data_28028 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N backbone and side-chain assignment of the native form of UbcH7 (UBE2L3) ; _BMRB_accession_number 28028 _BMRB_flat_file_name bmr28028.str _Entry_type original _Submission_date 2019-10-09 _Accession_date 2019-10-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone and side-chain assignment of the native form of UbcH7 (UBE3L2)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marousis Konstantinos D. . 2 Seliami Anastasia . . 3 Birkou Maria . . 4 Spyroulias Georgios A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 970 "13C chemical shifts" 684 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-21 update BMRB 'update entry citation' 2020-01-30 original author 'original release' stop_ _Original_release_date 2019-10-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N backbone and side-chain resonance assignment of the native form of UbcH7 (UBE2L3) through solution NMR spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31792831 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marousis Konstantinos D. . 2 Birkou Maria . . 3 Asimakopoulou Antonia . . 4 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 73 _Page_last 78 _Year 2020 _Details . loop_ _Keyword 'E2 enzyme' 'Secondary Structure' 'Solution NMR Spectroscopy' UBC UBE2L3 UbcH7 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E2-Conjugating Enzyme' _Enzyme_commission_number 2.3.2.23 loop_ _Mol_system_component_name _Mol_label UbcH7 $UbcH7 stop_ _System_molecular_weight 17861.58 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Acts with HECT-type and RBR family E3 ubiquitin-protein ligases' 'E2-conjugating enzyme activity' 'Protein polyubiquitination' stop_ _Database_query_date . _Details Monomer save_ ######################## # Monomeric polymers # ######################## save_UbcH7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UbcH7 _Molecular_mass 17861.58 _Mol_thiol_state 'all free' loop_ _Biological_function 'Acts with HECT-type and RBR family E3 ubiquitin-protein ligases' 'E2 Ubiquitin-Conjugating Enzyme' 'Protein polyubiquitination' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 154 _Mol_residue_sequence ; MAASRRLMKELEEIRKCGMK NFRNIQVDEANLLTWQGLIV PDNPPYDKGAFRIEINFPAE YPFKPPKITFKTKIYHPNID EKGQVCLPVISAENWKPATK TDQVIQSLIALVNDPQPEHP LRADLAEEYSKDRKKFCKNA EEFTKKYGEKRPVD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 SER 5 ARG 6 ARG 7 LEU 8 MET 9 LYS 10 GLU 11 LEU 12 GLU 13 GLU 14 ILE 15 ARG 16 LYS 17 CYS 18 GLY 19 MET 20 LYS 21 ASN 22 PHE 23 ARG 24 ASN 25 ILE 26 GLN 27 VAL 28 ASP 29 GLU 30 ALA 31 ASN 32 LEU 33 LEU 34 THR 35 TRP 36 GLN 37 GLY 38 LEU 39 ILE 40 VAL 41 PRO 42 ASP 43 ASN 44 PRO 45 PRO 46 TYR 47 ASP 48 LYS 49 GLY 50 ALA 51 PHE 52 ARG 53 ILE 54 GLU 55 ILE 56 ASN 57 PHE 58 PRO 59 ALA 60 GLU 61 TYR 62 PRO 63 PHE 64 LYS 65 PRO 66 PRO 67 LYS 68 ILE 69 THR 70 PHE 71 LYS 72 THR 73 LYS 74 ILE 75 TYR 76 HIS 77 PRO 78 ASN 79 ILE 80 ASP 81 GLU 82 LYS 83 GLY 84 GLN 85 VAL 86 CYS 87 LEU 88 PRO 89 VAL 90 ILE 91 SER 92 ALA 93 GLU 94 ASN 95 TRP 96 LYS 97 PRO 98 ALA 99 THR 100 LYS 101 THR 102 ASP 103 GLN 104 VAL 105 ILE 106 GLN 107 SER 108 LEU 109 ILE 110 ALA 111 LEU 112 VAL 113 ASN 114 ASP 115 PRO 116 GLN 117 PRO 118 GLU 119 HIS 120 PRO 121 LEU 122 ARG 123 ALA 124 ASP 125 LEU 126 ALA 127 GLU 128 GLU 129 TYR 130 SER 131 LYS 132 ASP 133 ARG 134 LYS 135 LYS 136 PHE 137 CYS 138 LYS 139 ASN 140 ALA 141 GLU 142 GLU 143 PHE 144 THR 145 LYS 146 LYS 147 TYR 148 GLY 149 GLU 150 LYS 151 ARG 152 PRO 153 VAL 154 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P68036 UB2L3_HUMAN . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $UbcH7 Human 9606 Eukaryota Metazoa Homo sapiens UBE2L3 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 $UbcH7 'recombinant technology' . Escherichia coli BL21(DE3) pGEX-4T-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UbcH7 1.0 mM '[U-99% 15N]' K2HPO4/KH2PO4 50.0 mM 'natural abundance' stop_ save_ save_sample_15N-13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UbcH7 1.0 mM '[U-98% 13C; U-98% 15N]' K2HPO4/KH2PO4 50.0 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '3.5 PL5' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 700 _Details 'equipped with TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_15N save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_15N save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_15N save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_15N-13C save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_15N-13C save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_15N-13C save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_15N-13C save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_15N-13C save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_15N-13C save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_15N-13C save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_15N-13C save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_15N-13C save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_15N-13C save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_15N-13C 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 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '2D 1H-15N HSQC' '3D HNHA' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_15N $sample_15N-13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UbcH7 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.569 0.020 1 2 1 1 MET HB2 H 2.631 0.020 2 3 1 1 MET HB3 H 2.168 0.020 2 4 1 1 MET HG2 H 2.208 0.020 1 5 1 1 MET HG3 H 2.208 0.020 1 6 1 1 MET C C 176.953 0.3 1 7 1 1 MET CA C 56.575 0.3 1 8 1 1 MET CB C 32.184 0.3 1 9 1 1 MET CG C 31.836 0.3 1 10 2 2 ALA H H 8.529 0.020 1 11 2 2 ALA HA H 4.222 0.020 1 12 2 2 ALA HB H 1.564 0.020 1 13 2 2 ALA C C 179.946 0.3 1 14 2 2 ALA CA C 54.692 0.3 1 15 2 2 ALA CB C 18.185 0.3 1 16 2 2 ALA N N 124.943 0.3 1 17 3 3 ALA H H 8.528 0.020 1 18 3 3 ALA HA H 4.212 0.020 1 19 3 3 ALA HB H 1.634 0.020 1 20 3 3 ALA C C 179.080 0.3 1 21 3 3 ALA CA C 55.205 0.3 1 22 3 3 ALA CB C 19.185 0.3 1 23 3 3 ALA N N 122.419 0.3 1 24 4 4 SER H H 8.132 0.020 1 25 4 4 SER HA H 4.082 0.020 1 26 4 4 SER HB2 H 4.055 0.020 2 27 4 4 SER HB3 H 3.977 0.020 2 28 4 4 SER CA C 61.971 0.3 1 29 4 4 SER CB C 62.836 0.3 1 30 4 4 SER N N 112.614 0.3 1 31 5 5 ARG H H 8.099 0.020 1 32 5 5 ARG HA H 4.123 0.020 1 33 5 5 ARG HB2 H 1.945 0.020 1 34 5 5 ARG HB3 H 1.945 0.020 1 35 5 5 ARG HG2 H 1.839 0.020 2 36 5 5 ARG HG3 H 1.697 0.020 2 37 5 5 ARG HD2 H 3.246 0.020 1 38 5 5 ARG HD3 H 3.246 0.020 1 39 5 5 ARG C C 179.135 0.3 1 40 5 5 ARG CA C 59.279 0.3 1 41 5 5 ARG CB C 29.929 0.3 1 42 5 5 ARG CG C 27.535 0.3 1 43 5 5 ARG CD C 43.252 0.3 1 44 5 5 ARG N N 121.523 0.3 1 45 6 6 ARG H H 7.789 0.020 1 46 6 6 ARG HA H 4.239 0.020 1 47 6 6 ARG HB2 H 2.009 0.020 1 48 6 6 ARG HB3 H 2.009 0.020 1 49 6 6 ARG HG2 H 1.799 0.020 2 50 6 6 ARG HG3 H 1.688 0.020 2 51 6 6 ARG HD2 H 3.376 0.020 1 52 6 6 ARG HD3 H 3.376 0.020 1 53 6 6 ARG C C 178.395 0.3 1 54 6 6 ARG CA C 58.779 0.3 1 55 6 6 ARG CB C 29.456 0.3 1 56 6 6 ARG CG C 28.057 0.3 1 57 6 6 ARG CD C 43.257 0.3 1 58 6 6 ARG N N 120.123 0.3 1 59 7 7 LEU H H 8.625 0.020 1 60 7 7 LEU HA H 4.230 0.020 1 61 7 7 LEU HB2 H 1.842 0.020 2 62 7 7 LEU HB3 H 1.380 0.020 2 63 7 7 LEU HG H 1.381 0.020 1 64 7 7 LEU HD1 H 0.135 0.020 1 65 7 7 LEU HD2 H -0.419 0.020 1 66 7 7 LEU C C 178.850 0.3 1 67 7 7 LEU CA C 58.260 0.3 1 68 7 7 LEU CB C 42.463 0.3 1 69 7 7 LEU CG C 27.402 0.3 1 70 7 7 LEU CD1 C 25.182 0.3 1 71 7 7 LEU CD2 C 21.964 0.3 1 72 7 7 LEU N N 119.995 0.3 1 73 8 8 MET H H 8.360 0.020 1 74 8 8 MET HA H 4.124 0.020 1 75 8 8 MET HB2 H 2.698 0.020 2 76 8 8 MET HB3 H 2.206 0.020 2 77 8 8 MET C C 178.848 0.3 1 78 8 8 MET CA C 58.707 0.3 1 79 8 8 MET CB C 32.288 0.3 1 80 8 8 MET CE C 17.173 0.3 1 81 8 8 MET N N 118.103 0.3 1 82 9 9 LYS H H 7.437 0.020 1 83 9 9 LYS HA H 4.227 0.020 1 84 9 9 LYS HB2 H 2.101 0.020 2 85 9 9 LYS HB3 H 2.056 0.020 2 86 9 9 LYS HG2 H 1.397 0.020 1 87 9 9 LYS HG3 H 1.397 0.020 1 88 9 9 LYS HD2 H 1.722 0.020 1 89 9 9 LYS HD3 H 1.722 0.020 1 90 9 9 LYS HE2 H 3.005 0.020 1 91 9 9 LYS HE3 H 3.005 0.020 1 92 9 9 LYS C C 179.314 0.3 1 93 9 9 LYS CA C 58.839 0.3 1 94 9 9 LYS CB C 31.911 0.3 1 95 9 9 LYS CG C 24.736 0.3 1 96 9 9 LYS CD C 28.913 0.3 1 97 9 9 LYS CE C 41.903 0.3 1 98 9 9 LYS N N 120.043 0.3 1 99 10 10 GLU H H 8.565 0.020 1 100 10 10 GLU HA H 4.180 0.020 1 101 10 10 GLU HB2 H 2.539 0.020 2 102 10 10 GLU HB3 H 2.442 0.020 2 103 10 10 GLU HG2 H 2.851 0.020 2 104 10 10 GLU HG3 H 2.338 0.020 2 105 10 10 GLU C C 179.353 0.3 1 106 10 10 GLU CA C 60.640 0.3 1 107 10 10 GLU CB C 30.550 0.3 1 108 10 10 GLU CG C 38.177 0.3 1 109 10 10 GLU N N 119.602 0.3 1 110 11 11 LEU H H 8.792 0.020 1 111 11 11 LEU HA H 3.920 0.020 1 112 11 11 LEU HB2 H 1.814 0.020 2 113 11 11 LEU HB3 H 1.446 0.020 2 114 11 11 LEU HG H 1.183 0.020 1 115 11 11 LEU HD1 H 0.391 0.020 1 116 11 11 LEU HD2 H -0.076 0.020 1 117 11 11 LEU C C 178.147 0.3 1 118 11 11 LEU CA C 57.557 0.3 1 119 11 11 LEU CB C 41.415 0.3 1 120 11 11 LEU CG C 26.696 0.3 1 121 11 11 LEU CD1 C 25.808 0.3 1 122 11 11 LEU CD2 C 21.741 0.3 1 123 11 11 LEU N N 121.002 0.3 1 124 12 12 GLU H H 7.837 0.020 1 125 12 12 GLU HA H 3.970 0.020 1 126 12 12 GLU HB2 H 2.231 0.020 1 127 12 12 GLU HB3 H 2.231 0.020 1 128 12 12 GLU HG2 H 2.412 0.020 1 129 12 12 GLU HG3 H 2.412 0.020 1 130 12 12 GLU C C 179.534 0.3 1 131 12 12 GLU CA C 59.363 0.3 1 132 12 12 GLU CB C 29.269 0.3 1 133 12 12 GLU CG C 36.204 0.3 1 134 12 12 GLU N N 118.634 0.3 1 135 13 13 GLU H H 8.029 0.020 1 136 13 13 GLU HA H 4.047 0.020 1 137 13 13 GLU HB2 H 2.286 0.020 2 138 13 13 GLU HB3 H 2.126 0.020 2 139 13 13 GLU HG2 H 2.543 0.020 1 140 13 13 GLU HG3 H 2.543 0.020 1 141 13 13 GLU C C 179.656 0.3 1 142 13 13 GLU CA C 59.457 0.3 1 143 13 13 GLU CB C 29.513 0.3 1 144 13 13 GLU CG C 36.513 0.3 1 145 13 13 GLU N N 117.991 0.3 1 146 14 14 ILE H H 8.501 0.020 1 147 14 14 ILE HA H 4.069 0.020 1 148 14 14 ILE HB H 2.118 0.020 1 149 14 14 ILE HG12 H 1.993 0.020 2 150 14 14 ILE HG13 H 1.387 0.020 2 151 14 14 ILE HG2 H 1.092 0.020 1 152 14 14 ILE HD1 H 1.091 0.020 1 153 14 14 ILE C C 178.921 0.3 1 154 14 14 ILE CA C 64.852 0.3 1 155 14 14 ILE CB C 38.042 0.3 1 156 14 14 ILE CG1 C 30.458 0.3 1 157 14 14 ILE CG2 C 17.552 0.3 1 158 14 14 ILE CD1 C 13.876 0.3 1 159 14 14 ILE N N 121.636 0.3 1 160 15 15 ARG H H 8.367 0.020 1 161 15 15 ARG HA H 3.970 0.020 1 162 15 15 ARG HB2 H 1.862 0.020 1 163 15 15 ARG HB3 H 1.862 0.020 1 164 15 15 ARG HG2 H 1.558 0.020 1 165 15 15 ARG HG3 H 1.558 0.020 1 166 15 15 ARG HD2 H 3.012 0.020 1 167 15 15 ARG HD3 H 3.012 0.020 1 168 15 15 ARG C C 178.430 0.3 1 169 15 15 ARG CA C 59.598 0.3 1 170 15 15 ARG CB C 30.250 0.3 1 171 15 15 ARG CG C 28.537 0.3 1 172 15 15 ARG CD C 43.737 0.3 1 173 15 15 ARG N N 120.302 0.3 1 174 16 16 LYS H H 7.725 0.020 1 175 16 16 LYS HA H 4.212 0.020 1 176 16 16 LYS HB2 H 1.965 0.020 1 177 16 16 LYS HB3 H 1.965 0.020 1 178 16 16 LYS HG2 H 1.610 0.020 1 179 16 16 LYS HG3 H 1.610 0.020 1 180 16 16 LYS HD2 H 1.708 0.020 1 181 16 16 LYS HD3 H 1.708 0.020 1 182 16 16 LYS HE2 H 2.976 0.020 1 183 16 16 LYS HE3 H 2.976 0.020 1 184 16 16 LYS C C 177.863 0.3 1 185 16 16 LYS CA C 58.117 0.3 1 186 16 16 LYS CB C 33.089 0.3 1 187 16 16 LYS CG C 25.071 0.3 1 188 16 16 LYS CD C 29.092 0.3 1 189 16 16 LYS CE C 41.925 0.3 1 190 16 16 LYS N N 117.816 0.3 1 191 17 17 CYS H H 7.826 0.020 1 192 17 17 CYS HA H 4.468 0.020 1 193 17 17 CYS HB2 H 3.114 0.020 1 194 17 17 CYS HB3 H 3.114 0.020 1 195 17 17 CYS C C 175.680 0.3 1 196 17 17 CYS CA C 60.235 0.3 1 197 17 17 CYS CB C 28.021 0.3 1 198 17 17 CYS N N 116.451 0.3 1 199 18 18 GLY H H 8.088 0.020 1 200 18 18 GLY HA2 H 3.978 0.020 1 201 18 18 GLY HA3 H 3.978 0.020 1 202 18 18 GLY C C 174.343 0.3 1 203 18 18 GLY CA C 46.382 0.3 1 204 18 18 GLY N N 109.844 0.3 1 205 19 19 MET H H 8.668 0.020 1 206 19 19 MET HA H 4.426 0.020 1 207 19 19 MET HB2 H 2.347 0.020 1 208 19 19 MET HB3 H 2.347 0.020 1 209 19 19 MET HG2 H 2.748 0.020 1 210 19 19 MET HG3 H 2.748 0.020 1 211 19 19 MET C C 176.702 0.3 1 212 19 19 MET CA C 56.318 0.3 1 213 19 19 MET CB C 34.158 0.3 1 214 19 19 MET CG C 32.783 0.3 1 215 19 19 MET N N 119.732 0.3 1 216 20 20 LYS H H 8.738 0.020 1 217 20 20 LYS HA H 4.169 0.020 1 218 20 20 LYS HB2 H 1.860 0.020 1 219 20 20 LYS HB3 H 1.860 0.020 1 220 20 20 LYS HG2 H 1.458 0.020 1 221 20 20 LYS HG3 H 1.458 0.020 1 222 20 20 LYS HD2 H 1.718 0.020 1 223 20 20 LYS HD3 H 1.718 0.020 1 224 20 20 LYS HE2 H 2.731 0.020 1 225 20 20 LYS HE3 H 2.731 0.020 1 226 20 20 LYS C C 177.345 0.3 1 227 20 20 LYS CA C 58.152 0.3 1 228 20 20 LYS CB C 32.476 0.3 1 229 20 20 LYS CG C 24.699 0.3 1 230 20 20 LYS CD C 29.071 0.3 1 231 20 20 LYS CE C 41.826 0.3 1 232 20 20 LYS N N 123.108 0.3 1 233 21 21 ASN H H 8.245 0.020 1 234 21 21 ASN HA H 4.871 0.020 1 235 21 21 ASN HB2 H 3.087 0.020 2 236 21 21 ASN HB3 H 2.876 0.020 2 237 21 21 ASN HD21 H 7.980 0.020 1 238 21 21 ASN HD22 H 7.318 0.020 1 239 21 21 ASN C C 173.638 0.3 1 240 21 21 ASN CA C 53.622 0.3 1 241 21 21 ASN CB C 38.960 0.3 1 242 21 21 ASN N N 111.698 0.3 1 243 21 21 ASN ND2 N 111.372 0.3 1 244 22 22 PHE H H 7.177 0.020 1 245 22 22 PHE HA H 5.736 0.020 1 246 22 22 PHE HB2 H 3.127 0.020 2 247 22 22 PHE HB3 H 2.690 0.020 2 248 22 22 PHE HD1 H 7.164 0.020 1 249 22 22 PHE HE1 H 6.942 0.020 1 250 22 22 PHE HE2 H 6.942 0.020 1 251 22 22 PHE C C 173.034 0.3 1 252 22 22 PHE CA C 55.757 0.3 1 253 22 22 PHE CB C 40.475 0.3 1 254 22 22 PHE CD1 C 131.748 0.3 1 255 22 22 PHE CE1 C 130.370 0.3 1 256 22 22 PHE N N 120.720 0.3 1 257 23 23 ARG H H 8.929 0.020 1 258 23 23 ARG HA H 4.614 0.020 1 259 23 23 ARG HB2 H 1.907 0.020 2 260 23 23 ARG HB3 H 1.470 0.020 2 261 23 23 ARG HG2 H 1.477 0.020 1 262 23 23 ARG HG3 H 1.477 0.020 1 263 23 23 ARG HD2 H 3.091 0.020 1 264 23 23 ARG HD3 H 3.091 0.020 1 265 23 23 ARG C C 173.786 0.3 1 266 23 23 ARG CA C 52.944 0.3 1 267 23 23 ARG CB C 33.992 0.3 1 268 23 23 ARG CG C 26.019 0.3 1 269 23 23 ARG CD C 42.815 0.3 1 270 23 23 ARG N N 122.636 0.3 1 271 24 24 ASN H H 8.778 0.020 1 272 24 24 ASN HA H 4.120 0.020 1 273 24 24 ASN HB2 H 2.853 0.020 2 274 24 24 ASN HB3 H 2.582 0.020 2 275 24 24 ASN HD21 H 7.252 0.020 1 276 24 24 ASN HD22 H 6.811 0.020 1 277 24 24 ASN C C 173.786 0.3 1 278 24 24 ASN CA C 53.281 0.3 1 279 24 24 ASN CB C 36.184 0.3 1 280 24 24 ASN N N 117.094 0.3 1 281 24 24 ASN ND2 N 110.313 0.3 1 282 25 25 ILE H H 7.941 0.020 1 283 25 25 ILE HA H 4.199 0.020 1 284 25 25 ILE HB H 1.397 0.020 1 285 25 25 ILE HG12 H 0.981 0.020 2 286 25 25 ILE HG13 H 0.204 0.020 2 287 25 25 ILE HG2 H 0.474 0.020 1 288 25 25 ILE HD1 H 0.608 0.020 1 289 25 25 ILE C C 177.019 0.3 1 290 25 25 ILE CA C 61.894 0.3 1 291 25 25 ILE CB C 37.777 0.3 1 292 25 25 ILE CG1 C 28.059 0.3 1 293 25 25 ILE CG2 C 17.208 0.3 1 294 25 25 ILE CD1 C 14.887 0.3 1 295 25 25 ILE N N 118.246 0.3 1 296 26 26 GLN H H 9.201 0.020 1 297 26 26 GLN HA H 4.605 0.020 1 298 26 26 GLN HB2 H 1.938 0.020 2 299 26 26 GLN HB3 H 1.796 0.020 2 300 26 26 GLN HG2 H 2.231 0.020 2 301 26 26 GLN HG3 H 2.171 0.020 2 302 26 26 GLN HE21 H 7.423 0.020 1 303 26 26 GLN HE22 H 6.723 0.020 1 304 26 26 GLN C C 174.268 0.3 1 305 26 26 GLN CA C 54.702 0.3 1 306 26 26 GLN CB C 31.883 0.3 1 307 26 26 GLN CG C 33.384 0.3 1 308 26 26 GLN N N 130.396 0.3 1 309 26 26 GLN NE2 N 111.872 0.3 1 310 27 27 VAL H H 8.305 0.020 1 311 27 27 VAL HA H 4.420 0.020 1 312 27 27 VAL HB H 1.674 0.020 1 313 27 27 VAL HG1 H 0.378 0.020 1 314 27 27 VAL HG2 H 0.621 0.020 1 315 27 27 VAL C C 174.610 0.3 1 316 27 27 VAL CA C 60.800 0.3 1 317 27 27 VAL CB C 35.047 0.3 1 318 27 27 VAL CG1 C 20.561 0.3 1 319 27 27 VAL CG2 C 21.191 0.3 1 320 27 27 VAL N N 123.362 0.3 1 321 28 28 ASP H H 8.928 0.020 1 322 28 28 ASP HA H 4.604 0.020 1 323 28 28 ASP HB2 H 2.927 0.020 2 324 28 28 ASP HB3 H 2.610 0.020 2 325 28 28 ASP C C 177.031 0.3 1 326 28 28 ASP CA C 53.518 0.3 1 327 28 28 ASP CB C 41.861 0.3 1 328 28 28 ASP N N 127.630 0.3 1 329 29 29 GLU H H 8.818 0.020 1 330 29 29 GLU HA H 3.870 0.020 1 331 29 29 GLU HB2 H 2.072 0.020 2 332 29 29 GLU HB3 H 1.961 0.020 2 333 29 29 GLU HG2 H 2.248 0.020 1 334 29 29 GLU HG3 H 2.248 0.020 1 335 29 29 GLU C C 176.609 0.3 1 336 29 29 GLU CA C 58.899 0.3 1 337 29 29 GLU CB C 29.260 0.3 1 338 29 29 GLU CG C 36.606 0.3 1 339 29 29 GLU N N 125.865 0.3 1 340 30 30 ALA H H 8.465 0.020 1 341 30 30 ALA HA H 4.315 0.020 1 342 30 30 ALA HB H 1.409 0.020 1 343 30 30 ALA C C 177.936 0.3 1 344 30 30 ALA CA C 52.848 0.3 1 345 30 30 ALA CB C 19.110 0.3 1 346 30 30 ALA N N 120.202 0.3 1 347 31 31 ASN H H 8.033 0.020 1 348 31 31 ASN HA H 4.849 0.020 1 349 31 31 ASN HB2 H 2.869 0.020 2 350 31 31 ASN HB3 H 2.769 0.020 2 351 31 31 ASN HD21 H 7.728 0.020 1 352 31 31 ASN HD22 H 6.853 0.020 1 353 31 31 ASN C C 174.071 0.3 1 354 31 31 ASN CA C 52.420 0.3 1 355 31 31 ASN CB C 38.498 0.3 1 356 31 31 ASN N N 115.478 0.3 1 357 31 31 ASN ND2 N 111.857 0.3 1 358 32 32 LEU H H 8.636 0.020 1 359 32 32 LEU HA H 4.094 0.020 1 360 32 32 LEU HB2 H 1.737 0.020 2 361 32 32 LEU HB3 H 1.778 0.020 2 362 32 32 LEU HG H 1.777 0.020 1 363 32 32 LEU HD1 H 0.963 0.020 1 364 32 32 LEU HD2 H 0.857 0.020 1 365 32 32 LEU C C 175.305 0.3 1 366 32 32 LEU CA C 56.429 0.3 1 367 32 32 LEU CB C 42.036 0.3 1 368 32 32 LEU CG C 27.817 0.3 1 369 32 32 LEU CD1 C 25.719 0.3 1 370 32 32 LEU CD2 C 24.362 0.3 1 371 32 32 LEU N N 121.959 0.3 1 372 33 33 LEU H H 7.510 0.020 1 373 33 33 LEU HA H 4.314 0.020 1 374 33 33 LEU HB2 H 2.418 0.020 2 375 33 33 LEU HB3 H 1.747 0.020 2 376 33 33 LEU HG H 1.555 0.020 1 377 33 33 LEU HD1 H 0.887 0.020 1 378 33 33 LEU HD2 H 0.662 0.020 1 379 33 33 LEU C C 176.594 0.3 1 380 33 33 LEU CA C 56.332 0.3 1 381 33 33 LEU CB C 39.910 0.3 1 382 33 33 LEU CG C 27.950 0.3 1 383 33 33 LEU CD1 C 24.958 0.3 1 384 33 33 LEU CD2 C 22.365 0.3 1 385 33 33 LEU N N 112.516 0.3 1 386 34 34 THR H H 7.386 0.020 1 387 34 34 THR HA H 5.526 0.020 1 388 34 34 THR HB H 3.973 0.020 1 389 34 34 THR HG2 H 1.196 0.020 1 390 34 34 THR C C 173.577 0.3 1 391 34 34 THR CA C 62.021 0.3 1 392 34 34 THR CB C 71.433 0.3 1 393 34 34 THR CG2 C 21.955 0.3 1 394 34 34 THR N N 114.168 0.3 1 395 35 35 TRP H H 9.634 0.020 1 396 35 35 TRP HA H 5.755 0.020 1 397 35 35 TRP HB2 H 3.251 0.020 2 398 35 35 TRP HB3 H 3.100 0.020 2 399 35 35 TRP HD1 H 6.984 0.020 1 400 35 35 TRP HE1 H 9.388 0.020 1 401 35 35 TRP HE3 H 7.224 0.020 1 402 35 35 TRP HZ2 H 7.229 0.020 1 403 35 35 TRP HH2 H 6.846 0.020 1 404 35 35 TRP C C 175.634 0.3 1 405 35 35 TRP CA C 53.692 0.3 1 406 35 35 TRP CB C 32.924 0.3 1 407 35 35 TRP CD1 C 124.854 0.3 1 408 35 35 TRP CE3 C 118.535 0.3 1 409 35 35 TRP CZ2 C 115.243 0.3 1 410 35 35 TRP CH2 C 123.202 0.3 1 411 35 35 TRP N N 127.661 0.3 1 412 35 35 TRP NE1 N 127.063 0.3 1 413 36 36 GLN H H 8.780 0.020 1 414 36 36 GLN HA H 5.636 0.020 1 415 36 36 GLN HB2 H 2.245 0.020 2 416 36 36 GLN HB3 H 2.050 0.020 2 417 36 36 GLN HG2 H 2.462 0.020 1 418 36 36 GLN HG3 H 2.462 0.020 1 419 36 36 GLN HE21 H 7.828 0.020 1 420 36 36 GLN HE22 H 6.911 0.020 1 421 36 36 GLN C C 175.056 0.3 1 422 36 36 GLN CA C 54.271 0.3 1 423 36 36 GLN CB C 33.103 0.3 1 424 36 36 GLN CG C 34.092 0.3 1 425 36 36 GLN N N 118.729 0.3 1 426 36 36 GLN NE2 N 111.539 0.3 1 427 37 37 GLY H H 8.149 0.020 1 428 37 37 GLY HA2 H 4.221 0.020 2 429 37 37 GLY HA3 H 3.452 0.020 2 430 37 37 GLY C C 170.274 0.3 1 431 37 37 GLY CA C 45.754 0.3 1 432 37 37 GLY N N 103.891 0.3 1 433 38 38 LEU H H 8.643 0.020 1 434 38 38 LEU HA H 5.023 0.020 1 435 38 38 LEU HB2 H 1.354 0.020 2 436 38 38 LEU HB3 H 1.271 0.020 2 437 38 38 LEU HG H 1.271 0.020 1 438 38 38 LEU HD1 H 0.683 0.020 1 439 38 38 LEU HD2 H 0.622 0.020 1 440 38 38 LEU C C 176.383 0.3 1 441 38 38 LEU CA C 53.130 0.3 1 442 38 38 LEU CB C 45.608 0.3 1 443 38 38 LEU CG C 26.401 0.3 1 444 38 38 LEU CD1 C 24.494 0.3 1 445 38 38 LEU CD2 C 24.705 0.3 1 446 38 38 LEU N N 120.686 0.3 1 447 39 39 ILE H H 9.677 0.020 1 448 39 39 ILE HA H 5.140 0.020 1 449 39 39 ILE HB H 2.216 0.020 1 450 39 39 ILE HG12 H 1.587 0.020 2 451 39 39 ILE HG13 H 1.424 0.020 2 452 39 39 ILE HG2 H 0.964 0.020 1 453 39 39 ILE HD1 H 0.741 0.020 1 454 39 39 ILE C C 176.383 0.3 1 455 39 39 ILE CA C 59.408 0.3 1 456 39 39 ILE CB C 37.993 0.3 1 457 39 39 ILE CG1 C 27.352 0.3 1 458 39 39 ILE CG2 C 16.908 0.3 1 459 39 39 ILE CD1 C 12.622 0.3 1 460 39 39 ILE N N 124.555 0.3 1 461 40 40 VAL H H 8.646 0.020 1 462 40 40 VAL HA H 4.639 0.020 1 463 40 40 VAL HB H 2.242 0.020 1 464 40 40 VAL HG1 H 0.943 0.020 1 465 40 40 VAL HG2 H 0.751 0.020 1 466 40 40 VAL C C 173.086 0.3 1 467 40 40 VAL CA C 59.616 0.3 1 468 40 40 VAL CB C 32.330 0.3 1 469 40 40 VAL CG1 C 22.055 0.3 1 470 40 40 VAL CG2 C 20.891 0.3 1 471 40 40 VAL N N 129.136 0.3 1 472 41 41 PRO HA H 4.492 0.020 1 473 41 41 PRO HB2 H 2.654 0.020 2 474 41 41 PRO HB3 H 2.025 0.020 2 475 41 41 PRO HG2 H 2.411 0.020 1 476 41 41 PRO HG3 H 2.411 0.020 1 477 41 41 PRO HD2 H 4.367 0.020 2 478 41 41 PRO HD3 H 4.225 0.020 2 479 41 41 PRO C C 176.495 0.3 1 480 41 41 PRO CA C 63.260 0.3 1 481 41 41 PRO CB C 33.240 0.3 1 482 41 41 PRO CG C 28.718 0.3 1 483 41 41 PRO CD C 50.768 0.3 1 484 42 42 ASP H H 9.109 0.020 1 485 42 42 ASP HA H 4.923 0.020 1 486 42 42 ASP HB2 H 2.813 0.020 2 487 42 42 ASP HB3 H 2.588 0.020 2 488 42 42 ASP C C 175.932 0.3 1 489 42 42 ASP CA C 55.277 0.3 1 490 42 42 ASP CB C 43.372 0.3 1 491 42 42 ASP N N 119.027 0.3 1 492 43 43 ASN H H 7.805 0.020 1 493 43 43 ASN HA H 5.488 0.020 1 494 43 43 ASN HB2 H 2.991 0.020 2 495 43 43 ASN HB3 H 2.907 0.020 2 496 43 43 ASN HD21 H 7.435 0.020 1 497 43 43 ASN HD22 H 7.022 0.020 1 498 43 43 ASN C C 173.185 0.3 1 499 43 43 ASN CA C 50.564 0.3 1 500 43 43 ASN CB C 39.717 0.3 1 501 43 43 ASN N N 116.610 0.3 1 502 43 43 ASN ND2 N 112.615 0.3 1 503 44 44 PRO HA H 4.768 0.020 1 504 44 44 PRO HB2 H 2.440 0.020 2 505 44 44 PRO HB3 H 1.840 0.020 2 506 44 44 PRO HG2 H 2.148 0.020 1 507 44 44 PRO HG3 H 2.148 0.020 1 508 44 44 PRO HD2 H 3.978 0.020 2 509 44 44 PRO HD3 H 3.798 0.020 2 510 44 44 PRO CA C 62.308 0.3 1 511 44 44 PRO CB C 30.701 0.3 1 512 44 44 PRO CG C 27.406 0.3 1 513 44 44 PRO CD C 51.273 0.3 1 514 45 45 PRO HA H 4.788 0.020 1 515 45 45 PRO HB2 H 2.392 0.020 2 516 45 45 PRO HB3 H 2.032 0.020 2 517 45 45 PRO HG2 H 1.930 0.020 1 518 45 45 PRO HG3 H 1.930 0.020 1 519 45 45 PRO HD2 H 3.551 0.020 2 520 45 45 PRO HD3 H 3.449 0.020 2 521 45 45 PRO C C 175.047 0.3 1 522 45 45 PRO CA C 63.828 0.3 1 523 45 45 PRO CB C 33.386 0.3 1 524 45 45 PRO CG C 25.632 0.3 1 525 45 45 PRO CD C 48.868 0.3 1 526 46 46 TYR H H 8.167 0.020 1 527 46 46 TYR HA H 5.142 0.020 1 528 46 46 TYR HB2 H 3.741 0.020 2 529 46 46 TYR HB3 H 2.643 0.020 2 530 46 46 TYR HD1 H 7.239 0.020 1 531 46 46 TYR HD2 H 7.239 0.020 1 532 46 46 TYR C C 174.420 0.3 1 533 46 46 TYR CA C 58.714 0.3 1 534 46 46 TYR CB C 40.074 0.3 1 535 46 46 TYR CD2 C 131.567 0.3 1 536 46 46 TYR N N 121.557 0.3 1 537 47 47 ASP H H 8.114 0.020 1 538 47 47 ASP HA H 4.343 0.020 1 539 47 47 ASP HB2 H 2.832 0.020 2 540 47 47 ASP HB3 H 2.072 0.020 2 541 47 47 ASP C C 176.183 0.3 1 542 47 47 ASP CA C 55.004 0.3 1 543 47 47 ASP CB C 38.915 0.3 1 544 47 47 ASP N N 116.030 0.3 1 545 48 48 LYS H H 8.128 0.020 1 546 48 48 LYS HA H 4.519 0.020 1 547 48 48 LYS HB2 H 2.026 0.020 2 548 48 48 LYS HB3 H 1.741 0.020 2 549 48 48 LYS HG2 H 1.368 0.020 1 550 48 48 LYS HG3 H 1.368 0.020 1 551 48 48 LYS HD2 H 1.549 0.020 1 552 48 48 LYS HD3 H 1.549 0.020 1 553 48 48 LYS HE2 H 2.967 0.020 1 554 48 48 LYS HE3 H 2.967 0.020 1 555 48 48 LYS C C 176.613 0.3 1 556 48 48 LYS CA C 54.941 0.3 1 557 48 48 LYS CB C 31.169 0.3 1 558 48 48 LYS CG C 25.070 0.3 1 559 48 48 LYS CD C 28.273 0.3 1 560 48 48 LYS CE C 42.894 0.3 1 561 48 48 LYS N N 115.696 0.3 1 562 49 49 GLY H H 7.720 0.020 1 563 49 49 GLY HA2 H 4.562 0.020 2 564 49 49 GLY HA3 H 3.227 0.020 2 565 49 49 GLY C C 187.570 0.3 1 566 49 49 GLY CA C 44.483 0.3 1 567 49 49 GLY N N 107.290 0.3 1 568 50 50 ALA H H 7.652 0.020 1 569 50 50 ALA HA H 4.963 0.020 1 570 50 50 ALA HB H 1.187 0.020 1 571 50 50 ALA C C 174.376 0.3 1 572 50 50 ALA CA C 50.412 0.3 1 573 50 50 ALA CB C 22.705 0.3 1 574 50 50 ALA N N 118.725 0.3 1 575 51 51 PHE H H 8.809 0.020 1 576 51 51 PHE HA H 4.828 0.020 1 577 51 51 PHE HB2 H 3.058 0.020 2 578 51 51 PHE HB3 H 2.823 0.020 2 579 51 51 PHE HD1 H 7.020 0.020 1 580 51 51 PHE C C 173.830 0.3 1 581 51 51 PHE CA C 57.554 0.3 1 582 51 51 PHE CB C 43.392 0.3 1 583 51 51 PHE CD1 C 117.781 0.3 1 584 51 51 PHE N N 115.422 0.3 1 585 52 52 ARG H H 10.033 0.020 1 586 52 52 ARG HA H 4.853 0.020 1 587 52 52 ARG HB2 H 1.907 0.020 2 588 52 52 ARG HB3 H 1.705 0.020 2 589 52 52 ARG HG2 H 1.422 0.020 1 590 52 52 ARG HG3 H 1.422 0.020 1 591 52 52 ARG HD2 H 3.236 0.020 1 592 52 52 ARG HD3 H 3.236 0.020 1 593 52 52 ARG C C 176.315 0.3 1 594 52 52 ARG CA C 56.325 0.3 1 595 52 52 ARG CB C 30.763 0.3 1 596 52 52 ARG CG C 28.072 0.3 1 597 52 52 ARG CD C 42.809 0.3 1 598 52 52 ARG N N 126.736 0.3 1 599 53 53 ILE H H 8.915 0.020 1 600 53 53 ILE HA H 5.036 0.020 1 601 53 53 ILE HB H 1.288 0.020 1 602 53 53 ILE HG12 H 1.258 0.020 2 603 53 53 ILE HG13 H 0.822 0.020 2 604 53 53 ILE HG2 H -0.145 0.020 1 605 53 53 ILE HD1 H 0.377 0.020 1 606 53 53 ILE C C 173.578 0.3 1 607 53 53 ILE CA C 58.621 0.3 1 608 53 53 ILE CB C 42.473 0.3 1 609 53 53 ILE CG1 C 25.160 0.3 1 610 53 53 ILE CG2 C 16.639 0.3 1 611 53 53 ILE CD1 C 14.431 0.3 1 612 53 53 ILE N N 117.839 0.3 1 613 54 54 GLU H H 8.988 0.020 1 614 54 54 GLU HA H 5.267 0.020 1 615 54 54 GLU HB2 H 1.897 0.020 2 616 54 54 GLU HB3 H 1.798 0.020 2 617 54 54 GLU HG2 H 2.166 0.020 2 618 54 54 GLU HG3 H 1.971 0.020 2 619 54 54 GLU C C 174.346 0.3 1 620 54 54 GLU CA C 54.628 0.3 1 621 54 54 GLU CB C 34.568 0.3 1 622 54 54 GLU CG C 37.677 0.3 1 623 54 54 GLU N N 121.666 0.3 1 624 55 55 ILE H H 9.410 0.020 1 625 55 55 ILE HA H 4.426 0.020 1 626 55 55 ILE HB H 1.327 0.020 1 627 55 55 ILE HG12 H 1.293 0.020 2 628 55 55 ILE HG13 H 0.408 0.020 2 629 55 55 ILE HG2 H -0.335 0.020 1 630 55 55 ILE HD1 H 0.581 0.020 1 631 55 55 ILE C C 173.959 0.3 1 632 55 55 ILE CA C 59.892 0.3 1 633 55 55 ILE CB C 39.720 0.3 1 634 55 55 ILE CG1 C 26.913 0.3 1 635 55 55 ILE CG2 C 17.910 0.3 1 636 55 55 ILE CD1 C 13.754 0.3 1 637 55 55 ILE N N 125.866 0.3 1 638 56 56 ASN H H 8.690 0.020 1 639 56 56 ASN HA H 5.451 0.020 1 640 56 56 ASN HB2 H 2.532 0.020 2 641 56 56 ASN HB3 H 2.346 0.020 2 642 56 56 ASN HD21 H 7.464 0.020 1 643 56 56 ASN HD22 H 7.820 0.020 1 644 56 56 ASN C C 174.066 0.3 1 645 56 56 ASN CA C 52.091 0.3 1 646 56 56 ASN CB C 41.821 0.3 1 647 56 56 ASN N N 123.827 0.3 1 648 56 56 ASN ND2 N 114.703 0.3 1 649 57 57 PHE H H 9.651 0.020 1 650 57 57 PHE HA H 4.263 0.020 1 651 57 57 PHE HB2 H 2.667 0.020 2 652 57 57 PHE HB3 H 2.205 0.020 2 653 57 57 PHE HD1 H 7.328 0.020 1 654 57 57 PHE C C 172.721 0.3 1 655 57 57 PHE CA C 55.743 0.3 1 656 57 57 PHE CB C 39.091 0.3 1 657 57 57 PHE CD1 C 125.319 0.3 1 658 57 57 PHE N N 127.192 0.3 1 659 58 58 PRO HA H 4.582 0.020 1 660 58 58 PRO HB2 H 2.246 0.020 1 661 58 58 PRO HB3 H 2.246 0.020 1 662 58 58 PRO HG2 H 1.719 0.020 1 663 58 58 PRO HG3 H 1.719 0.020 1 664 58 58 PRO HD2 H 3.670 0.020 2 665 58 58 PRO HD3 H 3.398 0.020 2 666 58 58 PRO C C 176.388 0.3 1 667 58 58 PRO CA C 61.832 0.3 1 668 58 58 PRO CB C 31.220 0.3 1 669 58 58 PRO CG C 27.513 0.3 1 670 58 58 PRO CD C 51.021 0.3 1 671 59 59 ALA H H 8.783 0.020 1 672 59 59 ALA HA H 3.969 0.020 1 673 59 59 ALA HB H 1.434 0.020 1 674 59 59 ALA C C 178.849 0.3 1 675 59 59 ALA CA C 54.945 0.3 1 676 59 59 ALA CB C 17.867 0.3 1 677 59 59 ALA N N 122.641 0.3 1 678 60 60 GLU H H 8.434 0.020 1 679 60 60 GLU HA H 4.386 0.020 1 680 60 60 GLU HB2 H 2.456 0.020 2 681 60 60 GLU HB3 H 1.789 0.020 2 682 60 60 GLU HG2 H 2.470 0.020 2 683 60 60 GLU HG3 H 2.265 0.020 2 684 60 60 GLU C C 176.524 0.3 1 685 60 60 GLU CA C 56.863 0.3 1 686 60 60 GLU CB C 29.341 0.3 1 687 60 60 GLU CG C 36.894 0.3 1 688 60 60 GLU N N 111.116 0.3 1 689 61 61 TYR H H 8.100 0.020 1 690 61 61 TYR HA H 4.659 0.020 1 691 61 61 TYR HB2 H 3.295 0.020 2 692 61 61 TYR HB3 H 2.929 0.020 2 693 61 61 TYR HD1 H 7.543 0.020 1 694 61 61 TYR HD2 H 7.543 0.020 1 695 61 61 TYR C C 174.140 0.3 1 696 61 61 TYR CA C 58.145 0.3 1 697 61 61 TYR CB C 39.407 0.3 1 698 61 61 TYR CD1 C 133.168 0.3 1 699 61 61 TYR N N 124.074 0.3 1 700 62 62 PRO HA H 3.901 0.020 1 701 62 62 PRO HB2 H 2.386 0.020 2 702 62 62 PRO HB3 H 0.755 0.020 2 703 62 62 PRO HG2 H 0.418 0.020 1 704 62 62 PRO HG3 H 0.418 0.020 1 705 62 62 PRO HD2 H 3.022 0.020 1 706 62 62 PRO HD3 H 3.022 0.020 1 707 62 62 PRO C C 175.086 0.3 1 708 62 62 PRO CA C 63.605 0.3 1 709 62 62 PRO CB C 33.177 0.3 1 710 62 62 PRO CG C 24.800 0.3 1 711 62 62 PRO CD C 49.201 0.3 1 712 63 63 PHE H H 9.255 0.020 1 713 63 63 PHE HA H 4.415 0.020 1 714 63 63 PHE HB2 H 3.413 0.020 2 715 63 63 PHE HB3 H 3.154 0.020 2 716 63 63 PHE HD1 H 7.384 0.020 1 717 63 63 PHE HD2 H 7.384 0.020 1 718 63 63 PHE C C 175.335 0.3 1 719 63 63 PHE CA C 60.726 0.3 1 720 63 63 PHE CB C 38.111 0.3 1 721 63 63 PHE CD1 C 131.432 0.3 1 722 63 63 PHE N N 125.661 0.3 1 723 64 64 LYS H H 7.027 0.020 1 724 64 64 LYS HA H 4.458 0.020 1 725 64 64 LYS HB2 H 1.856 0.020 2 726 64 64 LYS HB3 H 1.160 0.020 2 727 64 64 LYS HG2 H 1.454 0.020 1 728 64 64 LYS HG3 H 1.454 0.020 1 729 64 64 LYS HD2 H 1.642 0.020 1 730 64 64 LYS HD3 H 1.642 0.020 1 731 64 64 LYS HE2 H 2.971 0.020 1 732 64 64 LYS HE3 H 2.971 0.020 1 733 64 64 LYS C C 171.816 0.3 1 734 64 64 LYS CA C 52.545 0.3 1 735 64 64 LYS CB C 35.876 0.3 1 736 64 64 LYS CG C 25.537 0.3 1 737 64 64 LYS CD C 28.954 0.3 1 738 64 64 LYS CE C 41.980 0.3 1 739 64 64 LYS N N 117.529 0.3 1 740 65 65 PRO HA H 2.703 0.020 1 741 65 65 PRO HB2 H 1.601 0.020 2 742 65 65 PRO HB3 H 1.145 0.020 2 743 65 65 PRO HG2 H 1.506 0.020 1 744 65 65 PRO HG3 H 1.506 0.020 1 745 65 65 PRO HD2 H 3.390 0.020 2 746 65 65 PRO HD3 H 3.095 0.020 2 747 65 65 PRO CA C 59.691 0.3 1 748 65 65 PRO CB C 31.299 0.3 1 749 65 65 PRO CG C 25.967 0.3 1 750 65 65 PRO CD C 49.376 0.3 1 751 66 66 PRO HA H 4.349 0.020 1 752 66 66 PRO HB2 H 1.109 0.020 2 753 66 66 PRO HB3 H 0.764 0.020 2 754 66 66 PRO HG2 H 1.643 0.020 2 755 66 66 PRO HG3 H 1.395 0.020 2 756 66 66 PRO HD2 H 2.893 0.020 2 757 66 66 PRO HD3 H 2.643 0.020 2 758 66 66 PRO C C 174.206 0.3 1 759 66 66 PRO CA C 61.339 0.3 1 760 66 66 PRO CB C 32.214 0.3 1 761 66 66 PRO CG C 25.296 0.3 1 762 66 66 PRO CD C 49.341 0.3 1 763 67 67 LYS H H 7.872 0.020 1 764 67 67 LYS HA H 4.394 0.020 1 765 67 67 LYS HB2 H 1.683 0.020 2 766 67 67 LYS HB3 H 1.569 0.020 2 767 67 67 LYS HG2 H 1.396 0.020 2 768 67 67 LYS HG3 H 1.248 0.020 2 769 67 67 LYS HD2 H 1.320 0.020 1 770 67 67 LYS HD3 H 1.320 0.020 1 771 67 67 LYS HE2 H 2.924 0.020 1 772 67 67 LYS HE3 H 2.924 0.020 1 773 67 67 LYS C C 175.400 0.3 1 774 67 67 LYS CA C 54.850 0.3 1 775 67 67 LYS CB C 35.545 0.3 1 776 67 67 LYS CG C 24.719 0.3 1 777 67 67 LYS CD C 28.774 0.3 1 778 67 67 LYS CE C 41.897 0.3 1 779 67 67 LYS N N 117.036 0.3 1 780 68 68 ILE H H 8.527 0.020 1 781 68 68 ILE HA H 4.732 0.020 1 782 68 68 ILE HB H 1.327 0.020 1 783 68 68 ILE HG12 H 1.175 0.020 2 784 68 68 ILE HG13 H 0.650 0.020 2 785 68 68 ILE HG2 H 0.565 0.020 1 786 68 68 ILE HD1 H 0.441 0.020 1 787 68 68 ILE C C 173.937 0.3 1 788 68 68 ILE CA C 60.231 0.3 1 789 68 68 ILE CB C 40.292 0.3 1 790 68 68 ILE CG1 C 27.869 0.3 1 791 68 68 ILE CG2 C 17.455 0.3 1 792 68 68 ILE CD1 C 13.900 0.3 1 793 68 68 ILE N N 124.752 0.3 1 794 69 69 THR H H 8.715 0.020 1 795 69 69 THR HA H 4.931 0.020 1 796 69 69 THR HB H 3.792 0.020 1 797 69 69 THR HG2 H 1.126 0.020 1 798 69 69 THR C C 174.382 0.3 1 799 69 69 THR CA C 60.393 0.3 1 800 69 69 THR CB C 72.131 0.3 1 801 69 69 THR CG2 C 21.875 0.3 1 802 69 69 THR N N 120.739 0.3 1 803 70 70 PHE H H 10.448 0.020 1 804 70 70 PHE HA H 4.549 0.020 1 805 70 70 PHE HB2 H 3.316 0.020 2 806 70 70 PHE HB3 H 3.110 0.020 2 807 70 70 PHE HD1 H 7.145 0.020 1 808 70 70 PHE HE1 H 6.675 0.020 1 809 70 70 PHE HE2 H 6.675 0.020 1 810 70 70 PHE HZ H 6.482 0.020 1 811 70 70 PHE C C 175.824 0.3 1 812 70 70 PHE CA C 59.031 0.3 1 813 70 70 PHE CB C 38.708 0.3 1 814 70 70 PHE CD1 C 130.426 0.3 1 815 70 70 PHE CE2 C 130.699 0.3 1 816 70 70 PHE CZ C 128.216 0.3 1 817 70 70 PHE N N 127.176 0.3 1 818 71 71 LYS H H 9.019 0.020 1 819 71 71 LYS HA H 4.375 0.020 1 820 71 71 LYS HB2 H 1.986 0.020 2 821 71 71 LYS HB3 H 1.413 0.020 2 822 71 71 LYS HG2 H 1.301 0.020 2 823 71 71 LYS HG3 H 1.416 0.020 2 824 71 71 LYS HD2 H 1.564 0.020 1 825 71 71 LYS HD3 H 1.564 0.020 1 826 71 71 LYS HE2 H 2.928 0.020 2 827 71 71 LYS HE3 H 2.784 0.020 2 828 71 71 LYS C C 176.524 0.3 1 829 71 71 LYS CA C 54.851 0.3 1 830 71 71 LYS CB C 31.199 0.3 1 831 71 71 LYS CG C 23.886 0.3 1 832 71 71 LYS CD C 27.155 0.3 1 833 71 71 LYS CE C 41.415 0.3 1 834 71 71 LYS N N 123.946 0.3 1 835 72 72 THR H H 7.470 0.020 1 836 72 72 THR HA H 4.574 0.020 1 837 72 72 THR HB H 4.102 0.020 1 838 72 72 THR HG2 H 2.057 0.020 1 839 72 72 THR C C 173.994 0.3 1 840 72 72 THR CA C 62.416 0.3 1 841 72 72 THR CB C 71.252 0.3 1 842 72 72 THR CG2 C 24.086 0.3 1 843 72 72 THR N N 118.974 0.3 1 844 73 73 LYS H H 9.026 0.020 1 845 73 73 LYS HA H 4.230 0.020 1 846 73 73 LYS HB2 H 2.033 0.020 2 847 73 73 LYS HB3 H 1.902 0.020 2 848 73 73 LYS HG2 H 1.539 0.020 1 849 73 73 LYS HG3 H 1.539 0.020 1 850 73 73 LYS HD2 H 1.436 0.020 2 851 73 73 LYS HD3 H 1.257 0.020 2 852 73 73 LYS HE2 H 2.830 0.020 1 853 73 73 LYS HE3 H 2.830 0.020 1 854 73 73 LYS C C 175.189 0.3 1 855 73 73 LYS CA C 57.893 0.3 1 856 73 73 LYS CB C 33.219 0.3 1 857 73 73 LYS CG C 24.853 0.3 1 858 73 73 LYS CD C 28.995 0.3 1 859 73 73 LYS CE C 42.053 0.3 1 860 73 73 LYS N N 127.043 0.3 1 861 74 74 ILE H H 8.016 0.020 1 862 74 74 ILE HA H 4.768 0.020 1 863 74 74 ILE HB H 1.515 0.020 1 864 74 74 ILE HG12 H 1.538 0.020 2 865 74 74 ILE HG13 H 0.475 0.020 2 866 74 74 ILE HG2 H 0.241 0.020 1 867 74 74 ILE HD1 H -0.741 0.020 1 868 74 74 ILE C C 171.191 0.3 1 869 74 74 ILE CA C 59.595 0.3 1 870 74 74 ILE CB C 41.202 0.3 1 871 74 74 ILE CG1 C 29.446 0.3 1 872 74 74 ILE CG2 C 14.985 0.3 1 873 74 74 ILE CD1 C 11.239 0.3 1 874 74 74 ILE N N 119.031 0.3 1 875 75 75 TYR H H 8.417 0.020 1 876 75 75 TYR HA H 3.996 0.020 1 877 75 75 TYR HB2 H 3.247 0.020 2 878 75 75 TYR HB3 H 1.997 0.020 2 879 75 75 TYR HD1 H 6.260 0.020 1 880 75 75 TYR HD2 H 6.260 0.020 1 881 75 75 TYR HE1 H 6.443 0.020 1 882 75 75 TYR HE2 H 6.443 0.020 1 883 75 75 TYR C C 172.801 0.3 1 884 75 75 TYR CA C 57.003 0.3 1 885 75 75 TYR CB C 37.873 0.3 1 886 75 75 TYR CD1 C 133.045 0.3 1 887 75 75 TYR CE1 C 118.499 0.3 1 888 75 75 TYR N N 132.114 0.3 1 889 76 76 HIS H H 8.742 0.020 1 890 76 76 HIS HA H 4.853 0.020 1 891 76 76 HIS HB2 H 2.614 0.020 2 892 76 76 HIS HB3 H 2.455 0.020 2 893 76 76 HIS HD1 H 9.352 0.020 1 894 76 76 HIS HD2 H 6.719 0.020 1 895 76 76 HIS HE1 H 8.310 0.020 1 896 76 76 HIS HE2 H 11.521 0.020 1 897 76 76 HIS C C 173.086 0.3 1 898 76 76 HIS CA C 55.205 0.3 1 899 76 76 HIS CB C 36.604 0.3 1 900 76 76 HIS CD2 C 117.647 0.3 1 901 76 76 HIS CE1 C 140.229 0.3 1 902 76 76 HIS N N 128.889 0.3 1 903 76 76 HIS NE2 N 126.991 0.3 1 904 77 77 PRO HA H 4.330 0.020 1 905 77 77 PRO HB2 H 1.863 0.020 2 906 77 77 PRO HB3 H 1.475 0.020 2 907 77 77 PRO HG2 H 1.211 0.020 2 908 77 77 PRO HG3 H 1.114 0.020 2 909 77 77 PRO HD2 H 3.389 0.020 2 910 77 77 PRO HD3 H 2.530 0.020 2 911 77 77 PRO CA C 64.505 0.3 1 912 77 77 PRO CB C 32.569 0.3 1 913 77 77 PRO CG C 26.565 0.3 1 914 77 77 PRO CD C 49.843 0.3 1 915 78 78 ASN H H 11.389 0.020 1 916 78 78 ASN HA H 4.694 0.020 1 917 78 78 ASN HB2 H 3.452 0.020 2 918 78 78 ASN HB3 H 2.369 0.020 2 919 78 78 ASN HD21 H 7.688 0.020 1 920 78 78 ASN HD22 H 7.013 0.020 1 921 78 78 ASN CA C 55.048 0.3 1 922 78 78 ASN CB C 41.031 0.3 1 923 78 78 ASN N N 118.908 0.3 1 924 78 78 ASN ND2 N 109.652 0.3 1 925 79 79 ILE H H 7.255 0.020 1 926 79 79 ILE HA H 4.986 0.020 1 927 79 79 ILE HB H 0.942 0.020 1 928 79 79 ILE HG12 H 0.693 0.020 2 929 79 79 ILE HG13 H 0.147 0.020 2 930 79 79 ILE HG2 H 0.414 0.020 1 931 79 79 ILE HD1 H -0.705 0.020 1 932 79 79 ILE C C 175.617 0.3 1 933 79 79 ILE CA C 59.840 0.3 1 934 79 79 ILE CB C 41.689 0.3 1 935 79 79 ILE CG1 C 27.899 0.3 1 936 79 79 ILE CG2 C 16.660 0.3 1 937 79 79 ILE CD1 C 13.604 0.3 1 938 79 79 ILE N N 120.498 0.3 1 939 80 80 ASP H H 8.658 0.020 1 940 80 80 ASP HA H 4.479 0.020 1 941 80 80 ASP HB2 H 3.354 0.020 2 942 80 80 ASP HB3 H 2.551 0.020 2 943 80 80 ASP C C 177.888 0.3 1 944 80 80 ASP CA C 52.767 0.3 1 945 80 80 ASP CB C 41.356 0.3 1 946 80 80 ASP N N 125.266 0.3 1 947 81 81 GLU H H 9.153 0.020 1 948 81 81 GLU HA H 4.172 0.020 1 949 81 81 GLU HB2 H 2.224 0.020 2 950 81 81 GLU HB3 H 1.974 0.020 2 951 81 81 GLU HG2 H 2.292 0.020 1 952 81 81 GLU HG3 H 2.292 0.020 1 953 81 81 GLU C C 177.153 0.3 1 954 81 81 GLU CA C 59.163 0.3 1 955 81 81 GLU CB C 29.737 0.3 1 956 81 81 GLU CG C 37.773 0.3 1 957 81 81 GLU N N 116.064 0.3 1 958 82 82 LYS H H 8.121 0.020 1 959 82 82 LYS HA H 4.466 0.020 1 960 82 82 LYS HB2 H 2.053 0.020 2 961 82 82 LYS HB3 H 1.935 0.020 2 962 82 82 LYS HG2 H 1.475 0.020 1 963 82 82 LYS HG3 H 1.475 0.020 1 964 82 82 LYS HD2 H 1.664 0.020 1 965 82 82 LYS HD3 H 1.664 0.020 1 966 82 82 LYS HE2 H 2.977 0.020 1 967 82 82 LYS HE3 H 2.977 0.020 1 968 82 82 LYS C C 176.733 0.3 1 969 82 82 LYS CA C 55.594 0.3 1 970 82 82 LYS CB C 32.156 0.3 1 971 82 82 LYS CG C 24.973 0.3 1 972 82 82 LYS CD C 28.880 0.3 1 973 82 82 LYS CE C 42.009 0.3 1 974 82 82 LYS N N 118.678 0.3 1 975 83 83 GLY H H 8.152 0.020 1 976 83 83 GLY HA2 H 3.611 0.020 2 977 83 83 GLY HA3 H 4.734 0.020 2 978 83 83 GLY C C 174.660 0.3 1 979 83 83 GLY CA C 46.230 0.3 1 980 83 83 GLY N N 109.635 0.3 1 981 84 84 GLN H H 8.669 0.020 1 982 84 84 GLN HA H 4.495 0.020 1 983 84 84 GLN HB2 H 2.089 0.020 2 984 84 84 GLN HB3 H 1.987 0.020 2 985 84 84 GLN HG2 H 2.478 0.020 2 986 84 84 GLN HG3 H 2.142 0.020 2 987 84 84 GLN HE21 H 8.056 0.020 1 988 84 84 GLN HE22 H 6.891 0.020 1 989 84 84 GLN C C 174.305 0.3 1 990 84 84 GLN CA C 55.743 0.3 1 991 84 84 GLN CB C 28.788 0.3 1 992 84 84 GLN CG C 35.120 0.3 1 993 84 84 GLN N N 120.605 0.3 1 994 84 84 GLN NE2 N 113.215 0.3 1 995 85 85 VAL H H 8.208 0.020 1 996 85 85 VAL HA H 4.685 0.020 1 997 85 85 VAL HB H 1.821 0.020 1 998 85 85 VAL HG1 H 0.804 0.020 1 999 85 85 VAL HG2 H 0.782 0.020 1 1000 85 85 VAL C C 174.281 0.3 1 1001 85 85 VAL CA C 59.410 0.3 1 1002 85 85 VAL CB C 35.410 0.3 1 1003 85 85 VAL CG1 C 19.967 0.3 1 1004 85 85 VAL CG2 C 22.341 0.3 1 1005 85 85 VAL N N 117.500 0.3 1 1006 86 86 CYS H H 8.234 0.020 1 1007 86 86 CYS HA H 4.554 0.020 1 1008 86 86 CYS HB2 H 2.872 0.020 2 1009 86 86 CYS HB3 H 2.679 0.020 2 1010 86 86 CYS C C 171.888 0.3 1 1011 86 86 CYS CA C 57.421 0.3 1 1012 86 86 CYS CB C 26.486 0.3 1 1013 86 86 CYS N N 127.713 0.3 1 1014 87 87 LEU H H 7.744 0.020 1 1015 87 87 LEU HA H 4.942 0.020 1 1016 87 87 LEU HB2 H 1.845 0.020 2 1017 87 87 LEU HB3 H 1.075 0.020 2 1018 87 87 LEU HG H 1.486 0.020 1 1019 87 87 LEU HD1 H 0.770 0.020 1 1020 87 87 LEU HD2 H 0.859 0.020 1 1021 87 87 LEU C C 174.981 0.3 1 1022 87 87 LEU CA C 51.028 0.3 1 1023 87 87 LEU CB C 44.351 0.3 1 1024 87 87 LEU CG C 27.069 0.3 1 1025 87 87 LEU CD1 C 26.067 0.3 1 1026 87 87 LEU CD2 C 25.027 0.3 1 1027 87 87 LEU N N 126.643 0.3 1 1028 88 88 PRO HA H 4.185 0.020 1 1029 88 88 PRO HB2 H 2.201 0.020 2 1030 88 88 PRO HB3 H 1.922 0.020 2 1031 88 88 PRO HG2 H 1.993 0.020 2 1032 88 88 PRO HG3 H 1.722 0.020 2 1033 88 88 PRO HD2 H 3.898 0.020 1 1034 88 88 PRO HD3 H 3.898 0.020 1 1035 88 88 PRO C C 178.991 0.3 1 1036 88 88 PRO CA C 66.617 0.3 1 1037 88 88 PRO CB C 31.444 0.3 1 1038 88 88 PRO CG C 26.903 0.3 1 1039 88 88 PRO CD C 50.899 0.3 1 1040 89 89 VAL H H 7.979 0.020 1 1041 89 89 VAL HA H 4.141 0.020 1 1042 89 89 VAL HB H 2.264 0.020 1 1043 89 89 VAL HG1 H 1.105 0.020 1 1044 89 89 VAL HG2 H 1.029 0.020 1 1045 89 89 VAL C C 174.992 0.3 1 1046 89 89 VAL CA C 64.499 0.3 1 1047 89 89 VAL CB C 31.287 0.3 1 1048 89 89 VAL CG1 C 22.268 0.3 1 1049 89 89 VAL CG2 C 20.919 0.3 1 1050 89 89 VAL N N 114.251 0.3 1 1051 90 90 ILE H H 7.409 0.020 1 1052 90 90 ILE HA H 5.063 0.020 1 1053 90 90 ILE HB H 2.356 0.020 1 1054 90 90 ILE HG12 H 1.447 0.020 2 1055 90 90 ILE HG13 H 1.049 0.020 2 1056 90 90 ILE HG2 H 0.958 0.020 1 1057 90 90 ILE HD1 H 0.781 0.020 1 1058 90 90 ILE C C 175.118 0.3 1 1059 90 90 ILE CA C 60.262 0.3 1 1060 90 90 ILE CB C 36.765 0.3 1 1061 90 90 ILE CG1 C 26.354 0.3 1 1062 90 90 ILE CG2 C 20.088 0.3 1 1063 90 90 ILE CD1 C 13.557 0.3 1 1064 90 90 ILE N N 107.413 0.3 1 1065 91 91 SER H H 7.796 0.020 1 1066 91 91 SER HA H 4.406 0.020 1 1067 91 91 SER HB2 H 4.144 0.020 2 1068 91 91 SER HB3 H 4.033 0.020 2 1069 91 91 SER C C 175.712 0.3 1 1070 91 91 SER CA C 58.342 0.3 1 1071 91 91 SER CB C 63.951 0.3 1 1072 91 91 SER N N 118.669 0.3 1 1073 92 92 ALA H H 9.065 0.020 1 1074 92 92 ALA HA H 3.941 0.020 1 1075 92 92 ALA HB H 1.486 0.020 1 1076 92 92 ALA C C 179.691 0.3 1 1077 92 92 ALA CA C 55.776 0.3 1 1078 92 92 ALA CB C 18.189 0.3 1 1079 92 92 ALA N N 126.634 0.3 1 1080 93 93 GLU H H 9.009 0.020 1 1081 93 93 GLU HA H 4.167 0.020 1 1082 93 93 GLU HB2 H 1.968 0.020 1 1083 93 93 GLU HB3 H 1.968 0.020 1 1084 93 93 GLU HG2 H 2.325 0.020 1 1085 93 93 GLU HG3 H 2.325 0.020 1 1086 93 93 GLU C C 176.812 0.3 1 1087 93 93 GLU CA C 58.702 0.3 1 1088 93 93 GLU CB C 28.913 0.3 1 1089 93 93 GLU CG C 36.200 0.3 1 1090 93 93 GLU N N 114.562 0.3 1 1091 94 94 ASN H H 7.484 0.020 1 1092 94 94 ASN HA H 4.887 0.020 1 1093 94 94 ASN HB2 H 2.899 0.020 2 1094 94 94 ASN HB3 H 2.793 0.020 2 1095 94 94 ASN HD21 H 7.322 0.020 1 1096 94 94 ASN HD22 H 6.972 0.020 1 1097 94 94 ASN C C 175.816 0.3 1 1098 94 94 ASN CA C 52.776 0.3 1 1099 94 94 ASN CB C 40.194 0.3 1 1100 94 94 ASN N N 115.129 0.3 1 1101 94 94 ASN ND2 N 113.267 0.3 1 1102 95 95 TRP H H 7.929 0.020 1 1103 95 95 TRP HA H 4.605 0.020 1 1104 95 95 TRP HB2 H 3.161 0.020 2 1105 95 95 TRP HB3 H 3.008 0.020 2 1106 95 95 TRP HD1 H 6.840 0.020 1 1107 95 95 TRP HE1 H 9.898 0.020 1 1108 95 95 TRP HZ2 H 7.303 0.020 1 1109 95 95 TRP C C 175.192 0.3 1 1110 95 95 TRP CA C 58.592 0.3 1 1111 95 95 TRP CB C 29.775 0.3 1 1112 95 95 TRP CD1 C 125.240 0.3 1 1113 95 95 TRP CZ2 C 115.602 0.3 1 1114 95 95 TRP N N 121.883 0.3 1 1115 95 95 TRP NE1 N 129.359 0.3 1 1116 96 96 LYS H H 6.677 0.020 1 1117 96 96 LYS HA H 4.489 0.020 1 1118 96 96 LYS HB2 H 1.621 0.020 2 1119 96 96 LYS HB3 H 1.257 0.020 2 1120 96 96 LYS HG2 H 1.362 0.020 2 1121 96 96 LYS HG3 H 1.291 0.020 2 1122 96 96 LYS HD2 H 1.597 0.020 2 1123 96 96 LYS HD3 H 1.514 0.020 2 1124 96 96 LYS HE2 H 2.918 0.020 1 1125 96 96 LYS HE3 H 2.918 0.020 1 1126 96 96 LYS C C 173.506 0.3 1 1127 96 96 LYS CA C 51.517 0.3 1 1128 96 96 LYS CB C 33.586 0.3 1 1129 96 96 LYS CG C 23.848 0.3 1 1130 96 96 LYS CD C 28.809 0.3 1 1131 96 96 LYS CE C 42.139 0.3 1 1132 96 96 LYS N N 126.585 0.3 1 1133 97 97 PRO HA H 4.162 0.020 1 1134 97 97 PRO HB2 H 1.724 0.020 2 1135 97 97 PRO HB3 H 1.592 0.020 2 1136 97 97 PRO HG2 H 2.017 0.020 1 1137 97 97 PRO HG3 H 2.017 0.020 1 1138 97 97 PRO HD2 H 3.595 0.020 1 1139 97 97 PRO HD3 H 3.595 0.020 1 1140 97 97 PRO C C 175.475 0.3 1 1141 97 97 PRO CA C 64.083 0.3 1 1142 97 97 PRO CB C 32.057 0.3 1 1143 97 97 PRO CG C 27.262 0.3 1 1144 97 97 PRO CD C 50.982 0.3 1 1145 98 98 ALA H H 7.141 0.020 1 1146 98 98 ALA HA H 3.989 0.020 1 1147 98 98 ALA HB H 1.205 0.020 1 1148 98 98 ALA C C 177.866 0.3 1 1149 98 98 ALA CA C 52.582 0.3 1 1150 98 98 ALA CB C 18.790 0.3 1 1151 98 98 ALA N N 115.947 0.3 1 1152 99 99 THR H H 7.480 0.020 1 1153 99 99 THR HA H 3.617 0.020 1 1154 99 99 THR HB H 3.447 0.020 1 1155 99 99 THR HG2 H 1.108 0.020 1 1156 99 99 THR C C 172.443 0.3 1 1157 99 99 THR CA C 64.236 0.3 1 1158 99 99 THR CB C 68.402 0.3 1 1159 99 99 THR CG2 C 21.911 0.3 1 1160 99 99 THR N N 118.024 0.3 1 1161 100 100 LYS H H 8.179 0.020 1 1162 100 100 LYS HA H 4.681 0.020 1 1163 100 100 LYS HB2 H 2.261 0.020 2 1164 100 100 LYS HB3 H 1.871 0.020 2 1165 100 100 LYS HG2 H 1.709 0.020 1 1166 100 100 LYS HG3 H 1.709 0.020 1 1167 100 100 LYS HD2 H 1.786 0.020 1 1168 100 100 LYS HD3 H 1.786 0.020 1 1169 100 100 LYS HE2 H 3.049 0.020 1 1170 100 100 LYS HE3 H 3.049 0.020 1 1171 100 100 LYS C C 178.360 0.3 1 1172 100 100 LYS CA C 55.176 0.3 1 1173 100 100 LYS CB C 34.268 0.3 1 1174 100 100 LYS CG C 24.563 0.3 1 1175 100 100 LYS CD C 28.962 0.3 1 1176 100 100 LYS CE C 41.754 0.3 1 1177 100 100 LYS N N 125.307 0.3 1 1178 101 101 THR H H 9.558 0.020 1 1179 101 101 THR HA H 4.150 0.020 1 1180 101 101 THR HB H 3.750 0.020 1 1181 101 101 THR HG2 H 1.012 0.020 1 1182 101 101 THR C C 176.581 0.3 1 1183 101 101 THR CA C 67.704 0.3 1 1184 101 101 THR CB C 68.102 0.3 1 1185 101 101 THR CG2 C 21.951 0.3 1 1186 101 101 THR N N 119.961 0.3 1 1187 102 102 ASP H H 9.387 0.020 1 1188 102 102 ASP HA H 4.036 0.020 1 1189 102 102 ASP HB2 H 2.754 0.020 2 1190 102 102 ASP HB3 H 2.683 0.020 2 1191 102 102 ASP C C 177.687 0.3 1 1192 102 102 ASP CA C 57.964 0.3 1 1193 102 102 ASP CB C 38.993 0.3 1 1194 102 102 ASP N N 121.062 0.3 1 1195 103 103 GLN H H 7.462 0.020 1 1196 103 103 GLN HA H 4.054 0.020 1 1197 103 103 GLN HB2 H 2.411 0.020 2 1198 103 103 GLN HB3 H 2.155 0.020 2 1199 103 103 GLN HG2 H 2.452 0.020 2 1200 103 103 GLN HG3 H 2.385 0.020 2 1201 103 103 GLN HE21 H 7.681 0.020 1 1202 103 103 GLN HE22 H 6.854 0.020 1 1203 103 103 GLN C C 179.414 0.3 1 1204 103 103 GLN CA C 58.262 0.3 1 1205 103 103 GLN CB C 28.288 0.3 1 1206 103 103 GLN CG C 34.098 0.3 1 1207 103 103 GLN N N 121.191 0.3 1 1208 103 103 GLN NE2 N 112.425 0.3 1 1209 104 104 VAL H H 7.730 0.020 1 1210 104 104 VAL HA H 3.348 0.020 1 1211 104 104 VAL HB H 2.443 0.020 1 1212 104 104 VAL HG1 H 0.660 0.020 1 1213 104 104 VAL HG2 H 1.114 0.020 1 1214 104 104 VAL C C 177.371 0.3 1 1215 104 104 VAL CA C 67.208 0.3 1 1216 104 104 VAL CB C 31.190 0.3 1 1217 104 104 VAL CG1 C 21.857 0.3 1 1218 104 104 VAL CG2 C 22.864 0.3 1 1219 104 104 VAL N N 122.119 0.3 1 1220 105 105 ILE H H 8.462 0.020 1 1221 105 105 ILE HA H 3.339 0.020 1 1222 105 105 ILE HB H 1.791 0.020 1 1223 105 105 ILE HG12 H 1.042 0.020 2 1224 105 105 ILE HG13 H 0.938 0.020 2 1225 105 105 ILE HG2 H 0.333 0.020 1 1226 105 105 ILE HD1 H 0.147 0.020 1 1227 105 105 ILE C C 177.936 0.3 1 1228 105 105 ILE CA C 63.236 0.3 1 1229 105 105 ILE CB C 35.848 0.3 1 1230 105 105 ILE CG1 C 27.528 0.3 1 1231 105 105 ILE CG2 C 17.177 0.3 1 1232 105 105 ILE CD1 C 10.365 0.3 1 1233 105 105 ILE N N 118.810 0.3 1 1234 106 106 GLN H H 8.374 0.020 1 1235 106 106 GLN HA H 3.990 0.020 1 1236 106 106 GLN HB2 H 2.160 0.020 1 1237 106 106 GLN HB3 H 2.160 0.020 1 1238 106 106 GLN HG2 H 2.558 0.020 2 1239 106 106 GLN HG3 H 2.469 0.020 2 1240 106 106 GLN HE21 H 7.377 0.020 1 1241 106 106 GLN HE22 H 6.996 0.020 1 1242 106 106 GLN C C 179.477 0.3 1 1243 106 106 GLN CA C 59.607 0.3 1 1244 106 106 GLN CB C 28.062 0.3 1 1245 106 106 GLN CG C 33.981 0.3 1 1246 106 106 GLN N N 118.907 0.3 1 1247 106 106 GLN NE2 N 112.155 0.3 1 1248 107 107 SER H H 8.061 0.020 1 1249 107 107 SER HA H 4.271 0.020 1 1250 107 107 SER HB2 H 4.105 0.020 2 1251 107 107 SER HB3 H 3.968 0.020 2 1252 107 107 SER C C 176.456 0.3 1 1253 107 107 SER CA C 62.199 0.3 1 1254 107 107 SER CB C 63.015 0.3 1 1255 107 107 SER N N 116.416 0.3 1 1256 108 108 LEU H H 8.273 0.020 1 1257 108 108 LEU HA H 4.062 0.020 1 1258 108 108 LEU HB2 H 2.122 0.020 2 1259 108 108 LEU HB3 H 1.318 0.020 2 1260 108 108 LEU HG H 1.473 0.020 1 1261 108 108 LEU HD1 H 0.742 0.020 1 1262 108 108 LEU HD2 H 0.953 0.020 1 1263 108 108 LEU C C 177.712 0.3 1 1264 108 108 LEU CA C 57.586 0.3 1 1265 108 108 LEU CB C 41.186 0.3 1 1266 108 108 LEU CG C 26.891 0.3 1 1267 108 108 LEU CD1 C 26.814 0.3 1 1268 108 108 LEU CD2 C 23.482 0.3 1 1269 108 108 LEU N N 124.684 0.3 1 1270 109 109 ILE H H 8.595 0.020 1 1271 109 109 ILE HA H 3.365 0.020 1 1272 109 109 ILE HB H 1.900 0.020 1 1273 109 109 ILE HG12 H 1.662 0.020 2 1274 109 109 ILE HG13 H 0.993 0.020 2 1275 109 109 ILE HG2 H 0.927 0.020 1 1276 109 109 ILE HD1 H 0.758 0.020 1 1277 109 109 ILE C C 177.582 0.3 1 1278 109 109 ILE CA C 65.317 0.3 1 1279 109 109 ILE CB C 37.529 0.3 1 1280 109 109 ILE CG1 C 29.807 0.3 1 1281 109 109 ILE CG2 C 17.621 0.3 1 1282 109 109 ILE CD1 C 14.232 0.3 1 1283 109 109 ILE N N 120.161 0.3 1 1284 110 110 ALA H H 7.870 0.020 1 1285 110 110 ALA HA H 4.219 0.020 1 1286 110 110 ALA HB H 1.560 0.020 1 1287 110 110 ALA C C 179.484 0.3 1 1288 110 110 ALA CA C 55.067 0.3 1 1289 110 110 ALA CB C 17.783 0.3 1 1290 110 110 ALA N N 120.789 0.3 1 1291 111 111 LEU H H 7.545 0.020 1 1292 111 111 LEU HA H 4.158 0.020 1 1293 111 111 LEU HB2 H 2.059 0.020 2 1294 111 111 LEU HB3 H 1.537 0.020 2 1295 111 111 LEU HG H 1.382 0.020 1 1296 111 111 LEU HD1 H 0.667 0.020 1 1297 111 111 LEU HD2 H 0.971 0.020 1 1298 111 111 LEU C C 178.772 0.3 1 1299 111 111 LEU CA C 56.773 0.3 1 1300 111 111 LEU CB C 42.444 0.3 1 1301 111 111 LEU CG C 26.594 0.3 1 1302 111 111 LEU CD1 C 26.588 0.3 1 1303 111 111 LEU CD2 C 24.007 0.3 1 1304 111 111 LEU N N 120.269 0.3 1 1305 112 112 VAL H H 8.008 0.020 1 1306 112 112 VAL HA H 3.009 0.020 1 1307 112 112 VAL HB H 2.067 0.020 1 1308 112 112 VAL HG1 H 0.599 0.020 1 1309 112 112 VAL HG2 H 0.412 0.020 1 1310 112 112 VAL C C 175.153 0.3 1 1311 112 112 VAL CA C 67.167 0.3 1 1312 112 112 VAL CB C 30.906 0.3 1 1313 112 112 VAL CG1 C 22.790 0.3 1 1314 112 112 VAL CG2 C 21.147 0.3 1 1315 112 112 VAL N N 119.439 0.3 1 1316 113 113 ASN H H 7.874 0.020 1 1317 113 113 ASN HA H 4.649 0.020 1 1318 113 113 ASN HB2 H 2.903 0.020 1 1319 113 113 ASN HB3 H 2.903 0.020 1 1320 113 113 ASN HD21 H 7.559 0.020 1 1321 113 113 ASN HD22 H 7.261 0.020 1 1322 113 113 ASN C C 176.347 0.3 1 1323 113 113 ASN CA C 55.257 0.3 1 1324 113 113 ASN CB C 39.426 0.3 1 1325 113 113 ASN N N 111.467 0.3 1 1326 113 113 ASN ND2 N 112.496 0.3 1 1327 114 114 ASP H H 7.985 0.020 1 1328 114 114 ASP HA H 5.222 0.020 1 1329 114 114 ASP HB2 H 2.659 0.020 2 1330 114 114 ASP HB3 H 2.535 0.020 2 1331 114 114 ASP C C 170.552 0.3 1 1332 114 114 ASP CA C 51.803 0.3 1 1333 114 114 ASP CB C 42.334 0.3 1 1334 114 114 ASP N N 118.422 0.3 1 1335 115 115 PRO HA H 4.189 0.020 1 1336 115 115 PRO HB2 H 1.023 0.020 2 1337 115 115 PRO HB3 H 0.313 0.020 2 1338 115 115 PRO HG2 H 1.250 0.020 1 1339 115 115 PRO HG3 H 1.250 0.020 1 1340 115 115 PRO HD2 H 3.749 0.020 2 1341 115 115 PRO HD3 H 3.678 0.020 2 1342 115 115 PRO C C 173.895 0.3 1 1343 115 115 PRO CA C 62.517 0.3 1 1344 115 115 PRO CB C 31.735 0.3 1 1345 115 115 PRO CG C 25.963 0.3 1 1346 115 115 PRO CD C 49.495 0.3 1 1347 116 116 GLN H H 8.472 0.020 1 1348 116 116 GLN HA H 4.840 0.020 1 1349 116 116 GLN HB2 H 1.993 0.020 2 1350 116 116 GLN HB3 H 1.765 0.020 2 1351 116 116 GLN HG2 H 2.497 0.020 2 1352 116 116 GLN HG3 H 2.444 0.020 2 1353 116 116 GLN HE21 H 7.810 0.020 1 1354 116 116 GLN HE22 H 6.706 0.020 1 1355 116 116 GLN C C 175.529 0.3 1 1356 116 116 GLN CA C 51.879 0.3 1 1357 116 116 GLN CB C 29.797 0.3 1 1358 116 116 GLN CG C 32.973 0.3 1 1359 116 116 GLN N N 118.698 0.3 1 1360 116 116 GLN NE2 N 113.018 0.3 1 1361 117 117 PRO HA H 3.752 0.020 1 1362 117 117 PRO HB2 H 2.108 0.020 2 1363 117 117 PRO HB3 H 1.833 0.020 2 1364 117 117 PRO HG2 H 1.916 0.020 1 1365 117 117 PRO HG3 H 1.916 0.020 1 1366 117 117 PRO HD2 H 3.993 0.020 2 1367 117 117 PRO HD3 H 3.188 0.020 2 1368 117 117 PRO C C 175.087 0.3 1 1369 117 117 PRO CA C 64.350 0.3 1 1370 117 117 PRO CB C 32.289 0.3 1 1371 117 117 PRO CG C 27.159 0.3 1 1372 117 117 PRO CD C 51.201 0.3 1 1373 118 118 GLU H H 8.962 0.020 1 1374 118 118 GLU HA H 3.981 0.020 1 1375 118 118 GLU HB2 H 1.779 0.020 1 1376 118 118 GLU HB3 H 1.779 0.020 1 1377 118 118 GLU HG2 H 2.148 0.020 2 1378 118 118 GLU HG3 H 2.004 0.020 2 1379 118 118 GLU C C 176.315 0.3 1 1380 118 118 GLU CA C 58.109 0.3 1 1381 118 118 GLU CB C 28.792 0.3 1 1382 118 118 GLU CG C 36.290 0.3 1 1383 118 118 GLU N N 118.178 0.3 1 1384 119 119 HIS H H 7.213 0.020 1 1385 119 119 HIS HA H 4.988 0.020 1 1386 119 119 HIS HB2 H 3.138 0.020 2 1387 119 119 HIS HB3 H 3.023 0.020 2 1388 119 119 HIS HD2 H 7.120 0.020 1 1389 119 119 HIS HE1 H 8.231 0.020 1 1390 119 119 HIS C C 171.814 0.3 1 1391 119 119 HIS CA C 52.796 0.3 1 1392 119 119 HIS CB C 28.944 0.3 1 1393 119 119 HIS CD2 C 120.669 0.3 1 1394 119 119 HIS CE1 C 136.857 0.3 1 1395 119 119 HIS N N 115.111 0.3 1 1396 120 120 PRO HA H 4.271 0.020 1 1397 120 120 PRO HB2 H 1.671 0.020 2 1398 120 120 PRO HB3 H 1.582 0.020 2 1399 120 120 PRO HG2 H 1.882 0.020 1 1400 120 120 PRO HG3 H 1.882 0.020 1 1401 120 120 PRO HD2 H 3.552 0.020 2 1402 120 120 PRO HD3 H 3.450 0.020 2 1403 120 120 PRO C C 176.811 0.3 1 1404 120 120 PRO CA C 62.946 0.3 1 1405 120 120 PRO CB C 33.241 0.3 1 1406 120 120 PRO CG C 25.643 0.3 1 1407 120 120 PRO CD C 48.711 0.3 1 1408 121 121 LEU H H 8.345 0.020 1 1409 121 121 LEU HA H 4.665 0.020 1 1410 121 121 LEU HB2 H 1.526 0.020 2 1411 121 121 LEU HB3 H 1.230 0.020 2 1412 121 121 LEU HG H 1.602 0.020 1 1413 121 121 LEU HD1 H 0.774 0.020 1 1414 121 121 LEU HD2 H 0.875 0.020 1 1415 121 121 LEU C C 177.077 0.3 1 1416 121 121 LEU CA C 55.588 0.3 1 1417 121 121 LEU CB C 43.818 0.3 1 1418 121 121 LEU CG C 27.222 0.3 1 1419 121 121 LEU CD1 C 25.647 0.3 1 1420 121 121 LEU CD2 C 22.296 0.3 1 1421 121 121 LEU N N 116.471 0.3 1 1422 122 122 ARG H H 7.725 0.020 1 1423 122 122 ARG HA H 4.782 0.020 1 1424 122 122 ARG HB2 H 2.105 0.020 2 1425 122 122 ARG HB3 H 1.669 0.020 2 1426 122 122 ARG HG2 H 1.768 0.020 2 1427 122 122 ARG HG3 H 1.555 0.020 2 1428 122 122 ARG HD2 H 3.313 0.020 2 1429 122 122 ARG HD3 H 3.150 0.020 2 1430 122 122 ARG C C 175.682 0.3 1 1431 122 122 ARG CA C 54.704 0.3 1 1432 122 122 ARG CB C 31.669 0.3 1 1433 122 122 ARG CG C 25.714 0.3 1 1434 122 122 ARG CD C 44.904 0.3 1 1435 122 122 ARG N N 118.887 0.3 1 1436 123 123 ALA H H 9.205 0.020 1 1437 123 123 ALA HA H 3.822 0.020 1 1438 123 123 ALA HB H 1.475 0.020 1 1439 123 123 ALA C C 179.268 0.3 1 1440 123 123 ALA CA C 55.640 0.3 1 1441 123 123 ALA CB C 18.130 0.3 1 1442 123 123 ALA N N 128.602 0.3 1 1443 124 124 ASP H H 9.282 0.020 1 1444 124 124 ASP HA H 4.340 0.020 1 1445 124 124 ASP HB2 H 2.620 0.020 2 1446 124 124 ASP HB3 H 2.846 0.020 2 1447 124 124 ASP C C 179.413 0.3 1 1448 124 124 ASP CA C 55.923 0.3 1 1449 124 124 ASP CB C 37.348 0.3 1 1450 124 124 ASP N N 117.468 0.3 1 1451 125 125 LEU H H 7.526 0.020 1 1452 125 125 LEU HA H 4.004 0.020 1 1453 125 125 LEU HB2 H 1.428 0.020 2 1454 125 125 LEU HB3 H 1.248 0.020 2 1455 125 125 LEU HG H 1.293 0.020 1 1456 125 125 LEU HD1 H -0.076 0.020 1 1457 125 125 LEU HD2 H 0.262 0.020 1 1458 125 125 LEU C C 178.846 0.3 1 1459 125 125 LEU CA C 58.175 0.3 1 1460 125 125 LEU CB C 42.326 0.3 1 1461 125 125 LEU CG C 30.053 0.3 1 1462 125 125 LEU CD1 C 24.468 0.3 1 1463 125 125 LEU CD2 C 23.128 0.3 1 1464 125 125 LEU N N 123.536 0.3 1 1465 126 126 ALA H H 7.999 0.020 1 1466 126 126 ALA HA H 3.686 0.020 1 1467 126 126 ALA HB H 1.550 0.020 1 1468 126 126 ALA C C 178.535 0.3 1 1469 126 126 ALA CA C 55.520 0.3 1 1470 126 126 ALA CB C 18.507 0.3 1 1471 126 126 ALA N N 121.638 0.3 1 1472 127 127 GLU H H 7.876 0.020 1 1473 127 127 GLU HA H 4.066 0.020 1 1474 127 127 GLU HB2 H 2.108 0.020 1 1475 127 127 GLU HB3 H 2.108 0.020 1 1476 127 127 GLU HG2 H 2.324 0.020 2 1477 127 127 GLU HG3 H 2.258 0.020 2 1478 127 127 GLU C C 177.791 0.3 1 1479 127 127 GLU CA C 59.310 0.3 1 1480 127 127 GLU CB C 29.255 0.3 1 1481 127 127 GLU CG C 36.076 0.3 1 1482 127 127 GLU N N 119.279 0.3 1 1483 128 128 GLU H H 7.786 0.020 1 1484 128 128 GLU HA H 4.031 0.020 1 1485 128 128 GLU HB2 H 2.562 0.020 2 1486 128 128 GLU HB3 H 2.283 0.020 2 1487 128 128 GLU HG2 H 2.210 0.020 1 1488 128 128 GLU HG3 H 2.210 0.020 1 1489 128 128 GLU C C 177.142 0.3 1 1490 128 128 GLU CA C 59.942 0.3 1 1491 128 128 GLU CB C 31.982 0.3 1 1492 128 128 GLU CG C 37.423 0.3 1 1493 128 128 GLU N N 121.289 0.3 1 1494 129 129 TYR H H 8.516 0.020 1 1495 129 129 TYR HA H 3.346 0.020 1 1496 129 129 TYR HB2 H 2.660 0.020 2 1497 129 129 TYR HB3 H 2.097 0.020 2 1498 129 129 TYR HD1 H 5.968 0.020 1 1499 129 129 TYR HD2 H 5.968 0.020 1 1500 129 129 TYR HE1 H 6.528 0.020 1 1501 129 129 TYR HE2 H 6.528 0.020 1 1502 129 129 TYR C C 176.518 0.3 1 1503 129 129 TYR CA C 62.426 0.3 1 1504 129 129 TYR CB C 38.511 0.3 1 1505 129 129 TYR CD1 C 131.839 0.3 1 1506 129 129 TYR CE1 C 117.704 0.3 1 1507 129 129 TYR N N 116.979 0.3 1 1508 130 130 SER H H 7.830 0.020 1 1509 130 130 SER HA H 4.097 0.020 1 1510 130 130 SER HB2 H 3.937 0.020 2 1511 130 130 SER HB3 H 3.857 0.020 2 1512 130 130 SER C C 176.391 0.3 1 1513 130 130 SER CA C 61.038 0.3 1 1514 130 130 SER CB C 63.734 0.3 1 1515 130 130 SER N N 110.723 0.3 1 1516 131 131 LYS H H 8.536 0.020 1 1517 131 131 LYS HA H 4.306 0.020 1 1518 131 131 LYS HB2 H 1.822 0.020 2 1519 131 131 LYS HB3 H 1.538 0.020 2 1520 131 131 LYS HG2 H 1.420 0.020 1 1521 131 131 LYS HG3 H 1.420 0.020 1 1522 131 131 LYS HD2 H 1.638 0.020 1 1523 131 131 LYS HD3 H 1.638 0.020 1 1524 131 131 LYS HE2 H 2.973 0.020 1 1525 131 131 LYS HE3 H 2.973 0.020 1 1526 131 131 LYS C C 176.951 0.3 1 1527 131 131 LYS CA C 57.479 0.3 1 1528 131 131 LYS CB C 33.436 0.3 1 1529 131 131 LYS CG C 25.328 0.3 1 1530 131 131 LYS CD C 28.800 0.3 1 1531 131 131 LYS CE C 41.869 0.3 1 1532 131 131 LYS N N 119.518 0.3 1 1533 132 132 ASP H H 8.579 0.020 1 1534 132 132 ASP HA H 4.782 0.020 1 1535 132 132 ASP HB2 H 3.044 0.020 2 1536 132 132 ASP HB3 H 2.357 0.020 2 1537 132 132 ASP C C 174.210 0.3 1 1538 132 132 ASP CA C 52.473 0.3 1 1539 132 132 ASP CB C 40.412 0.3 1 1540 132 132 ASP N N 122.345 0.3 1 1541 133 133 ARG H H 8.465 0.020 1 1542 133 133 ARG HA H 3.879 0.020 1 1543 133 133 ARG HB2 H 1.851 0.020 2 1544 133 133 ARG HB3 H 1.686 0.020 2 1545 133 133 ARG HG2 H 1.347 0.020 1 1546 133 133 ARG HG3 H 1.347 0.020 1 1547 133 133 ARG HD2 H 2.777 0.020 1 1548 133 133 ARG HD3 H 2.777 0.020 1 1549 133 133 ARG C C 178.638 0.3 1 1550 133 133 ARG CA C 58.791 0.3 1 1551 133 133 ARG CB C 29.316 0.3 1 1552 133 133 ARG CG C 26.175 0.3 1 1553 133 133 ARG CD C 41.315 0.3 1 1554 133 133 ARG N N 124.735 0.3 1 1555 134 134 LYS H H 8.432 0.020 1 1556 134 134 LYS HA H 4.028 0.020 1 1557 134 134 LYS HB2 H 1.923 0.020 2 1558 134 134 LYS HB3 H 1.805 0.020 2 1559 134 134 LYS HG2 H 1.575 0.020 1 1560 134 134 LYS HG3 H 1.575 0.020 1 1561 134 134 LYS HD2 H 1.723 0.020 1 1562 134 134 LYS HD3 H 1.723 0.020 1 1563 134 134 LYS HE2 H 3.009 0.020 1 1564 134 134 LYS HE3 H 3.009 0.020 1 1565 134 134 LYS C C 179.447 0.3 1 1566 134 134 LYS CA C 59.763 0.3 1 1567 134 134 LYS CB C 31.690 0.3 1 1568 134 134 LYS CG C 25.078 0.3 1 1569 134 134 LYS CD C 29.082 0.3 1 1570 134 134 LYS CE C 41.861 0.3 1 1571 134 134 LYS N N 117.281 0.3 1 1572 135 135 LYS H H 7.520 0.020 1 1573 135 135 LYS HA H 3.950 0.020 1 1574 135 135 LYS HB2 H 1.824 0.020 1 1575 135 135 LYS HB3 H 1.824 0.020 1 1576 135 135 LYS HG2 H 1.394 0.020 1 1577 135 135 LYS HG3 H 1.394 0.020 1 1578 135 135 LYS HD2 H 1.640 0.020 1 1579 135 135 LYS HD3 H 1.640 0.020 1 1580 135 135 LYS HE2 H 3.045 0.020 1 1581 135 135 LYS HE3 H 3.045 0.020 1 1582 135 135 LYS C C 178.058 0.3 1 1583 135 135 LYS CA C 59.300 0.3 1 1584 135 135 LYS CB C 32.586 0.3 1 1585 135 135 LYS CG C 25.066 0.3 1 1586 135 135 LYS CD C 29.090 0.3 1 1587 135 135 LYS CE C 41.899 0.3 1 1588 135 135 LYS N N 123.752 0.3 1 1589 136 136 PHE H H 8.563 0.020 1 1590 136 136 PHE HA H 4.524 0.020 1 1591 136 136 PHE HB2 H 3.479 0.020 2 1592 136 136 PHE HB3 H 3.059 0.020 2 1593 136 136 PHE HD1 H 7.672 0.020 1 1594 136 136 PHE C C 177.428 0.3 1 1595 136 136 PHE CA C 61.777 0.3 1 1596 136 136 PHE CB C 39.304 0.3 1 1597 136 136 PHE CD1 C 133.216 0.3 1 1598 136 136 PHE N N 118.953 0.3 1 1599 137 137 CYS H H 8.932 0.020 1 1600 137 137 CYS HA H 3.839 0.020 1 1601 137 137 CYS HB2 H 3.111 0.020 2 1602 137 137 CYS HB3 H 3.046 0.020 2 1603 137 137 CYS C C 176.338 0.3 1 1604 137 137 CYS CA C 64.650 0.3 1 1605 137 137 CYS CB C 26.555 0.3 1 1606 137 137 CYS N N 116.079 0.3 1 1607 138 138 LYS H H 7.796 0.020 1 1608 138 138 LYS HA H 4.031 0.020 1 1609 138 138 LYS HB2 H 1.879 0.020 1 1610 138 138 LYS HB3 H 1.879 0.020 1 1611 138 138 LYS HG2 H 1.498 0.020 1 1612 138 138 LYS HG3 H 1.498 0.020 1 1613 138 138 LYS HD2 H 1.662 0.020 1 1614 138 138 LYS HD3 H 1.662 0.020 1 1615 138 138 LYS HE2 H 2.941 0.020 1 1616 138 138 LYS HE3 H 2.941 0.020 1 1617 138 138 LYS C C 178.930 0.3 1 1618 138 138 LYS CA C 59.440 0.3 1 1619 138 138 LYS CB C 31.685 0.3 1 1620 138 138 LYS CG C 24.574 0.3 1 1621 138 138 LYS CD C 28.705 0.3 1 1622 138 138 LYS CE C 41.946 0.3 1 1623 138 138 LYS N N 121.610 0.3 1 1624 139 139 ASN H H 8.157 0.020 1 1625 139 139 ASN HA H 4.216 0.020 1 1626 139 139 ASN HB2 H 2.520 0.020 2 1627 139 139 ASN HB3 H 1.838 0.020 2 1628 139 139 ASN HD21 H 6.584 0.020 1 1629 139 139 ASN HD22 H 7.683 0.020 1 1630 139 139 ASN C C 178.294 0.3 1 1631 139 139 ASN CA C 55.429 0.3 1 1632 139 139 ASN CB C 37.735 0.3 1 1633 139 139 ASN N N 118.779 0.3 1 1634 139 139 ASN ND2 N 113.063 0.3 1 1635 140 140 ALA H H 8.970 0.020 1 1636 140 140 ALA HA H 3.718 0.020 1 1637 140 140 ALA HB H 1.096 0.020 1 1638 140 140 ALA C C 180.891 0.3 1 1639 140 140 ALA CA C 55.247 0.3 1 1640 140 140 ALA CB C 18.546 0.3 1 1641 140 140 ALA N N 124.199 0.3 1 1642 141 141 GLU H H 8.867 0.020 1 1643 141 141 GLU HA H 4.211 0.020 1 1644 141 141 GLU HB2 H 2.262 0.020 2 1645 141 141 GLU HB3 H 2.131 0.020 2 1646 141 141 GLU HG2 H 2.485 0.020 1 1647 141 141 GLU HG3 H 2.485 0.020 1 1648 141 141 GLU C C 179.345 0.3 1 1649 141 141 GLU CA C 60.360 0.3 1 1650 141 141 GLU CB C 29.291 0.3 1 1651 141 141 GLU CG C 37.041 0.3 1 1652 141 141 GLU N N 123.388 0.3 1 1653 142 142 GLU H H 7.983 0.020 1 1654 142 142 GLU HA H 4.026 0.020 1 1655 142 142 GLU HB2 H 2.084 0.020 1 1656 142 142 GLU HB3 H 2.084 0.020 1 1657 142 142 GLU HG2 H 2.341 0.020 1 1658 142 142 GLU HG3 H 2.341 0.020 1 1659 142 142 GLU C C 178.881 0.3 1 1660 142 142 GLU CA C 59.447 0.3 1 1661 142 142 GLU CB C 29.026 0.3 1 1662 142 142 GLU CG C 36.009 0.3 1 1663 142 142 GLU N N 120.214 0.3 1 1664 143 143 PHE H H 8.345 0.020 1 1665 143 143 PHE HA H 4.220 0.020 1 1666 143 143 PHE HB2 H 3.409 0.020 2 1667 143 143 PHE HB3 H 3.159 0.020 2 1668 143 143 PHE HD1 H 7.539 0.020 1 1669 143 143 PHE HE1 H 7.240 0.020 1 1670 143 143 PHE HE2 H 7.240 0.020 1 1671 143 143 PHE C C 179.652 0.3 1 1672 143 143 PHE CA C 62.122 0.3 1 1673 143 143 PHE CB C 39.423 0.3 1 1674 143 143 PHE CD1 C 132.715 0.3 1 1675 143 143 PHE CE2 C 130.958 0.3 1 1676 143 143 PHE N N 122.012 0.3 1 1677 144 144 THR H H 8.844 0.020 1 1678 144 144 THR HA H 4.383 0.020 1 1679 144 144 THR HB H 4.679 0.020 1 1680 144 144 THR HG2 H 1.313 0.020 1 1681 144 144 THR CA C 67.305 0.3 1 1682 144 144 THR CB C 68.643 0.3 1 1683 144 144 THR CG2 C 22.518 0.3 1 1684 144 144 THR N N 120.475 0.3 1 1685 145 145 LYS H H 8.101 0.020 1 1686 145 145 LYS HA H 3.914 0.020 1 1687 145 145 LYS HB2 H 1.838 0.020 1 1688 145 145 LYS HB3 H 1.838 0.020 1 1689 145 145 LYS HG2 H 1.358 0.020 1 1690 145 145 LYS HG3 H 1.358 0.020 1 1691 145 145 LYS HD2 H 1.718 0.020 1 1692 145 145 LYS HD3 H 1.718 0.020 1 1693 145 145 LYS HE2 H 2.898 0.020 1 1694 145 145 LYS HE3 H 2.898 0.020 1 1695 145 145 LYS C C 178.274 0.3 1 1696 145 145 LYS CA C 59.500 0.3 1 1697 145 145 LYS CB C 32.258 0.3 1 1698 145 145 LYS CG C 25.117 0.3 1 1699 145 145 LYS CD C 29.363 0.3 1 1700 145 145 LYS CE C 41.768 0.3 1 1701 145 145 LYS N N 121.924 0.3 1 1702 146 146 LYS H H 7.772 0.020 1 1703 146 146 LYS HA H 3.829 0.020 1 1704 146 146 LYS HB2 H 1.330 0.020 2 1705 146 146 LYS HB3 H 0.941 0.020 2 1706 146 146 LYS HG2 H 0.945 0.020 2 1707 146 146 LYS HG3 H 0.425 0.020 2 1708 146 146 LYS HD2 H 1.393 0.020 2 1709 146 146 LYS HD3 H 1.316 0.020 2 1710 146 146 LYS HE2 H 2.769 0.020 2 1711 146 146 LYS HE3 H 2.744 0.020 2 1712 146 146 LYS C C 177.974 0.3 1 1713 146 146 LYS CA C 59.072 0.3 1 1714 146 146 LYS CB C 33.409 0.3 1 1715 146 146 LYS CG C 24.749 0.3 1 1716 146 146 LYS CD C 29.085 0.3 1 1717 146 146 LYS CE C 41.885 0.3 1 1718 146 146 LYS N N 117.339 0.3 1 1719 147 147 TYR H H 7.903 0.020 1 1720 147 147 TYR HA H 4.785 0.020 1 1721 147 147 TYR HB2 H 3.303 0.020 2 1722 147 147 TYR HB3 H 2.189 0.020 2 1723 147 147 TYR HD1 H 6.446 0.020 1 1724 147 147 TYR HD2 H 6.446 0.020 1 1725 147 147 TYR HE1 H 6.563 0.020 1 1726 147 147 TYR HE2 H 6.563 0.020 1 1727 147 147 TYR C C 176.252 0.3 1 1728 147 147 TYR CA C 57.855 0.3 1 1729 147 147 TYR CB C 40.590 0.3 1 1730 147 147 TYR CD1 C 133.264 0.3 1 1731 147 147 TYR CE1 C 117.805 0.3 1 1732 147 147 TYR N N 112.774 0.3 1 1733 148 148 GLY H H 8.219 0.020 1 1734 148 148 GLY HA2 H 3.664 0.020 2 1735 148 148 GLY HA3 H 3.984 0.020 2 1736 148 148 GLY C C 174.205 0.3 1 1737 148 148 GLY CA C 45.051 0.3 1 1738 148 148 GLY N N 108.383 0.3 1 1739 149 149 GLU H H 8.127 0.020 1 1740 149 149 GLU HA H 4.462 0.020 1 1741 149 149 GLU HB2 H 2.074 0.020 2 1742 149 149 GLU HB3 H 1.315 0.020 2 1743 149 149 GLU HG2 H 2.201 0.020 1 1744 149 149 GLU HG3 H 2.201 0.020 1 1745 149 149 GLU C C 176.826 0.3 1 1746 149 149 GLU CA C 54.820 0.3 1 1747 149 149 GLU CB C 29.298 0.3 1 1748 149 149 GLU CG C 35.393 0.3 1 1749 149 149 GLU N N 117.458 0.3 1 1750 150 150 LYS H H 8.329 0.020 1 1751 150 150 LYS HA H 4.123 0.020 1 1752 150 150 LYS HB2 H 1.678 0.020 1 1753 150 150 LYS HB3 H 1.678 0.020 1 1754 150 150 LYS HG2 H 1.476 0.020 1 1755 150 150 LYS HG3 H 1.476 0.020 1 1756 150 150 LYS HD2 H 1.667 0.020 1 1757 150 150 LYS HD3 H 1.667 0.020 1 1758 150 150 LYS HE2 H 2.984 0.020 1 1759 150 150 LYS HE3 H 2.984 0.020 1 1760 150 150 LYS C C 176.820 0.3 1 1761 150 150 LYS CA C 56.238 0.3 1 1762 150 150 LYS CB C 32.265 0.3 1 1763 150 150 LYS CG C 24.674 0.3 1 1764 150 150 LYS CD C 28.868 0.3 1 1765 150 150 LYS CE C 41.871 0.3 1 1766 150 150 LYS N N 120.493 0.3 1 1767 151 151 ARG H H 8.510 0.020 1 1768 151 151 ARG HA H 4.083 0.020 1 1769 151 151 ARG HB2 H 1.873 0.020 2 1770 151 151 ARG HB3 H 1.414 0.020 2 1771 151 151 ARG HG2 H 1.438 0.020 1 1772 151 151 ARG HG3 H 1.438 0.020 1 1773 151 151 ARG HD2 H 2.946 0.020 1 1774 151 151 ARG HD3 H 2.946 0.020 1 1775 151 151 ARG C C 174.627 0.3 1 1776 151 151 ARG CA C 53.968 0.3 1 1777 151 151 ARG CB C 29.999 0.3 1 1778 151 151 ARG CG C 28.246 0.3 1 1779 151 151 ARG CD C 43.693 0.3 1 1780 151 151 ARG N N 123.939 0.3 1 1781 152 152 PRO HA H 4.420 0.020 1 1782 152 152 PRO HB2 H 2.284 0.020 2 1783 152 152 PRO HB3 H 1.904 0.020 2 1784 152 152 PRO HG2 H 1.854 0.020 2 1785 152 152 PRO HG3 H 1.784 0.020 2 1786 152 152 PRO HD2 H 3.664 0.020 2 1787 152 152 PRO HD3 H 3.403 0.020 2 1788 152 152 PRO C C 176.285 0.3 1 1789 152 152 PRO CA C 62.798 0.3 1 1790 152 152 PRO CB C 31.595 0.3 1 1791 152 152 PRO CG C 27.452 0.3 1 1792 152 152 PRO CD C 50.272 0.3 1 1793 153 153 VAL H H 8.280 0.020 1 1794 153 153 VAL HA H 4.149 0.020 1 1795 153 153 VAL HB H 2.158 0.020 1 1796 153 153 VAL HG1 H 0.901 0.020 1 1797 153 153 VAL HG2 H 0.946 0.020 1 1798 153 153 VAL C C 175.117 0.3 1 1799 153 153 VAL CA C 61.937 0.3 1 1800 153 153 VAL CB C 32.181 0.3 1 1801 153 153 VAL CG1 C 19.820 0.3 1 1802 153 153 VAL CG2 C 21.251 0.3 1 1803 153 153 VAL N N 119.182 0.3 1 1804 154 154 ASP H H 7.982 0.020 1 1805 154 154 ASP HA H 4.382 0.020 1 1806 154 154 ASP HB2 H 2.630 0.020 1 1807 154 154 ASP HB3 H 2.630 0.020 1 1808 154 154 ASP C C 180.820 0.3 1 1809 154 154 ASP CA C 55.428 0.3 1 1810 154 154 ASP CB C 42.112 0.3 1 1811 154 154 ASP N N 128.716 0.3 1 stop_ save_