data_19167 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural determination of the Citrus sinensis Poly(A)-Binding Protein CsPABP1 ; _BMRB_accession_number 19167 _BMRB_flat_file_name bmr19167.str _Entry_type original _Submission_date 2013-04-16 _Accession_date 2013-04-16 _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 Sforca Mauricio L. . 2 Domingues Mariane N. . 3 Zeri Ana C. . 4 Benedetti Celso E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 516 "13C chemical shifts" 447 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-14 original author . stop_ _Original_release_date 2014-04-14 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural determination of the Citrus sinensis Poly(A)-Binding Protein CsPABP1' _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 Sforca Mauricio L. . 2 Domingues Mariane N. . 3 Zeri Ana C. . 4 Benedetti Celso E. . stop_ _Journal_abbreviation 'To be Published' _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 CsPABP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CsPABP1 $CsPABP1 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_CsPABP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CsPABP1 _Molecular_mass 17187.258 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MGSDLEDMKKRLKEIEEEAG ALREMQAKVEKEMGAVQDSS STSATQAEKEEVDSRSIYVG NVDYACTPEEVQQHFQSCGT VNRVTILTDKFGQPKGFAYV EFVEIDAVQNALLLNETELH GRQLKVSAKRTNIPG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 SER 4 4 SER 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 SER 12 12 SER 13 13 GLY 14 14 LEU 15 15 VAL 16 16 PRO 17 17 ARG 18 18 GLY 19 19 SER 20 20 HIS 21 21 MET 22 22 GLY 23 23 SER 24 24 ASP 25 25 LEU 26 26 GLU 27 27 ASP 28 28 MET 29 29 LYS 30 30 LYS 31 31 ARG 32 32 LEU 33 33 LYS 34 34 GLU 35 35 ILE 36 36 GLU 37 37 GLU 38 38 GLU 39 39 ALA 40 40 GLY 41 41 ALA 42 42 LEU 43 43 ARG 44 44 GLU 45 45 MET 46 46 GLN 47 47 ALA 48 48 LYS 49 49 VAL 50 50 GLU 51 51 LYS 52 52 GLU 53 53 MET 54 54 GLY 55 55 ALA 56 56 VAL 57 57 GLN 58 58 ASP 59 59 SER 60 60 SER 61 61 SER 62 62 THR 63 63 SER 64 64 ALA 65 65 THR 66 66 GLN 67 67 ALA 68 68 GLU 69 69 LYS 70 70 GLU 71 71 GLU 72 72 VAL 73 73 ASP 74 74 SER 75 75 ARG 76 76 SER 77 77 ILE 78 78 TYR 79 79 VAL 80 80 GLY 81 81 ASN 82 82 VAL 83 83 ASP 84 84 TYR 85 85 ALA 86 86 CYS 87 87 THR 88 88 PRO 89 89 GLU 90 90 GLU 91 91 VAL 92 92 GLN 93 93 GLN 94 94 HIS 95 95 PHE 96 96 GLN 97 97 SER 98 98 CYS 99 99 GLY 100 100 THR 101 101 VAL 102 102 ASN 103 103 ARG 104 104 VAL 105 105 THR 106 106 ILE 107 107 LEU 108 108 THR 109 109 ASP 110 110 LYS 111 111 PHE 112 112 GLY 113 113 GLN 114 114 PRO 115 115 LYS 116 116 GLY 117 117 PHE 118 118 ALA 119 119 TYR 120 120 VAL 121 121 GLU 122 122 PHE 123 123 VAL 124 124 GLU 125 125 ILE 126 126 ASP 127 127 ALA 128 128 VAL 129 129 GLN 130 130 ASN 131 131 ALA 132 132 LEU 133 133 LEU 134 134 LEU 135 135 ASN 136 136 GLU 137 137 THR 138 138 GLU 139 139 LEU 140 140 HIS 141 141 GLY 142 142 ARG 143 143 GLN 144 144 LEU 145 145 LYS 146 146 VAL 147 147 SER 148 148 ALA 149 149 LYS 150 150 ARG 151 151 THR 152 152 ASN 153 153 ILE 154 154 PRO 155 155 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2M70 "Structural Determination Of The Citrus Sinensis Poly(a)-binding Protein Cspabp1" 100.00 155 100.00 100.00 6.62e-110 EMBL CAN77560 "hypothetical protein VITISV_031100 [Vitis vinifera]" 82.58 175 97.66 99.22 3.63e-85 GB EEF51643 "polyadenylate-binding protein, putative [Ricinus communis]" 85.16 231 96.97 99.24 8.25e-87 GB EOY22721 "RNA-binding family protein [Theobroma cacao]" 85.16 230 97.73 99.24 1.27e-87 GB ESR50273 "hypothetical protein CICLE_v10032621mg [Citrus clementina]" 85.16 222 100.00 100.00 9.29e-89 GB ESR50274 "hypothetical protein CICLE_v10032621mg [Citrus clementina]" 85.16 236 100.00 100.00 1.08e-88 GB KDO57709 "hypothetical protein CISIN_1g027515mg [Citrus sinensis]" 85.16 222 100.00 100.00 9.29e-89 REF XP_002511041 "polyadenylate-binding protein, putative [Ricinus communis]" 85.16 231 96.97 99.24 8.25e-87 REF XP_006437033 "hypothetical protein CICLE_v10032621mg [Citrus clementina]" 85.16 222 100.00 100.00 9.29e-89 REF XP_006437034 "hypothetical protein CICLE_v10032621mg [Citrus clementina]" 85.16 236 100.00 100.00 1.08e-88 REF XP_006485035 "PREDICTED: polyadenylate-binding protein 2 isoform X2 [Citrus sinensis]" 85.16 234 100.00 100.00 1.06e-88 REF XP_007038220 "RNA-binding family protein [Theobroma cacao]" 85.16 230 97.73 99.24 1.27e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CsPABP1 . . . . . . 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 $CsPABP1 'recombinant technology' . Escherichia coli . pET28a 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 $CsPABP1 0.6 mM '[U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CsPABP1 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CsPABP1 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.1B loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' '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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'HCN cryogenic probe' 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_3 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 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_2 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.70 . M pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCACO' '3D HNCO' '3D HCCH-TOCSY' '3D CCH-TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CsPABP1 _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 41 41 ALA H H 7.929 0.020 1 2 41 41 ALA HA H 4.053 0.020 1 3 41 41 ALA HB H 1.389 0.020 1 4 41 41 ALA C C 177.959 0.400 1 5 41 41 ALA CA C 52.695 0.400 1 6 41 41 ALA CB C 18.996 0.400 1 7 41 41 ALA N N 123.425 0.400 1 8 42 42 LEU H H 8.136 0.020 1 9 42 42 LEU HA H 4.319 0.020 1 10 42 42 LEU HB2 H 1.529 0.020 2 11 42 42 LEU HB3 H 1.573 0.020 2 12 42 42 LEU HG H 1.517 0.020 1 13 42 42 LEU HD1 H 0.865 0.020 1 14 42 42 LEU HD2 H 0.813 0.020 1 15 42 42 LEU C C 177.579 0.400 1 16 42 42 LEU CA C 55.743 0.400 1 17 42 42 LEU CB C 41.950 0.400 1 18 42 42 LEU CG C 26.749 0.400 1 19 42 42 LEU CD1 C 24.871 0.400 1 20 42 42 LEU CD2 C 23.396 0.400 1 21 42 42 LEU N N 120.311 0.400 1 22 43 43 ARG H H 8.050 0.020 1 23 43 43 ARG HA H 4.343 0.020 1 24 43 43 ARG HB2 H 1.912 0.020 2 25 43 43 ARG HB3 H 1.880 0.020 2 26 43 43 ARG HG2 H 1.551 0.020 2 27 43 43 ARG HG3 H 1.597 0.020 2 28 43 43 ARG HD3 H 3.166 0.020 2 29 43 43 ARG C C 177.096 0.400 1 30 43 43 ARG CA C 59.676 0.400 1 31 43 43 ARG CB C 32.908 0.400 1 32 43 43 ARG CG C 27.375 0.400 1 33 43 43 ARG CD C 42.975 0.400 1 34 43 43 ARG N N 121.516 0.400 1 35 45 45 MET H H 8.480 0.020 1 36 45 45 MET HA H 4.338 0.020 1 37 45 45 MET HB2 H 1.967 0.020 2 38 45 45 MET HB3 H 2.074 0.020 2 39 45 45 MET HG2 H 1.665 0.020 2 40 45 45 MET HG3 H 1.772 0.020 2 41 45 45 MET CA C 56.060 0.400 1 42 45 45 MET CB C 29.770 0.400 1 43 45 45 MET CG C 33.588 0.400 1 44 45 45 MET N N 119.460 0.400 1 45 46 46 GLN H H 8.430 0.020 1 46 46 46 GLN HA H 4.330 0.020 1 47 46 46 GLN HB2 H 1.970 0.020 2 48 46 46 GLN HB3 H 2.077 0.020 2 49 46 46 GLN HG3 H 2.342 0.020 2 50 46 46 GLN CA C 55.898 0.400 1 51 46 46 GLN CB C 28.840 0.400 1 52 46 46 GLN CG C 33.856 0.400 1 53 46 46 GLN N N 122.270 0.400 1 54 47 47 ALA H H 8.280 0.020 1 55 47 47 ALA HA H 4.226 0.020 1 56 47 47 ALA HB H 1.411 0.020 1 57 47 47 ALA C C 177.804 0.400 1 58 47 47 ALA CA C 53.096 0.400 1 59 47 47 ALA CB C 19.380 0.400 1 60 47 47 ALA N N 122.720 0.400 1 61 48 48 LYS H H 8.080 0.020 1 62 48 48 LYS HA H 4.012 0.020 1 63 48 48 LYS HB3 H 1.834 0.020 2 64 48 48 LYS HG3 H 1.459 0.020 2 65 48 48 LYS HD2 H 1.598 0.020 2 66 48 48 LYS HD3 H 1.694 0.020 2 67 48 48 LYS HE3 H 3.012 0.020 2 68 48 48 LYS CA C 57.290 0.400 1 69 48 48 LYS CB C 32.085 0.400 1 70 48 48 LYS CG C 23.396 0.400 1 71 48 48 LYS CD C 28.626 0.400 1 72 48 48 LYS CE C 41.768 0.400 1 73 48 48 LYS N N 119.580 0.400 1 74 49 49 VAL H H 8.090 0.020 1 75 49 49 VAL HA H 4.070 0.020 1 76 49 49 VAL HB H 2.060 0.020 1 77 49 49 VAL HG1 H 0.901 0.020 1 78 49 49 VAL HG2 H 0.942 0.020 1 79 49 49 VAL CA C 62.291 0.400 1 80 49 49 VAL CB C 32.550 0.400 1 81 49 49 VAL CG1 C 20.982 0.400 1 82 49 49 VAL CG2 C 20.983 0.400 1 83 49 49 VAL N N 121.030 0.400 1 84 50 50 GLU H H 8.250 0.020 1 85 50 50 GLU HA H 4.305 0.020 1 86 50 50 GLU HB2 H 1.779 0.020 2 87 50 50 GLU HB3 H 1.814 0.020 2 88 50 50 GLU HG3 H 2.654 0.020 2 89 50 50 GLU C C 176.820 0.400 1 90 50 50 GLU CA C 56.334 0.400 1 91 50 50 GLU CB C 31.026 0.400 1 92 50 50 GLU N N 118.970 0.400 1 93 51 51 LYS H H 8.010 0.020 1 94 51 51 LYS HA H 4.192 0.020 1 95 51 51 LYS HB2 H 1.702 0.020 2 96 51 51 LYS HB3 H 1.702 0.020 2 97 51 51 LYS HG2 H 1.452 0.020 2 98 51 51 LYS HG3 H 1.525 0.020 2 99 51 51 LYS HE3 H 2.983 0.020 2 100 51 51 LYS C C 177.652 0.400 1 101 51 51 LYS CA C 57.012 0.400 1 102 51 51 LYS CB C 29.520 0.400 1 103 51 51 LYS CG C 24.604 0.400 1 104 51 51 LYS CE C 42.037 0.400 1 105 51 51 LYS N N 121.840 0.400 1 106 52 52 GLU H H 8.285 0.020 1 107 52 52 GLU HA H 4.296 0.020 1 108 52 52 GLU HB3 H 2.058 0.020 2 109 52 52 GLU HG3 H 2.411 0.020 2 110 52 52 GLU C C 176.384 0.400 1 111 52 52 GLU CA C 57.415 0.400 1 112 52 52 GLU CB C 30.386 0.400 1 113 52 52 GLU CG C 36.538 0.400 1 114 52 52 GLU N N 121.184 0.400 1 115 53 53 MET H H 8.255 0.020 1 116 53 53 MET HA H 4.273 0.020 1 117 53 53 MET HB3 H 2.359 0.020 2 118 53 53 MET HG3 H 1.717 0.020 2 119 53 53 MET C C 176.401 0.400 1 120 53 53 MET CA C 55.186 0.400 1 121 53 53 MET CB C 33.173 0.400 1 122 53 53 MET N N 121.967 0.400 1 123 54 54 GLY H H 8.500 0.020 1 124 54 54 GLY HA3 H 3.952 0.020 2 125 54 54 GLY C C 174.176 0.400 1 126 54 54 GLY CA C 45.520 0.400 1 127 54 54 GLY N N 110.280 0.400 1 128 55 55 ALA H H 7.940 0.020 1 129 55 55 ALA HA H 4.363 0.020 1 130 55 55 ALA HB H 1.385 0.020 1 131 55 55 ALA C C 177.558 0.400 1 132 55 55 ALA CA C 52.550 0.400 1 133 55 55 ALA CB C 19.250 0.400 1 134 55 55 ALA N N 123.420 0.400 1 135 56 56 VAL H H 8.080 0.020 1 136 56 56 VAL HA H 4.126 0.020 1 137 56 56 VAL HB H 2.067 0.020 1 138 56 56 VAL HG1 H 0.914 0.020 1 139 56 56 VAL HG2 H 0.946 0.020 1 140 56 56 VAL C C 178.069 0.400 1 141 56 56 VAL CA C 62.470 0.400 1 142 56 56 VAL CB C 32.890 0.400 1 143 56 56 VAL CG1 C 20.982 0.400 1 144 56 56 VAL CG2 C 20.982 0.400 1 145 56 56 VAL N N 119.580 0.400 1 146 57 57 GLN H H 8.450 0.020 1 147 57 57 GLN HA H 4.285 0.020 1 148 57 57 GLN HB2 H 2.090 0.020 2 149 57 57 GLN HB3 H 1.981 0.020 2 150 57 57 GLN HG3 H 2.359 0.020 2 151 57 57 GLN C C 175.606 0.400 1 152 57 57 GLN CA C 56.080 0.400 1 153 57 57 GLN CB C 29.890 0.400 1 154 57 57 GLN CG C 33.857 0.400 1 155 57 57 GLN N N 124.180 0.400 1 156 58 58 ASP H H 8.420 0.020 1 157 58 58 ASP HA H 4.140 0.020 1 158 58 58 ASP HB2 H 2.695 0.020 2 159 58 58 ASP HB3 H 2.712 0.020 2 160 58 58 ASP C C 176.480 0.400 1 161 58 58 ASP CA C 54.240 0.400 1 162 58 58 ASP CB C 41.380 0.400 1 163 58 58 ASP N N 122.320 0.400 1 164 59 59 SER H H 8.430 0.020 1 165 59 59 SER HA H 4.480 0.020 1 166 59 59 SER HB2 H 3.874 0.020 2 167 59 59 SER HB3 H 3.930 0.020 2 168 59 59 SER C C 174.918 0.400 1 169 59 59 SER CA C 58.690 0.400 1 170 59 59 SER CB C 63.700 0.400 1 171 59 59 SER N N 117.270 0.400 1 172 60 60 SER H H 8.450 0.020 1 173 60 60 SER HA H 4.460 0.020 1 174 60 60 SER HB2 H 3.813 0.020 2 175 60 60 SER HB3 H 3.925 0.020 2 176 60 60 SER C C 174.868 0.400 1 177 60 60 SER CA C 59.070 0.400 1 178 60 60 SER CB C 63.800 0.400 1 179 60 60 SER N N 117.890 0.400 1 180 61 61 SER H H 8.280 0.020 1 181 61 61 SER HA H 4.627 0.020 1 182 61 61 SER HB2 H 3.813 0.020 2 183 61 61 SER HB3 H 3.926 0.020 2 184 61 61 SER C C 174.819 0.400 1 185 61 61 SER CA C 58.760 0.400 1 186 61 61 SER CB C 63.670 0.400 1 187 61 61 SER N N 117.500 0.400 1 188 62 62 THR H H 8.160 0.020 1 189 62 62 THR HA H 4.382 0.020 1 190 62 62 THR HB H 4.282 0.020 1 191 62 62 THR HG2 H 1.197 0.020 1 192 62 62 THR C C 174.830 0.400 1 193 62 62 THR CA C 62.000 0.400 1 194 62 62 THR CB C 69.680 0.400 1 195 62 62 THR CG2 C 21.787 0.400 1 196 62 62 THR N N 115.660 0.400 1 197 63 63 SER H H 8.290 0.020 1 198 63 63 SER HA H 4.453 0.020 1 199 63 63 SER HB2 H 3.873 0.020 2 200 63 63 SER HB3 H 3.919 0.020 2 201 63 63 SER C C 174.634 0.400 1 202 63 63 SER CA C 58.590 0.400 1 203 63 63 SER CB C 63.580 0.400 1 204 63 63 SER N N 118.100 0.400 1 205 64 64 ALA H H 8.300 0.020 1 206 64 64 ALA HA H 4.407 0.020 1 207 64 64 ALA HB H 1.438 0.020 1 208 64 64 ALA C C 178.376 0.400 1 209 64 64 ALA CA C 53.110 0.400 1 210 64 64 ALA CB C 19.350 0.400 1 211 64 64 ALA N N 126.120 0.400 1 212 65 65 THR H H 8.200 0.020 1 213 65 65 THR HA H 4.288 0.020 1 214 65 65 THR HB H 4.123 0.020 1 215 65 65 THR HG2 H 1.194 0.020 1 216 65 65 THR C C 175.222 0.400 1 217 65 65 THR CA C 62.200 0.400 1 218 65 65 THR CB C 70.040 0.400 1 219 65 65 THR CG2 C 21.921 0.400 1 220 65 65 THR N N 112.880 0.400 1 221 66 66 GLN H H 8.418 0.020 1 222 66 66 GLN HA H 4.100 0.020 1 223 66 66 GLN HB3 H 2.101 0.020 2 224 66 66 GLN HG3 H 2.374 0.020 2 225 66 66 GLN C C 176.660 0.400 1 226 66 66 GLN CA C 57.275 0.400 1 227 66 66 GLN CB C 28.326 0.400 1 228 66 66 GLN CG C 33.320 0.400 1 229 66 66 GLN N N 122.291 0.400 1 230 67 67 ALA H H 8.284 0.020 1 231 67 67 ALA HA H 4.052 0.020 1 232 67 67 ALA HB H 1.416 0.020 1 233 67 67 ALA C C 179.462 0.400 1 234 67 67 ALA CA C 54.071 0.400 1 235 67 67 ALA CB C 18.405 0.400 1 236 67 67 ALA N N 122.730 0.400 1 237 68 68 GLU H H 8.078 0.020 1 238 68 68 GLU HA H 4.079 0.020 1 239 68 68 GLU HB2 H 2.035 0.020 2 240 68 68 GLU HB3 H 2.087 0.020 2 241 68 68 GLU HG3 H 2.267 0.020 2 242 68 68 GLU CA C 57.847 0.400 1 243 68 68 GLU CB C 29.997 0.400 1 244 68 68 GLU CG C 36.406 0.400 1 245 68 68 GLU N N 119.592 0.400 1 246 69 69 LYS H H 8.090 0.020 1 247 69 69 LYS HA H 4.004 0.020 1 248 69 69 LYS HB2 H 1.936 0.020 2 249 69 69 LYS HB3 H 1.820 0.020 2 250 69 69 LYS HG2 H 1.397 0.020 2 251 69 69 LYS HG3 H 1.452 0.020 2 252 69 69 LYS HD2 H 1.603 0.020 2 253 69 69 LYS HD3 H 1.695 0.020 2 254 69 69 LYS HE3 H 2.989 0.020 2 255 69 69 LYS C C 177.871 0.400 1 256 69 69 LYS CA C 58.544 0.400 1 257 69 69 LYS CB C 32.503 0.400 1 258 69 69 LYS CG C 24.871 0.400 1 259 69 69 LYS CD C 29.163 0.400 1 260 69 69 LYS CE C 41.902 0.400 1 261 69 69 LYS N N 121.015 0.400 1 262 70 70 GLU H H 8.251 0.020 1 263 70 70 GLU HA H 4.029 0.020 1 264 70 70 GLU HB2 H 2.038 0.020 2 265 70 70 GLU HB3 H 2.108 0.020 2 266 70 70 GLU HG2 H 2.396 0.020 2 267 70 70 GLU HG3 H 2.261 0.020 2 268 70 70 GLU C C 178.364 0.400 1 269 70 70 GLU CA C 58.669 0.400 1 270 70 70 GLU CB C 29.550 0.400 1 271 70 70 GLU CG C 36.539 0.400 1 272 70 70 GLU N N 118.996 0.400 1 273 71 71 GLU H H 8.005 0.020 1 274 71 71 GLU HA H 4.020 0.020 1 275 71 71 GLU HB2 H 2.097 0.020 2 276 71 71 GLU HB3 H 2.042 0.020 2 277 71 71 GLU HG2 H 2.396 0.020 2 278 71 71 GLU HG3 H 2.263 0.020 2 279 71 71 GLU C C 178.705 0.400 1 280 71 71 GLU CA C 59.365 0.400 1 281 71 71 GLU CB C 29.411 0.400 1 282 71 71 GLU CG C 36.807 0.400 1 283 71 71 GLU N N 121.851 0.400 1 284 72 72 VAL H H 7.844 0.020 1 285 72 72 VAL HA H 3.659 0.020 1 286 72 72 VAL HB H 2.022 0.020 1 287 72 72 VAL HG1 H 0.936 0.020 1 288 72 72 VAL HG2 H 0.936 0.020 1 289 72 72 VAL C C 179.869 0.400 1 290 72 72 VAL CA C 65.318 0.400 1 291 72 72 VAL CB C 32.241 0.400 1 292 72 72 VAL CG1 C 22.189 0.400 1 293 72 72 VAL CG2 C 22.189 0.400 1 294 72 72 VAL N N 120.572 0.400 1 295 73 73 ASP H H 8.602 0.020 1 296 73 73 ASP HA H 4.107 0.020 1 297 73 73 ASP HB2 H 2.643 0.020 2 298 73 73 ASP HB3 H 2.564 0.020 2 299 73 73 ASP C C 178.853 0.400 1 300 73 73 ASP CA C 57.833 0.400 1 301 73 73 ASP CB C 39.721 0.400 1 302 73 73 ASP N N 123.749 0.400 1 303 74 74 SER H H 8.098 0.020 1 304 74 74 SER HA H 4.308 0.020 1 305 74 74 SER HB3 H 3.868 0.020 2 306 74 74 SER C C 173.357 0.400 1 307 74 74 SER CA C 61.037 0.400 1 308 74 74 SER CB C 63.406 0.400 1 309 74 74 SER N N 115.484 0.400 1 310 75 75 ARG H H 7.295 0.020 1 311 75 75 ARG HA H 4.698 0.020 1 312 75 75 ARG HB2 H 1.772 0.020 2 313 75 75 ARG HB3 H 1.832 0.020 2 314 75 75 ARG HG3 H 1.531 0.020 2 315 75 75 ARG HD3 H 3.175 0.020 2 316 75 75 ARG C C 174.593 0.400 1 317 75 75 ARG CA C 55.882 0.400 1 318 75 75 ARG CB C 30.665 0.400 1 319 75 75 ARG CG C 27.062 0.400 1 320 75 75 ARG CD C 43.288 0.400 1 321 75 75 ARG N N 118.929 0.400 1 322 76 76 SER H H 7.480 0.020 1 323 76 76 SER HA H 6.060 0.020 1 324 76 76 SER HB3 H 3.928 0.020 2 325 76 76 SER C C 172.876 0.400 1 326 76 76 SER CA C 57.140 0.400 1 327 76 76 SER CB C 66.790 0.400 1 328 76 76 SER N N 112.430 0.400 1 329 77 77 ILE H H 8.910 0.020 1 330 77 77 ILE HA H 5.040 0.020 1 331 77 77 ILE HB H 1.918 0.020 1 332 77 77 ILE HG13 H 1.385 0.020 2 333 77 77 ILE HG2 H 0.910 0.020 1 334 77 77 ILE HD1 H 0.060 0.020 1 335 77 77 ILE C C 173.901 0.400 1 336 77 77 ILE CA C 59.300 0.400 1 337 77 77 ILE CB C 41.100 0.400 1 338 77 77 ILE CG1 C 25.721 0.400 1 339 77 77 ILE CG2 C 19.418 0.400 1 340 77 77 ILE CD1 C 13.786 0.400 1 341 77 77 ILE N N 113.480 0.400 1 342 78 78 TYR H H 9.200 0.020 1 343 78 78 TYR HA H 5.288 0.020 1 344 78 78 TYR HB2 H 2.673 0.020 2 345 78 78 TYR HB3 H 2.979 0.020 2 346 78 78 TYR HD1 H 6.992 0.020 1 347 78 78 TYR HD2 H 6.992 0.020 1 348 78 78 TYR HE1 H 7.389 0.020 1 349 78 78 TYR HE2 H 7.389 0.020 1 350 78 78 TYR C C 173.904 0.400 1 351 78 78 TYR CA C 56.100 0.400 1 352 78 78 TYR CB C 41.270 0.400 1 353 78 78 TYR CD1 C 131.788 0.400 1 354 78 78 TYR CD2 C 131.788 0.400 1 355 78 78 TYR CE1 C 116.779 0.400 1 356 78 78 TYR CE2 C 116.779 0.400 1 357 78 78 TYR N N 123.410 0.400 1 358 79 79 VAL H H 9.020 0.020 1 359 79 79 VAL HA H 4.903 0.020 1 360 79 79 VAL HB H 1.792 0.020 1 361 79 79 VAL HG1 H 0.638 0.020 1 362 79 79 VAL HG2 H 0.952 0.020 1 363 79 79 VAL C C 174.037 0.400 1 364 79 79 VAL CA C 60.220 0.400 1 365 79 79 VAL CB C 33.800 0.400 1 366 79 79 VAL CG1 C 21.921 0.400 1 367 79 79 VAL CG2 C 23.933 0.400 1 368 79 79 VAL N N 127.570 0.400 1 369 80 80 GLY H H 9.660 0.020 1 370 80 80 GLY HA2 H 4.602 0.020 2 371 80 80 GLY HA3 H 3.514 0.020 2 372 80 80 GLY C C 173.042 0.400 1 373 80 80 GLY CA C 43.730 0.400 1 374 80 80 GLY N N 112.870 0.400 1 375 81 81 ASN H H 7.910 0.020 1 376 81 81 ASN HA H 4.187 0.020 1 377 81 81 ASN HB2 H 2.560 0.020 2 378 81 81 ASN HB3 H 2.678 0.020 2 379 81 81 ASN C C 173.561 0.400 1 380 81 81 ASN CA C 53.290 0.400 1 381 81 81 ASN CB C 37.640 0.400 1 382 81 81 ASN N N 116.490 0.400 1 383 82 82 VAL H H 7.340 0.020 1 384 82 82 VAL HA H 3.415 0.020 1 385 82 82 VAL HB H 2.012 0.020 1 386 82 82 VAL HG2 H 0.595 0.020 1 387 82 82 VAL C C 176.957 0.400 1 388 82 82 VAL CA C 61.610 0.400 1 389 82 82 VAL CB C 31.660 0.400 1 390 82 82 VAL CG2 C 21.788 0.400 1 391 82 82 VAL N N 116.730 0.400 1 392 83 83 ASP H H 8.870 0.020 1 393 83 83 ASP HA H 5.600 0.020 1 394 83 83 ASP HB2 H 2.572 0.020 2 395 83 83 ASP HB3 H 2.990 0.020 2 396 83 83 ASP CA C 55.780 0.400 1 397 83 83 ASP CB C 44.330 0.400 1 398 83 83 ASP N N 130.560 0.400 1 399 84 84 TYR H H 8.160 0.020 1 400 84 84 TYR HA H 4.389 0.020 1 401 84 84 TYR HB2 H 2.975 0.020 2 402 84 84 TYR HB3 H 3.115 0.020 2 403 84 84 TYR HD1 H 6.992 0.020 1 404 84 84 TYR HD2 H 6.992 0.020 1 405 84 84 TYR HE1 H 6.670 0.020 1 406 84 84 TYR HE2 H 6.670 0.020 1 407 84 84 TYR C C 176.793 0.400 1 408 84 84 TYR CA C 58.920 0.400 1 409 84 84 TYR CB C 37.110 0.400 1 410 84 84 TYR CD1 C 131.157 0.400 1 411 84 84 TYR CD2 C 131.157 0.400 1 412 84 84 TYR CE1 C 117.092 0.400 1 413 84 84 TYR CE2 C 117.092 0.400 1 414 84 84 TYR N N 125.410 0.400 1 415 85 85 ALA H H 8.770 0.020 1 416 85 85 ALA HA H 4.258 0.020 1 417 85 85 ALA HB H 1.323 0.020 1 418 85 85 ALA C C 178.380 0.400 1 419 85 85 ALA CA C 52.010 0.400 1 420 85 85 ALA CB C 19.060 0.400 1 421 85 85 ALA N N 120.500 0.400 1 422 86 86 CYS H H 7.610 0.020 1 423 86 86 CYS HA H 4.340 0.020 1 424 86 86 CYS HB2 H 2.315 0.020 2 425 86 86 CYS HB3 H 2.678 0.020 2 426 86 86 CYS C C 174.871 0.400 1 427 86 86 CYS CA C 60.640 0.400 1 428 86 86 CYS CB C 27.700 0.400 1 429 86 86 CYS N N 117.350 0.400 1 430 87 87 THR H H 8.170 0.020 1 431 87 87 THR HA H 4.811 0.020 1 432 87 87 THR C C 174.044 0.400 1 433 87 87 THR CA C 58.900 0.400 1 434 87 87 THR CB C 68.920 0.400 1 435 87 87 THR CG2 C 20.804 0.400 1 436 87 87 THR N N 114.580 0.400 1 437 88 88 PRO HA H 3.990 0.020 1 438 88 88 PRO HB2 H 2.012 0.020 2 439 88 88 PRO HB3 H 2.195 0.020 2 440 88 88 PRO CA C 65.876 0.400 1 441 88 88 PRO CB C 31.403 0.400 1 442 88 88 PRO CG C 28.358 0.400 1 443 88 88 PRO CD C 50.753 0.400 1 444 89 89 GLU H H 8.730 0.020 1 445 89 89 GLU HA H 4.014 0.020 1 446 89 89 GLU HB3 H 1.928 0.020 2 447 89 89 GLU HG3 H 2.462 0.020 2 448 89 89 GLU C C 178.625 0.400 1 449 89 89 GLU CA C 60.750 0.400 1 450 89 89 GLU CB C 28.880 0.400 1 451 89 89 GLU CG C 37.208 0.400 1 452 89 89 GLU N N 116.830 0.400 1 453 90 90 GLU H H 7.910 0.020 1 454 90 90 GLU HA H 4.007 0.020 1 455 90 90 GLU HB3 H 2.113 0.020 2 456 90 90 GLU HG3 H 2.432 0.020 2 457 90 90 GLU C C 179.643 0.400 1 458 90 90 GLU CA C 59.460 0.400 1 459 90 90 GLU CB C 31.050 0.400 1 460 90 90 GLU CG C 36.539 0.400 1 461 90 90 GLU N N 121.420 0.400 1 462 91 91 VAL H H 7.580 0.020 1 463 91 91 VAL HA H 3.583 0.020 1 464 91 91 VAL HB H 2.008 0.020 1 465 91 91 VAL HG2 H 0.806 0.020 1 466 91 91 VAL C C 177.513 0.400 1 467 91 91 VAL CA C 66.740 0.400 1 468 91 91 VAL CB C 31.280 0.400 1 469 91 91 VAL CG2 C 22.323 0.400 1 470 91 91 VAL N N 119.490 0.400 1 471 92 92 GLN H H 8.750 0.020 1 472 92 92 GLN HA H 3.696 0.020 1 473 92 92 GLN HB3 H 2.314 0.020 2 474 92 92 GLN HG3 H 2.677 0.020 2 475 92 92 GLN C C 177.791 0.400 1 476 92 92 GLN CA C 60.560 0.400 1 477 92 92 GLN CB C 27.620 0.400 1 478 92 92 GLN CG C 32.919 0.400 1 479 92 92 GLN N N 119.870 0.400 1 480 93 93 GLN H H 8.370 0.020 1 481 93 93 GLN HA H 4.005 0.020 1 482 93 93 GLN HB3 H 2.114 0.020 2 483 93 93 GLN HG3 H 2.370 0.020 2 484 93 93 GLN C C 177.995 0.400 1 485 93 93 GLN CA C 58.650 0.400 1 486 93 93 GLN CB C 28.290 0.400 1 487 93 93 GLN CG C 33.588 0.400 1 488 93 93 GLN N N 116.050 0.400 1 489 94 94 HIS H H 7.720 0.020 1 490 94 94 HIS HA H 4.046 0.020 1 491 94 94 HIS HB3 H 3.037 0.020 2 492 94 94 HIS C C 176.123 0.400 1 493 94 94 HIS CA C 59.600 0.400 1 494 94 94 HIS CB C 32.070 0.400 1 495 94 94 HIS N N 119.340 0.400 1 496 95 95 PHE HA H 4.550 0.020 1 497 95 95 PHE HE1 H 7.001 0.020 1 498 95 95 PHE HE2 H 7.001 0.020 1 499 95 95 PHE CA C 58.862 0.400 1 500 95 95 PHE CB C 40.836 0.400 1 501 95 95 PHE CE1 C 130.845 0.400 1 502 95 95 PHE CE2 C 130.845 0.400 1 503 96 96 GLN H H 7.800 0.020 1 504 96 96 GLN HA H 4.162 0.020 1 505 96 96 GLN HB3 H 2.110 0.020 2 506 96 96 GLN HG3 H 2.377 0.020 2 507 96 96 GLN C C 176.205 0.400 1 508 96 96 GLN CA C 58.720 0.400 1 509 96 96 GLN CB C 27.910 0.400 1 510 96 96 GLN CG C 33.276 0.400 1 511 96 96 GLN N N 120.730 0.400 1 512 97 97 SER H H 8.380 0.020 1 513 97 97 SER HA H 4.318 0.020 1 514 97 97 SER HB3 H 3.714 0.020 2 515 97 97 SER C C 175.901 0.400 1 516 97 97 SER CA C 59.720 0.400 1 517 97 97 SER CB C 62.380 0.400 1 518 97 97 SER N N 113.500 0.400 1 519 98 98 CYS H H 8.180 0.020 1 520 98 98 CYS HA H 4.076 0.020 1 521 98 98 CYS HB2 H 3.263 0.020 2 522 98 98 CYS HB3 H 2.747 0.020 2 523 98 98 CYS C C 173.946 0.400 1 524 98 98 CYS CA C 61.130 0.400 1 525 98 98 CYS CB C 28.890 0.400 1 526 98 98 CYS N N 119.480 0.400 1 527 99 99 GLY H H 7.370 0.020 1 528 99 99 GLY HA2 H 3.955 0.020 2 529 99 99 GLY HA3 H 3.919 0.020 2 530 99 99 GLY C C 170.284 0.400 1 531 99 99 GLY CA C 44.340 0.400 1 532 99 99 GLY N N 104.740 0.400 1 533 100 100 THR H H 10.040 0.020 1 534 100 100 THR HA H 4.276 0.020 1 535 100 100 THR C C 175.012 0.400 1 536 100 100 THR CA C 63.640 0.400 1 537 100 100 THR CB C 68.070 0.400 1 538 100 100 THR N N 118.030 0.400 1 539 101 101 VAL H H 9.160 0.020 1 540 101 101 VAL HA H 3.740 0.020 1 541 101 101 VAL HB H 2.000 0.020 1 542 101 101 VAL HG1 H 0.514 0.020 1 543 101 101 VAL HG2 H 0.933 0.020 1 544 101 101 VAL C C 175.150 0.400 1 545 101 101 VAL CA C 63.410 0.400 1 546 101 101 VAL CB C 32.480 0.400 1 547 101 101 VAL CG1 C 22.189 0.400 1 548 101 101 VAL CG2 C 22.189 0.400 1 549 101 101 VAL N N 130.480 0.400 1 550 102 102 ASN H H 9.510 0.020 1 551 102 102 ASN HA H 4.781 0.020 1 552 102 102 ASN HB2 H 2.714 0.020 2 553 102 102 ASN HB3 H 2.665 0.020 2 554 102 102 ASN C C 174.958 0.400 1 555 102 102 ASN CA C 53.820 0.400 1 556 102 102 ASN CB C 40.800 0.400 1 557 102 102 ASN N N 127.580 0.400 1 558 103 103 ARG H H 7.460 0.020 1 559 103 103 ARG HA H 4.424 0.020 1 560 103 103 ARG HB3 H 1.655 0.020 2 561 103 103 ARG HG3 H 1.664 0.020 2 562 103 103 ARG HD3 H 3.176 0.020 2 563 103 103 ARG C C 173.481 0.400 1 564 103 103 ARG CA C 56.220 0.400 1 565 103 103 ARG CB C 33.790 0.400 1 566 103 103 ARG CG C 26.883 0.400 1 567 103 103 ARG CD C 43.243 0.400 1 568 103 103 ARG N N 115.420 0.400 1 569 104 104 VAL H H 8.680 0.020 1 570 104 104 VAL HA H 4.623 0.020 1 571 104 104 VAL HB H 1.927 0.020 1 572 104 104 VAL HG1 H 0.864 0.020 1 573 104 104 VAL HG2 H 0.833 0.020 1 574 104 104 VAL C C 174.574 0.400 1 575 104 104 VAL CA C 61.340 0.400 1 576 104 104 VAL CB C 34.240 0.400 1 577 104 104 VAL CG1 C 21.251 0.400 1 578 104 104 VAL CG2 C 21.251 0.400 1 579 104 104 VAL N N 125.340 0.400 1 580 105 105 THR H H 8.950 0.020 1 581 105 105 THR HA H 4.505 0.020 1 582 105 105 THR HB H 4.007 0.020 1 583 105 105 THR HG2 H 1.150 0.020 1 584 105 105 THR C C 173.548 0.400 1 585 105 105 THR CA C 61.250 0.400 1 586 105 105 THR CB C 70.950 0.400 1 587 105 105 THR CG2 C 21.251 0.400 1 588 105 105 THR N N 123.560 0.400 1 589 106 106 ILE H H 9.090 0.020 1 590 106 106 ILE HA H 4.113 0.020 1 591 106 106 ILE HB H 1.853 0.020 1 592 106 106 ILE HG12 H 1.182 0.020 2 593 106 106 ILE HG13 H 1.655 0.020 2 594 106 106 ILE HG2 H 0.855 0.020 1 595 106 106 ILE HD1 H 0.518 0.020 1 596 106 106 ILE C C 175.683 0.400 1 597 106 106 ILE CA C 61.250 0.400 1 598 106 106 ILE CB C 37.080 0.400 1 599 106 106 ILE CG1 C 28.358 0.400 1 600 106 106 ILE CG2 C 16.959 0.400 1 601 106 106 ILE CD1 C 11.059 0.400 1 602 106 106 ILE N N 128.490 0.400 1 603 107 107 LEU H H 8.100 0.020 1 604 107 107 LEU HA H 4.371 0.020 1 605 107 107 LEU HB2 H 1.708 0.020 2 606 107 107 LEU HB3 H 1.943 0.020 2 607 107 107 LEU HG H 1.523 0.020 1 608 107 107 LEU HD1 H 0.864 0.020 1 609 107 107 LEU C C 176.597 0.400 1 610 107 107 LEU CA C 54.764 0.400 1 611 107 107 LEU CB C 41.380 0.400 1 612 107 107 LEU CG C 27.017 0.400 1 613 107 107 LEU CD1 C 24.335 0.400 1 614 107 107 LEU CD2 C 24.335 0.400 1 615 107 107 LEU N N 129.960 0.400 1 616 108 108 THR H H 8.770 0.020 1 617 108 108 THR HA H 5.052 0.020 1 618 108 108 THR HB H 3.865 0.020 1 619 108 108 THR HG2 H 0.895 0.020 1 620 108 108 THR C C 174.742 0.400 1 621 108 108 THR CA C 59.150 0.400 1 622 108 108 THR CB C 72.610 0.400 1 623 108 108 THR CG2 C 20.580 0.400 1 624 108 108 THR N N 120.520 0.400 1 625 109 109 ASP H H 8.780 0.020 1 626 109 109 ASP HA H 4.699 0.020 1 627 109 109 ASP HB3 H 2.613 0.020 2 628 109 109 ASP C C 178.486 0.400 1 629 109 109 ASP CA C 52.180 0.400 1 630 109 109 ASP CB C 41.900 0.400 1 631 109 109 ASP N N 120.490 0.400 1 632 110 110 LYS HA H 4.046 0.020 1 633 110 110 LYS HB2 H 1.443 0.020 2 634 110 110 LYS HB3 H 1.568 0.020 2 635 110 110 LYS HD3 H 1.404 0.020 2 636 110 110 LYS HE3 H 2.984 0.020 2 637 110 110 LYS CA C 58.126 0.400 1 638 110 110 LYS CB C 31.111 0.400 1 639 110 110 LYS CG C 23.262 0.400 1 640 110 110 LYS CD C 28.894 0.400 1 641 110 110 LYS CE C 42.036 0.400 1 642 111 111 PHE H H 8.140 0.020 1 643 111 111 PHE HA H 4.739 0.020 1 644 111 111 PHE HB2 H 3.504 0.020 2 645 111 111 PHE HB3 H 2.994 0.020 2 646 111 111 PHE C C 176.204 0.400 1 647 111 111 PHE CA C 57.000 0.400 1 648 111 111 PHE CB C 38.870 0.400 1 649 111 111 PHE N N 119.280 0.400 1 650 112 112 GLY H H 8.160 0.020 1 651 112 112 GLY HA2 H 3.653 0.020 2 652 112 112 GLY HA3 H 4.264 0.020 2 653 112 112 GLY C C 174.044 0.400 1 654 112 112 GLY CA C 45.310 0.400 1 655 112 112 GLY N N 108.500 0.400 1 656 113 113 GLN H H 8.550 0.020 1 657 113 113 GLN HA H 4.657 0.020 1 658 113 113 GLN HB3 H 2.186 0.020 2 659 113 113 GLN HG2 H 2.399 0.020 2 660 113 113 GLN HG3 H 2.231 0.020 2 661 113 113 GLN C C 173.975 0.400 1 662 113 113 GLN CA C 52.860 0.400 1 663 113 113 GLN CB C 28.210 0.400 1 664 113 113 GLN CG C 33.544 0.400 1 665 113 113 GLN N N 121.800 0.400 1 666 114 114 PRO HA H 4.375 0.020 1 667 114 114 PRO HB2 H 2.233 0.020 2 668 114 114 PRO HB3 H 1.907 0.020 2 669 114 114 PRO HG2 H 1.907 0.020 2 670 114 114 PRO HG3 H 2.000 0.020 2 671 114 114 PRO HD2 H 3.790 0.020 2 672 114 114 PRO HD3 H 3.636 0.020 2 673 114 114 PRO CA C 63.139 0.400 1 674 114 114 PRO CB C 32.503 0.400 1 675 114 114 PRO CG C 27.151 0.400 1 676 114 114 PRO CD C 51.021 0.400 1 677 115 115 LYS H H 8.230 0.020 1 678 115 115 LYS HA H 4.476 0.020 1 679 115 115 LYS HB2 H 1.475 0.020 2 680 115 115 LYS HB3 H 1.558 0.020 2 681 115 115 LYS HG3 H 1.409 0.020 2 682 115 115 LYS HD3 H 1.569 0.020 2 683 115 115 LYS HE2 H 2.893 0.020 2 684 115 115 LYS HE3 H 2.962 0.020 2 685 115 115 LYS C C 176.793 0.400 1 686 115 115 LYS CA C 56.210 0.400 1 687 115 115 LYS CB C 34.450 0.400 1 688 115 115 LYS CG C 25.676 0.400 1 689 115 115 LYS CD C 29.298 0.400 1 690 115 115 LYS CE C 40.561 0.400 1 691 115 115 LYS N N 118.340 0.400 1 692 116 116 GLY H H 8.970 0.020 1 693 116 116 GLY HA2 H 3.960 0.020 2 694 116 116 GLY HA3 H 4.215 0.020 2 695 116 116 GLY C C 173.334 0.400 1 696 116 116 GLY CA C 45.450 0.400 1 697 116 116 GLY N N 108.590 0.400 1 698 117 117 PHE H H 7.390 0.020 1 699 117 117 PHE HA H 5.602 0.020 1 700 117 117 PHE HB2 H 2.981 0.020 2 701 117 117 PHE HB3 H 2.548 0.020 2 702 117 117 PHE C C 173.203 0.400 1 703 117 117 PHE CA C 55.280 0.400 1 704 117 117 PHE CB C 44.290 0.400 1 705 117 117 PHE N N 115.720 0.400 1 706 118 118 ALA H H 9.290 0.020 1 707 118 118 ALA HA H 5.216 0.020 1 708 118 118 ALA HB H 1.084 0.020 1 709 118 118 ALA C C 175.150 0.400 1 710 118 118 ALA CA C 50.100 0.400 1 711 118 118 ALA CB C 23.490 0.400 1 712 118 118 ALA N N 120.800 0.400 1 713 119 119 TYR H H 8.690 0.020 1 714 119 119 TYR HA H 5.929 0.020 1 715 119 119 TYR HB2 H 2.721 0.020 2 716 119 119 TYR HB3 H 2.824 0.020 2 717 119 119 TYR C C 176.163 0.400 1 718 119 119 TYR CA C 54.730 0.400 1 719 119 119 TYR CB C 40.530 0.400 1 720 119 119 TYR N N 116.410 0.400 1 721 120 120 VAL H H 8.180 0.020 1 722 120 120 VAL HA H 4.313 0.020 1 723 120 120 VAL HB H 2.070 0.020 1 724 120 120 VAL HG1 H 0.923 0.020 1 725 120 120 VAL C C 172.571 0.400 1 726 120 120 VAL CA C 61.570 0.400 1 727 120 120 VAL CB C 33.090 0.400 1 728 120 120 VAL CG1 C 21.386 0.400 1 729 120 120 VAL CG2 C 21.386 0.400 1 730 120 120 VAL N N 122.040 0.400 1 731 121 121 GLU H H 8.540 0.020 1 732 121 121 GLU HA H 4.756 0.020 1 733 121 121 GLU HB2 H 1.705 0.020 2 734 121 121 GLU HB3 H 1.838 0.020 2 735 121 121 GLU C C 175.608 0.400 1 736 121 121 GLU CA C 54.320 0.400 1 737 121 121 GLU CB C 32.770 0.400 1 738 121 121 GLU CG C 35.735 0.400 1 739 121 121 GLU N N 127.660 0.400 1 740 122 122 PHE H H 9.140 0.020 1 741 122 122 PHE HA H 5.243 0.020 1 742 122 122 PHE HB3 H 3.174 0.020 2 743 122 122 PHE HE1 H 6.992 0.020 1 744 122 122 PHE HE2 H 6.992 0.020 1 745 122 122 PHE C C 175.428 0.400 1 746 122 122 PHE CA C 56.960 0.400 1 747 122 122 PHE CB C 41.970 0.400 1 748 122 122 PHE CE1 C 131.469 0.400 1 749 122 122 PHE CE2 C 131.469 0.400 1 750 122 122 PHE N N 127.040 0.400 1 751 123 123 VAL H H 8.460 0.020 1 752 123 123 VAL HA H 3.707 0.020 1 753 123 123 VAL HB H 2.062 0.020 1 754 123 123 VAL HG2 H 0.911 0.020 1 755 123 123 VAL C C 176.096 0.400 1 756 123 123 VAL CA C 65.913 0.400 1 757 123 123 VAL CB C 33.312 0.400 1 758 123 123 VAL CG2 C 22.323 0.400 1 759 123 123 VAL N N 119.520 0.400 1 760 124 124 GLU H H 8.820 0.020 1 761 124 124 GLU HA H 4.547 0.020 1 762 124 124 GLU HB2 H 1.981 0.020 2 763 124 124 GLU HB3 H 2.095 0.020 2 764 124 124 GLU HG3 H 2.225 0.020 2 765 124 124 GLU C C 177.173 0.400 1 766 124 124 GLU CA C 55.740 0.400 1 767 124 124 GLU CB C 30.290 0.400 1 768 124 124 GLU CG C 36.404 0.400 1 769 124 124 GLU N N 117.650 0.400 1 770 125 125 ILE H H 8.640 0.020 1 771 125 125 ILE HA H 3.887 0.020 1 772 125 125 ILE HB H 1.793 0.020 1 773 125 125 ILE HG12 H 1.182 0.020 2 774 125 125 ILE HG13 H 1.649 0.020 2 775 125 125 ILE HG2 H 0.987 0.020 1 776 125 125 ILE HD1 H 0.926 0.020 1 777 125 125 ILE C C 178.479 0.400 1 778 125 125 ILE CA C 64.710 0.400 1 779 125 125 ILE CB C 38.530 0.400 1 780 125 125 ILE CG1 C 29.028 0.400 1 781 125 125 ILE CG2 C 17.094 0.400 1 782 125 125 ILE CD1 C 13.876 0.400 1 783 125 125 ILE N N 122.410 0.400 1 784 126 126 ASP H H 8.490 0.020 1 785 126 126 ASP HA H 4.313 0.020 1 786 126 126 ASP HB2 H 2.565 0.020 2 787 126 126 ASP HB3 H 2.626 0.020 2 788 126 126 ASP C C 176.586 0.400 1 789 126 126 ASP CA C 56.070 0.400 1 790 126 126 ASP CB C 40.120 0.400 1 791 126 126 ASP N N 119.400 0.400 1 792 127 127 ALA H H 7.240 0.020 1 793 127 127 ALA HA H 3.807 0.020 1 794 127 127 ALA HB H 1.698 0.020 1 795 127 127 ALA C C 179.181 0.400 1 796 127 127 ALA CA C 54.610 0.400 1 797 127 127 ALA CB C 20.110 0.400 1 798 127 127 ALA N N 119.890 0.400 1 799 128 128 VAL H H 7.340 0.020 1 800 128 128 VAL HA H 3.142 0.020 1 801 128 128 VAL HB H 2.036 0.020 1 802 128 128 VAL HG1 H 0.892 0.020 1 803 128 128 VAL HG2 H 0.892 0.020 1 804 128 128 VAL C C 176.945 0.400 1 805 128 128 VAL CA C 66.930 0.400 1 806 128 128 VAL CB C 31.670 0.400 1 807 128 128 VAL CG1 C 20.312 0.400 1 808 128 128 VAL CG2 C 20.312 0.400 1 809 128 128 VAL N N 116.730 0.400 1 810 129 129 GLN H H 7.280 0.020 1 811 129 129 GLN HA H 3.941 0.020 1 812 129 129 GLN HB3 H 2.115 0.020 2 813 129 129 GLN HG3 H 2.373 0.020 2 814 129 129 GLN C C 178.764 0.400 1 815 129 129 GLN CA C 58.560 0.400 1 816 129 129 GLN CB C 27.920 0.400 1 817 129 129 GLN CG C 33.722 0.400 1 818 129 129 GLN N N 115.050 0.400 1 819 130 130 ASN H H 7.000 0.020 1 820 130 130 ASN HA H 4.450 0.020 1 821 130 130 ASN HB2 H 2.816 0.020 2 822 130 130 ASN HB3 H 2.867 0.020 2 823 130 130 ASN C C 177.652 0.400 1 824 130 130 ASN CA C 55.400 0.400 1 825 130 130 ASN CB C 37.370 0.400 1 826 130 130 ASN N N 116.050 0.400 1 827 131 131 ALA H H 8.340 0.020 1 828 131 131 ALA HA H 4.288 0.020 1 829 131 131 ALA HB H 1.638 0.020 1 830 131 131 ALA C C 180.149 0.400 1 831 131 131 ALA CA C 55.300 0.400 1 832 131 131 ALA CB C 19.400 0.400 1 833 131 131 ALA N N 124.180 0.400 1 834 132 132 LEU H H 8.080 0.020 1 835 132 132 LEU HA H 3.929 0.020 1 836 132 132 LEU HB2 H 1.590 0.020 2 837 132 132 LEU HB3 H 1.906 0.020 2 838 132 132 LEU HD1 H 0.945 0.020 1 839 132 132 LEU C C 180.273 0.400 1 840 132 132 LEU CA C 57.940 0.400 1 841 132 132 LEU CB C 40.600 0.400 1 842 132 132 LEU CG C 25.676 0.400 1 843 132 132 LEU N N 117.570 0.400 1 844 133 133 LEU H H 7.250 0.020 1 845 133 133 LEU HA H 4.347 0.020 1 846 133 133 LEU HB3 H 1.974 0.020 2 847 133 133 LEU HG H 1.531 0.020 1 848 133 133 LEU HD1 H 0.675 0.020 1 849 133 133 LEU C C 177.652 0.400 1 850 133 133 LEU CA C 56.130 0.400 1 851 133 133 LEU CB C 40.630 0.400 1 852 133 133 LEU CG C 26.883 0.400 1 853 133 133 LEU CD1 C 23.993 0.400 1 854 133 133 LEU CD2 C 23.993 0.400 1 855 133 133 LEU N N 117.250 0.400 1 856 134 134 LEU H H 8.000 0.020 1 857 134 134 LEU HA H 4.509 0.020 1 858 134 134 LEU HB3 H 1.835 0.020 2 859 134 134 LEU HG H 1.529 0.020 1 860 134 134 LEU HD1 H 0.809 0.020 1 861 134 134 LEU HD2 H 0.609 0.020 1 862 134 134 LEU C C 177.787 0.400 1 863 134 134 LEU CA C 54.430 0.400 1 864 134 134 LEU CB C 44.540 0.400 1 865 134 134 LEU CG C 26.526 0.400 1 866 134 134 LEU CD1 C 23.441 0.400 1 867 134 134 LEU CD2 C 23.441 0.400 1 868 134 134 LEU N N 117.420 0.400 1 869 135 135 ASN H H 7.520 0.020 1 870 135 135 ASN HA H 4.344 0.020 1 871 135 135 ASN HB2 H 2.567 0.020 2 872 135 135 ASN HB3 H 2.642 0.020 2 873 135 135 ASN C C 174.454 0.400 1 874 135 135 ASN CA C 56.680 0.400 1 875 135 135 ASN CB C 39.440 0.400 1 876 135 135 ASN N N 120.280 0.400 1 877 136 136 GLU H H 8.660 0.020 1 878 136 136 GLU HA H 4.015 0.020 1 879 136 136 GLU HB2 H 1.599 0.020 2 880 136 136 GLU HB3 H 1.709 0.020 2 881 136 136 GLU HG3 H 2.275 0.020 2 882 136 136 GLU C C 175.964 0.400 1 883 136 136 GLU CA C 59.150 0.400 1 884 136 136 GLU CB C 29.163 0.400 1 885 136 136 GLU CG C 36.404 0.400 1 886 136 136 GLU N N 118.740 0.400 1 887 137 137 THR H H 7.530 0.020 1 888 137 137 THR HA H 4.508 0.020 1 889 137 137 THR HB H 4.486 0.020 1 890 137 137 THR HG2 H 0.877 0.020 1 891 137 137 THR C C 173.064 0.400 1 892 137 137 THR CA C 61.590 0.400 1 893 137 137 THR CB C 71.590 0.400 1 894 137 137 THR CG2 C 21.251 0.400 1 895 137 137 THR N N 108.510 0.400 1 896 138 138 GLU H H 8.400 0.020 1 897 138 138 GLU HA H 4.876 0.020 1 898 138 138 GLU HB3 H 1.806 0.020 2 899 138 138 GLU HG3 H 2.034 0.020 2 900 138 138 GLU C C 175.568 0.400 1 901 138 138 GLU CA C 55.800 0.400 1 902 138 138 GLU CB C 31.960 0.400 1 903 138 138 GLU CG C 36.673 0.400 1 904 138 138 GLU N N 119.500 0.400 1 905 139 139 LEU H H 8.640 0.020 1 906 139 139 LEU HA H 4.475 0.020 1 907 139 139 LEU HB3 H 1.495 0.020 2 908 139 139 LEU HG H 1.397 0.020 1 909 139 139 LEU HD1 H 0.599 0.020 1 910 139 139 LEU HD2 H 0.930 0.020 1 911 139 139 LEU C C 176.818 0.400 1 912 139 139 LEU CA C 54.020 0.400 1 913 139 139 LEU CB C 44.650 0.400 1 914 139 139 LEU CG C 26.750 0.400 1 915 139 139 LEU CD1 C 23.397 0.400 1 916 139 139 LEU CD2 C 23.397 0.400 1 917 139 139 LEU N N 124.350 0.400 1 918 140 140 HIS H H 9.990 0.020 1 919 140 140 HIS HA H 4.569 0.020 1 920 140 140 HIS HB2 H 2.905 0.020 2 921 140 140 HIS HB3 H 2.992 0.020 2 922 140 140 HIS HD2 H 8.125 0.020 1 923 140 140 HIS HE1 H 7.626 0.020 1 924 140 140 HIS C C 176.532 0.400 1 925 140 140 HIS CA C 56.379 0.400 1 926 140 140 HIS CB C 28.840 0.400 1 927 140 140 HIS CD2 C 118.030 0.400 1 928 140 140 HIS CE1 C 137.408 0.400 1 929 140 140 HIS N N 131.790 0.400 1 930 141 141 GLY H H 8.810 0.020 1 931 141 141 GLY HA2 H 4.228 0.020 2 932 141 141 GLY HA3 H 3.599 0.020 2 933 141 141 GLY C C 173.520 0.400 1 934 141 141 GLY CA C 45.460 0.400 1 935 141 141 GLY N N 102.360 0.400 1 936 142 142 ARG H H 7.450 0.020 1 937 142 142 ARG HA H 4.592 0.020 1 938 142 142 ARG HB3 H 1.657 0.020 2 939 142 142 ARG HG3 H 1.400 0.020 2 940 142 142 ARG HD3 H 3.065 0.020 2 941 142 142 ARG C C 174.454 0.400 1 942 142 142 ARG CA C 54.160 0.400 1 943 142 142 ARG CB C 33.620 0.400 1 944 142 142 ARG CG C 27.420 0.400 1 945 142 142 ARG CD C 42.976 0.400 1 946 142 142 ARG N N 118.870 0.400 1 947 143 143 GLN H H 8.480 0.020 1 948 143 143 GLN HA H 4.341 0.020 1 949 143 143 GLN HB2 H 1.980 0.020 2 950 143 143 GLN HB3 H 2.090 0.020 2 951 143 143 GLN HG3 H 2.344 0.020 2 952 143 143 GLN C C 175.864 0.400 1 953 143 143 GLN CA C 55.288 0.400 1 954 143 143 GLN CB C 29.500 0.400 1 955 143 143 GLN CG C 33.185 0.400 1 956 143 143 GLN N N 119.460 0.400 1 957 144 144 LEU H H 9.120 0.020 1 958 144 144 LEU HA H 4.499 0.020 1 959 144 144 LEU HB3 H 1.836 0.020 2 960 144 144 LEU HG H 1.526 0.020 1 961 144 144 LEU HD1 H 0.812 0.020 1 962 144 144 LEU HD2 H 0.577 0.020 1 963 144 144 LEU C C 177.321 0.400 1 964 144 144 LEU CA C 54.785 0.400 1 965 144 144 LEU CB C 44.220 0.400 1 966 144 144 LEU CG C 26.078 0.400 1 967 144 144 LEU CD1 C 23.262 0.400 1 968 144 144 LEU CD2 C 23.262 0.400 1 969 144 144 LEU N N 126.570 0.400 1 970 145 145 LYS H H 7.770 0.020 1 971 145 145 LYS HA H 5.189 0.020 1 972 145 145 LYS HB2 H 1.816 0.020 2 973 145 145 LYS HB3 H 1.634 0.020 2 974 145 145 LYS HG2 H 1.456 0.020 2 975 145 145 LYS HG3 H 1.511 0.020 2 976 145 145 LYS HD3 H 1.601 0.020 2 977 145 145 LYS HE3 H 2.733 0.020 2 978 145 145 LYS C C 177.374 0.400 1 979 145 145 LYS CA C 53.810 0.400 1 980 145 145 LYS CB C 33.710 0.400 1 981 145 145 LYS CG C 24.470 0.400 1 982 145 145 LYS CD C 28.627 0.400 1 983 145 145 LYS CE C 41.903 0.400 1 984 145 145 LYS N N 121.040 0.400 1 985 146 146 VAL H H 9.150 0.020 1 986 146 146 VAL HA H 4.966 0.020 1 987 146 146 VAL HB H 1.905 0.020 1 988 146 146 VAL HG1 H 1.030 0.020 1 989 146 146 VAL HG2 H 0.886 0.020 1 990 146 146 VAL C C 174.315 0.400 1 991 146 146 VAL CA C 61.830 0.400 1 992 146 146 VAL CB C 34.760 0.400 1 993 146 146 VAL CG1 C 22.191 0.400 1 994 146 146 VAL CG2 C 22.191 0.400 1 995 146 146 VAL N N 125.710 0.400 1 996 147 147 SER H H 9.010 0.020 1 997 147 147 SER HA H 4.785 0.020 1 998 147 147 SER HB3 H 3.931 0.020 2 999 147 147 SER C C 172.875 0.400 1 1000 147 147 SER CA C 56.820 0.400 1 1001 147 147 SER CB C 66.290 0.400 1 1002 147 147 SER N N 120.350 0.400 1 1003 148 148 ALA H H 9.000 0.020 1 1004 148 148 ALA HA H 4.380 0.020 1 1005 148 148 ALA HB H 1.396 0.020 1 1006 148 148 ALA C C 177.449 0.400 1 1007 148 148 ALA CA C 53.030 0.400 1 1008 148 148 ALA CB C 18.838 0.400 1 1009 148 148 ALA N N 124.950 0.400 1 1010 149 149 LYS H H 8.200 0.020 1 1011 149 149 LYS HA H 4.066 0.020 1 1012 149 149 LYS HB2 H 1.829 0.020 2 1013 149 149 LYS HB3 H 1.870 0.020 2 1014 149 149 LYS HG2 H 1.342 0.020 2 1015 149 149 LYS HG3 H 1.455 0.020 2 1016 149 149 LYS HD2 H 1.606 0.020 2 1017 149 149 LYS HD3 H 1.705 0.020 2 1018 149 149 LYS HE2 H 2.893 0.020 2 1019 149 149 LYS HE3 H 2.989 0.020 2 1020 149 149 LYS C C 175.910 0.400 1 1021 149 149 LYS CA C 58.420 0.400 1 1022 149 149 LYS CB C 33.723 0.400 1 1023 149 149 LYS CG C 25.070 0.400 1 1024 149 149 LYS CD C 29.164 0.400 1 1025 149 149 LYS CE C 41.233 0.400 1 1026 149 149 LYS N N 123.420 0.400 1 1027 150 150 ARG H H 8.360 0.020 1 1028 150 150 ARG HA H 4.313 0.020 1 1029 150 150 ARG HB2 H 1.759 0.020 2 1030 150 150 ARG HB3 H 1.832 0.020 2 1031 150 150 ARG HG2 H 1.690 0.020 2 1032 150 150 ARG HG3 H 1.690 0.020 2 1033 150 150 ARG HD2 H 3.142 0.020 2 1034 150 150 ARG HD3 H 3.179 0.020 2 1035 150 150 ARG C C 175.579 0.400 1 1036 150 150 ARG CA C 55.640 0.400 1 1037 150 150 ARG CB C 30.980 0.400 1 1038 150 150 ARG CG C 26.883 0.400 1 1039 150 150 ARG CD C 43.243 0.400 1 1040 150 150 ARG N N 120.500 0.400 1 1041 151 151 THR H H 8.100 0.020 1 1042 151 151 THR HA H 4.239 0.020 1 1043 151 151 THR HB H 4.128 0.020 1 1044 151 151 THR HG2 H 1.147 0.020 1 1045 151 151 THR C C 173.848 0.400 1 1046 151 151 THR CA C 61.780 0.400 1 1047 151 151 THR CB C 69.350 0.400 1 1048 151 151 THR CG2 C 21.162 0.400 1 1049 151 151 THR N N 116.330 0.400 1 1050 152 152 ASN H H 8.360 0.020 1 1051 152 152 ASN HA H 4.640 0.020 1 1052 152 152 ASN HB2 H 2.632 0.020 2 1053 152 152 ASN HB3 H 2.693 0.020 2 1054 152 152 ASN C C 174.129 0.400 1 1055 152 152 ASN CA C 53.150 0.400 1 1056 152 152 ASN CB C 38.890 0.400 1 1057 152 152 ASN N N 121.180 0.400 1 1058 153 153 ILE H H 8.030 0.020 1 1059 153 153 ILE HA H 4.390 0.020 1 1060 153 153 ILE HB H 1.804 0.020 1 1061 153 153 ILE HG12 H 1.054 0.020 2 1062 153 153 ILE HG13 H 1.397 0.020 2 1063 153 153 ILE HG2 H 0.862 0.020 1 1064 153 153 ILE HD1 H 0.766 0.020 1 1065 153 153 ILE C C 174.354 0.400 1 1066 153 153 ILE CA C 58.720 0.400 1 1067 153 153 ILE CB C 38.890 0.400 1 1068 153 153 ILE CG1 C 26.749 0.400 1 1069 153 153 ILE CG2 C 17.095 0.400 1 1070 153 153 ILE CD1 C 11.999 0.400 1 1071 153 153 ILE N N 122.730 0.400 1 stop_ save_