data_27307 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments of RNase P protein from Thermotoga maritima ; _BMRB_accession_number 27307 _BMRB_flat_file_name bmr27307.str _Entry_type original _Submission_date 2017-11-08 _Accession_date 2017-11-08 _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 Zeng Danyun . . 2 Reiter Nicholas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 741 "13C chemical shifts" 547 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-25 update BMRB 'update entry citation' 2018-03-08 original author 'original release' stop_ _Original_release_date 2017-11-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments of RNase P protein from Thermotoga maritima ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29450823 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zeng Danyun . . 2 Brown Ben . . 3 Voehler Markus . . 4 Cai Sheng . . 5 Reiter Nicholas . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 183 _Page_last 187 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNase P protein monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNase P protein monomer' $RNase_P_protein_from_Thermotoga_maritima stop_ _System_molecular_weight 14317 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'RNA binding protein, RNA recognition motif' stop_ _Database_query_date . _Details monomeric save_ ######################## # Monomeric polymers # ######################## save_RNase_P_protein_from_Thermotoga_maritima _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNase_P_protein_from_Thermotoga_maritima _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSTESFTRRERLRLRRDFLL IFKEGKSLQNEYFVVLFRKN GLDYSRLGIVVKRKFGKATR RNKLKRWVREIFRRNKGVIP KGFDIVVIPRKKLSEEFERV DFWTVREKLLNLLKRIEG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 SER 3 2 THR 4 3 GLU 5 4 SER 6 5 PHE 7 6 THR 8 7 ARG 9 8 ARG 10 9 GLU 11 10 ARG 12 11 LEU 13 12 ARG 14 13 LEU 15 14 ARG 16 15 ARG 17 16 ASP 18 17 PHE 19 18 LEU 20 19 LEU 21 20 ILE 22 21 PHE 23 22 LYS 24 23 GLU 25 24 GLY 26 25 LYS 27 26 SER 28 27 LEU 29 28 GLN 30 29 ASN 31 30 GLU 32 31 TYR 33 32 PHE 34 33 VAL 35 34 VAL 36 35 LEU 37 36 PHE 38 37 ARG 39 38 LYS 40 39 ASN 41 40 GLY 42 41 LEU 43 42 ASP 44 43 TYR 45 44 SER 46 45 ARG 47 46 LEU 48 47 GLY 49 48 ILE 50 49 VAL 51 50 VAL 52 51 LYS 53 52 ARG 54 53 LYS 55 54 PHE 56 55 GLY 57 56 LYS 58 57 ALA 59 58 THR 60 59 ARG 61 60 ARG 62 61 ASN 63 62 LYS 64 63 LEU 65 64 LYS 66 65 ARG 67 66 TRP 68 67 VAL 69 68 ARG 70 69 GLU 71 70 ILE 72 71 PHE 73 72 ARG 74 73 ARG 75 74 ASN 76 75 LYS 77 76 GLY 78 77 VAL 79 78 ILE 80 79 PRO 81 80 LYS 82 81 GLY 83 82 PHE 84 83 ASP 85 84 ILE 86 85 VAL 87 86 VAL 88 87 ILE 89 88 PRO 90 89 ARG 91 90 LYS 92 91 LYS 93 92 LEU 94 93 SER 95 94 GLU 96 95 GLU 97 96 PHE 98 97 GLU 99 98 ARG 100 99 VAL 101 100 ASP 102 101 PHE 103 102 TRP 104 103 THR 105 104 VAL 106 105 ARG 107 106 GLU 108 107 LYS 109 108 LEU 110 109 LEU 111 110 ASN 112 111 LEU 113 112 LEU 114 113 LYS 115 114 ARG 116 115 ILE 117 116 GLU 118 117 GLY 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 Q9X1H4 rnpA_THEMA . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNase_P_protein_from_Thermotoga_maritima 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima 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 $RNase_P_protein_from_Thermotoga_maritima 'recombinant technology' . Escherichia coli . pGEX4Ta 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 $RNase_P_protein_from_Thermotoga_maritima 400 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' DSS 50 uM 'natural abundance' D2O 5 '% v/v' '[U-99% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNase_P_protein_from_Thermotoga_maritima 400 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' DSS 50 uM 'natural abundance' D2O 100 '% v/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.9.1.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_(H)CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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' 20 . mM pH 6.0 . pH pressure 1 . atm temperature 318 . 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' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D (H)CCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNase P protein monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 3 THR HA H 4.357 0.000 1 2 2 3 THR HB H 4.274 0.000 1 3 2 3 THR HG2 H 1.216 0.000 1 4 2 3 THR C C 174.772 0.000 1 5 2 3 THR CA C 62.215 0.000 1 6 2 3 THR CB C 69.571 0.000 1 7 2 3 THR CG2 C 21.686 0.000 1 8 3 4 GLU H H 8.366 0.000 1 9 3 4 GLU HA H 4.334 0.000 1 10 3 4 GLU HB2 H 2.020 0.000 2 11 3 4 GLU HB3 H 1.937 0.000 2 12 3 4 GLU HG2 H 2.257 0.000 1 13 3 4 GLU HG3 H 2.257 0.000 1 14 3 4 GLU C C 176.469 0.000 1 15 3 4 GLU CA C 56.758 0.000 1 16 3 4 GLU CB C 30.207 0.000 1 17 3 4 GLU CG C 36.295 0.000 1 18 3 4 GLU N N 123.014 0.000 1 19 4 5 SER H H 8.200 0.000 1 20 4 5 SER HA H 4.404 0.000 1 21 4 5 SER HB2 H 3.824 0.000 2 22 4 5 SER HB3 H 3.813 0.000 2 23 4 5 SER C C 174.356 0.000 1 24 4 5 SER CA C 58.549 0.000 1 25 4 5 SER CB C 63.951 0.000 1 26 4 5 SER N N 116.441 0.000 1 27 5 6 PHE H H 8.246 0.000 1 28 5 6 PHE HA H 4.732 0.000 1 29 5 6 PHE HB2 H 3.199 0.000 2 30 5 6 PHE HB3 H 3.051 0.000 2 31 5 6 PHE HD1 H 7.249 0.000 1 32 5 6 PHE HD2 H 7.249 0.000 1 33 5 6 PHE HE1 H 7.030 0.000 1 34 5 6 PHE HE2 H 7.030 0.000 1 35 5 6 PHE C C 175.938 0.000 1 36 5 6 PHE CA C 57.957 0.000 1 37 5 6 PHE CB C 39.501 0.000 1 38 5 6 PHE CD1 C 130.882 0.000 1 39 5 6 PHE CD2 C 130.882 0.000 1 40 5 6 PHE CE1 C 129.418 0.000 1 41 5 6 PHE CE2 C 129.418 0.000 1 42 5 6 PHE N N 122.417 0.000 1 43 6 7 THR H H 8.113 0.000 1 44 6 7 THR HA H 4.306 0.000 1 45 6 7 THR HB H 4.245 0.000 1 46 6 7 THR HG2 H 1.201 0.000 1 47 6 7 THR C C 174.963 0.000 1 48 6 7 THR CA C 62.259 0.000 1 49 6 7 THR CB C 69.969 0.000 1 50 6 7 THR CG2 C 21.750 0.000 1 51 6 7 THR N N 115.820 0.000 1 52 7 8 ARG H H 8.227 0.000 1 53 7 8 ARG HA H 4.182 0.000 1 54 7 8 ARG HB2 H 1.855 0.000 2 55 7 8 ARG HB3 H 1.812 0.000 2 56 7 8 ARG HG2 H 1.667 0.000 2 57 7 8 ARG HG3 H 1.613 0.000 2 58 7 8 ARG HD2 H 3.182 0.000 1 59 7 8 ARG HD3 H 3.182 0.000 1 60 7 8 ARG C C 177.249 0.000 1 61 7 8 ARG CA C 57.285 0.000 1 62 7 8 ARG CB C 30.204 0.000 1 63 7 8 ARG CG C 27.328 0.000 1 64 7 8 ARG CD C 43.418 0.000 1 65 7 8 ARG N N 122.462 0.000 1 66 8 9 ARG H H 8.075 0.000 1 67 8 9 ARG HA H 4.293 0.000 1 68 8 9 ARG HB2 H 1.777 0.000 2 69 8 9 ARG HB3 H 1.759 0.000 2 70 8 9 ARG HG2 H 1.487 0.000 2 71 8 9 ARG HG3 H 1.402 0.000 2 72 8 9 ARG HD2 H 2.898 0.000 2 73 8 9 ARG HD3 H 2.847 0.000 2 74 8 9 ARG C C 176.322 0.000 1 75 8 9 ARG CA C 57.214 0.000 1 76 8 9 ARG CB C 30.220 0.000 1 77 8 9 ARG CG C 27.077 0.000 1 78 8 9 ARG CD C 43.410 0.000 1 79 8 9 ARG N N 120.216 0.000 1 80 9 10 GLU H H 8.014 0.000 1 81 9 10 GLU HA H 4.433 0.000 1 82 9 10 GLU HB2 H 2.360 0.000 1 83 9 10 GLU HB3 H 2.360 0.000 1 84 9 10 GLU HG2 H 2.571 0.000 1 85 9 10 GLU HG3 H 2.571 0.000 1 86 9 10 GLU C C 175.538 0.000 1 87 9 10 GLU CA C 55.879 0.000 1 88 9 10 GLU CB C 30.203 0.000 1 89 9 10 GLU CG C 36.588 0.000 1 90 9 10 GLU N N 118.901 0.000 1 91 10 11 ARG H H 7.789 0.000 1 92 10 11 ARG HA H 4.664 0.000 1 93 10 11 ARG HB2 H 1.912 0.000 2 94 10 11 ARG HB3 H 1.823 0.000 2 95 10 11 ARG HG2 H 1.673 0.000 1 96 10 11 ARG HG3 H 1.673 0.000 1 97 10 11 ARG HD2 H 3.242 0.000 1 98 10 11 ARG HD3 H 3.242 0.000 1 99 10 11 ARG C C 175.848 0.000 1 100 10 11 ARG CA C 55.446 0.000 1 101 10 11 ARG CB C 31.517 0.000 1 102 10 11 ARG CG C 27.242 0.000 1 103 10 11 ARG CD C 43.545 0.000 1 104 10 11 ARG N N 121.375 0.000 1 105 11 12 LEU H H 7.980 0.000 1 106 11 12 LEU HA H 4.147 0.000 1 107 11 12 LEU HB2 H 1.402 0.000 2 108 11 12 LEU HB3 H 1.244 0.000 2 109 11 12 LEU HG H 1.294 0.000 1 110 11 12 LEU HD1 H 0.704 0.000 2 111 11 12 LEU HD2 H 0.653 0.000 2 112 11 12 LEU C C 176.510 0.000 1 113 11 12 LEU CA C 54.676 0.000 1 114 11 12 LEU CB C 43.544 0.000 1 115 11 12 LEU CG C 26.740 0.000 1 116 11 12 LEU CD1 C 25.361 0.000 2 117 11 12 LEU CD2 C 24.715 0.000 2 118 11 12 LEU N N 123.465 0.000 1 119 12 13 ARG H H 9.009 0.000 1 120 12 13 ARG HA H 4.659 0.000 1 121 12 13 ARG HB2 H 1.943 0.000 2 122 12 13 ARG HB3 H 1.833 0.000 2 123 12 13 ARG HG2 H 1.726 0.000 2 124 12 13 ARG HG3 H 1.600 0.000 2 125 12 13 ARG HD2 H 3.198 0.000 1 126 12 13 ARG HD3 H 3.198 0.000 1 127 12 13 ARG C C 176.662 0.000 1 128 12 13 ARG CA C 54.477 0.000 1 129 12 13 ARG CB C 28.248 0.000 1 130 12 13 ARG CG C 26.670 0.000 1 131 12 13 ARG CD C 43.584 0.000 1 132 12 13 ARG N N 126.409 0.000 1 133 14 15 ARG HA H 4.015 0.000 1 134 14 15 ARG HB2 H 1.974 0.000 1 135 14 15 ARG HB3 H 1.974 0.000 1 136 14 15 ARG HG2 H 1.802 0.000 2 137 14 15 ARG HG3 H 1.732 0.000 2 138 14 15 ARG HD2 H 3.299 0.000 1 139 14 15 ARG HD3 H 3.299 0.000 1 140 14 15 ARG C C 177.049 0.000 1 141 14 15 ARG CA C 59.843 0.000 1 142 14 15 ARG CB C 29.537 0.000 1 143 14 15 ARG CG C 28.066 0.000 1 144 14 15 ARG CD C 43.716 0.000 1 145 15 16 ARG H H 7.319 0.000 1 146 15 16 ARG HA H 4.444 0.000 1 147 15 16 ARG HB2 H 1.939 0.000 2 148 15 16 ARG HB3 H 1.854 0.000 2 149 15 16 ARG HG2 H 1.743 0.000 2 150 15 16 ARG HG3 H 1.643 0.000 2 151 15 16 ARG HD2 H 3.146 0.000 1 152 15 16 ARG HD3 H 3.146 0.000 1 153 15 16 ARG C C 178.352 0.000 1 154 15 16 ARG CA C 57.656 0.000 1 155 15 16 ARG CB C 31.780 0.000 1 156 15 16 ARG CG C 26.646 0.000 1 157 15 16 ARG CD C 43.485 0.000 1 158 15 16 ARG N N 116.075 0.000 1 159 16 17 ASP H H 8.357 0.000 1 160 16 17 ASP HA H 4.869 0.000 1 161 16 17 ASP HB2 H 2.778 0.000 2 162 16 17 ASP HB3 H 2.240 0.000 2 163 16 17 ASP C C 177.439 0.000 1 164 16 17 ASP CA C 56.438 0.000 1 165 16 17 ASP CB C 42.531 0.000 1 166 16 17 ASP N N 116.109 0.000 1 167 17 18 PHE H H 8.761 0.000 1 168 17 18 PHE HA H 4.150 0.000 1 169 17 18 PHE HB2 H 3.432 0.000 2 170 17 18 PHE HB3 H 3.061 0.000 2 171 17 18 PHE HD1 H 6.813 0.000 1 172 17 18 PHE HD2 H 6.813 0.000 1 173 17 18 PHE HE1 H 7.331 0.000 1 174 17 18 PHE HE2 H 7.331 0.000 1 175 17 18 PHE C C 175.913 0.000 1 176 17 18 PHE CA C 62.117 0.000 1 177 17 18 PHE CB C 39.501 0.000 1 178 17 18 PHE CD1 C 130.313 0.000 1 179 17 18 PHE CD2 C 130.313 0.000 1 180 17 18 PHE CE1 C 131.230 0.000 1 181 17 18 PHE CE2 C 131.230 0.000 1 182 17 18 PHE N N 120.755 0.000 1 183 18 19 LEU H H 8.532 0.000 1 184 18 19 LEU HA H 3.639 0.000 1 185 18 19 LEU HB2 H 1.867 0.000 2 186 18 19 LEU HB3 H 1.400 0.000 2 187 18 19 LEU HG H 1.326 0.000 1 188 18 19 LEU HD1 H 0.723 0.000 2 189 18 19 LEU HD2 H 0.293 0.000 2 190 18 19 LEU C C 177.042 0.000 1 191 18 19 LEU CA C 58.397 0.000 1 192 18 19 LEU CB C 41.453 0.000 1 193 18 19 LEU CG C 26.967 0.000 1 194 18 19 LEU CD1 C 26.280 0.000 2 195 18 19 LEU CD2 C 23.285 0.000 2 196 18 19 LEU N N 117.298 0.000 1 197 19 20 LEU H H 7.334 0.000 1 198 19 20 LEU HA H 3.937 0.000 1 199 19 20 LEU HB2 H 1.717 0.000 1 200 19 20 LEU HB3 H 1.717 0.000 1 201 19 20 LEU HG H 1.469 0.000 1 202 19 20 LEU HD1 H 0.838 0.000 2 203 19 20 LEU HD2 H 0.889 0.000 2 204 19 20 LEU C C 178.770 0.000 1 205 19 20 LEU CA C 58.178 0.000 1 206 19 20 LEU CB C 41.635 0.000 1 207 19 20 LEU CG C 27.392 0.000 1 208 19 20 LEU CD1 C 24.496 0.000 2 209 19 20 LEU CD2 C 24.032 0.000 2 210 19 20 LEU N N 117.894 0.000 1 211 20 21 ILE H H 7.973 0.000 1 212 20 21 ILE HA H 3.249 0.000 1 213 20 21 ILE HB H 1.648 0.000 1 214 20 21 ILE HG12 H 1.861 0.000 2 215 20 21 ILE HG13 H 0.781 0.000 2 216 20 21 ILE HG2 H 0.709 0.000 1 217 20 21 ILE HD1 H 0.773 0.000 1 218 20 21 ILE C C 177.699 0.000 1 219 20 21 ILE CA C 65.920 0.000 1 220 20 21 ILE CB C 38.191 0.000 1 221 20 21 ILE CG1 C 30.134 0.000 1 222 20 21 ILE CG2 C 17.645 0.000 1 223 20 21 ILE CD1 C 15.168 0.000 1 224 20 21 ILE N N 119.021 0.000 1 225 21 22 PHE H H 8.584 0.000 1 226 21 22 PHE HA H 3.678 0.000 1 227 21 22 PHE HB2 H 2.807 0.000 2 228 21 22 PHE HB3 H 2.146 0.000 2 229 21 22 PHE HD1 H 7.308 0.000 1 230 21 22 PHE HD2 H 7.308 0.000 1 231 21 22 PHE C C 177.021 0.000 1 232 21 22 PHE CA C 61.794 0.000 1 233 21 22 PHE CB C 39.560 0.000 1 234 21 22 PHE CD1 C 129.819 0.000 1 235 21 22 PHE CD2 C 129.819 0.000 1 236 21 22 PHE N N 121.021 0.000 1 237 22 23 LYS H H 8.392 0.000 1 238 22 23 LYS HA H 3.878 0.000 1 239 22 23 LYS HB2 H 1.840 0.000 1 240 22 23 LYS HB3 H 1.840 0.000 1 241 22 23 LYS HG2 H 1.288 0.000 1 242 22 23 LYS HG3 H 1.288 0.000 1 243 22 23 LYS HD2 H 1.609 0.000 1 244 22 23 LYS HD3 H 1.609 0.000 1 245 22 23 LYS HE2 H 2.964 0.000 1 246 22 23 LYS HE3 H 2.964 0.000 1 247 22 23 LYS C C 178.081 0.000 1 248 22 23 LYS CA C 59.979 0.000 1 249 22 23 LYS CB C 34.008 0.000 1 250 22 23 LYS CG C 26.041 0.000 1 251 22 23 LYS CD C 29.536 0.000 1 252 22 23 LYS CE C 41.451 0.000 1 253 22 23 LYS N N 114.647 0.000 1 254 23 24 GLU H H 8.309 0.000 1 255 23 24 GLU HA H 4.509 0.000 1 256 23 24 GLU HB2 H 2.220 0.000 2 257 23 24 GLU HB3 H 1.831 0.000 2 258 23 24 GLU HG2 H 2.327 0.000 2 259 23 24 GLU HG3 H 2.161 0.000 2 260 23 24 GLU C C 177.525 0.000 1 261 23 24 GLU CA C 56.479 0.000 1 262 23 24 GLU CB C 31.558 0.000 1 263 23 24 GLU CG C 36.617 0.000 1 264 23 24 GLU N N 115.178 0.000 1 265 24 25 GLY H H 8.024 0.000 1 266 24 25 GLY HA2 H 4.195 0.000 2 267 24 25 GLY HA3 H 3.666 0.000 2 268 24 25 GLY C C 173.333 0.000 1 269 24 25 GLY CA C 44.895 0.000 1 270 24 25 GLY N N 108.661 0.000 1 271 25 26 LYS H H 8.030 0.000 1 272 25 26 LYS HA H 4.353 0.000 1 273 25 26 LYS HB2 H 1.395 0.000 2 274 25 26 LYS HB3 H 0.566 0.000 2 275 25 26 LYS HG2 H 1.441 0.000 2 276 25 26 LYS HG3 H 1.312 0.000 2 277 25 26 LYS HD2 H 1.765 0.000 1 278 25 26 LYS HD3 H 1.765 0.000 1 279 25 26 LYS HE2 H 3.112 0.000 1 280 25 26 LYS HE3 H 3.112 0.000 1 281 25 26 LYS C C 174.485 0.000 1 282 25 26 LYS CA C 55.136 0.000 1 283 25 26 LYS CB C 35.398 0.000 1 284 25 26 LYS CG C 25.762 0.000 1 285 25 26 LYS CD C 29.428 0.000 1 286 25 26 LYS CE C 42.416 0.000 1 287 25 26 LYS N N 120.629 0.000 1 288 26 27 SER H H 7.840 0.000 1 289 26 27 SER HA H 5.829 0.000 1 290 26 27 SER HB2 H 3.640 0.000 2 291 26 27 SER HB3 H 3.567 0.000 2 292 26 27 SER C C 173.960 0.000 1 293 26 27 SER CA C 56.472 0.000 1 294 26 27 SER CB C 66.860 0.000 1 295 26 27 SER N N 112.115 0.000 1 296 27 28 LEU H H 9.101 0.000 1 297 27 28 LEU HA H 4.797 0.000 1 298 27 28 LEU HB2 H 1.595 0.000 1 299 27 28 LEU HB3 H 1.595 0.000 1 300 27 28 LEU HG H 1.772 0.000 1 301 27 28 LEU HD1 H 0.729 0.000 2 302 27 28 LEU HD2 H 1.088 0.000 2 303 27 28 LEU C C 174.991 0.000 1 304 27 28 LEU CA C 54.100 0.000 1 305 27 28 LEU CB C 48.460 0.000 1 306 27 28 LEU CG C 27.071 0.000 1 307 27 28 LEU CD1 C 27.387 0.000 2 308 27 28 LEU CD2 C 23.826 0.000 2 309 27 28 LEU N N 124.149 0.000 1 310 28 29 GLN H H 8.558 0.000 1 311 28 29 GLN HA H 5.628 0.000 1 312 28 29 GLN HB2 H 2.347 0.000 2 313 28 29 GLN HB3 H 2.194 0.000 2 314 28 29 GLN HG2 H 2.356 0.000 2 315 28 29 GLN HG3 H 2.268 0.000 2 316 28 29 GLN HE21 H 7.185 0.000 1 317 28 29 GLN HE22 H 6.714 0.000 1 318 28 29 GLN C C 175.051 0.000 1 319 28 29 GLN CA C 54.548 0.000 1 320 28 29 GLN CB C 32.582 0.000 1 321 28 29 GLN CG C 33.217 0.000 1 322 28 29 GLN N N 114.824 0.000 1 323 28 29 GLN NE2 N 110.414 0.000 1 324 29 30 ASN H H 8.920 0.000 1 325 29 30 ASN HA H 4.829 0.000 1 326 29 30 ASN HB2 H 3.500 0.000 2 327 29 30 ASN HB3 H 3.142 0.000 2 328 29 30 ASN C C 175.247 0.000 1 329 29 30 ASN CA C 51.787 0.000 1 330 29 30 ASN CB C 38.977 0.000 1 331 29 30 ASN N N 120.305 0.000 1 332 30 31 GLU H H 9.836 0.000 1 333 30 31 GLU HA H 4.076 0.000 1 334 30 31 GLU HB2 H 1.864 0.000 2 335 30 31 GLU HB3 H 1.715 0.000 2 336 30 31 GLU HG2 H 1.995 0.000 2 337 30 31 GLU HG3 H 1.832 0.000 2 338 30 31 GLU C C 176.506 0.000 1 339 30 31 GLU CA C 59.245 0.000 1 340 30 31 GLU CB C 28.819 0.000 1 341 30 31 GLU CG C 35.490 0.000 1 342 30 31 GLU N N 116.613 0.000 1 343 31 32 TYR H H 7.744 0.000 1 344 31 32 TYR HA H 4.795 0.000 1 345 31 32 TYR HB2 H 2.623 0.000 2 346 31 32 TYR HB3 H 2.479 0.000 2 347 31 32 TYR HE1 H 6.701 0.000 1 348 31 32 TYR HE2 H 6.701 0.000 1 349 31 32 TYR C C 175.217 0.000 1 350 31 32 TYR CA C 55.948 0.000 1 351 31 32 TYR CB C 41.879 0.000 1 352 31 32 TYR CE1 C 117.792 0.000 1 353 31 32 TYR CE2 C 117.792 0.000 1 354 31 32 TYR N N 113.927 0.000 1 355 32 33 PHE H H 8.027 0.000 1 356 32 33 PHE HA H 5.480 0.000 1 357 32 33 PHE HB2 H 2.871 0.000 2 358 32 33 PHE HB3 H 2.623 0.000 2 359 32 33 PHE HD1 H 6.849 0.000 1 360 32 33 PHE HD2 H 6.849 0.000 1 361 32 33 PHE C C 173.583 0.000 1 362 32 33 PHE CA C 57.484 0.000 1 363 32 33 PHE CB C 44.735 0.000 1 364 32 33 PHE CD1 C 131.627 0.000 1 365 32 33 PHE CD2 C 131.627 0.000 1 366 32 33 PHE N N 115.327 0.000 1 367 33 34 VAL H H 9.175 0.000 1 368 33 34 VAL HA H 4.646 0.000 1 369 33 34 VAL HB H 2.177 0.000 1 370 33 34 VAL HG1 H 1.104 0.000 2 371 33 34 VAL HG2 H 1.073 0.000 2 372 33 34 VAL C C 174.872 0.000 1 373 33 34 VAL CA C 62.265 0.000 1 374 33 34 VAL CB C 34.508 0.000 1 375 33 34 VAL CG1 C 21.283 0.000 2 376 33 34 VAL CG2 C 21.246 0.000 2 377 33 34 VAL N N 120.722 0.000 1 378 34 35 VAL H H 9.257 0.000 1 379 34 35 VAL HA H 5.281 0.000 1 380 34 35 VAL HB H 1.861 0.000 1 381 34 35 VAL HG1 H 0.830 0.000 2 382 34 35 VAL HG2 H 0.823 0.000 2 383 34 35 VAL C C 174.376 0.000 1 384 34 35 VAL CA C 60.033 0.000 1 385 34 35 VAL CB C 34.788 0.000 1 386 34 35 VAL CG1 C 22.710 0.000 2 387 34 35 VAL CG2 C 22.072 0.000 2 388 34 35 VAL N N 124.711 0.000 1 389 35 36 LEU H H 9.206 0.000 1 390 35 36 LEU HA H 5.473 0.000 1 391 35 36 LEU HB2 H 1.597 0.000 2 392 35 36 LEU HB3 H 1.389 0.000 2 393 35 36 LEU HG H 1.650 0.000 1 394 35 36 LEU HD1 H 0.805 0.000 2 395 35 36 LEU HD2 H 0.766 0.000 2 396 35 36 LEU C C 176.914 0.000 1 397 35 36 LEU CA C 52.552 0.000 1 398 35 36 LEU CB C 44.914 0.000 1 399 35 36 LEU CG C 26.284 0.000 1 400 35 36 LEU CD1 C 26.216 0.000 2 401 35 36 LEU CD2 C 23.408 0.000 2 402 35 36 LEU N N 125.899 0.000 1 403 36 37 PHE H H 8.475 0.000 1 404 36 37 PHE HA H 6.234 0.000 1 405 36 37 PHE HB2 H 2.929 0.000 1 406 36 37 PHE HB3 H 2.929 0.000 1 407 36 37 PHE HD1 H 7.198 0.000 1 408 36 37 PHE HD2 H 7.198 0.000 1 409 36 37 PHE C C 173.658 0.000 1 410 36 37 PHE CA C 55.284 0.000 1 411 36 37 PHE CB C 41.782 0.000 1 412 36 37 PHE CD1 C 130.962 0.000 1 413 36 37 PHE CD2 C 130.962 0.000 1 414 36 37 PHE N N 115.539 0.000 1 415 37 38 ARG H H 8.806 0.000 1 416 37 38 ARG HA H 4.994 0.000 1 417 37 38 ARG HB2 H 1.747 0.000 1 418 37 38 ARG HB3 H 1.747 0.000 1 419 37 38 ARG HG2 H 1.727 0.000 2 420 37 38 ARG HG3 H 1.554 0.000 2 421 37 38 ARG HD2 H 3.035 0.000 2 422 37 38 ARG HD3 H 2.892 0.000 2 423 37 38 ARG C C 174.887 0.000 1 424 37 38 ARG CA C 54.477 0.000 1 425 37 38 ARG CB C 35.287 0.000 1 426 37 38 ARG CG C 27.043 0.000 1 427 37 38 ARG CD C 43.800 0.000 1 428 37 38 ARG N N 118.102 0.000 1 429 38 39 LYS H H 9.295 0.000 1 430 38 39 LYS HA H 4.128 0.000 1 431 38 39 LYS HB2 H 1.749 0.000 2 432 38 39 LYS HB3 H 1.677 0.000 2 433 38 39 LYS HG2 H 1.340 0.000 2 434 38 39 LYS HG3 H 1.057 0.000 2 435 38 39 LYS HD2 H 1.517 0.000 1 436 38 39 LYS HD3 H 1.517 0.000 1 437 38 39 LYS HE2 H 2.937 0.000 1 438 38 39 LYS HE3 H 2.937 0.000 1 439 38 39 LYS C C 177.632 0.000 1 440 38 39 LYS CA C 57.872 0.000 1 441 38 39 LYS CB C 32.389 0.000 1 442 38 39 LYS CG C 25.608 0.000 1 443 38 39 LYS CD C 29.169 0.000 1 444 38 39 LYS CE C 42.039 0.000 1 445 38 39 LYS N N 129.451 0.000 1 446 39 40 ASN H H 7.999 0.000 1 447 39 40 ASN HA H 4.645 0.000 1 448 39 40 ASN HB2 H 2.909 0.000 2 449 39 40 ASN HB3 H 2.445 0.000 2 450 39 40 ASN C C 176.751 0.000 1 451 39 40 ASN CA C 51.971 0.000 1 452 39 40 ASN CB C 40.674 0.000 1 453 39 40 ASN N N 120.038 0.000 1 454 40 41 GLY H H 8.088 0.000 1 455 40 41 GLY HA2 H 4.005 0.000 2 456 40 41 GLY HA3 H 3.671 0.000 2 457 40 41 GLY C C 173.733 0.000 1 458 40 41 GLY CA C 45.842 0.000 1 459 40 41 GLY N N 109.134 0.000 1 460 41 42 LEU H H 8.475 0.000 1 461 41 42 LEU HA H 4.584 0.000 1 462 41 42 LEU HB2 H 1.453 0.000 2 463 41 42 LEU HB3 H 0.881 0.000 2 464 41 42 LEU HG H 1.113 0.000 1 465 41 42 LEU HD1 H 0.420 0.000 2 466 41 42 LEU HD2 H 0.731 0.000 2 467 41 42 LEU C C 176.859 0.000 1 468 41 42 LEU CA C 52.697 0.000 1 469 41 42 LEU CB C 43.063 0.000 1 470 41 42 LEU CG C 26.154 0.000 1 471 41 42 LEU CD1 C 23.542 0.000 2 472 41 42 LEU CD2 C 22.005 0.000 2 473 41 42 LEU N N 121.017 0.000 1 474 42 43 ASP H H 8.227 0.000 1 475 42 43 ASP HA H 4.676 0.000 1 476 42 43 ASP HB2 H 2.847 0.000 2 477 42 43 ASP HB3 H 2.720 0.000 2 478 42 43 ASP C C 174.108 0.000 1 479 42 43 ASP CA C 53.209 0.000 1 480 42 43 ASP CB C 40.284 0.000 1 481 42 43 ASP N N 116.526 0.000 1 482 43 44 TYR H H 6.880 0.000 1 483 43 44 TYR HA H 4.996 0.000 1 484 43 44 TYR HB2 H 3.254 0.000 2 485 43 44 TYR HB3 H 3.091 0.000 2 486 43 44 TYR HE1 H 6.624 0.000 1 487 43 44 TYR HE2 H 6.624 0.000 1 488 43 44 TYR C C 174.386 0.000 1 489 43 44 TYR CA C 55.056 0.000 1 490 43 44 TYR CB C 40.001 0.000 1 491 43 44 TYR CE1 C 117.645 0.000 1 492 43 44 TYR CE2 C 117.645 0.000 1 493 43 44 TYR N N 111.727 0.000 1 494 44 45 SER H H 9.429 0.000 1 495 44 45 SER HA H 5.424 0.000 1 496 44 45 SER HB2 H 4.419 0.000 2 497 44 45 SER HB3 H 4.070 0.000 2 498 44 45 SER C C 172.562 0.000 1 499 44 45 SER CA C 58.364 0.000 1 500 44 45 SER CB C 65.080 0.000 1 501 44 45 SER N N 117.624 0.000 1 502 45 46 ARG H H 8.926 0.000 1 503 45 46 ARG HA H 5.057 0.000 1 504 45 46 ARG HB2 H 2.294 0.000 1 505 45 46 ARG HB3 H 2.294 0.000 1 506 45 46 ARG C C 173.680 0.000 1 507 45 46 ARG CA C 55.122 0.000 1 508 45 46 ARG CB C 35.047 0.000 1 509 45 46 ARG N N 120.274 0.000 1 510 46 47 LEU H H 8.250 0.000 1 511 46 47 LEU HA H 5.293 0.000 1 512 46 47 LEU HB2 H 1.004 0.000 1 513 46 47 LEU HB3 H 1.004 0.000 1 514 46 47 LEU HG H 1.095 0.000 1 515 46 47 LEU HD1 H 0.410 0.000 2 516 46 47 LEU HD2 H 0.469 0.000 2 517 46 47 LEU C C 176.576 0.000 1 518 46 47 LEU CA C 53.570 0.000 1 519 46 47 LEU CB C 45.123 0.000 1 520 46 47 LEU CG C 26.787 0.000 1 521 46 47 LEU CD1 C 25.890 0.000 2 522 46 47 LEU CD2 C 23.465 0.000 2 523 46 47 LEU N N 122.394 0.000 1 524 47 48 GLY H H 9.380 0.000 1 525 47 48 GLY HA2 H 4.866 0.000 2 526 47 48 GLY HA3 H 3.416 0.000 2 527 47 48 GLY C C 170.540 0.000 1 528 47 48 GLY CA C 44.306 0.000 1 529 47 48 GLY N N 114.701 0.000 1 530 48 49 ILE H H 8.539 0.000 1 531 48 49 ILE HA H 4.994 0.000 1 532 48 49 ILE HB H 1.594 0.000 1 533 48 49 ILE HG12 H 1.511 0.000 2 534 48 49 ILE HG13 H 0.725 0.000 2 535 48 49 ILE HG2 H 0.748 0.000 1 536 48 49 ILE HD1 H 0.890 0.000 1 537 48 49 ILE C C 174.135 0.000 1 538 48 49 ILE CA C 60.134 0.000 1 539 48 49 ILE CB C 41.189 0.000 1 540 48 49 ILE CG1 C 28.577 0.000 1 541 48 49 ILE CG2 C 18.033 0.000 1 542 48 49 ILE CD1 C 16.565 0.000 1 543 48 49 ILE N N 122.088 0.000 1 544 49 50 VAL H H 8.332 0.000 1 545 49 50 VAL HA H 3.979 0.000 1 546 49 50 VAL HB H 1.753 0.000 1 547 49 50 VAL HG1 H 0.314 0.000 2 548 49 50 VAL HG2 H 0.545 0.000 2 549 49 50 VAL C C 172.392 0.000 1 550 49 50 VAL CA C 61.469 0.000 1 551 49 50 VAL CB C 33.467 0.000 1 552 49 50 VAL CG1 C 21.774 0.000 2 553 49 50 VAL CG2 C 21.130 0.000 2 554 49 50 VAL N N 127.451 0.000 1 555 50 51 VAL H H 8.374 0.000 1 556 50 51 VAL HA H 4.042 0.000 1 557 50 51 VAL HB H 1.891 0.000 1 558 50 51 VAL HG1 H 0.603 0.000 2 559 50 51 VAL HG2 H 0.578 0.000 2 560 50 51 VAL C C 175.819 0.000 1 561 50 51 VAL CA C 60.410 0.000 1 562 50 51 VAL CB C 32.389 0.000 1 563 50 51 VAL CG1 C 22.467 0.000 2 564 50 51 VAL CG2 C 22.113 0.000 2 565 50 51 VAL N N 124.884 0.000 1 566 51 52 LYS H H 8.501 0.000 1 567 51 52 LYS HA H 4.232 0.000 1 568 51 52 LYS HB2 H 1.678 0.000 1 569 51 52 LYS HB3 H 1.678 0.000 1 570 51 52 LYS C C 177.729 0.000 1 571 51 52 LYS CA C 57.603 0.000 1 572 51 52 LYS CB C 32.688 0.000 1 573 51 52 LYS N N 125.872 0.000 1 574 52 53 ARG H H 8.475 0.000 1 575 52 53 ARG HA H 3.879 0.000 1 576 52 53 ARG HB2 H 1.922 0.000 1 577 52 53 ARG HB3 H 1.922 0.000 1 578 52 53 ARG HG2 H 1.678 0.000 1 579 52 53 ARG HG3 H 1.678 0.000 1 580 52 53 ARG HD2 H 3.238 0.000 1 581 52 53 ARG HD3 H 3.238 0.000 1 582 52 53 ARG C C 178.138 0.000 1 583 52 53 ARG CA C 59.416 0.000 1 584 52 53 ARG CB C 29.945 0.000 1 585 52 53 ARG CG C 27.330 0.000 1 586 52 53 ARG CD C 43.157 0.000 1 587 52 53 ARG N N 123.137 0.000 1 588 53 54 LYS H H 8.055 0.000 1 589 53 54 LYS HA H 4.098 0.000 1 590 53 54 LYS HB2 H 1.829 0.000 1 591 53 54 LYS HB3 H 1.829 0.000 1 592 53 54 LYS HG2 H 1.418 0.000 1 593 53 54 LYS HG3 H 1.418 0.000 1 594 53 54 LYS HD2 H 1.693 0.000 1 595 53 54 LYS HD3 H 1.693 0.000 1 596 53 54 LYS HE2 H 2.994 0.000 1 597 53 54 LYS HE3 H 2.994 0.000 1 598 53 54 LYS C C 176.367 0.000 1 599 53 54 LYS CA C 56.622 0.000 1 600 53 54 LYS CB C 31.515 0.000 1 601 53 54 LYS CG C 24.419 0.000 1 602 53 54 LYS CD C 28.874 0.000 1 603 53 54 LYS CE C 42.084 0.000 1 604 53 54 LYS N N 113.215 0.000 1 605 54 55 PHE H H 8.151 0.000 1 606 54 55 PHE HA H 3.914 0.000 1 607 54 55 PHE HB2 H 3.278 0.000 2 608 54 55 PHE HB3 H 2.640 0.000 2 609 54 55 PHE HD1 H 6.833 0.000 1 610 54 55 PHE HD2 H 6.833 0.000 1 611 54 55 PHE HE1 H 6.618 0.000 1 612 54 55 PHE HE2 H 6.618 0.000 1 613 54 55 PHE C C 175.829 0.000 1 614 54 55 PHE CA C 61.307 0.000 1 615 54 55 PHE CB C 41.067 0.000 1 616 54 55 PHE CD1 C 132.986 0.000 1 617 54 55 PHE CD2 C 132.986 0.000 1 618 54 55 PHE CE1 C 130.155 0.000 1 619 54 55 PHE CE2 C 130.155 0.000 1 620 54 55 PHE N N 121.942 0.000 1 621 55 56 GLY H H 7.367 0.000 1 622 55 56 GLY HA2 H 3.916 0.000 1 623 55 56 GLY HA3 H 3.916 0.000 1 624 55 56 GLY C C 171.417 0.000 1 625 55 56 GLY CA C 43.647 0.000 1 626 55 56 GLY N N 100.887 0.000 1 627 56 57 LYS H H 8.520 0.000 1 628 56 57 LYS HA H 4.399 0.000 1 629 56 57 LYS HB2 H 2.139 0.000 2 630 56 57 LYS HB3 H 1.922 0.000 2 631 56 57 LYS HG2 H 1.612 0.000 2 632 56 57 LYS HG3 H 1.575 0.000 2 633 56 57 LYS HD2 H 1.783 0.000 1 634 56 57 LYS HD3 H 1.783 0.000 1 635 56 57 LYS HE2 H 3.060 0.000 1 636 56 57 LYS HE3 H 3.060 0.000 1 637 56 57 LYS C C 177.632 0.000 1 638 56 57 LYS CA C 56.415 0.000 1 639 56 57 LYS CB C 33.086 0.000 1 640 56 57 LYS CG C 25.107 0.000 1 641 56 57 LYS CD C 29.161 0.000 1 642 56 57 LYS CE C 42.244 0.000 1 643 56 57 LYS N N 117.918 0.000 1 644 57 58 ALA H H 8.232 0.000 1 645 57 58 ALA HA H 3.817 0.000 1 646 57 58 ALA HB H 1.535 0.000 1 647 57 58 ALA CA C 56.757 0.000 1 648 57 58 ALA CB C 18.357 0.000 1 649 57 58 ALA N N 122.452 0.000 1 650 58 59 THR H H 8.092 0.000 1 651 58 59 THR HA H 4.033 0.000 1 652 58 59 THR HB H 4.193 0.000 1 653 58 59 THR HG2 H 1.338 0.000 1 654 58 59 THR C C 177.200 0.000 1 655 58 59 THR CA C 65.373 0.000 1 656 58 59 THR CB C 68.092 0.000 1 657 58 59 THR CG2 C 22.445 0.000 1 658 58 59 THR N N 107.789 0.000 1 659 59 60 ARG H H 7.160 0.000 1 660 59 60 ARG HA H 4.129 0.000 1 661 59 60 ARG HB2 H 1.982 0.000 2 662 59 60 ARG HB3 H 1.710 0.000 2 663 59 60 ARG HG2 H 1.569 0.000 2 664 59 60 ARG HG3 H 1.512 0.000 2 665 59 60 ARG HD2 H 3.069 0.000 1 666 59 60 ARG HD3 H 3.069 0.000 1 667 59 60 ARG C C 177.934 0.000 1 668 59 60 ARG CA C 59.124 0.000 1 669 59 60 ARG CB C 30.937 0.000 1 670 59 60 ARG CG C 27.431 0.000 1 671 59 60 ARG CD C 43.936 0.000 1 672 59 60 ARG N N 122.923 0.000 1 673 60 61 ARG H H 7.954 0.000 1 674 60 61 ARG HA H 3.595 0.000 1 675 60 61 ARG HB2 H 2.005 0.000 1 676 60 61 ARG HB3 H 2.005 0.000 1 677 60 61 ARG HG2 H 1.525 0.000 1 678 60 61 ARG HG3 H 1.525 0.000 1 679 60 61 ARG HD2 H 3.239 0.000 1 680 60 61 ARG HD3 H 3.239 0.000 1 681 60 61 ARG C C 178.166 0.000 1 682 60 61 ARG CA C 60.603 0.000 1 683 60 61 ARG CB C 29.919 0.000 1 684 60 61 ARG CG C 28.383 0.000 1 685 60 61 ARG CD C 43.682 0.000 1 686 60 61 ARG N N 116.968 0.000 1 687 61 62 ASN H H 8.698 0.000 1 688 61 62 ASN HA H 4.377 0.000 1 689 61 62 ASN HB2 H 2.856 0.000 2 690 61 62 ASN HB3 H 2.769 0.000 2 691 61 62 ASN HD21 H 7.490 0.000 1 692 61 62 ASN HD22 H 7.000 0.000 1 693 61 62 ASN C C 177.675 0.000 1 694 61 62 ASN CA C 55.754 0.000 1 695 61 62 ASN CB C 37.630 0.000 1 696 61 62 ASN N N 115.539 0.000 1 697 61 62 ASN ND2 N 111.932 0.000 1 698 62 63 LYS H H 7.573 0.000 1 699 62 63 LYS HA H 3.805 0.000 1 700 62 63 LYS HB2 H 1.865 0.000 2 701 62 63 LYS HB3 H 1.741 0.000 2 702 62 63 LYS HG2 H 1.603 0.000 2 703 62 63 LYS HG3 H 0.309 0.000 2 704 62 63 LYS HD2 H 1.537 0.000 2 705 62 63 LYS HD3 H 1.443 0.000 2 706 62 63 LYS HE2 H 2.559 0.000 2 707 62 63 LYS HE3 H 2.470 0.000 2 708 62 63 LYS C C 176.888 0.000 1 709 62 63 LYS CA C 59.792 0.000 1 710 62 63 LYS CB C 32.004 0.000 1 711 62 63 LYS CG C 24.182 0.000 1 712 62 63 LYS CD C 29.570 0.000 1 713 62 63 LYS CE C 41.929 0.000 1 714 62 63 LYS N N 122.890 0.000 1 715 63 64 LEU H H 7.551 0.000 1 716 63 64 LEU HA H 4.026 0.000 1 717 63 64 LEU HB2 H 1.702 0.000 2 718 63 64 LEU HB3 H 1.387 0.000 2 719 63 64 LEU HG H 1.384 0.000 1 720 63 64 LEU HD1 H 0.697 0.000 2 721 63 64 LEU HD2 H 0.908 0.000 2 722 63 64 LEU C C 178.932 0.000 1 723 63 64 LEU CA C 57.266 0.000 1 724 63 64 LEU CB C 39.828 0.000 1 725 63 64 LEU CG C 27.242 0.000 1 726 63 64 LEU CD1 C 24.730 0.000 2 727 63 64 LEU CD2 C 23.530 0.000 2 728 63 64 LEU N N 117.203 0.000 1 729 64 65 LYS H H 8.043 0.000 1 730 64 65 LYS HA H 3.689 0.000 1 731 64 65 LYS HB2 H 1.921 0.000 2 732 64 65 LYS HB3 H 1.829 0.000 2 733 64 65 LYS HG2 H 1.733 0.000 2 734 64 65 LYS HG3 H 1.126 0.000 2 735 64 65 LYS HD2 H 1.739 0.000 1 736 64 65 LYS HD3 H 1.739 0.000 1 737 64 65 LYS HE2 H 2.853 0.000 1 738 64 65 LYS HE3 H 2.853 0.000 1 739 64 65 LYS C C 177.736 0.000 1 740 64 65 LYS CA C 61.233 0.000 1 741 64 65 LYS CB C 32.393 0.000 1 742 64 65 LYS CG C 26.217 0.000 1 743 64 65 LYS CD C 29.746 0.000 1 744 64 65 LYS CE C 42.127 0.000 1 745 64 65 LYS N N 117.103 0.000 1 746 65 66 ARG H H 8.012 0.000 1 747 65 66 ARG HA H 4.069 0.000 1 748 65 66 ARG HB2 H 2.065 0.000 1 749 65 66 ARG HB3 H 2.065 0.000 1 750 65 66 ARG HG2 H 1.884 0.000 2 751 65 66 ARG HG3 H 1.726 0.000 2 752 65 66 ARG HD2 H 3.304 0.000 1 753 65 66 ARG HD3 H 3.304 0.000 1 754 65 66 ARG C C 179.438 0.000 1 755 65 66 ARG CA C 59.880 0.000 1 756 65 66 ARG CB C 29.811 0.000 1 757 65 66 ARG CG C 27.718 0.000 1 758 65 66 ARG CD C 43.799 0.000 1 759 65 66 ARG N N 118.427 0.000 1 760 66 67 TRP H H 8.691 0.000 1 761 66 67 TRP HA H 4.799 0.000 1 762 66 67 TRP HB2 H 3.840 0.000 2 763 66 67 TRP HB3 H 3.161 0.000 2 764 66 67 TRP HD1 H 7.159 0.000 1 765 66 67 TRP HE1 H 10.147 0.000 1 766 66 67 TRP HZ2 H 7.593 0.000 1 767 66 67 TRP C C 178.518 0.000 1 768 66 67 TRP CA C 59.288 0.000 1 769 66 67 TRP CB C 29.318 0.000 1 770 66 67 TRP CD1 C 124.017 0.000 1 771 66 67 TRP CZ2 C 114.585 0.000 1 772 66 67 TRP N N 119.814 0.000 1 773 66 67 TRP NE1 N 127.573 0.000 1 774 67 68 VAL H H 8.703 0.000 1 775 67 68 VAL HA H 3.450 0.000 1 776 67 68 VAL HB H 2.159 0.000 1 777 67 68 VAL HG1 H 1.023 0.000 2 778 67 68 VAL HG2 H 0.761 0.000 2 779 67 68 VAL C C 177.244 0.000 1 780 67 68 VAL CA C 67.598 0.000 1 781 67 68 VAL CB C 31.172 0.000 1 782 67 68 VAL CG1 C 23.193 0.000 2 783 67 68 VAL CG2 C 21.970 0.000 2 784 67 68 VAL N N 117.685 0.000 1 785 68 69 ARG H H 8.424 0.000 1 786 68 69 ARG HA H 3.819 0.000 1 787 68 69 ARG HB2 H 2.006 0.000 2 788 68 69 ARG HB3 H 1.916 0.000 2 789 68 69 ARG HG2 H 1.528 0.000 1 790 68 69 ARG HG3 H 1.528 0.000 1 791 68 69 ARG HD2 H 2.938 0.000 1 792 68 69 ARG HD3 H 2.938 0.000 1 793 68 69 ARG C C 178.746 0.000 1 794 68 69 ARG CA C 60.483 0.000 1 795 68 69 ARG CB C 29.987 0.000 1 796 68 69 ARG CG C 28.166 0.000 1 797 68 69 ARG CD C 43.684 0.000 1 798 68 69 ARG N N 118.549 0.000 1 799 69 70 GLU H H 8.335 0.000 1 800 69 70 GLU HA H 4.267 0.000 1 801 69 70 GLU HB2 H 2.389 0.000 2 802 69 70 GLU HB3 H 2.189 0.000 2 803 69 70 GLU HG2 H 2.389 0.000 1 804 69 70 GLU HG3 H 2.389 0.000 1 805 69 70 GLU C C 178.768 0.000 1 806 69 70 GLU CA C 59.341 0.000 1 807 69 70 GLU CB C 29.613 0.000 1 808 69 70 GLU CG C 35.998 0.000 1 809 69 70 GLU N N 119.916 0.000 1 810 70 71 ILE H H 8.616 0.000 1 811 70 71 ILE HA H 3.603 0.000 1 812 70 71 ILE HB H 1.884 0.000 1 813 70 71 ILE HG12 H 2.029 0.000 2 814 70 71 ILE HG13 H 0.514 0.000 2 815 70 71 ILE HG2 H 0.759 0.000 1 816 70 71 ILE HD1 H 0.471 0.000 1 817 70 71 ILE C C 178.718 0.000 1 818 70 71 ILE CA C 65.518 0.000 1 819 70 71 ILE CB C 37.779 0.000 1 820 70 71 ILE CG1 C 30.923 0.000 1 821 70 71 ILE CG2 C 17.946 0.000 1 822 70 71 ILE CD1 C 13.733 0.000 1 823 70 71 ILE N N 120.182 0.000 1 824 71 72 PHE H H 8.336 0.000 1 825 71 72 PHE HA H 3.869 0.000 1 826 71 72 PHE HB2 H 3.196 0.000 2 827 71 72 PHE HB3 H 2.893 0.000 2 828 71 72 PHE HD1 H 7.253 0.000 1 829 71 72 PHE HD2 H 7.253 0.000 1 830 71 72 PHE C C 175.868 0.000 1 831 71 72 PHE CA C 61.371 0.000 1 832 71 72 PHE CB C 40.593 0.000 1 833 71 72 PHE CD1 C 129.702 0.000 1 834 71 72 PHE CD2 C 129.702 0.000 1 835 71 72 PHE N N 119.947 0.000 1 836 72 73 ARG H H 8.449 0.000 1 837 72 73 ARG HA H 3.864 0.000 1 838 72 73 ARG HB2 H 2.071 0.000 2 839 72 73 ARG HB3 H 1.970 0.000 2 840 72 73 ARG HG2 H 1.817 0.000 2 841 72 73 ARG HG3 H 1.720 0.000 2 842 72 73 ARG HD2 H 3.298 0.000 2 843 72 73 ARG HD3 H 3.208 0.000 2 844 72 73 ARG C C 179.245 0.000 1 845 72 73 ARG CA C 59.659 0.000 1 846 72 73 ARG CB C 30.657 0.000 1 847 72 73 ARG CG C 27.467 0.000 1 848 72 73 ARG CD C 43.684 0.000 1 849 72 73 ARG N N 116.137 0.000 1 850 73 74 ARG H H 8.246 0.000 1 851 73 74 ARG HA H 4.237 0.000 1 852 73 74 ARG HB2 H 2.037 0.000 2 853 73 74 ARG HB3 H 1.928 0.000 2 854 73 74 ARG HG2 H 1.949 0.000 2 855 73 74 ARG HG3 H 1.729 0.000 2 856 73 74 ARG HD2 H 3.281 0.000 1 857 73 74 ARG HD3 H 3.281 0.000 1 858 73 74 ARG C C 177.257 0.000 1 859 73 74 ARG CA C 57.659 0.000 1 860 73 74 ARG CB C 31.172 0.000 1 861 73 74 ARG CG C 28.129 0.000 1 862 73 74 ARG CD C 43.637 0.000 1 863 73 74 ARG N N 114.492 0.000 1 864 74 75 ASN H H 7.312 0.000 1 865 74 75 ASN HA H 5.120 0.000 1 866 74 75 ASN HB2 H 2.698 0.000 2 867 74 75 ASN HB3 H 2.458 0.000 2 868 74 75 ASN C C 174.524 0.000 1 869 74 75 ASN CA C 52.911 0.000 1 870 74 75 ASN CB C 40.084 0.000 1 871 74 75 ASN N N 114.645 0.000 1 872 75 76 LYS H H 7.274 0.000 1 873 75 76 LYS HA H 3.623 0.000 1 874 75 76 LYS HB2 H 1.770 0.000 2 875 75 76 LYS HB3 H 1.650 0.000 2 876 75 76 LYS HG2 H 1.359 0.000 2 877 75 76 LYS HG3 H 1.287 0.000 2 878 75 76 LYS HD2 H 1.669 0.000 1 879 75 76 LYS HD3 H 1.669 0.000 1 880 75 76 LYS HE2 H 3.003 0.000 1 881 75 76 LYS HE3 H 3.003 0.000 1 882 75 76 LYS C C 177.832 0.000 1 883 75 76 LYS CA C 59.688 0.000 1 884 75 76 LYS CB C 32.210 0.000 1 885 75 76 LYS CG C 24.419 0.000 1 886 75 76 LYS CD C 29.435 0.000 1 887 75 76 LYS CE C 41.939 0.000 1 888 75 76 LYS N N 119.887 0.000 1 889 76 77 GLY H H 8.612 0.000 1 890 76 77 GLY HA2 H 3.957 0.000 2 891 76 77 GLY HA3 H 3.847 0.000 2 892 76 77 GLY C C 175.376 0.000 1 893 76 77 GLY CA C 46.379 0.000 1 894 76 77 GLY N N 104.840 0.000 1 895 77 78 VAL H H 7.452 0.000 1 896 77 78 VAL HA H 4.456 0.000 1 897 77 78 VAL HB H 2.320 0.000 1 898 77 78 VAL HG1 H 0.906 0.000 2 899 77 78 VAL HG2 H 0.933 0.000 2 900 77 78 VAL C C 174.946 0.000 1 901 77 78 VAL CA C 60.925 0.000 1 902 77 78 VAL CB C 32.429 0.000 1 903 77 78 VAL CG1 C 21.033 0.000 2 904 77 78 VAL CG2 C 19.701 0.000 2 905 77 78 VAL N N 112.725 0.000 1 906 78 79 ILE H H 7.044 0.000 1 907 78 79 ILE HA H 4.074 0.000 1 908 78 79 ILE HB H 1.551 0.000 1 909 78 79 ILE HG12 H 1.661 0.000 2 910 78 79 ILE HG13 H 0.622 0.000 2 911 78 79 ILE HG2 H 0.879 0.000 1 912 78 79 ILE HD1 H 0.530 0.000 1 913 78 79 ILE C C 173.872 0.000 1 914 78 79 ILE CA C 58.729 0.000 1 915 78 79 ILE CB C 39.523 0.000 1 916 78 79 ILE CG1 C 28.120 0.000 1 917 78 79 ILE CG2 C 15.785 0.000 1 918 78 79 ILE CD1 C 14.901 0.000 1 919 78 79 ILE N N 123.607 0.000 1 920 79 80 PRO HA H 4.321 0.000 1 921 79 80 PRO HB2 H 2.351 0.000 2 922 79 80 PRO HB3 H 1.598 0.000 2 923 79 80 PRO HG2 H 1.887 0.000 2 924 79 80 PRO HG3 H 1.841 0.000 2 925 79 80 PRO HD2 H 3.814 0.000 2 926 79 80 PRO HD3 H 3.302 0.000 2 927 79 80 PRO C C 176.169 0.000 1 928 79 80 PRO CA C 63.891 0.000 1 929 79 80 PRO CB C 32.730 0.000 1 930 79 80 PRO CG C 27.719 0.000 1 931 79 80 PRO CD C 51.657 0.000 1 932 80 81 LYS H H 8.533 0.000 1 933 80 81 LYS HA H 4.353 0.000 1 934 80 81 LYS HB2 H 1.773 0.000 1 935 80 81 LYS HB3 H 1.773 0.000 1 936 80 81 LYS HG2 H 1.636 0.000 1 937 80 81 LYS HG3 H 1.636 0.000 1 938 80 81 LYS HD2 H 1.851 0.000 1 939 80 81 LYS HD3 H 1.851 0.000 1 940 80 81 LYS HE2 H 3.121 0.000 1 941 80 81 LYS HE3 H 3.121 0.000 1 942 80 81 LYS C C 176.302 0.000 1 943 80 81 LYS CA C 56.767 0.000 1 944 80 81 LYS CB C 34.212 0.000 1 945 80 81 LYS CG C 25.299 0.000 1 946 80 81 LYS CD C 29.015 0.000 1 947 80 81 LYS CE C 42.239 0.000 1 948 80 81 LYS N N 122.690 0.000 1 949 81 82 GLY H H 6.301 0.000 1 950 81 82 GLY HA2 H 3.848 0.000 2 951 81 82 GLY HA3 H 3.713 0.000 2 952 81 82 GLY C C 174.579 0.000 1 953 81 82 GLY CA C 46.370 0.000 1 954 81 82 GLY N N 106.150 0.000 1 955 82 83 PHE H H 8.615 0.000 1 956 82 83 PHE HA H 4.986 0.000 1 957 82 83 PHE HB2 H 2.785 0.000 2 958 82 83 PHE HB3 H 2.502 0.000 2 959 82 83 PHE HD1 H 6.681 0.000 1 960 82 83 PHE HD2 H 6.681 0.000 1 961 82 83 PHE HE1 H 6.298 0.000 1 962 82 83 PHE HE2 H 6.298 0.000 1 963 82 83 PHE C C 174.645 0.000 1 964 82 83 PHE CA C 57.283 0.000 1 965 82 83 PHE CB C 42.673 0.000 1 966 82 83 PHE CD1 C 130.304 0.000 1 967 82 83 PHE CD2 C 130.304 0.000 1 968 82 83 PHE CE1 C 128.913 0.000 1 969 82 83 PHE CE2 C 128.913 0.000 1 970 82 83 PHE N N 118.311 0.000 1 971 83 84 ASP H H 9.198 0.000 1 972 83 84 ASP HA H 5.444 0.000 1 973 83 84 ASP HB2 H 2.545 0.000 2 974 83 84 ASP HB3 H 2.436 0.000 2 975 83 84 ASP C C 175.245 0.000 1 976 83 84 ASP CA C 54.012 0.000 1 977 83 84 ASP CB C 41.991 0.000 1 978 83 84 ASP N N 123.549 0.000 1 979 84 85 ILE H H 8.914 0.000 1 980 84 85 ILE HA H 4.849 0.000 1 981 84 85 ILE HB H 1.746 0.000 1 982 84 85 ILE HG12 H 1.759 0.000 2 983 84 85 ILE HG13 H 0.685 0.000 2 984 84 85 ILE HG2 H 0.737 0.000 1 985 84 85 ILE HD1 H 0.827 0.000 1 986 84 85 ILE C C 174.085 0.000 1 987 84 85 ILE CA C 60.604 0.000 1 988 84 85 ILE CB C 41.691 0.000 1 989 84 85 ILE CG1 C 27.888 0.000 1 990 84 85 ILE CG2 C 18.227 0.000 1 991 84 85 ILE CD1 C 14.362 0.000 1 992 84 85 ILE N N 123.906 0.000 1 993 85 86 VAL H H 9.613 0.000 1 994 85 86 VAL HA H 4.965 0.000 1 995 85 86 VAL HB H 2.019 0.000 1 996 85 86 VAL HG1 H 0.885 0.000 2 997 85 86 VAL HG2 H 0.878 0.000 2 998 85 86 VAL C C 174.621 0.000 1 999 85 86 VAL CA C 60.035 0.000 1 1000 85 86 VAL CB C 34.069 0.000 1 1001 85 86 VAL CG1 C 23.096 0.000 2 1002 85 86 VAL CG2 C 22.196 0.000 2 1003 85 86 VAL N N 126.021 0.000 1 1004 86 87 VAL H H 8.513 0.000 1 1005 86 87 VAL HA H 4.555 0.000 1 1006 86 87 VAL HB H 1.860 0.000 1 1007 86 87 VAL HG1 H 0.766 0.000 2 1008 86 87 VAL HG2 H 0.825 0.000 2 1009 86 87 VAL C C 174.401 0.000 1 1010 86 87 VAL CA C 61.962 0.000 1 1011 86 87 VAL CB C 33.994 0.000 1 1012 86 87 VAL CG1 C 23.063 0.000 2 1013 86 87 VAL CG2 C 22.098 0.000 2 1014 86 87 VAL N N 126.736 0.000 1 1015 87 88 ILE H H 9.308 0.000 1 1016 87 88 ILE HA H 5.486 0.000 1 1017 87 88 ILE HB H 2.171 0.000 1 1018 87 88 ILE HG12 H 1.680 0.000 2 1019 87 88 ILE HG13 H 1.148 0.000 2 1020 87 88 ILE HG2 H 1.249 0.000 1 1021 87 88 ILE HD1 H 1.003 0.000 1 1022 87 88 ILE C C 175.096 0.000 1 1023 87 88 ILE CA C 57.916 0.000 1 1024 87 88 ILE CB C 41.975 0.000 1 1025 87 88 ILE CG1 C 27.798 0.000 1 1026 87 88 ILE CG2 C 16.835 0.000 1 1027 87 88 ILE CD1 C 14.451 0.000 1 1028 87 88 ILE N N 127.541 0.000 1 1029 88 89 PRO HA H 4.974 0.000 1 1030 88 89 PRO HB2 H 1.971 0.000 2 1031 88 89 PRO HB3 H 1.909 0.000 2 1032 88 89 PRO HG2 H 2.009 0.000 2 1033 88 89 PRO HG3 H 1.348 0.000 2 1034 88 89 PRO HD2 H 3.428 0.000 1 1035 88 89 PRO HD3 H 3.428 0.000 1 1036 88 89 PRO CA C 62.113 0.000 1 1037 88 89 PRO CB C 33.441 0.000 1 1038 88 89 PRO CG C 27.594 0.000 1 1039 88 89 PRO CD C 50.478 0.000 1 1040 89 90 ARG H H 8.030 0.000 1 1041 89 90 ARG HA H 4.708 0.000 1 1042 89 90 ARG HB2 H 2.468 0.000 1 1043 89 90 ARG HB3 H 2.468 0.000 1 1044 89 90 ARG HG2 H 1.631 0.000 1 1045 89 90 ARG HG3 H 1.631 0.000 1 1046 89 90 ARG C C 177.506 0.000 1 1047 89 90 ARG CA C 55.648 0.000 1 1048 89 90 ARG CB C 32.963 0.000 1 1049 89 90 ARG CG C 27.986 0.000 1 1050 89 90 ARG N N 119.680 0.000 1 1051 90 91 LYS HA H 3.982 0.000 1 1052 90 91 LYS HB2 H 2.011 0.000 2 1053 90 91 LYS HB3 H 1.865 0.000 2 1054 90 91 LYS HG2 H 1.475 0.000 2 1055 90 91 LYS HG3 H 1.427 0.000 2 1056 90 91 LYS HD2 H 1.696 0.000 1 1057 90 91 LYS HD3 H 1.696 0.000 1 1058 90 91 LYS HE2 H 3.007 0.000 1 1059 90 91 LYS HE3 H 3.007 0.000 1 1060 90 91 LYS C C 178.682 0.000 1 1061 90 91 LYS CA C 59.767 0.000 1 1062 90 91 LYS CB C 32.299 0.000 1 1063 90 91 LYS CG C 24.425 0.000 1 1064 90 91 LYS CD C 29.408 0.000 1 1065 90 91 LYS CE C 42.112 0.000 1 1066 91 92 LYS H H 8.659 0.000 1 1067 91 92 LYS HA H 4.111 0.000 1 1068 91 92 LYS HB2 H 1.955 0.000 1 1069 91 92 LYS HB3 H 1.955 0.000 1 1070 91 92 LYS HG2 H 1.518 0.000 2 1071 91 92 LYS HG3 H 1.402 0.000 2 1072 91 92 LYS HD2 H 1.730 0.000 1 1073 91 92 LYS HD3 H 1.730 0.000 1 1074 91 92 LYS HE2 H 2.971 0.000 1 1075 91 92 LYS HE3 H 2.971 0.000 1 1076 91 92 LYS C C 178.463 0.000 1 1077 91 92 LYS CA C 59.296 0.000 1 1078 91 92 LYS CB C 32.584 0.000 1 1079 91 92 LYS CG C 24.980 0.000 1 1080 91 92 LYS CD C 29.178 0.000 1 1081 91 92 LYS CE C 42.018 0.000 1 1082 91 92 LYS N N 118.693 0.000 1 1083 92 93 LEU H H 7.026 0.000 1 1084 92 93 LEU HA H 3.873 0.000 1 1085 92 93 LEU HB2 H 2.086 0.000 2 1086 92 93 LEU HB3 H 1.202 0.000 2 1087 92 93 LEU HG H 1.652 0.000 1 1088 92 93 LEU HD1 H 0.625 0.000 2 1089 92 93 LEU HD2 H 0.467 0.000 2 1090 92 93 LEU C C 177.496 0.000 1 1091 92 93 LEU CA C 57.082 0.000 1 1092 92 93 LEU CB C 40.563 0.000 1 1093 92 93 LEU CG C 27.538 0.000 1 1094 92 93 LEU CD1 C 27.285 0.000 2 1095 92 93 LEU CD2 C 22.324 0.000 2 1096 92 93 LEU N N 114.645 0.000 1 1097 93 94 SER H H 7.166 0.000 1 1098 93 94 SER HA H 3.267 0.000 1 1099 93 94 SER HB2 H 3.897 0.000 2 1100 93 94 SER HB3 H 3.391 0.000 2 1101 93 94 SER C C 177.780 0.000 1 1102 93 94 SER CA C 60.858 0.000 1 1103 93 94 SER CB C 62.570 0.000 1 1104 93 94 SER N N 111.755 0.000 1 1105 94 95 GLU H H 8.164 0.000 1 1106 94 95 GLU HA H 4.074 0.000 1 1107 94 95 GLU HB2 H 2.245 0.000 2 1108 94 95 GLU HB3 H 2.117 0.000 2 1109 94 95 GLU HG2 H 2.422 0.000 2 1110 94 95 GLU HG3 H 2.268 0.000 2 1111 94 95 GLU C C 178.653 0.000 1 1112 94 95 GLU CA C 58.849 0.000 1 1113 94 95 GLU CB C 30.055 0.000 1 1114 94 95 GLU CG C 36.729 0.000 1 1115 94 95 GLU N N 118.395 0.000 1 1116 95 96 GLU H H 7.598 0.000 1 1117 95 96 GLU HA H 4.514 0.000 1 1118 95 96 GLU HB2 H 2.371 0.000 2 1119 95 96 GLU HB3 H 1.872 0.000 2 1120 95 96 GLU HG2 H 2.568 0.000 2 1121 95 96 GLU HG3 H 2.318 0.000 2 1122 95 96 GLU C C 177.613 0.000 1 1123 95 96 GLU CA C 55.917 0.000 1 1124 95 96 GLU CB C 30.199 0.000 1 1125 95 96 GLU CG C 36.558 0.000 1 1126 95 96 GLU N N 115.476 0.000 1 1127 96 97 PHE H H 7.528 0.000 1 1128 96 97 PHE HA H 4.058 0.000 1 1129 96 97 PHE HB2 H 3.666 0.000 2 1130 96 97 PHE HB3 H 2.724 0.000 2 1131 96 97 PHE HD1 H 6.648 0.000 1 1132 96 97 PHE HD2 H 6.648 0.000 1 1133 96 97 PHE C C 176.320 0.000 1 1134 96 97 PHE CA C 62.425 0.000 1 1135 96 97 PHE CB C 39.753 0.000 1 1136 96 97 PHE CD1 C 130.197 0.000 1 1137 96 97 PHE CD2 C 130.197 0.000 1 1138 96 97 PHE N N 121.042 0.000 1 1139 97 98 GLU H H 8.488 0.000 1 1140 97 98 GLU HA H 4.123 0.000 1 1141 97 98 GLU HB2 H 2.167 0.000 2 1142 97 98 GLU HB3 H 1.999 0.000 2 1143 97 98 GLU HG2 H 2.367 0.000 1 1144 97 98 GLU HG3 H 2.367 0.000 1 1145 97 98 GLU C C 177.072 0.000 1 1146 97 98 GLU CA C 58.253 0.000 1 1147 97 98 GLU CB C 29.170 0.000 1 1148 97 98 GLU CG C 37.016 0.000 1 1149 97 98 GLU N N 112.863 0.000 1 1150 98 99 ARG H H 8.145 0.000 1 1151 98 99 ARG HA H 4.590 0.000 1 1152 98 99 ARG HB2 H 1.992 0.000 2 1153 98 99 ARG HB3 H 1.910 0.000 2 1154 98 99 ARG HG2 H 1.671 0.000 2 1155 98 99 ARG HG3 H 1.632 0.000 2 1156 98 99 ARG HD2 H 3.245 0.000 1 1157 98 99 ARG HD3 H 3.245 0.000 1 1158 98 99 ARG C C 176.211 0.000 1 1159 98 99 ARG CA C 55.504 0.000 1 1160 98 99 ARG CB C 31.385 0.000 1 1161 98 99 ARG CG C 27.257 0.000 1 1162 98 99 ARG CD C 43.677 0.000 1 1163 98 99 ARG N N 116.045 0.000 1 1164 99 100 VAL H H 7.319 0.000 1 1165 99 100 VAL HA H 4.521 0.000 1 1166 99 100 VAL HB H 2.092 0.000 1 1167 99 100 VAL HG1 H 0.961 0.000 2 1168 99 100 VAL HG2 H 0.964 0.000 2 1169 99 100 VAL C C 173.444 0.000 1 1170 99 100 VAL CA C 61.071 0.000 1 1171 99 100 VAL CB C 33.486 0.000 1 1172 99 100 VAL CG1 C 21.301 0.000 2 1173 99 100 VAL CG2 C 20.207 0.000 2 1174 99 100 VAL N N 117.324 0.000 1 1175 100 101 ASP H H 7.770 0.000 1 1176 100 101 ASP HA H 4.920 0.000 1 1177 100 101 ASP HB2 H 3.050 0.000 2 1178 100 101 ASP HB3 H 2.832 0.000 2 1179 100 101 ASP C C 175.635 0.000 1 1180 100 101 ASP CA C 51.789 0.000 1 1181 100 101 ASP CB C 43.321 0.000 1 1182 100 101 ASP N N 120.420 0.000 1 1183 101 102 PHE H H 8.411 0.000 1 1184 101 102 PHE HA H 2.685 0.000 1 1185 101 102 PHE HB2 H 2.007 0.000 2 1186 101 102 PHE HB3 H 1.909 0.000 2 1187 101 102 PHE HD1 H 7.406 0.000 1 1188 101 102 PHE HD2 H 7.406 0.000 1 1189 101 102 PHE HE1 H 7.161 0.000 1 1190 101 102 PHE HE2 H 7.161 0.000 1 1191 101 102 PHE C C 175.703 0.000 1 1192 101 102 PHE CA C 60.926 0.000 1 1193 101 102 PHE CB C 39.278 0.000 1 1194 101 102 PHE CD1 C 128.236 0.000 1 1195 101 102 PHE CD2 C 128.236 0.000 1 1196 101 102 PHE CE1 C 130.698 0.000 1 1197 101 102 PHE CE2 C 130.698 0.000 1 1198 101 102 PHE N N 121.197 0.000 1 1199 102 103 TRP H H 7.433 0.000 1 1200 102 103 TRP HA H 3.821 0.000 1 1201 102 103 TRP HB2 H 3.391 0.000 2 1202 102 103 TRP HB3 H 3.308 0.000 2 1203 102 103 TRP HD1 H 7.378 0.000 1 1204 102 103 TRP HE1 H 10.159 0.000 1 1205 102 103 TRP HZ2 H 7.506 0.000 1 1206 102 103 TRP C C 178.706 0.000 1 1207 102 103 TRP CA C 59.898 0.000 1 1208 102 103 TRP CB C 28.350 0.000 1 1209 102 103 TRP CD1 C 127.235 0.000 1 1210 102 103 TRP CZ2 C 114.800 0.000 1 1211 102 103 TRP N N 117.029 0.000 1 1212 102 103 TRP NE1 N 129.296 0.000 1 1213 103 104 THR H H 8.100 0.000 1 1214 103 104 THR HA H 4.039 0.000 1 1215 103 104 THR HB H 4.328 0.000 1 1216 103 104 THR HG2 H 1.319 0.000 1 1217 103 104 THR C C 176.129 0.000 1 1218 103 104 THR CA C 66.894 0.000 1 1219 103 104 THR CB C 68.538 0.000 1 1220 103 104 THR CG2 C 21.183 0.000 1 1221 103 104 THR N N 118.221 0.000 1 1222 104 105 VAL H H 7.452 0.000 1 1223 104 105 VAL HA H 3.459 0.000 1 1224 104 105 VAL HB H 2.009 0.000 1 1225 104 105 VAL HG1 H 1.183 0.000 2 1226 104 105 VAL HG2 H 1.106 0.000 2 1227 104 105 VAL C C 176.419 0.000 1 1228 104 105 VAL CA C 68.194 0.000 1 1229 104 105 VAL CB C 30.995 0.000 1 1230 104 105 VAL CG1 C 24.742 0.000 2 1231 104 105 VAL CG2 C 21.359 0.000 2 1232 104 105 VAL N N 121.641 0.000 1 1233 105 106 ARG H H 8.412 0.000 1 1234 105 106 ARG HA H 3.512 0.000 1 1235 105 106 ARG HB2 H 1.512 0.000 2 1236 105 106 ARG HB3 H 0.721 0.000 2 1237 105 106 ARG HG2 H 1.296 0.000 1 1238 105 106 ARG HG3 H 1.296 0.000 1 1239 105 106 ARG HD2 H 2.884 0.000 1 1240 105 106 ARG HD3 H 2.884 0.000 1 1241 105 106 ARG C C 177.000 0.000 1 1242 105 106 ARG CA C 59.842 0.000 1 1243 105 106 ARG CB C 29.244 0.000 1 1244 105 106 ARG CG C 26.853 0.000 1 1245 105 106 ARG CD C 43.808 0.000 1 1246 105 106 ARG N N 118.787 0.000 1 1247 106 107 GLU H H 7.852 0.000 1 1248 106 107 GLU HA H 3.855 0.000 1 1249 106 107 GLU HB2 H 2.105 0.000 1 1250 106 107 GLU HB3 H 2.105 0.000 1 1251 106 107 GLU HG2 H 2.219 0.000 2 1252 106 107 GLU HG3 H 2.117 0.000 2 1253 106 107 GLU C C 178.934 0.000 1 1254 106 107 GLU CA C 59.542 0.000 1 1255 106 107 GLU CB C 29.697 0.000 1 1256 106 107 GLU CG C 35.867 0.000 1 1257 106 107 GLU N N 118.968 0.000 1 1258 107 108 LYS H H 7.986 0.000 1 1259 107 108 LYS HA H 4.145 0.000 1 1260 107 108 LYS HB2 H 2.275 0.000 1 1261 107 108 LYS HB3 H 2.275 0.000 1 1262 107 108 LYS HG2 H 1.668 0.000 2 1263 107 108 LYS HG3 H 1.360 0.000 2 1264 107 108 LYS HD2 H 1.667 0.000 2 1265 107 108 LYS HD3 H 1.378 0.000 2 1266 107 108 LYS HE2 H 2.754 0.000 2 1267 107 108 LYS HE3 H 2.692 0.000 2 1268 107 108 LYS C C 178.600 0.000 1 1269 107 108 LYS CA C 57.853 0.000 1 1270 107 108 LYS CB C 32.265 0.000 1 1271 107 108 LYS CG C 25.484 0.000 1 1272 107 108 LYS CD C 28.181 0.000 1 1273 107 108 LYS CE C 42.182 0.000 1 1274 107 108 LYS N N 115.645 0.000 1 1275 108 109 LEU H H 8.430 0.000 1 1276 108 109 LEU HA H 4.136 0.000 1 1277 108 109 LEU HB2 H 1.645 0.000 2 1278 108 109 LEU HB3 H 1.066 0.000 2 1279 108 109 LEU HG H 1.170 0.000 1 1280 108 109 LEU HD1 H 0.579 0.000 2 1281 108 109 LEU HD2 H 0.122 0.000 2 1282 108 109 LEU C C 179.265 0.000 1 1283 108 109 LEU CA C 56.916 0.000 1 1284 108 109 LEU CB C 41.371 0.000 1 1285 108 109 LEU CG C 27.067 0.000 1 1286 108 109 LEU CD1 C 26.910 0.000 2 1287 108 109 LEU CD2 C 22.042 0.000 2 1288 108 109 LEU N N 118.191 0.000 1 1289 109 110 LEU H H 8.914 0.000 1 1290 109 110 LEU HA H 3.755 0.000 1 1291 109 110 LEU HB2 H 1.779 0.000 2 1292 109 110 LEU HB3 H 1.334 0.000 2 1293 109 110 LEU HG H 1.606 0.000 1 1294 109 110 LEU HD1 H 0.669 0.000 2 1295 109 110 LEU HD2 H 0.595 0.000 2 1296 109 110 LEU C C 178.254 0.000 1 1297 109 110 LEU CA C 58.223 0.000 1 1298 109 110 LEU CB C 41.067 0.000 1 1299 109 110 LEU CG C 26.921 0.000 1 1300 109 110 LEU CD1 C 24.710 0.000 2 1301 109 110 LEU CD2 C 22.753 0.000 2 1302 109 110 LEU N N 119.619 0.000 1 1303 110 111 ASN H H 7.953 0.000 1 1304 110 111 ASN HA H 4.269 0.000 1 1305 110 111 ASN HB2 H 2.975 0.000 2 1306 110 111 ASN HB3 H 2.699 0.000 2 1307 110 111 ASN HD21 H 7.618 0.000 1 1308 110 111 ASN HD22 H 6.988 0.000 1 1309 110 111 ASN C C 177.053 0.000 1 1310 110 111 ASN CA C 56.100 0.000 1 1311 110 111 ASN CB C 38.793 0.000 1 1312 110 111 ASN N N 114.939 0.000 1 1313 110 111 ASN ND2 N 111.909 0.000 1 1314 111 112 LEU H H 6.849 0.000 1 1315 111 112 LEU HA H 4.168 0.000 1 1316 111 112 LEU HB2 H 1.901 0.000 2 1317 111 112 LEU HB3 H 1.309 0.000 2 1318 111 112 LEU HG H 0.887 0.000 1 1319 111 112 LEU HD1 H 0.752 0.000 1 1320 111 112 LEU HD2 H 0.752 0.000 1 1321 111 112 LEU C C 178.213 0.000 1 1322 111 112 LEU CA C 56.630 0.000 1 1323 111 112 LEU CB C 42.610 0.000 1 1324 111 112 LEU CG C 26.954 0.000 1 1325 111 112 LEU CD1 C 23.536 0.000 2 1326 111 112 LEU CD2 C 23.406 0.000 2 1327 111 112 LEU N N 115.300 0.000 1 1328 112 113 LEU H H 8.030 0.000 1 1329 112 113 LEU HA H 3.691 0.000 1 1330 112 113 LEU HB2 H 1.692 0.000 2 1331 112 113 LEU HB3 H 1.270 0.000 2 1332 112 113 LEU HG H 1.822 0.000 1 1333 112 113 LEU HD1 H 0.690 0.000 1 1334 112 113 LEU HD2 H 0.690 0.000 1 1335 112 113 LEU C C 178.030 0.000 1 1336 112 113 LEU CA C 57.417 0.000 1 1337 112 113 LEU CB C 41.505 0.000 1 1338 112 113 LEU CG C 25.971 0.000 1 1339 112 113 LEU CD1 C 25.760 0.000 2 1340 112 113 LEU CD2 C 23.545 0.000 2 1341 112 113 LEU N N 115.275 0.000 1 1342 113 114 LYS H H 7.922 0.000 1 1343 113 114 LYS HA H 3.963 0.000 1 1344 113 114 LYS HB2 H 1.849 0.000 2 1345 113 114 LYS HB3 H 1.723 0.000 2 1346 113 114 LYS HG2 H 1.523 0.000 2 1347 113 114 LYS HG3 H 1.471 0.000 2 1348 113 114 LYS HD2 H 1.623 0.000 1 1349 113 114 LYS HD3 H 1.623 0.000 1 1350 113 114 LYS HE2 H 2.860 0.000 1 1351 113 114 LYS HE3 H 2.860 0.000 1 1352 113 114 LYS C C 177.373 0.000 1 1353 113 114 LYS CA C 58.541 0.000 1 1354 113 114 LYS CB C 32.566 0.000 1 1355 113 114 LYS CG C 25.604 0.000 1 1356 113 114 LYS CD C 29.460 0.000 1 1357 113 114 LYS CE C 41.798 0.000 1 1358 113 114 LYS N N 112.042 0.000 1 1359 114 115 ARG H H 7.286 0.000 1 1360 114 115 ARG HA H 4.234 0.000 1 1361 114 115 ARG HB2 H 2.033 0.000 2 1362 114 115 ARG HB3 H 1.777 0.000 2 1363 114 115 ARG HG2 H 1.634 0.000 1 1364 114 115 ARG HG3 H 1.634 0.000 1 1365 114 115 ARG HD2 H 3.244 0.000 1 1366 114 115 ARG HD3 H 3.244 0.000 1 1367 114 115 ARG C C 176.001 0.000 1 1368 114 115 ARG CA C 55.576 0.000 1 1369 114 115 ARG CB C 30.862 0.000 1 1370 114 115 ARG CG C 27.461 0.000 1 1371 114 115 ARG CD C 44.065 0.000 1 1372 114 115 ARG N N 116.492 0.000 1 1373 115 116 ILE H H 6.588 0.000 1 1374 115 116 ILE HA H 2.686 0.000 1 1375 115 116 ILE HB H 0.747 0.000 1 1376 115 116 ILE HG12 H 0.902 0.000 2 1377 115 116 ILE HG13 H -0.365 0.000 2 1378 115 116 ILE HG2 H -0.792 0.000 1 1379 115 116 ILE HD1 H 0.193 0.000 1 1380 115 116 ILE C C 174.105 0.000 1 1381 115 116 ILE CA C 64.068 0.000 1 1382 115 116 ILE CB C 37.035 0.000 1 1383 115 116 ILE CG1 C 26.675 0.000 1 1384 115 116 ILE CG2 C 14.574 0.000 1 1385 115 116 ILE CD1 C 14.397 0.000 1 1386 115 116 ILE N N 119.829 0.000 1 1387 116 117 GLU H H 6.892 0.000 1 1388 116 117 GLU HA H 4.362 0.000 1 1389 116 117 GLU HB2 H 2.051 0.000 2 1390 116 117 GLU HB3 H 1.925 0.000 2 1391 116 117 GLU HG2 H 2.240 0.000 1 1392 116 117 GLU HG3 H 2.240 0.000 1 1393 116 117 GLU C C 174.843 0.000 1 1394 116 117 GLU CA C 55.582 0.000 1 1395 116 117 GLU CB C 32.034 0.000 1 1396 116 117 GLU CG C 35.997 0.000 1 1397 116 117 GLU N N 122.095 0.000 1 1398 117 118 GLY H H 8.081 0.000 1 1399 117 118 GLY HA2 H 3.956 0.000 1 1400 117 118 GLY HA3 H 3.956 0.000 1 1401 117 118 GLY C C 178.363 0.000 1 1402 117 118 GLY CA C 46.521 0.000 1 1403 117 118 GLY N N 115.627 0.000 1 stop_ save_