0.020 1 1572 140 140 GLU HA H 3.731 0.020 1 1573 140 140 GLU HB2 H 1.904 0.020 1 1574 140 140 GLU HB3 H 1.904 0.020 1 1575 140 140 GLU HG2 H 2.136 0.020 1 1576 140 140 GLU HG3 H 2.136 0.020 1 1577 140 140 GLU C C 179.202 0.3 1 1578 140 140 GLU CA C 59.424 0.3 1 1579 140 140 GLU CB C 29.093 0.3 1 1580 140 140 GLU CG C 35.846 0.3 1 1581 140 140 GLU N N 116.410 0.3 1 1582 141 141 LYS H H 7.292 0.020 1 1583 141 141 LYS HA H 3.930 0.020 1 1584 141 141 LYS HB2 H 2.053 0.020 1 1585 141 141 LYS HB3 H 2.053 0.020 1 1586 141 141 LYS HG2 H 1.401 0.020 1 1587 141 141 LYS HG3 H 1.401 0.020 1 1588 141 141 LYS HD2 H 1.719 0.020 1 1589 141 141 LYS HD3 H 1.719 0.020 1 1590 141 141 LYS HE2 H 2.920 0.020 1 1591 141 141 LYS HE3 H 2.920 0.020 1 1592 141 141 LYS C C 179.607 0.3 1 1593 141 141 LYS CA C 58.394 0.3 1 1594 141 141 LYS CB C 32.183 0.3 1 1595 141 141 LYS CG C 25.316 0.3 1 1596 141 141 LYS CD C 28.635 0.3 1 1597 141 141 LYS CE C 40.997 0.3 1 1598 141 141 LYS N N 118.210 0.3 1 1599 142 142 LEU H H 8.112 0.020 1 1600 142 142 LEU HA H 3.680 0.020 1 1601 142 142 LEU HB2 H 1.354 0.020 2 1602 142 142 LEU HB3 H 1.166 0.020 2 1603 142 142 LEU HG H 1.354 0.020 1 1604 142 142 LEU HD1 H 0.424 0.020 2 1605 142 142 LEU HD2 H 0.184 0.020 2 1606 142 142 LEU C C 178.663 0.3 1 1607 142 142 LEU CA C 57.364 0.3 1 1608 142 142 LEU CB C 40.424 0.3 1 1609 142 142 LEU CG C 26.002 0.3 1 1610 142 142 LEU CD1 C 22.683 0.3 1 1611 142 142 LEU CD2 C 22.683 0.3 1 1612 142 142 LEU N N 119.472 0.3 1 1613 143 143 ARG H H 7.832 0.020 1 1614 143 143 ARG HA H 3.960 0.020 1 1615 143 143 ARG HB2 H 1.589 0.020 1 1616 143 143 ARG HB3 H 1.589 0.020 1 1617 143 143 ARG HG2 H 1.312 0.020 1 1618 143 143 ARG HG3 H 1.312 0.020 1 1619 143 143 ARG HD2 H 2.951 0.020 1 1620 143 143 ARG HD3 H 2.951 0.020 1 1621 143 143 ARG C C 177.989 0.3 1 1622 143 143 ARG CA C 58.051 0.3 1 1623 143 143 ARG CB C 30.695 0.3 1 1624 143 143 ARG CG C 28.292 0.3 1 1625 143 143 ARG CD C 43.515 0.3 1 1626 143 143 ARG N N 117.384 0.3 1 1627 144 144 ALA H H 7.284 0.020 1 1628 144 144 ALA HA H 4.081 0.020 1 1629 144 144 ALA HB H 1.367 0.020 1 1630 144 144 ALA C C 178.697 0.3 1 1631 144 144 ALA CA C 53.930 0.3 1 1632 144 144 ALA CB C 18.791 0.3 1 1633 144 144 ALA N N 121.192 0.3 1 1634 145 145 THR H H 7.690 0.020 1 1635 145 145 THR HA H 4.270 0.020 1 1636 145 145 THR HB H 4.270 0.020 1 1637 145 145 THR HG2 H 1.154 0.020 1 1638 145 145 THR C C 174.787 0.3 1 1639 145 145 THR CA C 61.828 0.3 1 1640 145 145 THR CB C 68.925 0.3 1 1641 145 145 THR CG2 C 21.767 0.3 1 1642 145 145 THR N N 109.503 0.3 1 1643 146 146 ASP H H 7.873 0.020 1 1644 146 146 ASP HA H 4.544 0.020 1 1645 146 146 ASP HB2 H 2.584 0.020 1 1646 146 146 ASP HB3 H 2.584 0.020 1 1647 146 146 ASP C C 176.000 0.3 1 1648 146 146 ASP CA C 54.732 0.3 1 1649 146 146 ASP CB C 41.111 0.3 1 1650 146 146 ASP N N 122.786 0.3 1 1651 147 147 ARG H H 8.048 0.020 1 1652 147 147 ARG HA H 4.270 0.020 1 1653 147 147 ARG HB2 H 1.820 0.020 2 1654 147 147 ARG HB3 H 1.664 0.020 2 1655 147 147 ARG HG2 H 1.557 0.020 2 1656 147 147 ARG HG3 H 1.557 0.020 2 1657 147 147 ARG HD2 H 3.115 0.020 1 1658 147 147 ARG HD3 H 3.115 0.020 1 1659 147 147 ARG C C 175.427 0.3 1 1660 147 147 ARG CA C 56.105 0.3 1 1661 147 147 ARG CB C 30.695 0.3 1 1662 147 147 ARG CG C 26.918 0.3 1 1663 147 147 ARG CD C 43.400 0.3 1 1664 147 147 ARG N N 120.926 0.3 1 1665 148 148 GLN H H 7.940 0.020 1 1666 148 148 GLN HA H 4.050 0.020 1 1667 148 148 GLN HB2 H 2.015 0.020 2 1668 148 148 GLN HB3 H 1.832 0.020 2 1669 148 148 GLN HG2 H 2.199 0.020 1 1670 148 148 GLN HG3 H 2.199 0.020 1 1671 148 148 GLN CA C 54.708 0.3 1 1672 148 148 GLN N N 126.492 0.3 1 stop_ save_