data_30295 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of BlsM ; _BMRB_accession_number 30295 _BMRB_flat_file_name bmr30295.str _Entry_type original _Submission_date 2017-05-17 _Accession_date 2017-05-17 _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 Kang M. . . 2 Doddapaneni K. . . 3 Heppner Z. . . 4 Wu Z. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 715 "13C chemical shifts" 621 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-17 original BMRB . stop_ _Original_release_date 2018-04-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the NUCLEOTIDE hydrolase BlsM: Implication of its Substrate Specificity ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang M. . . 2 Doddapaneni K. . . 3 Heppner Z. . . 4 Wu Z. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Blasticidin M' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17857.422 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; KAGVRSVFLAGPFMGLVNPE TNSMPSAEQLPFLTLIEHFE KQGLEVFNAHRREAWGAQVL TPEECTPLDQLEIRKADVFV AIPGIPPSPGTHVEIGWASA FDKPIVLLLEEGREEEYGFL VRGLGTVAAVEFVHYKDIAL AKPQIDAAIRKVVDRVNNPA ATP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 LYS 2 13 ALA 3 14 GLY 4 15 VAL 5 16 ARG 6 17 SER 7 18 VAL 8 19 PHE 9 20 LEU 10 21 ALA 11 22 GLY 12 23 PRO 13 24 PHE 14 25 MET 15 26 GLY 16 27 LEU 17 28 VAL 18 29 ASN 19 30 PRO 20 31 GLU 21 32 THR 22 33 ASN 23 34 SER 24 35 MET 25 36 PRO 26 37 SER 27 38 ALA 28 39 GLU 29 40 GLN 30 41 LEU 31 42 PRO 32 43 PHE 33 44 LEU 34 45 THR 35 46 LEU 36 47 ILE 37 48 GLU 38 49 HIS 39 50 PHE 40 51 GLU 41 52 LYS 42 53 GLN 43 54 GLY 44 55 LEU 45 56 GLU 46 57 VAL 47 58 PHE 48 59 ASN 49 60 ALA 50 61 HIS 51 62 ARG 52 63 ARG 53 64 GLU 54 65 ALA 55 66 TRP 56 67 GLY 57 68 ALA 58 69 GLN 59 70 VAL 60 71 LEU 61 72 THR 62 73 PRO 63 74 GLU 64 75 GLU 65 76 CYS 66 77 THR 67 78 PRO 68 79 LEU 69 80 ASP 70 81 GLN 71 82 LEU 72 83 GLU 73 84 ILE 74 85 ARG 75 86 LYS 76 87 ALA 77 88 ASP 78 89 VAL 79 90 PHE 80 91 VAL 81 92 ALA 82 93 ILE 83 94 PRO 84 95 GLY 85 96 ILE 86 97 PRO 87 98 PRO 88 99 SER 89 100 PRO 90 101 GLY 91 102 THR 92 103 HIS 93 104 VAL 94 105 GLU 95 106 ILE 96 107 GLY 97 108 TRP 98 109 ALA 99 110 SER 100 111 ALA 101 112 PHE 102 113 ASP 103 114 LYS 104 115 PRO 105 116 ILE 106 117 VAL 107 118 LEU 108 119 LEU 109 120 LEU 110 121 GLU 111 122 GLU 112 123 GLY 113 124 ARG 114 125 GLU 115 126 GLU 116 127 GLU 117 128 TYR 118 129 GLY 119 130 PHE 120 131 LEU 121 132 VAL 122 133 ARG 123 134 GLY 124 135 LEU 125 136 GLY 126 137 THR 127 138 VAL 128 139 ALA 129 140 ALA 130 141 VAL 131 142 GLU 132 143 PHE 133 144 VAL 134 145 HIS 135 146 TYR 136 147 LYS 137 148 ASP 138 149 ILE 139 150 ALA 140 151 LEU 141 152 ALA 142 153 LYS 143 154 PRO 144 155 GLN 145 156 ILE 146 157 ASP 147 158 ALA 148 159 ALA 149 160 ILE 150 161 ARG 151 162 LYS 152 163 VAL 153 164 VAL 154 165 ASP 155 166 ARG 156 167 VAL 157 168 ASN 158 169 ASN 159 170 PRO 160 171 ALA 161 172 ALA 162 173 THR 163 174 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 $entity_1 'Streptomyces griseochromogenes' 68214 Bacteria . Streptomyces griseochromogenes AVL59_19940 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 25 mM sodium phosphate, 2 mM DTT, 25 mM sodium chloride, 2 mM beta-mercaptoethanol, 0.02 % sodium azide, 0.8 mM [U-15N] Blasticidin M, 92% H2O/8% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $entity_1 0.8 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.02 % sodium azide, 0.8 mM [U-13C; U-15N] Blasticidin M, 92% H2O/8% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium azide' 0.02 % 'natural abundance' $entity_1 0.8 mM '[U-13C; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-100% 13C; U-100% 15N; U-95% 2H] Blasticidin M, 92% H2O/8% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-100% 13C; U-100% 15N; U-95% 2H]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-10% 13C; U-100% 15N] Blasticidin M, 92% H2O/8% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-10% 13C; U-100% 15N]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '1.25 mM [U-15N] Blasticidin M, 1.25 mM [U-13C; U-15N] Blasticidin M, 92% H2O/8% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.25 mM [U-15N] $entity_1 1.25 mM '[U-13C; U-15N]' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-15N] Blasticidin M, 92% H2O/8% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_15N_NOESY-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-TROSY' _Sample_label $sample_1 save_ save_3D_HMQC-NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMQC-NOESY-HSQC' _Sample_label $sample_2 save_ save_3D_15N/13C-filtered_13C-edited_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-filtered 13C-edited NOESY' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 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' 178 1 mM pH 6.50 0.05 pH pressure 1 0.01 atm temperature 308 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HN(COCA)CB' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D 15N NOESY-TROSY' '3D HMQC-NOESY-HSQC' '3D 15N/13C-filtered 13C-edited NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_4 $sample_1 $sample_5 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _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 12 1 LYS H H 7.9947 0 1 2 12 1 LYS CA C 55.708 0 1 3 12 1 LYS CB C 31.704 0 1 4 12 1 LYS N N 121.3122 0 1 5 13 2 ALA H H 8.125 0 1 6 13 2 ALA HA H 4.587 0 1 7 13 2 ALA HB H 1.2977 0 1 8 13 2 ALA CA C 52.251 0 1 9 13 2 ALA CB C 18.6867 0 1 10 13 2 ALA N N 124.3694 0 1 11 14 3 GLY H H 8.113 0 1 12 14 3 GLY HA2 H 3.797 0 2 13 14 3 GLY HA3 H 4.181 0 2 14 14 3 GLY CA C 44.655 0 1 15 14 3 GLY N N 107.6743 0 1 16 15 4 VAL H H 7.7565 0 1 17 15 4 VAL HA H 3.949 0 1 18 15 4 VAL HB H 1.915 0 1 19 15 4 VAL HG1 H 0.7666 0 2 20 15 4 VAL HG2 H 0.7698 0 2 21 15 4 VAL C C 174.99 0 1 22 15 4 VAL CA C 62.027 0 1 23 15 4 VAL CB C 32.083 0 1 24 15 4 VAL CG1 C 21.3226 0 2 25 15 4 VAL CG2 C 20.7328 0 2 26 15 4 VAL N N 119.0842 0 1 27 16 5 ARG H H 9.4421 0 1 28 16 5 ARG HA H 4.487 0 1 29 16 5 ARG HB3 H 1.564 0 2 30 16 5 ARG HD2 H 3.108 0 2 31 16 5 ARG C C 176.338 0 1 32 16 5 ARG CA C 56.006 0 1 33 16 5 ARG CB C 32.23 0 1 34 16 5 ARG CG C 26.8867 0 1 35 16 5 ARG CD C 43.05 0 1 36 16 5 ARG N N 123.8446 0 1 37 17 6 SER H H 8.0919 0 1 38 17 6 SER HA H 5.357 0 1 39 17 6 SER HB3 H 3.764 0 2 40 17 6 SER C C 172.172 0 1 41 17 6 SER CA C 55.689 0 1 42 17 6 SER CB C 66.237 0 1 43 17 6 SER N N 114.4413 0 1 44 18 7 VAL H H 8.5458 0 1 45 18 7 VAL HA H 4.733 0 1 46 18 7 VAL HB H 1.314 0 1 47 18 7 VAL HG1 H 0.2268 0 2 48 18 7 VAL HG2 H 0.1048 0 2 49 18 7 VAL C C 173.62 0 1 50 18 7 VAL CA C 58.483 0 1 51 18 7 VAL CB C 35.231 0 1 52 18 7 VAL CG1 C 20.4426 0 2 53 18 7 VAL CG2 C 21.0342 0 2 54 18 7 VAL N N 117.3385 0 1 55 19 8 PHE H H 8.6086 0 1 56 19 8 PHE HA H 5.22 0 1 57 19 8 PHE CA C 56.584 0 1 58 19 8 PHE CB C 40.453 0 1 59 19 8 PHE N N 127.8627 0 1 60 20 9 LEU HA H 5.086 0 1 61 20 9 LEU HB2 H 0.7 0 2 62 20 9 LEU HB3 H 1.512 0 2 63 20 9 LEU HD1 H 0.75 0 2 64 20 9 LEU HD2 H 0.6312 0 2 65 20 9 LEU C C 172.57 0 1 66 20 9 LEU CA C 52.425 0 1 67 20 9 LEU CB C 43.676 0 1 68 20 9 LEU CD1 C 23.5932 0 2 69 20 9 LEU CD2 C 27.22 0 2 70 21 10 ALA H H 9.1214 0 1 71 21 10 ALA HA H 4.739 0 1 72 21 10 ALA HB H 1.4488 0 1 73 21 10 ALA C C 175.944 0 1 74 21 10 ALA CA C 49.66 0 1 75 21 10 ALA CB C 23.8306 0 1 76 21 10 ALA N N 131.2943 0 1 77 22 11 GLY H H 8.2524 0 1 78 22 11 GLY HA2 H 3.81 0 2 79 22 11 GLY CA C 45.838 0 1 80 22 11 GLY N N 110.2899 0 1 81 23 12 PRO CD C 50.3684 0 1 82 24 13 PHE HA H 4.48 0 1 83 24 13 PHE CA C 55.779 0 1 84 25 14 MET HA H 4.34 0 1 85 25 14 MET HB2 H 1.88 0 2 86 25 14 MET HB3 H 1.85 0 2 87 25 14 MET HG2 H 2.14 0 2 88 25 14 MET HE H 1.88 0 1 89 25 14 MET C C 176.335 0 1 90 25 14 MET CA C 54.705 0 1 91 25 14 MET CB C 32.1039 0 1 92 25 14 MET CG C 32.8 0 1 93 25 14 MET CE C 16.78 0 1 94 26 15 GLY H H 7.5804 0 1 95 26 15 GLY HA2 H 3.78 0 2 96 26 15 GLY HA3 H 3.69 0 2 97 26 15 GLY C C 173.56 0 1 98 26 15 GLY CA C 45.009 0 1 99 26 15 GLY N N 108.9899 0 1 100 27 16 LEU H H 7.8762 0 1 101 27 16 LEU HA H 4.251 0 1 102 27 16 LEU HB2 H 1.459 0 2 103 27 16 LEU HB3 H 1.541 0 2 104 27 16 LEU HG H 1.47 0 1 105 27 16 LEU HD1 H 0.7936 0 2 106 27 16 LEU HD2 H 0.7548 0 2 107 27 16 LEU C C 176.984 0 1 108 27 16 LEU CA C 55.029 0 1 109 27 16 LEU CB C 42.54 0 1 110 27 16 LEU CG C 27.24 0 1 111 27 16 LEU CD1 C 25.3161 0 2 112 27 16 LEU CD2 C 23.7 0 2 113 27 16 LEU N N 120.95 0 1 114 28 17 VAL H H 7.8204 0 1 115 28 17 VAL HA H 3.973 0 1 116 28 17 VAL HB H 1.911 0 1 117 28 17 VAL HG1 H 0.75 0 2 118 28 17 VAL HG2 H 0.749 0 2 119 28 17 VAL C C 175.211 0 1 120 28 17 VAL CA C 61.951 0 1 121 28 17 VAL CB C 32.027 0 1 122 28 17 VAL CG1 C 21.45 0 2 123 28 17 VAL CG2 C 22.1 0 2 124 28 17 VAL N N 119.5989 0 1 125 29 18 ASN H H 8.2641 0 1 126 29 18 ASN HA H 4.872 0 1 127 29 18 ASN HB2 H 2.595 0 2 128 29 18 ASN HB3 H 2.831 0 2 129 29 18 ASN C C 173.596 0 1 130 29 18 ASN CA C 50.748 0 1 131 29 18 ASN CB C 38.551 0 1 132 29 18 ASN N N 122.5079 0 1 133 30 19 PRO HA H 4.318 0 1 134 30 19 PRO HB2 H 2.17 0 2 135 30 19 PRO HG2 H 1.909 0 2 136 30 19 PRO HD2 H 3.68 0 2 137 30 19 PRO C C 177.185 0 1 138 30 19 PRO CA C 63.58 0 1 139 30 19 PRO CB C 31.029 0 1 140 30 19 PRO CG C 27.2937 0 1 141 30 19 PRO CD C 50.8547 0 1 142 31 20 GLU H H 7.9505 0 1 143 31 20 GLU HA H 4.154 0 1 144 31 20 GLU HB2 H 1.893 0 2 145 31 20 GLU HB3 H 1.978 0 2 146 31 20 GLU HG2 H 2.144 0 2 147 31 20 GLU HG3 H 2.198 0 2 148 31 20 GLU C C 177.076 0 1 149 31 20 GLU CA C 56.942 0 1 150 31 20 GLU CB C 28.992 0 1 151 31 20 GLU CG C 36.63 0 1 152 31 20 GLU N N 119.6879 0 1 153 32 21 THR H H 7.7117 0 1 154 32 21 THR HA H 4.216 0 1 155 32 21 THR HG2 H 1.0854 0 1 156 32 21 THR C C 174.594 0 1 157 32 21 THR CA C 61.652 0 1 158 32 21 THR CB C 69.263 0 1 159 32 21 THR CG2 C 21.1693 0 1 160 32 21 THR N N 112.6311 0 1 161 33 22 ASN H H 8.2339 0 1 162 33 22 ASN HA H 4.567 0 1 163 33 22 ASN HB2 H 2.707 0 2 164 33 22 ASN HB3 H 2.805 0 2 165 33 22 ASN C C 174.705 0 1 166 33 22 ASN CA C 53.458 0 1 167 33 22 ASN CB C 38.213 0 1 168 33 22 ASN N N 120.251 0 1 169 34 23 SER H H 7.9388 0 1 170 34 23 SER HA H 4.371 0 1 171 34 23 SER HB2 H 3.749 0 2 172 34 23 SER C C 173.991 0 1 173 34 23 SER CA C 58.299 0 1 174 34 23 SER CB C 63.638 0 1 175 34 23 SER N N 115.128 0 1 176 35 24 MET H H 8.11 0 1 177 35 24 MET HA H 4.713 0 1 178 35 24 MET HB2 H 1.888 0 2 179 35 24 MET HB3 H 1.972 0 2 180 35 24 MET HG2 H 2.483 0 2 181 35 24 MET HG3 H 2.534 0 2 182 35 24 MET HE H 2.0121 0 1 183 35 24 MET C C 174.138 0 1 184 35 24 MET CA C 53.189 0 1 185 35 24 MET CB C 32.004 0 1 186 35 24 MET CG C 32.1 0 1 187 35 24 MET CE C 17.4471 0 1 188 35 24 MET N N 123.05 0 1 189 36 25 PRO HA H 4.394 0 1 190 36 25 PRO HB2 H 1.778 0 2 191 36 25 PRO HB3 H 2.177 0 2 192 36 25 PRO HG2 H 1.896 0 2 193 36 25 PRO HD2 H 3.548 0 2 194 36 25 PRO HD3 H 3.747 0 2 195 36 25 PRO C C 176.689 0 1 196 36 25 PRO CA C 62.676 0 1 197 36 25 PRO CB C 31.262 0 1 198 36 25 PRO CG C 27.5736 0 1 199 36 25 PRO CD C 50.792 0 1 200 37 26 SER H H 8.2564 0 1 201 37 26 SER HA H 4.323 0 1 202 37 26 SER HB2 H 3.823 0 2 203 37 26 SER HB3 H 3.996 0 2 204 37 26 SER C C 175.482 0 1 205 37 26 SER CA C 57.793 0 1 206 37 26 SER CB C 63.722 0 1 207 37 26 SER N N 116.8396 0 1 208 38 27 ALA H H 8.5406 0 1 209 38 27 ALA HA H 4.066 0 1 210 38 27 ALA HB H 1.3816 0 1 211 38 27 ALA C C 179.318 0 1 212 38 27 ALA CA C 54.236 0 1 213 38 27 ALA CB C 18.6694 0 1 214 38 27 ALA N N 125.0431 0 1 215 39 28 GLU H H 8.3184 0 1 216 39 28 GLU HA H 4.114 0 1 217 39 28 GLU HB2 H 1.896 0 2 218 39 28 GLU HB3 H 1.982 0 2 219 39 28 GLU HG2 H 2.229 0 2 220 39 28 GLU C C 177.311 0 1 221 39 28 GLU CA C 57.68 0 1 222 39 28 GLU CB C 28.711 0 1 223 39 28 GLU CG C 36.732 0 1 224 39 28 GLU N N 116.9744 0 1 225 40 29 GLN H H 7.734 0 1 226 40 29 GLN HA H 4.268 0 1 227 40 29 GLN HB2 H 1.896 0 2 228 40 29 GLN HB3 H 1.997 0 2 229 40 29 GLN HG2 H 2.22 0 2 230 40 29 GLN HG3 H 2.27 0 2 231 40 29 GLN C C 176.848 0 1 232 40 29 GLN CA C 56.244 0 1 233 40 29 GLN CB C 28.809 0 1 234 40 29 GLN CG C 34.08 0 1 235 40 29 GLN N N 117.568 0 1 236 41 30 LEU H H 7.6795 0 1 237 41 30 LEU HA H 4.221 0 1 238 41 30 LEU HB2 H 1.509 0 2 239 41 30 LEU HB3 H 1.681 0 2 240 41 30 LEU HG H 1.564 0 1 241 41 30 LEU HD1 H 0.863 0 2 242 41 30 LEU HD2 H 0.8246 0 2 243 41 30 LEU CA C 56.93 0 1 244 41 30 LEU CB C 40.31 0 1 245 41 30 LEU CG C 27.07 0 1 246 41 30 LEU CD1 C 25.0915 0 2 247 41 30 LEU CD2 C 23.9134 0 2 248 41 30 LEU N N 120.9162 0 1 249 42 31 PRO HA H 4.088 0 1 250 42 31 PRO HB3 H 2.037 0 2 251 42 31 PRO HG3 H 1.905 0 2 252 42 31 PRO HD3 H 3.601 0 2 253 42 31 PRO C C 177.649 0 1 254 42 31 PRO CA C 65.708 0 1 255 42 31 PRO CB C 30.66 0 1 256 42 31 PRO CG C 28.03 0 1 257 42 31 PRO CD C 50.49 0 1 258 43 32 PHE H H 7.2447 0 1 259 43 32 PHE HA H 3.82 0 1 260 43 32 PHE HB3 H 2.775 0 2 261 43 32 PHE HD1 H 6.875 0 3 262 43 32 PHE C C 176.96 0 1 263 43 32 PHE CA C 60.085 0 1 264 43 32 PHE CB C 37.981 0 1 265 43 32 PHE N N 114.7183 0 1 266 44 33 LEU H H 7.646 0 1 267 44 33 LEU HA H 3.806 0 1 268 44 33 LEU HB2 H 1.506 0 2 269 44 33 LEU HB3 H 1.664 0 2 270 44 33 LEU HG H 1.535 0 1 271 44 33 LEU HD1 H 0.8133 0 2 272 44 33 LEU HD2 H 0.7296 0 2 273 44 33 LEU C C 179.869 0 1 274 44 33 LEU CA C 57.565 0 1 275 44 33 LEU CB C 40.134 0 1 276 44 33 LEU CG C 27.07 0 1 277 44 33 LEU CD1 C 25.3518 0 2 278 44 33 LEU CD2 C 23.0221 0 2 279 44 33 LEU N N 118.6874 0 1 280 45 34 THR H H 7.907 0 1 281 45 34 THR HA H 3.914 0 1 282 45 34 THR HB H 4.04 0 1 283 45 34 THR HG2 H 0.9968 0 1 284 45 34 THR C C 176.619 0 1 285 45 34 THR CA C 65.31 0 1 286 45 34 THR CB C 67.984 0 1 287 45 34 THR CG2 C 21.0561 0 1 288 45 34 THR N N 114.1349 0 1 289 46 35 LEU H H 7.4213 0 1 290 46 35 LEU HA H 3.639 0 1 291 46 35 LEU HB2 H 1.153 0 2 292 46 35 LEU HB3 H 1.592 0 2 293 46 35 LEU HG H 1.4 0 1 294 46 35 LEU HD1 H 0.5189 0 2 295 46 35 LEU HD2 H 0.3294 0 2 296 46 35 LEU C C 177.124 0 1 297 46 35 LEU CA C 56.779 0 1 298 46 35 LEU CB C 40.208 0 1 299 46 35 LEU CG C 26.72 0 1 300 46 35 LEU CD1 C 25.1284 0 2 301 46 35 LEU CD2 C 22.8011 0 2 302 46 35 LEU N N 122.2012 0 1 303 47 36 ILE H H 7.64 0 1 304 47 36 ILE HA H 3.374 0 1 305 47 36 ILE HB H 1.716 0 1 306 47 36 ILE HG12 H 0.597 0 2 307 47 36 ILE HG13 H 1.537 0 2 308 47 36 ILE HG2 H 0.7124 0 1 309 47 36 ILE HD1 H 0.6486 0 1 310 47 36 ILE C C 177.358 0 1 311 47 36 ILE CA C 66.503 0 1 312 47 36 ILE CB C 37.474 0 1 313 47 36 ILE CG1 C 29.99 0 1 314 47 36 ILE CG2 C 17.1408 0 1 315 47 36 ILE CD1 C 13.9935 0 1 316 47 36 ILE N N 119.2524 0 1 317 48 37 GLU H H 7.3851 0 1 318 48 37 GLU HA H 3.992 0 1 319 48 37 GLU HB2 H 1.906 0 2 320 48 37 GLU HB3 H 1.985 0 2 321 48 37 GLU HG2 H 2.108 0 2 322 48 37 GLU HG3 H 2.276 0 2 323 48 37 GLU C C 178.032 0 1 324 48 37 GLU CA C 58.948 0 1 325 48 37 GLU CB C 28.828 0 1 326 48 37 GLU CG C 36.531 0 1 327 48 37 GLU N N 117.4969 0 1 328 49 38 HIS H H 7.4652 0 1 329 49 38 HIS HA H 4.12 0 1 330 49 38 HIS HB2 H 2.775 0 2 331 49 38 HIS HB3 H 2.826 0 2 332 49 38 HIS HD2 H 5.8048 0 1 333 49 38 HIS C C 177.886 0 1 334 49 38 HIS CA C 59.423 0 1 335 49 38 HIS CB C 30.461 0 1 336 49 38 HIS N N 118.448 0 1 337 50 39 PHE H H 7.8589 0 1 338 50 39 PHE HA H 4.259 0 1 339 50 39 PHE HB2 H 2.801 0 2 340 50 39 PHE HB3 H 2.848 0 2 341 50 39 PHE HD1 H 6.966 0 3 342 50 39 PHE HE1 H 7.085 0 3 343 50 39 PHE HZ H 6.89 0 1 344 50 39 PHE C C 178.786 0 1 345 50 39 PHE CA C 58.637 0 1 346 50 39 PHE CB C 37.334 0 1 347 50 39 PHE N N 116.695 0 1 348 51 40 GLU H H 8.6768 0 1 349 51 40 GLU HA H 4.265 0 1 350 51 40 GLU HB2 H 1.867 0 2 351 51 40 GLU HB3 H 2.086 0 2 352 51 40 GLU HG2 H 2.189 0 2 353 51 40 GLU HG3 H 2.617 0 2 354 51 40 GLU C C 181.978 0 1 355 51 40 GLU CA C 59.738 0 1 356 51 40 GLU CB C 28.089 0 1 357 51 40 GLU CG C 37.9 0 1 358 51 40 GLU N N 120.7026 0 1 359 52 41 LYS H H 8.4116 0 1 360 52 41 LYS HA H 4.021 0 1 361 52 41 LYS HB2 H 1.802 0 2 362 52 41 LYS HB3 H 1.891 0 2 363 52 41 LYS HG2 H 1.429 0 2 364 52 41 LYS HG3 H 1.532 0 2 365 52 41 LYS C C 178.19 0 1 366 52 41 LYS CA C 58.58 0 1 367 52 41 LYS CB C 30.858 0 1 368 52 41 LYS CG C 25.66 0 1 369 52 41 LYS CD C 28.99 0 1 370 52 41 LYS N N 121.4183 0 1 371 53 42 GLN H H 7.0699 0 1 372 53 42 GLN HA H 4.242 0 1 373 53 42 GLN HG2 H 2.14 0 2 374 53 42 GLN C C 175.928 0 1 375 53 42 GLN CA C 55.48 0 1 376 53 42 GLN CB C 28.72 0 1 377 53 42 GLN CG C 34.08 0 1 378 53 42 GLN N N 116.0607 0 1 379 54 43 GLY H H 7.8401 0 1 380 54 43 GLY HA2 H 3.622 0 2 381 54 43 GLY HA3 H 4.073 0 2 382 54 43 GLY C C 174.188 0 1 383 54 43 GLY CA C 44.733 0 1 384 54 43 GLY N N 107.3984 0 1 385 55 44 LEU H H 7.3111 0 1 386 55 44 LEU HA H 4.225 0 1 387 55 44 LEU HB2 H 0.758 0 2 388 55 44 LEU HB3 H 1.312 0 2 389 55 44 LEU HG H 1.339 0 1 390 55 44 LEU HD1 H 0.5139 0 2 391 55 44 LEU HD2 H 0.4515 0 2 392 55 44 LEU C C 176.068 0 1 393 55 44 LEU CA C 53.51 0 1 394 55 44 LEU CB C 41.083 0 1 395 55 44 LEU CG C 27.09 0 1 396 55 44 LEU CD1 C 25.1284 0 2 397 55 44 LEU CD2 C 23.9683 0 2 398 55 44 LEU N N 119.924 0 1 399 56 45 GLU H H 7.8252 0 1 400 56 45 GLU HA H 4.188 0 1 401 56 45 GLU HB2 H 1.609 0 2 402 56 45 GLU HG2 H 1.63 0 2 403 56 45 GLU HG3 H 1.89 0 2 404 56 45 GLU C C 175.035 0 1 405 56 45 GLU CA C 55.235 0 1 406 56 45 GLU CB C 29.965 0 1 407 56 45 GLU CG C 36.15 0 1 408 56 45 GLU N N 122.4133 0 1 409 57 46 VAL H H 8.617 0 1 410 57 46 VAL HA H 4.587 0 1 411 57 46 VAL HB H 1.875 0 1 412 57 46 VAL HG1 H 0.7052 0 2 413 57 46 VAL HG2 H 0.8347 0 2 414 57 46 VAL CA C 60.056 0 1 415 57 46 VAL CB C 31.327 0 1 416 57 46 VAL CG1 C 22.4708 0 2 417 57 46 VAL CG2 C 22.9586 0 2 418 57 46 VAL N N 126.0426 0 1 419 58 47 PHE HD1 H 7.12 0 3 420 58 47 PHE HZ H 0 0 1 421 59 48 ASN CA C 55.085 0 1 422 59 48 ASN CB C 41.235 0 1 423 60 49 ALA HA H 3.93 0 1 424 60 49 ALA HB H 1.148 0 1 425 60 49 ALA CA C 54.068 0 1 426 60 49 ALA CB C 19.51 0 1 427 61 50 HIS H H 8.0596 0 1 428 61 50 HIS HE1 H 7.71 0 1 429 61 50 HIS CA C 57.7 0 1 430 61 50 HIS CB C 30.559 0 1 431 61 50 HIS N N 119.8919 0 1 432 62 51 ARG HA H 4.01 0 1 433 62 51 ARG HD2 H 3.03 0 2 434 62 51 ARG CA C 57.67 0 1 435 62 51 ARG CB C 30.22 0 1 436 62 51 ARG CG C 27.72 0 1 437 62 51 ARG CD C 43.32 0 1 438 64 53 GLU HA H 4.02 0 1 439 64 53 GLU HB2 H 1.98 0 2 440 64 53 GLU HB3 H 1.901 0 2 441 64 53 GLU HG2 H 2.2 0 2 442 64 53 GLU C C 177.001 0 1 443 64 53 GLU CA C 57.247 0 1 444 64 53 GLU CB C 28.808 0 1 445 64 53 GLU CG C 37.03 0 1 446 65 54 ALA H H 7.9197 0 1 447 65 54 ALA HA H 4.079 0 1 448 65 54 ALA HB H 1.2446 0 1 449 65 54 ALA C C 178.038 0 1 450 65 54 ALA CA C 52.872 0 1 451 65 54 ALA CB C 18.8409 0 1 452 65 54 ALA N N 122.56 0 1 453 66 55 TRP H H 7.968 0 1 454 66 55 TRP HA H 4.421 0 1 455 66 55 TRP HB2 H 3.189 0 2 456 66 55 TRP HB3 H 3.287 0 2 457 66 55 TRP HD1 H 7.09 0 1 458 66 55 TRP HE1 H 10.0849 0 1 459 66 55 TRP HZ2 H 7.32 0 1 460 66 55 TRP C C 177.049 0 1 461 66 55 TRP CA C 57.263 0 1 462 66 55 TRP CB C 28.568 0 1 463 66 55 TRP N N 118.29 0 1 464 66 55 TRP NE1 N 129.4381 0 1 465 67 56 GLY H H 7.8574 0 1 466 67 56 GLY HA2 H 3.746 0 2 467 67 56 GLY HA3 H 3.984 0 2 468 67 56 GLY C C 174.091 0 1 469 67 56 GLY CA C 45.298 0 1 470 67 56 GLY N N 109.0638 0 1 471 68 57 ALA H H 8 0 1 472 68 57 ALA HA H 4.264 0 1 473 68 57 ALA HB H 1.35 0 1 474 68 57 ALA C C 177.484 0 1 475 68 57 ALA CA C 52.22 0 1 476 68 57 ALA CB C 19.38 0 1 477 68 57 ALA N N 123.594 0 1 478 69 58 GLN H H 8.0116 0 1 479 69 58 GLN HA H 4.268 0 1 480 69 58 GLN HB2 H 1.89 0 2 481 69 58 GLN HB3 H 2.004 0 2 482 69 58 GLN HG2 H 2.239 0 2 483 69 58 GLN C C 175.301 0 1 484 69 58 GLN CA C 55.694 0 1 485 69 58 GLN CB C 28.889 0 1 486 69 58 GLN CG C 33.95 0 1 487 69 58 GLN N N 118.565 0 1 488 70 59 VAL H H 7.9287 0 1 489 70 59 VAL HA H 4.031 0 1 490 70 59 VAL HB H 1.991 0 1 491 70 59 VAL HG1 H 0.8801 0 2 492 70 59 VAL HG2 H 0.8905 0 2 493 70 59 VAL C C 175.965 0 1 494 70 59 VAL CA C 62.038 0 1 495 70 59 VAL CB C 31.567 0 1 496 70 59 VAL CG1 C 21.4128 0 2 497 70 59 VAL CG2 C 20.7506 0 2 498 70 59 VAL N N 120.7417 0 1 499 71 60 LEU H H 8.1158 0 1 500 71 60 LEU HA H 4.52 0 1 501 71 60 LEU HB2 H 1.452 0 2 502 71 60 LEU HB3 H 1.596 0 2 503 71 60 LEU HG H 1.545 0 1 504 71 60 LEU HD1 H 0.7139 0 2 505 71 60 LEU HD2 H 0.6733 0 2 506 71 60 LEU C C 177.095 0 1 507 71 60 LEU CA C 54.399 0 1 508 71 60 LEU CB C 42.465 0 1 509 71 60 LEU CG C 27.33 0 1 510 71 60 LEU CD1 C 25.6127 0 2 511 71 60 LEU CD2 C 23.3686 0 2 512 71 60 LEU N N 126.1631 0 1 513 72 61 THR H H 8.0928 0 1 514 72 61 THR HA H 4.612 0 1 515 72 61 THR HB H 4.475 0 1 516 72 61 THR HG2 H 1.2352 0 1 517 72 61 THR C C 176.37 0 1 518 72 61 THR CA C 59.37 0 1 519 72 61 THR CB C 68.388 0 1 520 72 61 THR CG2 C 22.0172 0 1 521 72 61 THR N N 112.7952 0 1 522 73 62 PRO HA H 4.009 0 1 523 73 62 PRO HD2 H 3.27 0 2 524 73 62 PRO HD3 H 3.64 0 2 525 73 62 PRO C C 179.299 0 1 526 73 62 PRO CA C 65.963 0 1 527 73 62 PRO CB C 30.53 0 1 528 73 62 PRO CD C 50.36 0 1 529 74 63 GLU H H 9.2326 0 1 530 74 63 GLU HA H 4.012 0 1 531 74 63 GLU HB2 H 1.884 0 2 532 74 63 GLU HB3 H 1.957 0 2 533 74 63 GLU HG2 H 2.155 0 2 534 74 63 GLU HG3 H 2.396 0 2 535 74 63 GLU C C 177.319 0 1 536 74 63 GLU CA C 59.574 0 1 537 74 63 GLU CB C 27.974 0 1 538 74 63 GLU CG C 37.39 0 1 539 74 63 GLU N N 116.8613 0 1 540 75 64 GLU H H 7.483 0 1 541 75 64 GLU HA H 4.185 0 1 542 75 64 GLU HB2 H 1.56 0 2 543 75 64 GLU HB3 H 1.68 0 2 544 75 64 GLU HG2 H 2.14 0 2 545 75 64 GLU HG3 H 2.21 0 2 546 75 64 GLU C C 178.694 0 1 547 75 64 GLU CA C 57.238 0 1 548 75 64 GLU CB C 30.611 0 1 549 75 64 GLU CG C 37.11 0 1 550 75 64 GLU N N 116.5048 0 1 551 76 65 CYS H H 8.3497 0 1 552 76 65 CYS HA H 4.41 0 1 553 76 65 CYS HB2 H 3.07 0 2 554 76 65 CYS HB3 H 3.31 0 2 555 76 65 CYS C C 175.629 0 1 556 76 65 CYS CA C 57.684 0 1 557 76 65 CYS CB C 42.229 0 1 558 76 65 CYS N N 115.2281 0 1 559 77 66 THR H H 7.862 0 1 560 77 66 THR HA H 4.119 0 1 561 77 66 THR HB H 4.268 0 1 562 77 66 THR HG2 H 1.322 0 1 563 77 66 THR CA C 69.907 0 1 564 77 66 THR CB C 65.905 0 1 565 77 66 THR CG2 C 22.1837 0 1 566 77 66 THR N N 119.4955 0 1 567 78 67 PRO HA H 3.86 0 1 568 78 67 PRO HB2 H 1.684 0 2 569 78 67 PRO HB3 H 2.061 0 2 570 78 67 PRO HG2 H 1.869 0 2 571 78 67 PRO HG3 H 1.95 0 2 572 78 67 PRO HD2 H 3.43 0 2 573 78 67 PRO C C 179.763 0 1 574 78 67 PRO CA C 65.49 0 1 575 78 67 PRO CB C 29.896 0 1 576 78 67 PRO CG C 28.18 0 1 577 78 67 PRO CD C 50.6 0 1 578 79 68 LEU H H 6.2641 0 1 579 79 68 LEU HA H 3.968 0 1 580 79 68 LEU HB2 H 1.562 0 2 581 79 68 LEU HB3 H 1.584 0 2 582 79 68 LEU HG H 1.577 0 1 583 79 68 LEU HD1 H 0.7506 0 2 584 79 68 LEU HD2 H 0.7354 0 2 585 79 68 LEU C C 177.778 0 1 586 79 68 LEU CA C 56.991 0 1 587 79 68 LEU CB C 40.748 0 1 588 79 68 LEU CG C 26.9 0 1 589 79 68 LEU CD1 C 24.5158 0 2 590 79 68 LEU CD2 C 23.71 0 2 591 79 68 LEU N N 117.6125 0 1 592 80 69 ASP H H 8.18 0 1 593 80 69 ASP HA H 4.4 0 1 594 80 69 ASP HB2 H 2.91 0 2 595 80 69 ASP HB3 H 3.18 0 2 596 80 69 ASP C C 177.115 0 1 597 80 69 ASP CA C 57.442 0 1 598 80 69 ASP CB C 40.491 0 1 599 80 69 ASP N N 119.74 0 1 600 81 70 GLN H H 7.5187 0 1 601 81 70 GLN HA H 3.299 0 1 602 81 70 GLN HG2 H 0.58 0 2 603 81 70 GLN C C 177.631 0 1 604 81 70 GLN CA C 59.611 0 1 605 81 70 GLN CB C 28.676 0 1 606 81 70 GLN CG C 35.6 0 1 607 81 70 GLN N N 114.2352 0 1 608 82 71 LEU H H 7.6236 0 1 609 82 71 LEU HA H 3.708 0 1 610 82 71 LEU HB2 H 1.604 0 2 611 82 71 LEU HB3 H 1.675 0 2 612 82 71 LEU HG H 1.457 0 1 613 82 71 LEU HD1 H 0.7383 0 2 614 82 71 LEU HD2 H 0.7445 0 2 615 82 71 LEU C C 179.319 0 1 616 82 71 LEU CA C 57.798 0 1 617 82 71 LEU CB C 40.693 0 1 618 82 71 LEU CG C 26.9 0 1 619 82 71 LEU CD1 C 24.111 0 2 620 82 71 LEU CD2 C 24.9225 0 2 621 82 71 LEU N N 119.0842 0 1 622 83 72 GLU H H 8.0493 0 1 623 83 72 GLU HA H 3.399 0 1 624 83 72 GLU HB2 H 1.6 0 2 625 83 72 GLU HG2 H 2.01 0 2 626 83 72 GLU C C 178.416 0 1 627 83 72 GLU CA C 59.925 0 1 628 83 72 GLU CB C 28.138 0 1 629 83 72 GLU CG C 34.18 0 1 630 83 72 GLU N N 119.1788 0 1 631 84 73 ILE H H 7.3826 0 1 632 84 73 ILE HA H 3.207 0 1 633 84 73 ILE HB H 1.678 0 1 634 84 73 ILE HG12 H -0.395 0 2 635 84 73 ILE HG13 H 0.955 0 2 636 84 73 ILE HG2 H 0.5174 0 1 637 84 73 ILE HD1 H 0.7243 0 1 638 84 73 ILE C C 177.818 0 1 639 84 73 ILE CA C 65.349 0 1 640 84 73 ILE CB C 36.745 0 1 641 84 73 ILE CG1 C 28.44 0 1 642 84 73 ILE CG2 C 16.4635 0 1 643 84 73 ILE CD1 C 16.1862 0 1 644 84 73 ILE N N 119.8168 0 1 645 85 74 ARG H H 7.4483 0 1 646 85 74 ARG HA H 3.489 0 1 647 85 74 ARG HB2 H 1.509 0 2 648 85 74 ARG HB3 H 1.589 0 2 649 85 74 ARG HG2 H 0.65 0 2 650 85 74 ARG HG3 H 1.24 0 2 651 85 74 ARG HD2 H 2.196 0 2 652 85 74 ARG HD3 H 2.398 0 2 653 85 74 ARG C C 179.249 0 1 654 85 74 ARG CA C 59.744 0 1 655 85 74 ARG CB C 29.142 0 1 656 85 74 ARG CG C 28.48 0 1 657 85 74 ARG CD C 43.2 0 1 658 85 74 ARG N N 116.3418 0 1 659 86 75 LYS H H 7.8731 0 1 660 86 75 LYS HA H 3.9855 0 1 661 86 75 LYS HB2 H 1.6 0 2 662 86 75 LYS HG2 H 1.36 0 2 663 86 75 LYS HG3 H 1.3 0 2 664 86 75 LYS HD2 H 1.4 0 2 665 86 75 LYS HE2 H 2.67 0 2 666 86 75 LYS C C 177.309 0 1 667 86 75 LYS CA C 57.322 0 1 668 86 75 LYS CB C 32.582 0 1 669 86 75 LYS CG C 24.89 0 1 670 86 75 LYS CD C 29.34 0 1 671 86 75 LYS CE C 41.62 0 1 672 86 75 LYS N N 118.1173 0 1 673 87 76 ALA H H 7.41 0 1 674 87 76 ALA HA H 4.485 0 1 675 87 76 ALA HB H 1.5662 0 1 676 87 76 ALA C C 178.028 0 1 677 87 76 ALA CA C 51.695 0 1 678 87 76 ALA CB C 20.9368 0 1 679 87 76 ALA N N 123.3518 0 1 680 88 77 ASP H H 8.0683 0 1 681 88 77 ASP HA H 4.476 0 1 682 88 77 ASP HB2 H 2.703 0 2 683 88 77 ASP HB3 H 3.287 0 2 684 88 77 ASP C C 175.836 0 1 685 88 77 ASP CA C 57.04 0 1 686 88 77 ASP CB C 41.534 0 1 687 88 77 ASP N N 120.6909 0 1 688 89 78 VAL H H 7.3011 0 1 689 89 78 VAL HA H 4.437 0 1 690 89 78 VAL HB H 1.792 0 1 691 89 78 VAL HG1 H 0.7676 0 2 692 89 78 VAL HG2 H 0.7993 0 2 693 89 78 VAL C C 170.896 0 1 694 89 78 VAL CA C 59.916 0 1 695 89 78 VAL CB C 34.166 0 1 696 89 78 VAL CG1 C 20.1326 0 2 697 89 78 VAL CG2 C 22.0193 0 2 698 89 78 VAL N N 112.3768 0 1 699 90 79 PHE H H 8.5087 0 1 700 90 79 PHE HA H 5.224 0 1 701 90 79 PHE HD1 H 6.9976 0 3 702 90 79 PHE HE1 H 6.808 0 3 703 90 79 PHE HZ H 6.759 0 1 704 90 79 PHE C C 172.391 0 1 705 90 79 PHE CA C 56.592 0 1 706 90 79 PHE CB C 40.031 0 1 707 90 79 PHE N N 130.2851 0 1 708 91 80 VAL H H 8.7425 0 1 709 91 80 VAL HA H 4.903 0 1 710 91 80 VAL HB H 1.7 0 1 711 91 80 VAL HG1 H 0.6466 0 2 712 91 80 VAL HG2 H 0.6438 0 2 713 91 80 VAL C C 173.392 0 1 714 91 80 VAL CA C 59.739 0 1 715 91 80 VAL CB C 32.727 0 1 716 91 80 VAL CG1 C 20.9802 0 2 717 91 80 VAL CG2 C 21.3026 0 2 718 91 80 VAL N N 129.0603 0 1 719 92 81 ALA H H 8.7048 0 1 720 92 81 ALA HA H 5.505 0 1 721 92 81 ALA HB H 0.9226 0 1 722 92 81 ALA C C 175.304 0 1 723 92 81 ALA CA C 49.046 0 1 724 92 81 ALA CB C 24.48 0 1 725 92 81 ALA N N 124.4851 0 1 726 93 82 ILE H H 8.2315 0 1 727 93 82 ILE HA H 4.75 0 1 728 93 82 ILE HB H 1.912 0 1 729 93 82 ILE HG12 H 0.955 0 2 730 93 82 ILE HG13 H 1.487 0 2 731 93 82 ILE HG2 H 0.9313 0 1 732 93 82 ILE HD1 H 0.6372 0 1 733 93 82 ILE CA C 57.947 0 1 734 93 82 ILE CB C 39.028 0 1 735 93 82 ILE CG1 C 28.96 0 1 736 93 82 ILE CG2 C 18.923 0 1 737 93 82 ILE CD1 C 14.4367 0 1 738 93 82 ILE N N 123.5223 0 1 739 94 83 PRO HA H 3.803 0 1 740 94 83 PRO HG2 H 1.33 0 2 741 94 83 PRO HD2 H 3.81 0 2 742 94 83 PRO C C 176.449 0 1 743 94 83 PRO CA C 65.686 0 1 744 94 83 PRO CB C 31.273 0 1 745 94 83 PRO CG C 28.3698 0 1 746 94 83 PRO CD C 50.42 0 1 747 95 84 GLY H H 7.4465 0 1 748 95 84 GLY HA2 H 4.27 0 2 749 95 84 GLY HA3 H 3.59 0 2 750 95 84 GLY C C 171.924 0 1 751 95 84 GLY CA C 43.604 0 1 752 95 84 GLY N N 125.4191 0 1 753 96 85 ILE H H 7.3008 0 1 754 96 85 ILE HA H 3.466 0 1 755 96 85 ILE HB H 1.408 0 1 756 96 85 ILE HG12 H 0.054 0 2 757 96 85 ILE HG13 H 1.127 0 2 758 96 85 ILE HG2 H 0.6356 0 1 759 96 85 ILE HD1 H 0.3694 0 1 760 96 85 ILE CA C 60.368 0 1 761 96 85 ILE CB C 40.552 0 1 762 96 85 ILE CG1 C 27.24 0 1 763 96 85 ILE CG2 C 17.6982 0 1 764 96 85 ILE CD1 C 14.5499 0 1 765 96 85 ILE N N 119.1878 0 1 766 97 86 PRO HA H 4.72 0 1 767 97 86 PRO HB2 H 2.42 0 2 768 97 86 PRO HD2 H 3.58 0 2 769 97 86 PRO CA C 62.24 0 1 770 97 86 PRO CB C 33.14 0 1 771 97 86 PRO CG C 25.26 0 1 772 97 86 PRO CD C 49.89 0 1 773 98 87 PRO C C 178.058 0 1 774 98 87 PRO CA C 62.1225 0 1 775 98 87 PRO CB C 31.613 0 1 776 98 87 PRO CD C 50.58 0 1 777 99 88 SER H H 8.3012 0 1 778 99 88 SER HA H 4.965 0 1 779 99 88 SER HB3 H 3.91 0 2 780 99 88 SER CA C 54.012 0 1 781 99 88 SER CB C 61.793 0 1 782 99 88 SER N N 116.6744 0 1 783 100 89 PRO C C 179.09 0 1 784 100 89 PRO CA C 65.93 0 1 785 100 89 PRO CB C 31.89 0 1 786 100 89 PRO CG C 27.01 0 1 787 100 89 PRO CD C 51.2 0 1 788 101 90 GLY H H 8.6308 0 1 789 101 90 GLY HA2 H 4.04 0 2 790 101 90 GLY HA3 H 4.254 0 2 791 101 90 GLY C C 175.278 0 1 792 101 90 GLY CA C 47.411 0 1 793 101 90 GLY N N 107.707 0 1 794 102 91 THR H H 7.1421 0 1 795 102 91 THR HA H 4.361 0 1 796 102 91 THR HB H 3.918 0 1 797 102 91 THR HG2 H 1.0009 0 1 798 102 91 THR C C 176.302 0 1 799 102 91 THR CA C 64.965 0 1 800 102 91 THR CB C 68.176 0 1 801 102 91 THR CG2 C 21.818 0 1 802 102 91 THR N N 116.3607 0 1 803 103 92 HIS H H 7.631 0 1 804 103 92 HIS HA H 3.74 0 1 805 103 92 HIS HD2 H 6.395 0 1 806 103 92 HIS HE1 H 7.67 0 1 807 103 92 HIS C C 176.6 0 1 808 103 92 HIS CA C 62.842 0 1 809 103 92 HIS CB C 28.331 0 1 810 103 92 HIS N N 118.553 0 1 811 104 93 VAL H H 7.5257 0 1 812 104 93 VAL HA H 3.207 0 1 813 104 93 VAL HB H 1.708 0 1 814 104 93 VAL HG1 H -0.6435 0 2 815 104 93 VAL HG2 H 0.8567 0 2 816 104 93 VAL C C 177.948 0 1 817 104 93 VAL CA C 66.27 0 1 818 104 93 VAL CB C 29.782 0 1 819 104 93 VAL CG1 C 20.0939 0 2 820 104 93 VAL CG2 C 22.2227 0 2 821 104 93 VAL N N 121.6587 0 1 822 105 94 GLU H H 7.8425 0 1 823 105 94 GLU HA H 3.362 0 1 824 105 94 GLU C C 177.784 0 1 825 105 94 GLU CA C 59.032 0 1 826 105 94 GLU CB C 27.33 0 1 827 105 94 GLU N N 117.826 0 1 828 106 95 ILE H H 8.2231 0 1 829 106 95 ILE HA H 3.169 0 1 830 106 95 ILE HB H 1.732 0 1 831 106 95 ILE HG12 H 0.694 0 2 832 106 95 ILE HG13 H 2.027 0 2 833 106 95 ILE HG2 H 0.6282 0 1 834 106 95 ILE HD1 H 0.2297 0 1 835 106 95 ILE C C 179.376 0 1 836 106 95 ILE CA C 65.241 0 1 837 106 95 ILE CB C 37.165 0 1 838 106 95 ILE CG1 C 30.15 0 1 839 106 95 ILE CG2 C 18.7472 0 1 840 106 95 ILE CD1 C 13.8312 0 1 841 106 95 ILE N N 119.7436 0 1 842 107 96 GLY H H 7.6189 0 1 843 107 96 GLY HA2 H 3.11 0 2 844 107 96 GLY HA3 H 3.4 0 2 845 107 96 GLY C C 174.107 0 1 846 107 96 GLY CA C 46.753 0 1 847 107 96 GLY N N 111.2392 0 1 848 108 97 TRP H H 8.1673 0 1 849 108 97 TRP HA H 3.703 0 1 850 108 97 TRP HB2 H 3.15 0 2 851 108 97 TRP HB3 H 3.4 0 2 852 108 97 TRP HD1 H 7.22 0 1 853 108 97 TRP HE1 H 10.1935 0 1 854 108 97 TRP HE3 H 7.35 0 1 855 108 97 TRP HZ2 H 6.99 0 1 856 108 97 TRP HZ3 H 7.27 0 1 857 108 97 TRP HH2 H 7.16 0 1 858 108 97 TRP C C 176.058 0 1 859 108 97 TRP CA C 57.922 0 1 860 108 97 TRP CB C 27.724 0 1 861 108 97 TRP N N 123.1868 0 1 862 108 97 TRP NE1 N 127.0613 0 1 863 109 98 ALA H H 8.7135 0 1 864 109 98 ALA HA H 3.17 0 1 865 109 98 ALA HB H 0.0254 0 1 866 109 98 ALA C C 178.744 0 1 867 109 98 ALA CA C 55.231 0 1 868 109 98 ALA CB C 16.4968 0 1 869 109 98 ALA N N 118.3971 0 1 870 110 99 SER H H 7.6192 0 1 871 110 99 SER HA H 3.95 0 1 872 110 99 SER HB3 H 3.76 0 2 873 110 99 SER HG H 5.13 0 1 874 110 99 SER C C 178.039 0 1 875 110 99 SER CA C 60.283 0 1 876 110 99 SER CB C 62.404 0 1 877 110 99 SER N N 107.4218 0 1 878 111 100 ALA H H 8.1179 0 1 879 111 100 ALA HA H 3.981 0 1 880 111 100 ALA HB H 0.8734 0 1 881 111 100 ALA C C 179.001 0 1 882 111 100 ALA CA C 54.644 0 1 883 111 100 ALA CB C 20.2891 0 1 884 111 100 ALA N N 128.8022 0 1 885 112 101 PHE H H 7.8878 0 1 886 112 101 PHE HA H 4.789 0 1 887 112 101 PHE HB2 H 2.667 0 2 888 112 101 PHE HB3 H 3.429 0 2 889 112 101 PHE HD1 H 6.75 0 3 890 112 101 PHE HE1 H 6.51 0 3 891 112 101 PHE C C 174.515 0 1 892 112 101 PHE CA C 54.587 0 1 893 112 101 PHE CB C 36.765 0 1 894 112 101 PHE N N 115.6871 0 1 895 113 102 ASP H H 7.7301 0 1 896 113 102 ASP HA H 4.445 0 1 897 113 102 ASP HB2 H 2.535 0 2 898 113 102 ASP HB3 H 3.07 0 2 899 113 102 ASP C C 175.28 0 1 900 113 102 ASP CA C 55.023 0 1 901 113 102 ASP CB C 38.587 0 1 902 113 102 ASP N N 116.8351 0 1 903 114 103 LYS H H 7.7651 0 1 904 114 103 LYS HA H 4.6 0 1 905 114 103 LYS HE2 H 3.03 0 2 906 114 103 LYS HE3 H 3.256 0 2 907 114 103 LYS C C 174.78 0 1 908 114 103 LYS CA C 51.53 0 1 909 114 103 LYS CB C 28.461 0 1 910 114 103 LYS CE C 42.04 0 1 911 114 103 LYS N N 115.5272 0 1 912 115 104 PRO HA H 4.672 0 1 913 115 104 PRO C C 176.589 0 1 914 115 104 PRO CA C 62.763 0 1 915 115 104 PRO CB C 30.739 0 1 916 115 104 PRO CD C 50.66 0 1 917 116 105 ILE H H 8.3481 0 1 918 116 105 ILE HA H 5.334 0 1 919 116 105 ILE HB H 1.678 0 1 920 116 105 ILE HG12 H 0.664 0 2 921 116 105 ILE HG13 H 1.818 0 2 922 116 105 ILE HG2 H 0.7479 0 1 923 116 105 ILE HD1 H 0.4192 0 1 924 116 105 ILE C C 174.463 0 1 925 116 105 ILE CA C 60.358 0 1 926 116 105 ILE CB C 41.16 0 1 927 116 105 ILE CG1 C 27.26 0 1 928 116 105 ILE CG2 C 17.7985 0 1 929 116 105 ILE CD1 C 14.3872 0 1 930 116 105 ILE N N 125.672 0 1 931 117 106 VAL H H 8.9985 0 1 932 117 106 VAL HA H 4.908 0 1 933 117 106 VAL HB H 1.813 0 1 934 117 106 VAL HG1 H 0.7168 0 2 935 117 106 VAL HG2 H 0.7486 0 2 936 117 106 VAL C C 175.011 0 1 937 117 106 VAL CA C 60.134 0 1 938 117 106 VAL CB C 33.638 0 1 939 117 106 VAL CG1 C 21.5061 0 2 940 117 106 VAL CG2 C 22 0 2 941 117 106 VAL N N 126.4311 0 1 942 118 107 LEU H H 8.1701 0 1 943 118 107 LEU HA H 5.076 0 1 944 118 107 LEU HB2 H 0.785 0 2 945 118 107 LEU HB3 H 1.333 0 2 946 118 107 LEU HD1 H 0.6836 0 2 947 118 107 LEU HD2 H 0.6714 0 2 948 118 107 LEU C C 174.843 0 1 949 118 107 LEU CA C 52.452 0 1 950 118 107 LEU CB C 44.041 0 1 951 118 107 LEU CD1 C 27.3494 0 2 952 118 107 LEU CD2 C 25.2534 0 2 953 118 107 LEU N N 125.1896 0 1 954 119 108 LEU H H 8.4543 0 1 955 119 108 LEU HA H 5.062 0 1 956 119 108 LEU HB2 H 1.326 0 2 957 119 108 LEU HB3 H 1.799 0 2 958 119 108 LEU HD1 H 0.4942 0 2 959 119 108 LEU HD2 H 0.4617 0 2 960 119 108 LEU C C 174.752 0 1 961 119 108 LEU CA C 53.636 0 1 962 119 108 LEU CB C 40.719 0 1 963 119 108 LEU CD1 C 25.4718 0 2 964 119 108 LEU CD2 C 25.8564 0 2 965 119 108 LEU N N 124.0602 0 1 966 120 109 LEU H H 8.7281 0 1 967 120 109 LEU HA H 4.346 0 1 968 120 109 LEU HG H 0.876 0 1 969 120 109 LEU HD1 H 0.3828 0 2 970 120 109 LEU HD2 H -0.1581 0 2 971 120 109 LEU C C 174.95 0 1 972 120 109 LEU CA C 52.393 0 1 973 120 109 LEU CB C 42.629 0 1 974 120 109 LEU CG C 27.24 0 1 975 120 109 LEU CD1 C 24.9533 0 2 976 120 109 LEU CD2 C 21.7731 0 2 977 120 109 LEU N N 124.9488 0 1 978 121 110 GLU H H 8.4648 0 1 979 121 110 GLU HA H 3.44 0 1 980 121 110 GLU HB2 H 1.642 0 2 981 121 110 GLU HB3 H 1.729 0 2 982 121 110 GLU HG2 H 1.845 0 2 983 121 110 GLU HG3 H 2.176 0 2 984 121 110 GLU C C 176.843 0 1 985 121 110 GLU CA C 56.629 0 1 986 121 110 GLU CB C 29.479 0 1 987 121 110 GLU CG C 36.69 0 1 988 121 110 GLU N N 123.1659 0 1 989 122 111 GLU H H 8.3194 0 1 990 122 111 GLU HA H 3.941 0 1 991 122 111 GLU HB2 H 1.51 0 2 992 122 111 GLU HB3 H 1.617 0 2 993 122 111 GLU HG2 H 2.005 0 2 994 122 111 GLU C C 177 0 1 995 122 111 GLU CA C 57.072 0 1 996 122 111 GLU CB C 29.156 0 1 997 122 111 GLU CG C 35.96 0 1 998 122 111 GLU N N 127.3251 0 1 999 123 112 GLY H H 9.0641 0 1 1000 123 112 GLY HA2 H 3.803 0 2 1001 123 112 GLY HA3 H 4.173 0 2 1002 123 112 GLY C C 175.301 0 1 1003 123 112 GLY CA C 45.15 0 1 1004 123 112 GLY N N 115.886 0 1 1005 124 113 ARG H H 7.6183 0 1 1006 124 113 ARG HA H 4.763 0 1 1007 124 113 ARG HD2 H 2.868 0 2 1008 124 113 ARG HD3 H 3.072 0 2 1009 124 113 ARG C C 176.66 0 1 1010 124 113 ARG CA C 54.522 0 1 1011 124 113 ARG CB C 29.602 0 1 1012 124 113 ARG CG C 26.12 0 1 1013 124 113 ARG CD C 43.25 0 1 1014 124 113 ARG N N 118.9411 0 1 1015 125 114 GLU H H 8.8131 0 1 1016 125 114 GLU HA H 3.928 0 1 1017 125 114 GLU HB2 H 1.871 0 2 1018 125 114 GLU HB3 H 2.102 0 2 1019 125 114 GLU HG2 H 2.104 0 2 1020 125 114 GLU HG3 H 2.34 0 2 1021 125 114 GLU C C 177.846 0 1 1022 125 114 GLU CA C 61.738 0 1 1023 125 114 GLU CB C 29.38 0 1 1024 125 114 GLU CG C 37.41 0 1 1025 125 114 GLU N N 120.8271 0 1 1026 126 115 GLU H H 8.4778 0 1 1027 126 115 GLU HA H 4.032 0 1 1028 126 115 GLU HB2 H 1.89 0 2 1029 126 115 GLU HB3 H 1.947 0 2 1030 126 115 GLU HG2 H 2.186 0 2 1031 126 115 GLU HG3 H 2.25 0 2 1032 126 115 GLU C C 177.636 0 1 1033 126 115 GLU CA C 57.892 0 1 1034 126 115 GLU CB C 29.02 0 1 1035 126 115 GLU CG C 37.12 0 1 1036 126 115 GLU N N 112.8638 0 1 1037 127 116 GLU H H 8.1568 0 1 1038 127 116 GLU HA H 4.058 0 1 1039 127 116 GLU HB2 H 1.77 0 2 1040 127 116 GLU HB3 H 1.804 0 2 1041 127 116 GLU HG2 H 2.018 0 2 1042 127 116 GLU C C 176.411 0 1 1043 127 116 GLU CA C 56.384 0 1 1044 127 116 GLU CB C 28.82 0 1 1045 127 116 GLU CG C 37.41 0 1 1046 127 116 GLU N N 117.9682 0 1 1047 128 117 TYR H H 7.4234 0 1 1048 128 117 TYR HA H 4.564 0 1 1049 128 117 TYR HB2 H 2.701 0 2 1050 128 117 TYR HB3 H 3.025 0 2 1051 128 117 TYR HD1 H 7.4157 0 3 1052 128 117 TYR HE1 H 6.589 0 3 1053 128 117 TYR C C 176.444 0 1 1054 128 117 TYR CA C 57.412 0 1 1055 128 117 TYR CB C 38.699 0 1 1056 128 117 TYR N N 117.8256 0 1 1057 129 118 GLY H H 9.5218 0 1 1058 129 118 GLY CA C 45.128 0 1 1059 129 118 GLY N N 107.6595 0 1 1060 130 119 PHE HA H 4.033 0 1 1061 130 119 PHE HB2 H 2.98 0 2 1062 130 119 PHE HB3 H 3.282 0 2 1063 130 119 PHE C C 177.635 0 1 1064 130 119 PHE CA C 61.68 0 1 1065 130 119 PHE CB C 38.307 0 1 1066 131 120 LEU H H 8.0666 0 1 1067 131 120 LEU HA H 4.4733 0 1 1068 131 120 LEU HB2 H 1.269 0 2 1069 131 120 LEU HB3 H 1.386 0 2 1070 131 120 LEU HG H 1.638 0 1 1071 131 120 LEU HD1 H 0.808 0 2 1072 131 120 LEU HD2 H 1.143 0 2 1073 131 120 LEU C C 177.736 0 1 1074 131 120 LEU CA C 56.847 0 1 1075 131 120 LEU CB C 41.525 0 1 1076 131 120 LEU CG C 27.58 0 1 1077 131 120 LEU CD1 C 26.3281 0 2 1078 131 120 LEU CD2 C 24.769 0 2 1079 131 120 LEU N N 115.5952 0 1 1080 132 121 VAL H H 6.7314 0 1 1081 132 121 VAL HA H 3.457 0 1 1082 132 121 VAL HB H 2.311 0 1 1083 132 121 VAL HG1 H 0.8419 0 2 1084 132 121 VAL HG2 H 1.0822 0 2 1085 132 121 VAL C C 177.421 0 1 1086 132 121 VAL CA C 66.091 0 1 1087 132 121 VAL CB C 30.99 0 1 1088 132 121 VAL CG1 C 21.81 0 2 1089 132 121 VAL CG2 C 23.2358 0 2 1090 132 121 VAL N N 113.3618 0 1 1091 133 122 ARG H H 7.5629 0 1 1092 133 122 ARG HA H 3.746 0 1 1093 133 122 ARG C C 178.327 0 1 1094 133 122 ARG CA C 58.885 0 1 1095 133 122 ARG CB C 30.558 0 1 1096 133 122 ARG N N 114.7035 0 1 1097 134 123 GLY H H 8.3067 0 1 1098 134 123 GLY HA2 H 3.538 0 2 1099 134 123 GLY HA3 H 4.159 0 2 1100 134 123 GLY C C 175.619 0 1 1101 134 123 GLY CA C 44.265 0 1 1102 134 123 GLY N N 130.6772 0 1 1103 135 124 LEU H H 7.2451 0 1 1104 135 124 LEU HA H 3.964 0 1 1105 135 124 LEU HG H 1.871 0 1 1106 135 124 LEU HD1 H 0.9477 0 2 1107 135 124 LEU HD2 H 0.755 0 2 1108 135 124 LEU C C 177.682 0 1 1109 135 124 LEU CA C 57.313 0 1 1110 135 124 LEU CB C 41.815 0 1 1111 135 124 LEU CG C 26.73 0 1 1112 135 124 LEU CD1 C 22.8211 0 2 1113 135 124 LEU CD2 C 27.9411 0 2 1114 135 124 LEU N N 124.1278 0 1 1115 136 125 GLY H H 9.0182 0 1 1116 136 125 GLY HA2 H 3.898 0 2 1117 136 125 GLY HA3 H 4.395 0 2 1118 136 125 GLY C C 174.984 0 1 1119 136 125 GLY CA C 45.515 0 1 1120 136 125 GLY N N 129.2865 0 1 1121 137 126 THR H H 7.915 0 1 1122 137 126 THR HA H 4.331 0 1 1123 137 126 THR HB H 4.203 0 1 1124 137 126 THR HG2 H 1.4578 0 1 1125 137 126 THR C C 176.69 0 1 1126 137 126 THR CA C 63.353 0 1 1127 137 126 THR CB C 69.544 0 1 1128 137 126 THR CG2 C 22.5102 0 1 1129 137 126 THR N N 108.8962 0 1 1130 138 127 VAL H H 7.5389 0 1 1131 138 127 VAL HA H 4.584 0 1 1132 138 127 VAL HB H 2.282 0 1 1133 138 127 VAL HG1 H 0.6033 0 2 1134 138 127 VAL HG2 H 0.8105 0 2 1135 138 127 VAL C C 174.058 0 1 1136 138 127 VAL CA C 59.718 0 1 1137 138 127 VAL CB C 32.411 0 1 1138 138 127 VAL CG1 C 21.6548 0 2 1139 138 127 VAL CG2 C 18.8972 0 2 1140 138 127 VAL N N 111.9526 0 1 1141 139 128 ALA H H 7.9069 0 1 1142 139 128 ALA HA H 4.528 0 1 1143 139 128 ALA HB H 1.1932 0 1 1144 139 128 ALA C C 174.306 0 1 1145 139 128 ALA CA C 50.476 0 1 1146 139 128 ALA CB C 21.3789 0 1 1147 139 128 ALA N N 126.6533 0 1 1148 140 129 ALA H H 9.3341 0 1 1149 140 129 ALA HA H 4.304 0 1 1150 140 129 ALA HB H 1.1243 0 1 1151 140 129 ALA C C 173.562 0 1 1152 140 129 ALA CA C 51.389 0 1 1153 140 129 ALA CB C 17.9209 0 1 1154 140 129 ALA N N 125.9412 0 1 1155 141 130 VAL H H 7.8394 0 1 1156 141 130 VAL HA H 5.136 0 1 1157 141 130 VAL HB H 1.395 0 1 1158 141 130 VAL HG1 H -0.0315 0 2 1159 141 130 VAL HG2 H 0.4897 0 2 1160 141 130 VAL C C 176.723 0 1 1161 141 130 VAL CA C 59.262 0 1 1162 141 130 VAL CB C 35.245 0 1 1163 141 130 VAL CG1 C 21.909 0 2 1164 141 130 VAL CG2 C 21.8587 0 2 1165 141 130 VAL N N 123.1735 0 1 1166 142 131 GLU H H 8.4774 0 1 1167 142 131 GLU HA H 4.52 0 1 1168 142 131 GLU C C 174.413 0 1 1169 142 131 GLU CA C 53.958 0 1 1170 142 131 GLU CB C 32.419 0 1 1171 142 131 GLU CG C 36.78 0 1 1172 142 131 GLU N N 125.5168 0 1 1173 143 132 PHE H H 8.8782 0 1 1174 143 132 PHE HA H 5.016 0 1 1175 143 132 PHE HB2 H 2.368 0 2 1176 143 132 PHE HB3 H 2.917 0 2 1177 143 132 PHE HD1 H 7.026 0 3 1178 143 132 PHE HE1 H 7.207 0 3 1179 143 132 PHE HE2 H 0 0 3 1180 143 132 PHE HZ H 7.387 0 1 1181 143 132 PHE C C 176.176 0 1 1182 143 132 PHE CA C 56.782 0 1 1183 143 132 PHE CB C 40.807 0 1 1184 143 132 PHE N N 120.8205 0 1 1185 144 133 VAL H H 8.9614 0 1 1186 144 133 VAL HA H 4.19 0 1 1187 144 133 VAL HB H 1.824 0 1 1188 144 133 VAL HG1 H 0.7844 0 2 1189 144 133 VAL HG2 H 0.6619 0 2 1190 144 133 VAL C C 174.267 0 1 1191 144 133 VAL CA C 61.377 0 1 1192 144 133 VAL CB C 33.281 0 1 1193 144 133 VAL CG1 C 21.0216 0 2 1194 144 133 VAL CG2 C 21.8257 0 2 1195 144 133 VAL N N 124.1854 0 1 1196 145 134 HIS H H 8.8101 0 1 1197 145 134 HIS HA H 5.817 0 1 1198 145 134 HIS HB2 H 2.608 0 2 1199 145 134 HIS HB3 H 3.102 0 2 1200 145 134 HIS HD2 H 6.887 0 1 1201 145 134 HIS C C 175.516 0 1 1202 145 134 HIS CA C 53.822 0 1 1203 145 134 HIS CB C 29.604 0 1 1204 145 134 HIS N N 128.0768 0 1 1205 146 135 TYR H H 8.7506 0 1 1206 146 135 TYR HA H 5.067 0 1 1207 146 135 TYR HB2 H 2.382 0 2 1208 146 135 TYR HB3 H 2.707 0 2 1209 146 135 TYR HD1 H 6.526 0 3 1210 146 135 TYR HE1 H 6.431 0 3 1211 146 135 TYR C C 173.187 0 1 1212 146 135 TYR CA C 55.749 0 1 1213 146 135 TYR CB C 42.216 0 1 1214 146 135 TYR N N 120.6639 0 1 1215 147 136 LYS H H 8.7304 0 1 1216 147 136 LYS HA H 4.4 0 1 1217 147 136 LYS HB2 H 1.76 0 2 1218 147 136 LYS HB3 H 1.64 0 2 1219 147 136 LYS HG2 H 1.4 0 2 1220 147 136 LYS HG3 H 1.33 0 2 1221 147 136 LYS HD2 H 1.62 0 2 1222 147 136 LYS HE2 H 2.88 0 2 1223 147 136 LYS CA C 56.852 0 1 1224 147 136 LYS CB C 33.08 0 1 1225 147 136 LYS CG C 24.86 0 1 1226 147 136 LYS CD C 28.87 0 1 1227 147 136 LYS CE C 41.75 0 1 1228 147 136 LYS N N 122.1419 0 1 1229 148 137 ASP HA H 4.928 0 1 1230 148 137 ASP HB2 H 2.526 0 2 1231 148 137 ASP HB3 H 2.676 0 2 1232 148 137 ASP C C 177.702 0 1 1233 148 137 ASP CA C 52.672 0 1 1234 148 137 ASP CB C 42.594 0 1 1235 149 138 ILE H H 9.1707 0 1 1236 149 138 ILE HA H 3.401 0 1 1237 149 138 ILE HB H 1.448 0 1 1238 149 138 ILE HG12 H 0.756 0 2 1239 149 138 ILE HG13 H 0.858 0 2 1240 149 138 ILE HG2 H 0.4858 0 1 1241 149 138 ILE HD1 H 0.0708 0 1 1242 149 138 ILE C C 175.526 0 1 1243 149 138 ILE CA C 62.191 0 1 1244 149 138 ILE CB C 36.335 0 1 1245 149 138 ILE CG1 C 28.79 0 1 1246 149 138 ILE CG2 C 17.7992 0 1 1247 149 138 ILE CD1 C 12.2932 0 1 1248 149 138 ILE N N 129.8742 0 1 1249 150 139 ALA H H 8.0287 0 1 1250 150 139 ALA HA H 3.687 0 1 1251 150 139 ALA HB H 1.3312 0 1 1252 150 139 ALA C C 180.764 0 1 1253 150 139 ALA CA C 54.544 0 1 1254 150 139 ALA CB C 18.1462 0 1 1255 150 139 ALA N N 121.3266 0 1 1256 151 140 LEU H H 7.4493 0 1 1257 151 140 LEU HA H 4.162 0 1 1258 151 140 LEU HB2 H 1.689 0 2 1259 151 140 LEU HB3 H 1.762 0 2 1260 151 140 LEU HG H 1.578 0 1 1261 151 140 LEU HD1 H 0.9175 0 2 1262 151 140 LEU HD2 H 0.8027 0 2 1263 151 140 LEU C C 177.886 0 1 1264 151 140 LEU CA C 55.154 0 1 1265 151 140 LEU CB C 40.78 0 1 1266 151 140 LEU CG C 27.27 0 1 1267 151 140 LEU CD1 C 25.1632 0 2 1268 151 140 LEU CD2 C 22.5865 0 2 1269 151 140 LEU N N 117.0502 0 1 1270 152 141 ALA H H 7.3576 0 1 1271 152 141 ALA HA H 4.561 0 1 1272 152 141 ALA HB H 1.29 0 1 1273 152 141 ALA C C 177.837 0 1 1274 152 141 ALA CA C 51.596 0 1 1275 152 141 ALA CB C 19.2 0 1 1276 152 141 ALA N N 119.2657 0 1 1277 153 142 LYS H H 7.026 0 1 1278 153 142 LYS HA H 3.377 0 1 1279 153 142 LYS HG2 H 0.2364 0 2 1280 153 142 LYS HD2 H 1.22 0 2 1281 153 142 LYS HD3 H 1.27 0 2 1282 153 142 LYS HE2 H 2.6 0 2 1283 153 142 LYS HE3 H 2.484 0 2 1284 153 142 LYS C C 174 0 1 1285 153 142 LYS CA C 62.498 0 1 1286 153 142 LYS CB C 28.87 0 1 1287 153 142 LYS CG C 26.17 0 1 1288 153 142 LYS CD C 29.1 0 1 1289 153 142 LYS CE C 41.3122 0 1 1290 153 142 LYS N N 118.028 0 1 1291 154 143 PRO HA H 4.412 0 1 1292 154 143 PRO HD2 H 3.44 0 2 1293 154 143 PRO HD3 H 3.62 0 2 1294 154 143 PRO C C 180.616 0 1 1295 154 143 PRO CA C 65.67 0 1 1296 154 143 PRO CB C 29.806 0 1 1297 154 143 PRO CG C 28.42 0 1 1298 154 143 PRO CD C 49.8 0 1 1299 155 144 GLN H H 7.3521 0 1 1300 155 144 GLN HA H 4.153 0 1 1301 155 144 GLN HB2 H 2.103 0 2 1302 155 144 GLN HB3 H 2.265 0 2 1303 155 144 GLN HG2 H 2.389 0 2 1304 155 144 GLN HG3 H 2.496 0 2 1305 155 144 GLN C C 179.397 0 1 1306 155 144 GLN CA C 58.682 0 1 1307 155 144 GLN CB C 28.46 0 1 1308 155 144 GLN CG C 35.157 0 1 1309 155 144 GLN N N 117.4848 0 1 1310 156 145 ILE H H 8.2574 0 1 1311 156 145 ILE HA H 3.466 0 1 1312 156 145 ILE HB H 1.949 0 1 1313 156 145 ILE HG12 H 0.61 0 2 1314 156 145 ILE HG13 H 1.724 0 2 1315 156 145 ILE HG2 H 0.9492 0 1 1316 156 145 ILE HD1 H 0.4831 0 1 1317 156 145 ILE C C 177.132 0 1 1318 156 145 ILE CA C 65.968 0 1 1319 156 145 ILE CB C 36.866 0 1 1320 156 145 ILE CG1 C 29.47 0 1 1321 156 145 ILE CG2 C 16.9621 0 1 1322 156 145 ILE CD1 C 14.8062 0 1 1323 156 145 ILE N N 123.718 0 1 1324 157 146 ASP H H 8.1939 0 1 1325 157 146 ASP HA H 4.285 0 1 1326 157 146 ASP HB2 H 2.68 0 2 1327 157 146 ASP C C 179.416 0 1 1328 157 146 ASP CA C 57.8 0 1 1329 157 146 ASP CB C 39.419 0 1 1330 157 146 ASP N N 120.47 0 1 1331 158 147 ALA H H 7.6972 0 1 1332 158 147 ALA HA H 4.049 0 1 1333 158 147 ALA HB H 1.46 0 1 1334 158 147 ALA C C 179.846 0 1 1335 158 147 ALA CA C 54.55 0 1 1336 158 147 ALA CB C 18.3101 0 1 1337 158 147 ALA N N 121.1254 0 1 1338 159 148 ALA H H 8.0485 0 1 1339 159 148 ALA HA H 4.011 0 1 1340 159 148 ALA HB H 1.3819 0 1 1341 159 148 ALA C C 179.225 0 1 1342 159 148 ALA CA C 55.028 0 1 1343 159 148 ALA CB C 19.3469 0 1 1344 159 148 ALA N N 123.2892 0 1 1345 160 149 ILE H H 8.2185 0 1 1346 160 149 ILE HA H 3.383 0 1 1347 160 149 ILE HB H 1.927 0 1 1348 160 149 ILE HG12 H 0.597 0 2 1349 160 149 ILE HG13 H 1.537 0 2 1350 160 149 ILE HG2 H 0.7224 0 1 1351 160 149 ILE HD1 H 0.7623 0 1 1352 160 149 ILE C C 176.668 0 1 1353 160 149 ILE CA C 65.251 0 1 1354 160 149 ILE CB C 37.256 0 1 1355 160 149 ILE CG1 C 29.99 0 1 1356 160 149 ILE CG2 C 17.1408 0 1 1357 160 149 ILE CD1 C 14.9808 0 1 1358 160 149 ILE N N 118.0579 0 1 1359 161 150 ARG H H 7.2536 0 1 1360 161 150 ARG HA H 3.766 0 1 1361 161 150 ARG HB2 H 1.799 0 2 1362 161 150 ARG HB3 H 1.854 0 2 1363 161 150 ARG HG2 H 1.598 0 2 1364 161 150 ARG HG3 H 1.696 0 2 1365 161 150 ARG HD2 H 3.108 0 2 1366 161 150 ARG HD3 H 3.181 0 2 1367 161 150 ARG C C 178.493 0 1 1368 161 150 ARG CA C 58.955 0 1 1369 161 150 ARG CB C 28.979 0 1 1370 161 150 ARG CG C 27.6203 0 1 1371 161 150 ARG CD C 43.2783 0 1 1372 161 150 ARG N N 116.7605 0 1 1373 162 151 LYS H H 7.9051 0 1 1374 162 151 LYS HA H 4.022 0 1 1375 162 151 LYS HB2 H 1.782 0 2 1376 162 151 LYS HB3 H 1.838 0 2 1377 162 151 LYS HG2 H 1.232 0 2 1378 162 151 LYS HG3 H 1.435 0 2 1379 162 151 LYS HD2 H 1.565 0 2 1380 162 151 LYS HD3 H 1.595 0 2 1381 162 151 LYS HE2 H 42.02 0 2 1382 162 151 LYS HE3 H 2.904 0 2 1383 162 151 LYS C C 179.455 0 1 1384 162 151 LYS CA C 59.011 0 1 1385 162 151 LYS CB C 32.5 0 1 1386 162 151 LYS CG C 25.35 0 1 1387 162 151 LYS CD C 29.65 0 1 1388 162 151 LYS N N 117.8985 0 1 1389 163 152 VAL H H 8.4854 0 1 1390 163 152 VAL HA H 3.928 0 1 1391 163 152 VAL HB H 1.964 0 1 1392 163 152 VAL HG1 H 0.9968 0 2 1393 163 152 VAL HG2 H 1.0121 0 2 1394 163 152 VAL C C 176.903 0 1 1395 163 152 VAL CA C 65.31 0 1 1396 163 152 VAL CB C 30.727 0 1 1397 163 152 VAL CG1 C 21.0561 0 2 1398 163 152 VAL CG2 C 23.08 0 2 1399 163 152 VAL N N 119.2929 0 1 1400 164 153 VAL H H 7.7968 0 1 1401 164 153 VAL HA H 3.589 0 1 1402 164 153 VAL HB H 2.027 0 1 1403 164 153 VAL HG1 H 0.8546 0 2 1404 164 153 VAL HG2 H 0.9335 0 2 1405 164 153 VAL C C 178.358 0 1 1406 164 153 VAL CA C 66.312 0 1 1407 164 153 VAL CB C 30.334 0 1 1408 164 153 VAL CG1 C 21.4128 0 2 1409 164 153 VAL CG2 C 23.2516 0 2 1410 164 153 VAL N N 122.06 0 1 1411 165 154 ASP H H 7.6417 0 1 1412 165 154 ASP HA H 4.418 0 1 1413 165 154 ASP HB2 H 2.638 0 2 1414 165 154 ASP HB3 H 2.759 0 2 1415 165 154 ASP C C 178.253 0 1 1416 165 154 ASP CA C 56.833 0 1 1417 165 154 ASP CB C 40.361 0 1 1418 165 154 ASP N N 120.5156 0 1 1419 166 155 ARG H H 7.7303 0 1 1420 166 155 ARG HA H 4.022 0 1 1421 166 155 ARG HB2 H 1.912 0 2 1422 166 155 ARG HG2 H 1.629 0 2 1423 166 155 ARG HG3 H 1.757 0 2 1424 166 155 ARG HD2 H 3.072 0 2 1425 166 155 ARG HD3 H 3.237 0 2 1426 166 155 ARG C C 178.513 0 1 1427 166 155 ARG CA C 58.524 0 1 1428 166 155 ARG CB C 30.62 0 1 1429 166 155 ARG CG C 27.41 0 1 1430 166 155 ARG CD C 44.6 0 1 1431 166 155 ARG N N 118.3268 0 1 1432 167 156 VAL H H 7.5025 0 1 1433 167 156 VAL HA H 3.848 0 1 1434 167 156 VAL HB H 2.036 0 1 1435 167 156 VAL HG1 H 0.9254 0 2 1436 167 156 VAL HG2 H 0.9632 0 2 1437 167 156 VAL C C 177.04 0 1 1438 167 156 VAL CA C 64.155 0 1 1439 167 156 VAL CB C 31.358 0 1 1440 167 156 VAL CG1 C 21.4568 0 2 1441 167 156 VAL CG2 C 22.4042 0 2 1442 167 156 VAL N N 116.8386 0 1 1443 168 157 ASN H H 7.9985 0 1 1444 168 157 ASN HA H 4.61 0 1 1445 168 157 ASN HB2 H 2.68 0 2 1446 168 157 ASN HB3 H 2.77 0 2 1447 168 157 ASN C C 174.944 0 1 1448 168 157 ASN CA C 53.896 0 1 1449 168 157 ASN CB C 38.893 0 1 1450 168 157 ASN N N 118.0718 0 1 1451 169 158 ASN H H 7.9713 0 1 1452 169 158 ASN CA C 51.033 0 1 1453 169 158 ASN CB C 38.737 0 1 1454 169 158 ASN N N 119.1792 0 1 1455 170 159 PRO HA H 4.3677 0 1 1456 170 159 PRO C C 177.028 0 1 1457 170 159 PRO CA C 63.297 0 1 1458 170 159 PRO CB C 31.206 0 1 1459 170 159 PRO CG C 27.2861 0 1 1460 171 160 ALA H H 8.1139 0 1 1461 171 160 ALA C C 177.449 0 1 1462 171 160 ALA CA C 51.808 0 1 1463 171 160 ALA CB C 18.38 0 1 1464 171 160 ALA N N 123.2995 0 1 1465 172 161 ALA H H 7.9536 0 1 1466 172 161 ALA C C 177.535 0 1 1467 172 161 ALA CA C 51.98 0 1 1468 172 161 ALA CB C 18.593 0 1 1469 172 161 ALA N N 123.4475 0 1 1470 173 162 THR H H 7.8211 0 1 1471 173 162 THR HA H 4.238 0 1 1472 173 162 THR HB H 3.724 0 1 1473 173 162 THR HG2 H 1.015 0 1 1474 173 162 THR CA C 58.331 0 1 1475 173 162 THR CB C 70.199 0 1 1476 173 162 THR N N 115.0541 0 1 stop_ save_