data_26947 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments of AIPL1 FKBP in complex with a farnesyl ligand ; _BMRB_accession_number 26947 _BMRB_flat_file_name bmr26947.str _Entry_type original _Submission_date 2016-11-18 _Accession_date 2016-11-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR assignments' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yu Liping . . 2 Yadav Ravi . . 3 Artemyev Nikolai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 563 "13C chemical shifts" 505 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-26 original BMRB . stop_ _Original_release_date 2016-11-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) in complex with a farnesyl ligand ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28236226 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yu Liping . . 2 Yadav Ravi P. . 3 Artemyev Nikolai O. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 111 _Page_last 115 _Year 2017 _Details . loop_ _Keyword AIPL1 FKBP NMR farnesyl geranylgeranyl stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AIPL1 FKBP/FC complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AIPL1 FKBP' $AIPL1_FKBP FC $entity_5U0 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AIPL1_FKBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AIPL1_FKBP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; MGHHHHHHGDAALLLNVEGV KKTILHGGTGELPNFITGSR VIFHFRTMKCDEERTVIDDS RQVGQPMHIIIGNMFKLEVW EILLTSMRVHEVAEFWCDTI HTGVYPILSRSLRQMAQGGG GGGGYEDLDELQKEPQPLVF VIELLQVDAPSD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 MET 2 -6 GLY 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 HIS 8 0 HIS 9 1 GLY 10 2 ASP 11 3 ALA 12 4 ALA 13 5 LEU 14 6 LEU 15 7 LEU 16 8 ASN 17 9 VAL 18 10 GLU 19 11 GLY 20 12 VAL 21 13 LYS 22 14 LYS 23 15 THR 24 16 ILE 25 17 LEU 26 18 HIS 27 19 GLY 28 20 GLY 29 21 THR 30 22 GLY 31 23 GLU 32 24 LEU 33 25 PRO 34 26 ASN 35 27 PHE 36 28 ILE 37 29 THR 38 30 GLY 39 31 SER 40 32 ARG 41 33 VAL 42 34 ILE 43 35 PHE 44 36 HIS 45 37 PHE 46 38 ARG 47 39 THR 48 40 MET 49 41 LYS 50 42 CYS 51 43 ASP 52 44 GLU 53 45 GLU 54 46 ARG 55 47 THR 56 48 VAL 57 49 ILE 58 50 ASP 59 51 ASP 60 52 SER 61 53 ARG 62 54 GLN 63 55 VAL 64 56 GLY 65 57 GLN 66 58 PRO 67 59 MET 68 60 HIS 69 61 ILE 70 62 ILE 71 63 ILE 72 64 GLY 73 65 ASN 74 66 MET 75 67 PHE 76 68 LYS 77 69 LEU 78 70 GLU 79 71 VAL 80 72 TRP 81 73 GLU 82 74 ILE 83 75 LEU 84 76 LEU 85 77 THR 86 78 SER 87 79 MET 88 80 ARG 89 81 VAL 90 82 HIS 91 83 GLU 92 84 VAL 93 85 ALA 94 86 GLU 95 87 PHE 96 88 TRP 97 89 CYS 98 90 ASP 99 91 THR 100 92 ILE 101 93 HIS 102 94 THR 103 95 GLY 104 96 VAL 105 97 TYR 106 98 PRO 107 99 ILE 108 100 LEU 109 101 SER 110 102 ARG 111 103 SER 112 104 LEU 113 105 ARG 114 106 GLN 115 107 MET 116 108 ALA 117 109 GLN 118 110 GLY 119 111 GLY 120 112 GLY 121 113 GLY 122 114 GLY 123 115 GLY 124 133 GLY 125 134 TYR 126 135 GLU 127 136 ASP 128 137 LEU 129 138 ASP 130 139 GLU 131 140 LEU 132 141 GLN 133 142 LYS 134 143 GLU 135 144 PRO 136 145 GLN 137 146 PRO 138 147 LEU 139 148 VAL 140 149 PHE 141 150 VAL 142 151 ILE 143 152 GLU 144 153 LEU 145 154 LEU 146 155 GLN 147 156 VAL 148 157 ASP 149 158 ALA 150 159 PRO 151 160 SER 152 161 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_5U0 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_5U0 (s-farnesyl-l-cysteine methyl ester)" _BMRB_code 5U0 _PDB_code 5U0 _Molecular_mass 339.536 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CAB CAB C . 0 . ? CAA CAA C . 0 . ? CAD CAD C . 0 . ? CAC CAC C . 0 . ? CAE CAE C . 0 . ? CAF CAF C . 0 . ? CAG CAG C . 0 . ? CAI CAI C . 0 . ? CAH CAH C . 0 . ? CAJ CAJ C . 0 . ? CAK CAK C . 0 . ? CAL CAL C . 0 . ? CAN CAN C . 0 . ? CAM CAM C . 0 . ? CAO CAO C . 0 . ? SAP SAP S . 0 . ? CB CB C . 0 . ? CA CA C . 0 . ? N N N . 0 . ? C C C . 0 . ? O O O . 0 . ? OAV OAV O . 0 . ? CAW CAW C . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H14 H14 H . 0 . ? H15 H15 H . 0 . ? H16 H16 H . 0 . ? H17 H17 H . 0 . ? H18 H18 H . 0 . ? H19 H19 H . 0 . ? H20 H20 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H23 H23 H . 0 . ? H24 H24 H . 0 . ? H25 H25 H . 0 . ? H26 H26 H . 0 . ? H27 H27 H . 0 . ? H28 H28 H . 0 . ? H29 H29 H . 0 . ? H30 H30 H . 0 . ? H32 H32 H . 0 . ? H33 H33 H . 0 . ? H34 H34 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING CAD CAA ? ? SING CAB CAA ? ? DOUB CAA CAC ? ? SING CAC CAE ? ? SING CAE CAF ? ? SING CAF CAG ? ? DOUB CAH CAG ? ? SING CAH CAJ ? ? SING CAG CAI ? ? SING CAJ CAK ? ? SING CAK CAL ? ? DOUB CAL CAM ? ? SING CAL CAN ? ? SING CAM CAO ? ? SING CB SAP ? ? SING CB CA ? ? SING SAP CAO ? ? SING N CA ? ? SING CA C ? ? DOUB O C ? ? SING C OAV ? ? SING OAV CAW ? ? SING CAB H1 ? ? SING CAB H2 ? ? SING CAB H3 ? ? SING CAD H4 ? ? SING CAD H5 ? ? SING CAD H6 ? ? SING CAC H7 ? ? SING CAE H8 ? ? SING CAE H9 ? ? SING CAF H10 ? ? SING CAF H11 ? ? SING CAI H12 ? ? SING CAI H13 ? ? SING CAI H14 ? ? SING CAH H15 ? ? SING CAJ H16 ? ? SING CAJ H17 ? ? SING CAK H18 ? ? SING CAK H19 ? ? SING CAN H20 ? ? SING CAN H21 ? ? SING CAN H22 ? ? SING CAM H23 ? ? SING CAO H24 ? ? SING CAO H25 ? ? SING CB H26 ? ? SING CB H27 ? ? SING CA H28 ? ? SING N H29 ? ? SING N H30 ? ? SING CAW H32 ? ? SING CAW H33 ? ? SING CAW H34 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AIPL1_FKBP Human 9606 Eukaryota Metazoa Homo sapiens 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 $AIPL1_FKBP 'recombinant technology' . Escherichia coli . pET15b 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 $AIPL1_FKBP 1.0 mM '[U-100% 13C; U-100% 15N]' $entity_5U0 1.0 mM 'natural abundance' 'Sodium phosphate' 25 mM 'natural abundance' DTT 8 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AIPL1_FKBP 1.0 mM '[U-100% 13C; U-100% 15N]' $entity_5U0 1.0 mM 'natural abundance' 'Sodium phosphate' 25 mM 'natural abundance' DTT 8 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVII _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVII _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C13-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C13-NOESY' _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' 137 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HN(CO)CACB' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '2D 1H-15N HSQC' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D C13-NOESY' 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 'AIPL1 FKBP' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 9 GLY HA2 H 3.8930 0.01 2 2 1 9 GLY HA3 H 3.8930 0.01 2 3 1 9 GLY C C 173.8850 0.1 1 4 1 9 GLY CA C 45.3680 0.1 1 5 2 10 ASP H H 8.2940 0.01 1 6 2 10 ASP HA H 4.5610 0.01 1 7 2 10 ASP HB2 H 2.6510 0.01 2 8 2 10 ASP HB3 H 2.6510 0.01 2 9 2 10 ASP C C 176.6800 0.1 1 10 2 10 ASP CA C 54.8650 0.1 1 11 2 10 ASP CB C 41.2000 0.1 1 12 2 10 ASP N N 120.6590 0.1 1 13 3 11 ALA H H 8.2630 0.01 1 14 3 11 ALA HA H 4.2100 0.01 1 15 3 11 ALA HB H 1.3610 0.01 1 16 3 11 ALA C C 177.8220 0.1 1 17 3 11 ALA CA C 53.3390 0.1 1 18 3 11 ALA CB C 19.1650 0.1 1 19 3 11 ALA N N 124.7940 0.1 1 20 4 12 ALA H H 8.1940 0.01 1 21 4 12 ALA HA H 4.3380 0.01 1 22 4 12 ALA HB H 1.3930 0.01 1 23 4 12 ALA C C 177.7070 0.1 1 24 4 12 ALA CA C 52.8700 0.1 1 25 4 12 ALA CB C 19.2820 0.1 1 26 4 12 ALA N N 121.4050 0.1 1 27 5 13 LEU H H 7.9460 0.01 1 28 5 13 LEU HA H 4.3230 0.01 1 29 5 13 LEU HB2 H 1.6290 0.01 2 30 5 13 LEU HB3 H 1.6290 0.01 2 31 5 13 LEU HG H 1.5910 0.01 1 32 5 13 LEU HD1 H 0.8580 0.01 2 33 5 13 LEU HD2 H 0.8580 0.01 2 34 5 13 LEU C C 177.1260 0.1 1 35 5 13 LEU CA C 55.2510 0.1 1 36 5 13 LEU CB C 42.2740 0.1 1 37 5 13 LEU CG C 27.4600 0.1 1 38 5 13 LEU CD1 C 23.0960 0.1 2 39 5 13 LEU CD2 C 25.3800 0.1 2 40 5 13 LEU N N 118.9060 0.1 1 41 6 14 LEU H H 8.0520 0.01 1 42 6 14 LEU HA H 4.2470 0.01 1 43 6 14 LEU HB2 H 1.6130 0.01 2 44 6 14 LEU HB3 H 1.6130 0.01 2 45 6 14 LEU HD1 H 0.8790 0.01 2 46 6 14 LEU HD2 H 0.8790 0.01 2 47 6 14 LEU C C 176.7250 0.1 1 48 6 14 LEU CA C 55.2640 0.1 1 49 6 14 LEU CB C 41.5500 0.1 1 50 6 14 LEU CD1 C 24.3600 0.1 2 51 6 14 LEU CD2 C 26.0550 0.1 2 52 6 14 LEU N N 120.2960 0.1 1 53 7 15 LEU H H 8.1130 0.01 1 54 7 15 LEU HA H 4.2680 0.01 1 55 7 15 LEU HB2 H 1.5770 0.01 2 56 7 15 LEU HB3 H 1.5770 0.01 2 57 7 15 LEU HD1 H 0.8790 0.01 2 58 7 15 LEU HD2 H 0.8790 0.01 2 59 7 15 LEU C C 176.8050 0.1 1 60 7 15 LEU CA C 55.5090 0.1 1 61 7 15 LEU CB C 42.5470 0.1 1 62 7 15 LEU CG C 27.0470 0.1 1 63 7 15 LEU CD1 C 24.5510 0.1 2 64 7 15 LEU CD2 C 24.5510 0.1 2 65 7 15 LEU N N 120.5280 0.1 1 66 8 16 ASN H H 8.5740 0.01 1 67 8 16 ASN HA H 4.7200 0.01 1 68 8 16 ASN HB2 H 2.6950 0.01 2 69 8 16 ASN HB3 H 2.8470 0.01 2 70 8 16 ASN C C 174.0150 0.1 1 71 8 16 ASN CA C 53.4060 0.1 1 72 8 16 ASN CB C 38.0120 0.1 1 73 8 16 ASN N N 118.3420 0.1 1 74 9 17 VAL H H 7.8760 0.01 1 75 9 17 VAL HA H 4.1670 0.01 1 76 9 17 VAL HB H 1.8890 0.01 1 77 9 17 VAL HG1 H 0.7830 0.01 2 78 9 17 VAL HG2 H 0.7830 0.01 2 79 9 17 VAL C C 174.6890 0.1 1 80 9 17 VAL CA C 61.2610 0.1 1 81 9 17 VAL CB C 33.4460 0.1 1 82 9 17 VAL CG1 C 21.1620 0.1 2 83 9 17 VAL CG2 C 21.1620 0.1 2 84 9 17 VAL N N 120.6220 0.1 1 85 10 18 GLU H H 8.6720 0.01 1 86 10 18 GLU HA H 4.3200 0.01 1 87 10 18 GLU C C 178.2050 0.1 1 88 10 18 GLU CA C 57.2390 0.1 1 89 10 18 GLU CB C 30.0030 0.1 1 90 10 18 GLU N N 127.2920 0.1 1 91 11 19 GLY HA2 H 4.0940 0.01 2 92 11 19 GLY HA3 H 4.2460 0.01 2 93 11 19 GLY C C 172.2290 0.1 1 94 11 19 GLY CA C 46.9060 0.1 1 95 12 20 VAL H H 7.6660 0.01 1 96 12 20 VAL HA H 5.6430 0.01 1 97 12 20 VAL HB H 1.8680 0.01 1 98 12 20 VAL HG1 H 0.6860 0.01 2 99 12 20 VAL HG2 H 0.9690 0.01 2 100 12 20 VAL C C 175.6310 0.1 1 101 12 20 VAL CA C 60.7600 0.1 1 102 12 20 VAL CB C 35.4420 0.1 1 103 12 20 VAL CG1 C 21.9060 0.1 2 104 12 20 VAL CG2 C 22.1100 0.1 2 105 12 20 VAL N N 116.6800 0.1 1 106 13 21 LYS H H 9.5220 0.01 1 107 13 21 LYS HA H 4.9220 0.01 1 108 13 21 LYS HB2 H 1.9410 0.01 2 109 13 21 LYS HB3 H 1.9410 0.01 2 110 13 21 LYS HG2 H 1.3900 0.01 2 111 13 21 LYS HG3 H 1.3900 0.01 2 112 13 21 LYS HD2 H 1.5170 0.01 2 113 13 21 LYS HD3 H 1.5170 0.01 2 114 13 21 LYS HE2 H 2.7100 0.01 2 115 13 21 LYS HE3 H 2.7100 0.01 2 116 13 21 LYS C C 174.8650 0.1 1 117 13 21 LYS CA C 55.2790 0.1 1 118 13 21 LYS CB C 36.0230 0.1 1 119 13 21 LYS CG C 24.9850 0.1 1 120 13 21 LYS CD C 29.4800 0.1 1 121 13 21 LYS CE C 41.9610 0.1 1 122 13 21 LYS N N 126.5280 0.1 1 123 14 22 LYS H H 9.2260 0.01 1 124 14 22 LYS HA H 5.0100 0.01 1 125 14 22 LYS HB2 H 1.4340 0.01 2 126 14 22 LYS HB3 H 1.7530 0.01 2 127 14 22 LYS HG2 H 1.5000 0.01 2 128 14 22 LYS HG3 H 1.5000 0.01 2 129 14 22 LYS HE2 H 3.1900 0.01 2 130 14 22 LYS HE3 H 3.1900 0.01 2 131 14 22 LYS C C 175.0590 0.1 1 132 14 22 LYS CA C 55.1980 0.1 1 133 14 22 LYS CB C 36.2120 0.1 1 134 14 22 LYS CG C 26.4360 0.1 1 135 14 22 LYS CE C 43.5470 0.1 1 136 14 22 LYS N N 128.0620 0.1 1 137 15 23 THR H H 9.1240 0.01 1 138 15 23 THR HA H 4.3770 0.01 1 139 15 23 THR HB H 3.8350 0.01 1 140 15 23 THR HG2 H 1.0400 0.01 1 141 15 23 THR C C 173.5350 0.1 1 142 15 23 THR CA C 61.7420 0.1 1 143 15 23 THR CB C 71.4010 0.1 1 144 15 23 THR CG2 C 20.9930 0.1 1 145 15 23 THR N N 124.3680 0.1 1 146 16 24 ILE H H 9.1160 0.01 1 147 16 24 ILE HA H 3.8060 0.01 1 148 16 24 ILE HB H 1.7000 0.01 1 149 16 24 ILE HG12 H 1.7060 0.01 2 150 16 24 ILE HG13 H 1.7060 0.01 2 151 16 24 ILE HG2 H 0.7460 0.01 1 152 16 24 ILE HD1 H 0.8320 0.01 1 153 16 24 ILE C C 175.1780 0.1 1 154 16 24 ILE CA C 63.6700 0.1 1 155 16 24 ILE CB C 37.6850 0.1 1 156 16 24 ILE CG1 C 29.7100 0.1 1 157 16 24 ILE CG2 C 16.9180 0.1 1 158 16 24 ILE CD1 C 12.6940 0.1 1 159 16 24 ILE N N 127.8570 0.1 1 160 17 25 LEU H H 8.9250 0.01 1 161 17 25 LEU HA H 4.3380 0.01 1 162 17 25 LEU HB2 H 1.4240 0.01 2 163 17 25 LEU HB3 H 1.4240 0.01 2 164 17 25 LEU HD1 H 0.8860 0.01 2 165 17 25 LEU HD2 H 0.6950 0.01 2 166 17 25 LEU C C 177.2120 0.1 1 167 17 25 LEU CA C 55.8510 0.1 1 168 17 25 LEU CB C 42.0230 0.1 1 169 17 25 LEU CD1 C 26.1250 0.1 2 170 17 25 LEU CD2 C 21.7650 0.1 2 171 17 25 LEU N N 129.5280 0.1 1 172 18 26 HIS H H 8.1460 0.01 1 173 18 26 HIS HA H 4.6370 0.01 1 174 18 26 HIS HB2 H 2.9770 0.01 2 175 18 26 HIS HB3 H 2.9770 0.01 2 176 18 26 HIS C C 174.3650 0.1 1 177 18 26 HIS CA C 55.8890 0.1 1 178 18 26 HIS CB C 33.0320 0.1 1 179 18 26 HIS N N 118.5620 0.1 1 180 19 27 GLY H H 8.6470 0.01 1 181 19 27 GLY HA2 H 3.6830 0.01 2 182 19 27 GLY HA3 H 3.9870 0.01 2 183 19 27 GLY C C 174.4670 0.1 1 184 19 27 GLY CA C 45.5220 0.1 1 185 19 27 GLY N N 113.4700 0.1 1 186 20 28 GLY H H 9.4550 0.01 1 187 20 28 GLY HA2 H 3.6310 0.01 2 188 20 28 GLY HA3 H 4.2750 0.01 2 189 20 28 GLY C C 173.1890 0.1 1 190 20 28 GLY CA C 44.3070 0.1 1 191 20 28 GLY N N 109.7030 0.1 1 192 21 29 THR H H 8.5210 0.01 1 193 21 29 THR HA H 4.6000 0.01 1 194 21 29 THR HB H 4.1430 0.01 1 195 21 29 THR HG2 H 1.1800 0.01 1 196 21 29 THR C C 174.5450 0.1 1 197 21 29 THR CA C 60.8810 0.1 1 198 21 29 THR CB C 70.9730 0.1 1 199 21 29 THR CG2 C 21.4220 0.1 1 200 21 29 THR N N 111.7350 0.1 1 201 22 30 GLY H H 8.5790 0.01 1 202 22 30 GLY HA2 H 3.8830 0.01 2 203 22 30 GLY HA3 H 4.0700 0.01 2 204 22 30 GLY C C 173.7900 0.1 1 205 22 30 GLY CA C 44.8480 0.1 1 206 22 30 GLY N N 110.5620 0.1 1 207 23 31 GLU H H 8.3260 0.01 1 208 23 31 GLU HA H 4.3400 0.01 1 209 23 31 GLU HB2 H 1.7560 0.01 2 210 23 31 GLU HB3 H 2.0480 0.01 2 211 23 31 GLU C C 176.6490 0.1 1 212 23 31 GLU CA C 55.3830 0.1 1 213 23 31 GLU CB C 30.7270 0.1 1 214 23 31 GLU CG C 36.1060 0.1 1 215 23 31 GLU N N 119.1060 0.1 1 216 24 32 LEU H H 8.7380 0.01 1 217 24 32 LEU HA H 4.3100 0.01 1 218 24 32 LEU HB2 H 1.4580 0.01 2 219 24 32 LEU HD1 H 0.8900 0.01 2 220 24 32 LEU HD2 H 0.8900 0.01 2 221 24 32 LEU C C 175.2760 0.1 1 222 24 32 LEU CA C 54.5920 0.1 1 223 24 32 LEU CB C 41.8840 0.1 1 224 24 32 LEU CD1 C 25.0200 0.1 2 225 24 32 LEU CD2 C 25.0200 0.1 2 226 24 32 LEU N N 125.4160 0.1 1 227 26 34 ASN HA H 4.6580 0.01 1 228 26 34 ASN HB2 H 2.5220 0.01 2 229 26 34 ASN HB3 H 2.6850 0.01 2 230 26 34 ASN C C 174.2610 0.1 1 231 26 34 ASN CA C 51.6210 0.1 1 232 26 34 ASN CB C 37.8830 0.1 1 233 27 35 PHE H H 7.8760 0.01 1 234 27 35 PHE HA H 4.1640 0.01 1 235 27 35 PHE HB2 H 2.6730 0.01 2 236 27 35 PHE HB3 H 2.8570 0.01 2 237 27 35 PHE C C 174.2610 0.1 1 238 27 35 PHE CA C 58.7310 0.1 1 239 27 35 PHE CB C 38.9040 0.1 1 240 27 35 PHE N N 123.0360 0.1 1 241 28 36 ILE HA H 4.6200 0.01 1 242 28 36 ILE HB H 1.8870 0.01 1 243 28 36 ILE HG12 H 1.1970 0.01 2 244 28 36 ILE HG13 H 1.1970 0.01 2 245 28 36 ILE HG2 H 0.7990 0.01 1 246 28 36 ILE HD1 H 0.7930 0.01 1 247 28 36 ILE CA C 59.4100 0.1 1 248 28 36 ILE CB C 42.4960 0.1 1 249 28 36 ILE CG1 C 25.3010 0.1 1 250 28 36 ILE CG2 C 17.8870 0.1 1 251 28 36 ILE CD1 C 14.0090 0.1 1 252 29 37 THR HA H 3.5460 0.01 1 253 29 37 THR HB H 3.9210 0.01 1 254 29 37 THR HG2 H 1.2100 0.01 1 255 29 37 THR C C 174.6640 0.1 1 256 29 37 THR CA C 65.7850 0.1 1 257 29 37 THR CB C 69.3980 0.1 1 258 29 37 THR CG2 C 22.6720 0.1 1 259 30 38 GLY H H 9.0760 0.01 1 260 30 38 GLY HA2 H 3.5150 0.01 2 261 30 38 GLY HA3 H 4.3970 0.01 2 262 30 38 GLY C C 174.8330 0.1 1 263 30 38 GLY CA C 44.9740 0.1 1 264 30 38 GLY N N 115.1790 0.1 1 265 31 39 SER H H 8.6070 0.01 1 266 31 39 SER HA H 4.3910 0.01 1 267 31 39 SER HB2 H 3.8240 0.01 2 268 31 39 SER HB3 H 3.8230 0.01 2 269 31 39 SER C C 171.9230 0.1 1 270 31 39 SER CA C 62.0940 0.1 1 271 31 39 SER CB C 63.4830 0.1 1 272 31 39 SER N N 118.7040 0.1 1 273 32 40 ARG H H 8.6450 0.01 1 274 32 40 ARG HA H 5.1340 0.01 1 275 32 40 ARG HB2 H 1.7470 0.01 2 276 32 40 ARG HB3 H 1.9030 0.01 2 277 32 40 ARG HG2 H 1.3400 0.01 2 278 32 40 ARG HG3 H 1.5400 0.01 2 279 32 40 ARG HD2 H 3.0840 0.01 2 280 32 40 ARG HD3 H 3.1740 0.01 2 281 32 40 ARG C C 174.7820 0.1 1 282 32 40 ARG CA C 54.9740 0.1 1 283 32 40 ARG CB C 32.4110 0.1 1 284 32 40 ARG CG C 27.8500 0.1 1 285 32 40 ARG CD C 43.3850 0.1 1 286 32 40 ARG N N 124.6990 0.1 1 287 33 41 VAL H H 9.2900 0.01 1 288 33 41 VAL HA H 4.6680 0.01 1 289 33 41 VAL HB H 2.1100 0.01 1 290 33 41 VAL HG1 H 1.0000 0.01 2 291 33 41 VAL HG2 H 1.0200 0.01 2 292 33 41 VAL C C 174.2210 0.1 1 293 33 41 VAL CA C 61.9820 0.1 1 294 33 41 VAL CB C 33.4380 0.1 1 295 33 41 VAL CG1 C 23.8420 0.1 2 296 33 41 VAL CG2 C 21.6660 0.1 2 297 33 41 VAL N N 127.0130 0.1 1 298 34 42 ILE H H 8.7540 0.01 1 299 34 42 ILE HA H 5.2540 0.01 1 300 34 42 ILE HB H 1.6610 0.01 1 301 34 42 ILE HG12 H 1.6590 0.01 2 302 34 42 ILE HG13 H 1.6590 0.01 2 303 34 42 ILE HG2 H 0.6880 0.01 1 304 34 42 ILE HD1 H 0.5720 0.01 1 305 34 42 ILE C C 176.0790 0.1 1 306 34 42 ILE CA C 60.7000 0.1 1 307 34 42 ILE CB C 39.5740 0.1 1 308 34 42 ILE CG1 C 27.4100 0.1 1 309 34 42 ILE CG2 C 17.9470 0.1 1 310 34 42 ILE CD1 C 13.4990 0.1 1 311 34 42 ILE N N 126.9140 0.1 1 312 35 43 PHE H H 8.9770 0.01 1 313 35 43 PHE HA H 5.5440 0.01 1 314 35 43 PHE HB2 H 2.9360 0.01 2 315 35 43 PHE HB3 H 3.2030 0.01 2 316 35 43 PHE C C 172.2920 0.1 1 317 35 43 PHE CA C 56.2760 0.1 1 318 35 43 PHE CB C 41.5760 0.1 1 319 35 43 PHE N N 123.2760 0.1 1 320 36 44 HIS H H 8.8510 0.01 1 321 36 44 HIS HA H 5.4600 0.01 1 322 36 44 HIS HB2 H 2.8100 0.01 2 323 36 44 HIS HB3 H 3.0690 0.01 2 324 36 44 HIS C C 176.0700 0.1 1 325 36 44 HIS CA C 54.7640 0.1 1 326 36 44 HIS CB C 35.6530 0.1 1 327 36 44 HIS N N 118.3320 0.1 1 328 37 45 PHE H H 9.8680 0.01 1 329 37 45 PHE HA H 6.1840 0.01 1 330 37 45 PHE HB2 H 3.2500 0.01 2 331 37 45 PHE HB3 H 3.0860 0.01 2 332 37 45 PHE C C 171.6770 0.1 1 333 37 45 PHE CA C 56.2520 0.1 1 334 37 45 PHE CB C 44.5440 0.1 1 335 37 45 PHE N N 117.3360 0.1 1 336 38 46 ARG H H 8.8760 0.01 1 337 38 46 ARG HA H 5.0200 0.01 1 338 38 46 ARG HB2 H 1.8410 0.01 2 339 38 46 ARG HB3 H 1.8410 0.01 2 340 38 46 ARG C C 174.2870 0.1 1 341 38 46 ARG CA C 54.7930 0.1 1 342 38 46 ARG CB C 34.7700 0.1 1 343 38 46 ARG CD C 44.3500 0.1 1 344 38 46 ARG N N 121.5440 0.1 1 345 39 47 THR H H 9.1750 0.01 1 346 39 47 THR HA H 4.9990 0.01 1 347 39 47 THR HB H 4.0090 0.01 1 348 39 47 THR HG2 H 0.5000 0.01 1 349 39 47 THR C C 174.4310 0.1 1 350 39 47 THR CA C 61.0720 0.1 1 351 39 47 THR CB C 70.6360 0.1 1 352 39 47 THR CG2 C 23.9050 0.1 1 353 39 47 THR N N 123.8310 0.1 1 354 40 48 MET H H 9.6830 0.01 1 355 40 48 MET HA H 5.2990 0.01 1 356 40 48 MET HB2 H 1.6350 0.01 2 357 40 48 MET HB3 H 1.9480 0.01 2 358 40 48 MET HG2 H 2.0540 0.01 2 359 40 48 MET HG3 H 2.6250 0.01 2 360 40 48 MET HE H 1.9260 0.01 1 361 40 48 MET C C 174.6990 0.1 1 362 40 48 MET CA C 53.8490 0.1 1 363 40 48 MET CB C 36.9710 0.1 1 364 40 48 MET CG C 32.1740 0.1 1 365 40 48 MET CE C 17.0560 0.1 1 366 40 48 MET N N 127.3450 0.1 1 367 41 49 LYS H H 8.4400 0.01 1 368 41 49 LYS HA H 4.2860 0.01 1 369 41 49 LYS HB2 H 1.7610 0.01 2 370 41 49 LYS HB3 H 1.7610 0.01 2 371 41 49 LYS C C 176.0670 0.1 1 372 41 49 LYS CA C 56.5710 0.1 1 373 41 49 LYS CB C 34.3350 0.1 1 374 41 49 LYS CG C 26.6680 0.1 1 375 41 49 LYS CD C 29.4050 0.1 1 376 41 49 LYS CE C 41.7180 0.1 1 377 41 49 LYS N N 117.5960 0.1 1 378 42 50 CYS H H 8.8360 0.01 1 379 42 50 CYS HA H 4.6000 0.01 1 380 42 50 CYS HB2 H 2.6720 0.01 2 381 42 50 CYS HB3 H 3.1400 0.01 2 382 42 50 CYS C C 175.3700 0.1 1 383 42 50 CYS CA C 57.9580 0.1 1 384 42 50 CYS CB C 26.1970 0.1 1 385 42 50 CYS N N 118.4450 0.1 1 386 43 51 ASP H H 7.9400 0.01 1 387 43 51 ASP HA H 4.6640 0.01 1 388 43 51 ASP HB2 H 2.7380 0.01 2 389 43 51 ASP HB3 H 3.1030 0.01 2 390 43 51 ASP C C 177.1350 0.1 1 391 43 51 ASP CA C 51.8420 0.1 1 392 43 51 ASP CB C 40.4530 0.1 1 393 43 51 ASP N N 118.9270 0.1 1 394 44 52 GLU H H 8.7490 0.01 1 395 44 52 GLU HA H 3.8920 0.01 1 396 44 52 GLU HB2 H 1.9870 0.01 2 397 44 52 GLU HB3 H 1.9870 0.01 2 398 44 52 GLU C C 178.4300 0.1 1 399 44 52 GLU CA C 60.1100 0.1 1 400 44 52 GLU CB C 29.3460 0.1 1 401 44 52 GLU CG C 36.5830 0.1 1 402 44 52 GLU N N 121.3840 0.1 1 403 45 53 GLU H H 8.1060 0.01 1 404 45 53 GLU HA H 4.0520 0.01 1 405 45 53 GLU HB2 H 1.7610 0.01 2 406 45 53 GLU HB3 H 2.0260 0.01 2 407 45 53 GLU C C 175.2300 0.1 1 408 45 53 GLU CA C 56.6180 0.1 1 409 45 53 GLU CB C 29.5010 0.1 1 410 45 53 GLU CG C 36.9410 0.1 1 411 45 53 GLU N N 114.6100 0.1 1 412 46 54 ARG H H 7.8130 0.01 1 413 46 54 ARG HA H 4.1020 0.01 1 414 46 54 ARG HB2 H 1.6270 0.01 2 415 46 54 ARG HB3 H 1.9210 0.01 2 416 46 54 ARG C C 175.4990 0.1 1 417 46 54 ARG CA C 55.9700 0.1 1 418 46 54 ARG CB C 27.5010 0.1 1 419 46 54 ARG CD C 44.1590 0.1 1 420 46 54 ARG N N 121.3630 0.1 1 421 47 55 THR H H 9.4640 0.01 1 422 47 55 THR HA H 3.5790 0.01 1 423 47 55 THR HB H 3.6870 0.01 1 424 47 55 THR HG2 H 1.0800 0.01 1 425 47 55 THR C C 175.2300 0.1 1 426 47 55 THR CA C 65.1230 0.1 1 427 47 55 THR CB C 69.0460 0.1 1 428 47 55 THR CG2 C 21.3310 0.1 1 429 47 55 THR N N 118.3260 0.1 1 430 48 56 VAL H H 8.5330 0.01 1 431 48 56 VAL HA H 4.0810 0.01 1 432 48 56 VAL HB H 2.0130 0.01 1 433 48 56 VAL HG1 H 1.0540 0.01 2 434 48 56 VAL HG2 H 0.8560 0.01 2 435 48 56 VAL C C 176.1490 0.1 1 436 48 56 VAL CA C 63.2360 0.1 1 437 48 56 VAL CB C 32.5340 0.1 1 438 48 56 VAL CG1 C 23.1040 0.1 2 439 48 56 VAL CG2 C 21.5840 0.1 2 440 48 56 VAL N N 127.3420 0.1 1 441 49 57 ILE H H 9.1610 0.01 1 442 49 57 ILE HA H 4.0980 0.01 1 443 49 57 ILE HB H 1.5250 0.01 1 444 49 57 ILE HG12 H 1.5160 0.01 2 445 49 57 ILE HG13 H 1.5160 0.01 2 446 49 57 ILE HG2 H 0.9150 0.01 1 447 49 57 ILE HD1 H 0.6290 0.01 1 448 49 57 ILE C C 174.8280 0.1 1 449 49 57 ILE CA C 61.4890 0.1 1 450 49 57 ILE CB C 38.4710 0.1 1 451 49 57 ILE CG1 C 26.6950 0.1 1 452 49 57 ILE CG2 C 17.5180 0.1 1 453 49 57 ILE CD1 C 12.2620 0.1 1 454 49 57 ILE N N 127.6050 0.1 1 455 50 58 ASP H H 7.2360 0.01 1 456 50 58 ASP HA H 5.0200 0.01 1 457 50 58 ASP HB2 H 2.4950 0.01 2 458 50 58 ASP HB3 H 2.4950 0.01 2 459 50 58 ASP C C 174.3470 0.1 1 460 50 58 ASP CA C 54.2070 0.1 1 461 50 58 ASP CB C 46.4070 0.1 1 462 50 58 ASP N N 114.4160 0.1 1 463 51 59 ASP H H 8.5360 0.01 1 464 51 59 ASP HA H 4.9750 0.01 1 465 51 59 ASP HB2 H 2.4760 0.01 2 466 51 59 ASP HB3 H 2.7490 0.01 2 467 51 59 ASP C C 177.2970 0.1 1 468 51 59 ASP CA C 53.6210 0.1 1 469 51 59 ASP CB C 43.0110 0.1 1 470 51 59 ASP N N 118.3490 0.1 1 471 52 60 SER H H 9.0690 0.01 1 472 52 60 SER HA H 3.9700 0.01 1 473 52 60 SER HB2 H 3.5760 0.01 2 474 52 60 SER HB3 H 4.6420 0.01 2 475 52 60 SER C C 176.6930 0.1 1 476 52 60 SER CA C 62.6680 0.1 1 477 52 60 SER CB C 61.4280 0.1 1 478 52 60 SER N N 123.9800 0.1 1 479 53 61 ARG H H 8.3920 0.01 1 480 53 61 ARG HA H 3.6040 0.01 1 481 53 61 ARG HB2 H 1.5290 0.01 2 482 53 61 ARG HB3 H 1.5290 0.01 2 483 53 61 ARG C C 179.2580 0.1 1 484 53 61 ARG CA C 59.2690 0.1 1 485 53 61 ARG CB C 29.2610 0.1 1 486 53 61 ARG CD C 43.0590 0.1 1 487 53 61 ARG N N 122.6970 0.1 1 488 54 62 GLN H H 7.4780 0.01 1 489 54 62 GLN HA H 3.9970 0.01 1 490 54 62 GLN HB2 H 2.1030 0.01 2 491 54 62 GLN HB3 H 2.2380 0.01 2 492 54 62 GLN C C 177.6110 0.1 1 493 54 62 GLN CA C 57.9560 0.1 1 494 54 62 GLN CB C 28.3340 0.1 1 495 54 62 GLN CG C 33.9290 0.1 1 496 54 62 GLN N N 118.7920 0.1 1 497 55 63 VAL H H 7.4450 0.01 1 498 55 63 VAL HA H 3.9350 0.01 1 499 55 63 VAL HB H 2.2880 0.01 1 500 55 63 VAL HG1 H 0.9830 0.01 2 501 55 63 VAL HG2 H 1.0470 0.01 2 502 55 63 VAL C C 177.4350 0.1 1 503 55 63 VAL CA C 64.2610 0.1 1 504 55 63 VAL CB C 31.8520 0.1 1 505 55 63 VAL CG1 C 21.8200 0.1 2 506 55 63 VAL CG2 C 21.8200 0.1 2 507 55 63 VAL N N 116.7910 0.1 1 508 56 64 GLY H H 7.7630 0.01 1 509 56 64 GLY HA2 H 3.6330 0.01 2 510 56 64 GLY HA3 H 4.3260 0.01 2 511 56 64 GLY C C 173.6150 0.1 1 512 56 64 GLY CA C 45.5400 0.1 1 513 56 64 GLY N N 105.4780 0.1 1 514 57 65 GLN H H 7.5110 0.01 1 515 57 65 GLN HA H 4.8500 0.01 1 516 57 65 GLN C C 171.5180 0.1 1 517 57 65 GLN CA C 52.6180 0.1 1 518 57 65 GLN CB C 30.6340 0.1 1 519 57 65 GLN N N 118.3270 0.1 1 520 58 66 PRO HA H 3.9110 0.01 1 521 58 66 PRO HB2 H 0.8440 0.01 2 522 58 66 PRO HB3 H 1.4190 0.01 2 523 58 66 PRO C C 175.8550 0.1 1 524 58 66 PRO CA C 62.0780 0.1 1 525 58 66 PRO CB C 31.7310 0.1 1 526 58 66 PRO CG C 26.4960 0.1 1 527 58 66 PRO CD C 49.9040 0.1 1 528 59 67 MET H H 8.1950 0.01 1 529 59 67 MET HA H 4.4520 0.01 1 530 59 67 MET HB2 H 0.9980 0.01 2 531 59 67 MET HB3 H 1.0870 0.01 2 532 59 67 MET HG2 H 2.1950 0.01 2 533 59 67 MET HG3 H 2.3703 0.01 2 534 59 67 MET HE H 1.9860 0.01 1 535 59 67 MET C C 173.8030 0.1 1 536 59 67 MET CA C 52.9690 0.1 1 537 59 67 MET CB C 33.3570 0.1 1 538 59 67 MET CG C 33.8370 0.1 1 539 59 67 MET CE C 18.1760 0.1 1 540 59 67 MET N N 119.6890 0.1 1 541 60 68 HIS H H 7.6790 0.01 1 542 60 68 HIS HA H 5.7920 0.01 1 543 60 68 HIS HB2 H 2.8870 0.01 2 544 60 68 HIS HB3 H 2.8140 0.01 2 545 60 68 HIS C C 174.8670 0.1 1 546 60 68 HIS CA C 54.7930 0.1 1 547 60 68 HIS CB C 33.5760 0.1 1 548 60 68 HIS N N 117.3340 0.1 1 549 61 69 ILE H H 8.8320 0.01 1 550 61 69 ILE HA H 4.6780 0.01 1 551 61 69 ILE HB H 2.1660 0.01 1 552 61 69 ILE HG12 H 2.1900 0.01 2 553 61 69 ILE HG13 H 2.1900 0.01 2 554 61 69 ILE HG2 H 0.9000 0.01 1 555 61 69 ILE HD1 H 0.8210 0.01 1 556 61 69 ILE C C 173.8710 0.1 1 557 61 69 ILE CA C 58.5720 0.1 1 558 61 69 ILE CB C 42.9010 0.1 1 559 61 69 ILE CG2 C 20.5360 0.1 1 560 61 69 ILE CD1 C 15.0190 0.1 1 561 61 69 ILE N N 114.4600 0.1 1 562 62 70 ILE H H 8.5420 0.01 1 563 62 70 ILE HA H 5.0310 0.01 1 564 62 70 ILE HB H 1.7740 0.01 1 565 62 70 ILE HG12 H 1.4920 0.01 2 566 62 70 ILE HG13 H 1.7430 0.01 2 567 62 70 ILE HG2 H 0.7560 0.01 1 568 62 70 ILE HD1 H 0.8240 0.01 1 569 62 70 ILE C C 177.0550 0.1 1 570 62 70 ILE CA C 58.5150 0.1 1 571 62 70 ILE CB C 38.8790 0.1 1 572 62 70 ILE CG1 C 24.6250 0.1 1 573 62 70 ILE CG2 C 17.1310 0.1 1 574 62 70 ILE CD1 C 11.9420 0.1 1 575 62 70 ILE N N 123.0110 0.1 1 576 63 71 ILE H H 8.6290 0.01 1 577 63 71 ILE HA H 4.1140 0.01 1 578 63 71 ILE HB H 2.1550 0.01 1 579 63 71 ILE HG12 H 1.3130 0.01 2 580 63 71 ILE HG13 H 1.3170 0.01 2 581 63 71 ILE HG2 H 0.5730 0.01 1 582 63 71 ILE HD1 H 0.5490 0.01 1 583 63 71 ILE C C 178.0530 0.1 1 584 63 71 ILE CA C 60.1040 0.1 1 585 63 71 ILE CB C 35.9810 0.1 1 586 63 71 ILE CG1 C 27.2430 0.1 1 587 63 71 ILE CG2 C 16.7400 0.1 1 588 63 71 ILE CD1 C 10.1390 0.1 1 589 63 71 ILE N N 127.6620 0.1 1 590 69 77 LEU HD1 H 0.5695 0.01 2 591 69 77 LEU HD2 H 0.5411 0.01 2 592 69 77 LEU CD1 C 23.7543 0.1 2 593 69 77 LEU CD2 C 26.4700 0.1 2 594 75 83 LEU HD1 H 0.1666 0.01 2 595 75 83 LEU HD2 H 0.0730 0.01 2 596 75 83 LEU CD1 C 21.6741 0.1 2 597 75 83 LEU CD2 C 23.9611 0.1 2 598 76 84 LEU HA H 3.5570 0.01 1 599 76 84 LEU HB2 H 0.91 0.01 2 600 76 84 LEU HB3 H 1.356 0.01 2 601 76 84 LEU HD1 H 0.011 0.01 2 602 76 84 LEU HD2 H 0.121 0.01 2 603 76 84 LEU C C 177.1620 0.1 1 604 76 84 LEU CA C 58.3060 0.1 1 605 76 84 LEU CB C 42.5470 0.1 1 606 76 84 LEU CD1 C 22.688 0.1 2 607 76 84 LEU CD2 C 25.787 0.1 2 608 77 85 THR H H 7.3680 0.01 1 609 77 85 THR HA H 2.8300 0.01 1 610 77 85 THR HB H 3.7590 0.01 1 611 77 85 THR HG2 H 0.4050 0.01 1 612 77 85 THR C C 173.0700 0.1 1 613 77 85 THR CA C 62.4000 0.1 1 614 77 85 THR CB C 68.3910 0.1 1 615 77 85 THR CG2 C 20.4120 0.1 1 616 77 85 THR N N 101.8760 0.1 1 617 78 86 SER H H 7.0830 0.01 1 618 78 86 SER HA H 4.5320 0.01 1 619 78 86 SER HB2 H 3.9120 0.01 2 620 78 86 SER HB3 H 4.2430 0.01 2 621 78 86 SER C C 174.0960 0.1 1 622 78 86 SER CA C 58.4120 0.1 1 623 78 86 SER CB C 65.5630 0.1 1 624 78 86 SER N N 113.9170 0.1 1 625 79 87 MET H H 7.4540 0.01 1 626 79 87 MET HA H 4.5080 0.01 1 627 79 87 MET HB2 H 2.1270 0.01 2 628 79 87 MET HB3 H 2.2910 0.01 2 629 79 87 MET HG2 H 2.3800 0.01 2 630 79 87 MET HG3 H 2.3800 0.01 2 631 79 87 MET HE H 2.1860 0.01 1 632 79 87 MET C C 173.4590 0.1 1 633 79 87 MET CA C 56.8960 0.1 1 634 79 87 MET CB C 35.5440 0.1 1 635 79 87 MET CG C 32.7820 0.1 1 636 79 87 MET CE C 18.1020 0.1 1 637 79 87 MET N N 123.6800 0.1 1 638 80 88 ARG H H 7.4640 0.01 1 639 80 88 ARG HA H 4.3100 0.01 1 640 80 88 ARG HB2 H 1.5990 0.01 2 641 80 88 ARG HB3 H 1.9630 0.01 2 642 80 88 ARG C C 176.8670 0.1 1 643 80 88 ARG CA C 54.9240 0.1 1 644 80 88 ARG CB C 32.5990 0.1 1 645 80 88 ARG CG C 29.6730 0.1 1 646 80 88 ARG CD C 43.8820 0.1 1 647 80 88 ARG N N 115.8180 0.1 1 648 81 89 VAL H H 8.3930 0.01 1 649 81 89 VAL HA H 3.1830 0.01 1 650 81 89 VAL HB H 1.7160 0.01 1 651 81 89 VAL HG1 H 0.8500 0.01 2 652 81 89 VAL HG2 H 0.3710 0.01 2 653 81 89 VAL C C 176.2380 0.1 1 654 81 89 VAL CA C 66.7480 0.1 1 655 81 89 VAL CB C 30.6220 0.1 1 656 81 89 VAL CG1 C 22.6700 0.1 2 657 81 89 VAL CG2 C 20.9230 0.1 2 658 81 89 VAL N N 120.8610 0.1 1 659 82 90 HIS H H 8.5780 0.01 1 660 82 90 HIS HA H 4.4210 0.01 1 661 82 90 HIS HB2 H 3.4880 0.01 2 662 82 90 HIS HB3 H 3.9210 0.01 2 663 82 90 HIS C C 174.2350 0.1 1 664 82 90 HIS CA C 58.6980 0.1 1 665 82 90 HIS CB C 27.9280 0.1 1 666 82 90 HIS N N 117.1200 0.1 1 667 83 91 GLU H H 8.3320 0.01 1 668 83 91 GLU HA H 4.4500 0.01 1 669 83 91 GLU HB2 H 2.0880 0.01 2 670 83 91 GLU HB3 H 2.4860 0.01 2 671 83 91 GLU C C 174.9800 0.1 1 672 83 91 GLU CA C 56.6210 0.1 1 673 83 91 GLU CB C 33.9810 0.1 1 674 83 91 GLU CG C 37.8990 0.1 1 675 83 91 GLU N N 123.0820 0.1 1 676 84 92 VAL H H 8.8300 0.01 1 677 84 92 VAL HA H 5.2720 0.01 1 678 84 92 VAL HB H 1.9870 0.01 1 679 84 92 VAL HG1 H 0.8480 0.01 2 680 84 92 VAL HG2 H 0.9600 0.01 2 681 84 92 VAL C C 175.8480 0.1 1 682 84 92 VAL CA C 60.8250 0.1 1 683 84 92 VAL CB C 33.1210 0.1 1 684 84 92 VAL CG1 C 21.4700 0.1 2 685 84 92 VAL CG2 C 22.1000 0.1 2 686 84 92 VAL N N 123.4740 0.1 1 687 85 93 ALA H H 9.3650 0.01 1 688 85 93 ALA HA H 5.0090 0.01 1 689 85 93 ALA HB H 1.1650 0.01 1 690 85 93 ALA C C 173.0550 0.1 1 691 85 93 ALA CA C 50.5510 0.1 1 692 85 93 ALA CB C 23.9750 0.1 1 693 85 93 ALA N N 129.0590 0.1 1 694 86 94 GLU H H 9.0230 0.01 1 695 86 94 GLU HA H 5.3320 0.01 1 696 86 94 GLU HB2 H 1.9490 0.01 2 697 86 94 GLU HB3 H 1.9490 0.01 2 698 86 94 GLU HG2 H 2.0700 0.01 2 699 86 94 GLU HG3 H 2.0700 0.01 2 700 86 94 GLU C C 175.0970 0.1 1 701 86 94 GLU CA C 54.2860 0.1 1 702 86 94 GLU CB C 33.2770 0.1 1 703 86 94 GLU CG C 38.2130 0.1 1 704 86 94 GLU N N 121.3560 0.1 1 705 87 95 PHE H H 10.0840 0.01 1 706 87 95 PHE HA H 5.5950 0.01 1 707 87 95 PHE HB2 H 2.6930 0.01 2 708 87 95 PHE HB3 H 3.1240 0.01 2 709 87 95 PHE C C 174.8350 0.1 1 710 87 95 PHE CA C 55.8890 0.1 1 711 87 95 PHE CB C 41.6300 0.1 1 712 87 95 PHE N N 125.0580 0.1 1 713 88 96 TRP H H 9.3720 0.01 1 714 88 96 TRP HA H 4.9450 0.01 1 715 88 96 TRP HB2 H 3.2400 0.01 2 716 88 96 TRP HB3 H 3.3400 0.01 2 717 88 96 TRP HE1 H 9.9330 0.01 1 718 88 96 TRP C C 176.1270 0.1 1 719 88 96 TRP CA C 58.1340 0.1 1 720 88 96 TRP CB C 30.4460 0.1 1 721 88 96 TRP N N 127.3230 0.1 1 722 88 96 TRP NE1 N 130.5990 0.1 1 723 89 97 CYS H H 8.5190 0.01 1 724 89 97 CYS HA H 5.2710 0.01 1 725 89 97 CYS HB2 H 2.6000 0.01 2 726 89 97 CYS HB3 H 2.6910 0.01 2 727 89 97 CYS C C 171.6960 0.1 1 728 89 97 CYS CA C 57.2190 0.1 1 729 89 97 CYS CB C 31.6710 0.1 1 730 89 97 CYS N N 124.2490 0.1 1 731 90 98 ASP H H 8.4320 0.01 1 732 90 98 ASP HA H 4.0130 0.01 1 733 90 98 ASP HB2 H 2.5600 0.01 2 734 90 98 ASP HB3 H 2.8450 0.01 2 735 90 98 ASP C C 176.2080 0.1 1 736 90 98 ASP CA C 53.2030 0.1 1 737 90 98 ASP CB C 43.7240 0.1 1 738 90 98 ASP N N 119.0850 0.1 1 739 91 99 THR H H 8.5980 0.01 1 740 91 99 THR HA H 3.8590 0.01 1 741 91 99 THR HB H 3.8600 0.01 1 742 91 99 THR HG2 H 0.9900 0.01 1 743 91 99 THR C C 175.8260 0.1 1 744 91 99 THR CA C 64.6240 0.1 1 745 91 99 THR CB C 68.4940 0.1 1 746 91 99 THR CG2 C 22.6560 0.1 1 747 91 99 THR N N 115.5390 0.1 1 748 92 100 ILE H H 7.4630 0.01 1 749 92 100 ILE HA H 3.9440 0.01 1 750 92 100 ILE HB H 1.6440 0.01 1 751 92 100 ILE HG12 H 1.6270 0.01 2 752 92 100 ILE HG13 H 1.6270 0.01 2 753 92 100 ILE HG2 H 0.4960 0.01 1 754 92 100 ILE HD1 H 0.6720 0.01 1 755 92 100 ILE C C 176.3090 0.1 1 756 92 100 ILE CA C 63.6400 0.1 1 757 92 100 ILE CB C 37.6120 0.1 1 758 92 100 ILE CG2 C 16.5700 0.1 1 759 92 100 ILE CD1 C 13.7240 0.1 1 760 92 100 ILE N N 116.1600 0.1 1 761 93 101 HIS H H 7.8830 0.01 1 762 93 101 HIS HA H 5.1000 0.01 1 763 93 101 HIS HB2 H 2.8530 0.01 2 764 93 101 HIS HB3 H 3.0930 0.01 2 765 93 101 HIS C C 177.8620 0.1 1 766 93 101 HIS CA C 56.5270 0.1 1 767 93 101 HIS CB C 33.8560 0.1 1 768 93 101 HIS N N 117.1370 0.1 1 769 94 102 THR H H 7.7510 0.01 1 770 94 102 THR HA H 4.1990 0.01 1 771 94 102 THR HB H 4.6560 0.01 1 772 94 102 THR HG2 H 1.2180 0.01 1 773 94 102 THR C C 177.3080 0.1 1 774 94 102 THR CA C 63.3350 0.1 1 775 94 102 THR CB C 69.3510 0.1 1 776 94 102 THR CG2 C 23.3130 0.1 1 777 94 102 THR N N 105.8560 0.1 1 778 95 103 GLY H H 8.4650 0.01 1 779 95 103 GLY C C 175.2750 0.1 1 780 95 103 GLY CA C 47.5230 0.1 1 781 95 103 GLY N N 113.3760 0.1 1 782 96 104 VAL HA H 4.3730 0.01 1 783 96 104 VAL HB H 2.3850 0.01 1 784 96 104 VAL HG1 H 1.0810 0.01 2 785 96 104 VAL HG2 H 1.0810 0.01 2 786 96 104 VAL C C 176.6240 0.1 1 787 96 104 VAL CA C 61.3750 0.1 1 788 96 104 VAL CB C 32.7480 0.1 1 789 96 104 VAL CG1 C 20.2680 0.1 2 790 96 104 VAL CG2 C 20.2670 0.1 2 791 97 105 TYR H H 8.2400 0.01 1 792 97 105 TYR HA H 4.3400 0.01 1 793 97 105 TYR C C 172.5450 0.1 1 794 97 105 TYR CA C 64.7530 0.1 1 795 97 105 TYR CB C 37.2620 0.1 1 796 97 105 TYR N N 122.5050 0.1 1 797 98 106 PRO HA H 4.0450 0.01 1 798 98 106 PRO HB2 H 1.8880 0.01 2 799 98 106 PRO HB3 H 2.3710 0.01 2 800 98 106 PRO C C 177.3130 0.1 1 801 98 106 PRO CA C 66.6580 0.1 1 802 98 106 PRO CB C 31.1570 0.1 1 803 99 107 ILE H H 7.0180 0.01 1 804 99 107 ILE HA H 3.6240 0.01 1 805 99 107 ILE HB H 1.9810 0.01 1 806 99 107 ILE HG12 H 1.1910 0.01 2 807 99 107 ILE HG13 H 1.5240 0.01 2 808 99 107 ILE HG2 H 0.8620 0.01 1 809 99 107 ILE HD1 H 0.8620 0.01 1 810 99 107 ILE C C 178.4920 0.1 1 811 99 107 ILE CA C 64.3640 0.1 1 812 99 107 ILE CB C 37.8620 0.1 1 813 99 107 ILE CG1 C 28.9070 0.1 1 814 99 107 ILE CG2 C 17.5400 0.1 1 815 99 107 ILE CD1 C 13.0700 0.1 1 816 99 107 ILE N N 115.4400 0.1 1 817 100 108 LEU H H 7.1720 0.01 1 818 100 108 LEU HA H 3.7900 0.01 1 819 100 108 LEU HB2 H 1.3170 0.01 2 820 100 108 LEU HB3 H 1.0290 0.01 2 821 100 108 LEU HG H 1.4010 0.01 1 822 100 108 LEU HD1 H 0.3030 0.01 2 823 100 108 LEU HD2 H 0.3770 0.01 2 824 100 108 LEU C C 178.6480 0.1 1 825 100 108 LEU CA C 57.3440 0.1 1 826 100 108 LEU CB C 41.1940 0.1 1 827 100 108 LEU CG C 26.3400 0.1 1 828 100 108 LEU CD1 C 22.2460 0.1 2 829 100 108 LEU CD2 C 25.0530 0.1 2 830 100 108 LEU N N 120.9770 0.1 1 831 102 110 ARG HA H 3.5880 0.01 1 832 102 110 ARG HB2 H 1.8120 0.01 2 833 102 110 ARG HB3 H 1.8120 0.01 2 834 102 110 ARG C C 178.3040 0.1 1 835 102 110 ARG CA C 60.4430 0.1 1 836 102 110 ARG CB C 29.9680 0.1 1 837 102 110 ARG CD C 43.3820 0.1 1 838 103 111 SER H H 7.2370 0.01 1 839 103 111 SER HA H 3.9100 0.01 1 840 103 111 SER HB2 H 4.1600 0.01 2 841 103 111 SER HB3 H 4.1600 0.01 2 842 103 111 SER C C 176.7060 0.1 1 843 103 111 SER CA C 61.3780 0.1 1 844 103 111 SER CB C 63.0760 0.1 1 845 103 111 SER N N 112.6830 0.1 1 846 104 112 LEU H H 7.9910 0.01 1 847 104 112 LEU HA H 4.1150 0.01 1 848 104 112 LEU HB2 H 1.7800 0.01 2 849 104 112 LEU HB3 H 1.8600 0.01 2 850 104 112 LEU C C 179.5970 0.1 1 851 104 112 LEU CA C 58.0990 0.1 1 852 104 112 LEU CB C 41.6640 0.1 1 853 104 112 LEU N N 122.6370 0.1 1 854 105 113 ARG H H 8.8580 0.01 1 855 105 113 ARG HA H 3.9700 0.01 1 856 105 113 ARG HB2 H 1.6650 0.01 2 857 105 113 ARG HB3 H 1.8060 0.01 2 858 105 113 ARG C C 179.1780 0.1 1 859 105 113 ARG CA C 59.7800 0.1 1 860 105 113 ARG CB C 30.6110 0.1 1 861 105 113 ARG CG C 27.7960 0.1 1 862 105 113 ARG CD C 43.5320 0.1 1 863 105 113 ARG N N 119.5610 0.1 1 864 106 114 GLN H H 7.9800 0.01 1 865 106 114 GLN HA H 4.1240 0.01 1 866 106 114 GLN HB2 H 2.1700 0.01 2 867 106 114 GLN HB3 H 2.1690 0.01 2 868 106 114 GLN C C 178.2130 0.1 1 869 106 114 GLN CA C 58.1860 0.1 1 870 106 114 GLN CB C 28.6490 0.1 1 871 106 114 GLN CG C 34.6080 0.1 1 872 106 114 GLN N N 117.3850 0.1 1 873 107 115 MET H H 7.7760 0.01 1 874 107 115 MET HA H 4.2180 0.01 1 875 107 115 MET HB2 H 2.1990 0.01 2 876 107 115 MET HB3 H 2.1990 0.01 2 877 107 115 MET HG2 H 2.5670 0.01 2 878 107 115 MET HG3 H 2.7400 0.01 2 879 107 115 MET HE H 2.0430 0.01 1 880 107 115 MET C C 177.4730 0.1 1 881 107 115 MET CA C 57.7610 0.1 1 882 107 115 MET CB C 32.9550 0.1 1 883 107 115 MET CG C 32.1090 0.1 1 884 107 115 MET CE C 16.8570 0.1 1 885 107 115 MET N N 118.1120 0.1 1 886 108 116 ALA H H 7.7900 0.01 1 887 108 116 ALA HA H 4.2750 0.01 1 888 108 116 ALA HB H 1.4880 0.01 1 889 108 116 ALA C C 178.2590 0.1 1 890 108 116 ALA CA C 53.4790 0.1 1 891 108 116 ALA CB C 19.2810 0.1 1 892 108 116 ALA N N 121.3890 0.1 1 893 109 117 GLN H H 8.1220 0.01 1 894 109 117 GLN HA H 4.3360 0.01 1 895 109 117 GLN HB2 H 2.1460 0.01 2 896 109 117 GLN HB3 H 2.1460 0.01 2 897 109 117 GLN C C 176.9760 0.1 1 898 109 117 GLN CA C 56.2600 0.1 1 899 109 117 GLN CB C 29.2150 0.1 1 900 109 117 GLN CG C 33.9910 0.1 1 901 109 117 GLN N N 117.0320 0.1 1 902 110 118 GLY H H 8.2630 0.01 1 903 110 118 GLY CA C 45.8510 0.1 1 904 110 118 GLY N N 109.3510 0.1 1 905 133 124 GLY H H 8.0320 0.01 1 906 133 124 GLY HA2 H 3.8260 0.01 2 907 133 124 GLY HA3 H 3.8260 0.01 2 908 133 124 GLY C C 173.5940 0.1 1 909 133 124 GLY CA C 44.8850 0.1 1 910 133 124 GLY N N 108.1730 0.1 1 911 134 125 TYR H H 8.4290 0.01 1 912 134 125 TYR HA H 4.8060 0.01 1 913 134 125 TYR HB2 H 2.8480 0.01 2 914 134 125 TYR HB3 H 3.1720 0.01 2 915 134 125 TYR C C 175.8430 0.1 1 916 134 125 TYR CA C 56.2310 0.1 1 917 134 125 TYR CB C 38.9500 0.1 1 918 134 125 TYR N N 119.0040 0.1 1 919 135 126 GLU H H 9.0730 0.01 1 920 135 126 GLU HA H 4.0880 0.01 1 921 135 126 GLU HB2 H 2.0670 0.01 2 922 135 126 GLU HB3 H 2.0670 0.01 2 923 135 126 GLU C C 178.1120 0.1 1 924 135 126 GLU CA C 60.1180 0.1 1 925 135 126 GLU CB C 29.4260 0.1 1 926 135 126 GLU CG C 36.7710 0.1 1 927 135 126 GLU N N 124.0110 0.1 1 928 136 127 ASP H H 8.8550 0.01 1 929 136 127 ASP HA H 4.3310 0.01 1 930 136 127 ASP HB2 H 2.5720 0.01 2 931 136 127 ASP HB3 H 2.8790 0.01 2 932 136 127 ASP C C 179.0280 0.1 1 933 136 127 ASP CA C 56.1260 0.1 1 934 136 127 ASP CB C 38.2630 0.1 1 935 136 127 ASP N N 117.7070 0.1 1 936 137 128 LEU H H 7.8060 0.01 1 937 137 128 LEU HA H 4.1730 0.01 1 938 137 128 LEU HB2 H 1.3880 0.01 2 939 137 128 LEU HB3 H 2.1050 0.01 2 940 137 128 LEU HD1 H 0.8320 0.01 2 941 137 128 LEU HD2 H 0.9500 0.01 2 942 137 128 LEU C C 178.8630 0.1 1 943 137 128 LEU CA C 56.8210 0.1 1 944 137 128 LEU CB C 41.4800 0.1 1 945 137 128 LEU CG C 27.0810 0.1 1 946 137 128 LEU CD1 C 20.8250 0.1 2 947 137 128 LEU CD2 C 24.2960 0.1 2 948 137 128 LEU N N 122.3080 0.1 1 949 138 129 ASP H H 8.2970 0.01 1 950 138 129 ASP HA H 4.3150 0.01 1 951 138 129 ASP HB2 H 2.6220 0.01 2 952 138 129 ASP HB3 H 2.8330 0.01 2 953 138 129 ASP C C 179.2070 0.1 1 954 138 129 ASP CA C 57.4660 0.1 1 955 138 129 ASP CB C 39.8540 0.1 1 956 138 129 ASP N N 120.9430 0.1 1 957 139 130 GLU H H 7.8640 0.01 1 958 139 130 GLU HA H 4.0120 0.01 1 959 139 130 GLU HB2 H 2.1220 0.01 2 960 139 130 GLU HB3 H 2.1220 0.01 2 961 139 130 GLU C C 178.6950 0.1 1 962 139 130 GLU CA C 59.1840 0.1 1 963 139 130 GLU CB C 29.3840 0.1 1 964 139 130 GLU CG C 36.1220 0.1 1 965 139 130 GLU N N 119.5530 0.1 1 966 140 131 LEU H H 7.4770 0.01 1 967 140 131 LEU HA H 4.0940 0.01 1 968 140 131 LEU HB2 H 1.8270 0.01 2 969 140 131 LEU HB3 H 1.8260 0.01 2 970 140 131 LEU HD1 H 0.9130 0.01 2 971 140 131 LEU HD2 H 0.9500 0.01 2 972 140 131 LEU C C 178.7160 0.1 1 973 140 131 LEU CA C 57.1260 0.1 1 974 140 131 LEU CB C 41.9370 0.1 1 975 140 131 LEU CG C 27.1970 0.1 1 976 140 131 LEU CD1 C 24.1200 0.1 2 977 140 131 LEU CD2 C 24.9900 0.1 2 978 140 131 LEU N N 118.9190 0.1 1 979 141 132 GLN H H 8.0300 0.01 1 980 141 132 GLN HA H 4.0380 0.01 1 981 141 132 GLN HB2 H 2.1730 0.01 2 982 141 132 GLN HB3 H 2.1730 0.01 2 983 141 132 GLN C C 177.3230 0.1 1 984 141 132 GLN CA C 58.2140 0.1 1 985 141 132 GLN CB C 28.8450 0.1 1 986 141 132 GLN CG C 34.0680 0.1 1 987 141 132 GLN N N 116.6840 0.1 1 988 142 133 LYS H H 7.4470 0.01 1 989 142 133 LYS HA H 4.1140 0.01 1 990 142 133 LYS HB2 H 1.9190 0.01 2 991 142 133 LYS HB3 H 1.9190 0.01 2 992 142 133 LYS C C 176.3110 0.1 1 993 142 133 LYS CA C 58.0490 0.1 1 994 142 133 LYS CB C 33.3070 0.1 1 995 142 133 LYS CG C 25.3310 0.1 1 996 142 133 LYS CD C 29.4680 0.1 1 997 142 133 LYS CE C 42.0800 0.1 1 998 142 133 LYS N N 117.0090 0.1 1 999 143 134 GLU H H 7.6720 0.01 1 1000 143 134 GLU HA H 4.6600 0.01 1 1001 143 134 GLU C C 170.5970 0.1 1 1002 143 134 GLU CA C 52.9790 0.1 1 1003 143 134 GLU CB C 30.5810 0.1 1 1004 143 134 GLU N N 119.4500 0.1 1 1005 144 135 PRO HA H 4.5300 0.01 1 1006 144 135 PRO HB2 H 1.7250 0.01 2 1007 144 135 PRO HB3 H 2.2590 0.01 2 1008 144 135 PRO C C 176.9040 0.1 1 1009 144 135 PRO CA C 63.7890 0.1 1 1010 144 135 PRO CB C 31.8300 0.1 1 1011 144 135 PRO CG C 27.8110 0.1 1 1012 144 135 PRO CD C 49.8830 0.1 1 1013 145 136 GLN H H 8.3120 0.01 1 1014 145 136 GLN HA H 4.8470 0.01 1 1015 145 136 GLN C C 171.9320 0.1 1 1016 145 136 GLN CA C 53.5340 0.1 1 1017 145 136 GLN CB C 30.9650 0.1 1 1018 145 136 GLN N N 119.8160 0.1 1 1019 146 137 PRO HA H 4.4650 0.01 1 1020 146 137 PRO HB2 H 1.7680 0.01 2 1021 146 137 PRO HB3 H 2.0120 0.01 2 1022 146 137 PRO HG2 H 2.1870 0.01 2 1023 146 137 PRO HG3 H 2.1870 0.01 2 1024 146 137 PRO HD2 H 3.6180 0.01 2 1025 146 137 PRO HD3 H 3.7510 0.01 2 1026 146 137 PRO C C 174.1420 0.1 1 1027 146 137 PRO CA C 62.5910 0.1 1 1028 146 137 PRO CB C 33.0370 0.1 1 1029 146 137 PRO CG C 27.7420 0.1 1 1030 146 137 PRO CD C 51.0430 0.1 1 1031 147 138 LEU H H 7.8250 0.01 1 1032 147 138 LEU HA H 4.6780 0.01 1 1033 147 138 LEU HB2 H 0.5660 0.01 2 1034 147 138 LEU HB3 H 1.0260 0.01 2 1035 147 138 LEU HD1 H 0.6670 0.01 2 1036 147 138 LEU HD2 H 0.4330 0.01 2 1037 147 138 LEU C C 173.6430 0.1 1 1038 147 138 LEU CA C 53.3970 0.1 1 1039 147 138 LEU CB C 47.6490 0.1 1 1040 147 138 LEU CD1 C 23.1470 0.1 2 1041 147 138 LEU CD2 C 26.1330 0.1 2 1042 147 138 LEU N N 117.3570 0.1 1 1043 148 139 VAL H H 8.3720 0.01 1 1044 148 139 VAL HA H 4.9800 0.01 1 1045 148 139 VAL HB H 1.6900 0.01 1 1046 148 139 VAL HG1 H 0.8300 0.01 2 1047 148 139 VAL HG2 H 0.9200 0.01 2 1048 148 139 VAL C C 173.7260 0.1 1 1049 148 139 VAL CA C 59.6240 0.1 1 1050 148 139 VAL CB C 34.5930 0.1 1 1051 148 139 VAL CG1 C 22.0100 0.1 2 1052 148 139 VAL CG2 C 23.1080 0.1 2 1053 148 139 VAL N N 117.5990 0.1 1 1054 149 140 PHE H H 9.1250 0.01 1 1055 149 140 PHE HA H 5.8550 0.01 1 1056 149 140 PHE HB2 H 2.9510 0.01 2 1057 149 140 PHE HB3 H 2.9510 0.01 2 1058 149 140 PHE C C 176.5610 0.1 1 1059 149 140 PHE CA C 55.2280 0.1 1 1060 149 140 PHE CB C 42.7290 0.1 1 1061 149 140 PHE N N 123.2620 0.1 1 1062 150 141 VAL H H 9.5340 0.01 1 1063 150 141 VAL HA H 5.2950 0.01 1 1064 150 141 VAL HB H 1.9500 0.01 1 1065 150 141 VAL HG1 H 0.8480 0.01 2 1066 150 141 VAL HG2 H 0.9650 0.01 2 1067 150 141 VAL C C 176.4230 0.1 1 1068 150 141 VAL CA C 62.0060 0.1 1 1069 150 141 VAL CB C 33.2700 0.1 1 1070 150 141 VAL CG1 C 21.6980 0.1 2 1071 150 141 VAL CG2 C 22.1000 0.1 2 1072 150 141 VAL N N 124.3660 0.1 1 1073 151 142 ILE H H 9.4550 0.01 1 1074 151 142 ILE HA H 5.2640 0.01 1 1075 151 142 ILE HB H 1.9160 0.01 1 1076 151 142 ILE HG2 H 0.9320 0.01 1 1077 151 142 ILE HD1 H 0.4950 0.01 1 1078 151 142 ILE C C 173.4150 0.1 1 1079 151 142 ILE CA C 60.0180 0.1 1 1080 151 142 ILE CB C 41.8070 0.1 1 1081 151 142 ILE CG2 C 18.1590 0.1 1 1082 151 142 ILE CD1 C 12.8200 0.1 1 1083 151 142 ILE N N 129.3490 0.1 1 1084 152 143 GLU H H 8.9680 0.01 1 1085 152 143 GLU HA H 5.6420 0.01 1 1086 152 143 GLU HB2 H 1.9800 0.01 2 1087 152 143 GLU HB3 H 1.9090 0.01 2 1088 152 143 GLU HG2 H 2.0800 0.01 2 1089 152 143 GLU HG3 H 2.0800 0.01 2 1090 152 143 GLU C C 175.4810 0.1 1 1091 152 143 GLU CA C 53.5730 0.1 1 1092 152 143 GLU CB C 33.4370 0.1 1 1093 152 143 GLU CG C 35.7430 0.1 1 1094 152 143 GLU N N 127.3320 0.1 1 1095 153 144 LEU H H 8.1220 0.01 1 1096 153 144 LEU HA H 4.5680 0.01 1 1097 153 144 LEU HB2 H 1.4010 0.01 2 1098 153 144 LEU HB3 H 2.4480 0.01 2 1099 153 144 LEU HG H 1.3870 0.01 1 1100 153 144 LEU HD1 H 0.8260 0.01 2 1101 153 144 LEU HD2 H 1.0600 0.01 2 1102 153 144 LEU C C 176.0810 0.1 1 1103 153 144 LEU CA C 55.4700 0.1 1 1104 153 144 LEU CB C 40.9760 0.1 1 1105 153 144 LEU CG C 28.7400 0.1 1 1106 153 144 LEU CD1 C 26.0900 0.1 2 1107 153 144 LEU CD2 C 25.4000 0.1 2 1108 153 144 LEU N N 128.1020 0.1 1 1109 154 145 LEU H H 9.0650 0.01 1 1110 154 145 LEU HA H 4.5310 0.01 1 1111 154 145 LEU HB2 H 1.5050 0.01 2 1112 154 145 LEU HB3 H 1.5050 0.01 2 1113 154 145 LEU HG H 1.7810 0.01 1 1114 154 145 LEU HD1 H 0.7220 0.01 2 1115 154 145 LEU HD2 H 0.8620 0.01 2 1116 154 145 LEU C C 177.2310 0.1 1 1117 154 145 LEU CA C 56.6290 0.1 1 1118 154 145 LEU CB C 42.9720 0.1 1 1119 154 145 LEU CG C 28.2010 0.1 1 1120 154 145 LEU CD1 C 25.7720 0.1 2 1121 154 145 LEU CD2 C 22.8850 0.1 2 1122 154 145 LEU N N 128.1100 0.1 1 1123 155 146 GLN H H 7.7310 0.01 1 1124 155 146 GLN HA H 4.2650 0.01 1 1125 155 146 GLN HB2 H 1.6130 0.01 2 1126 155 146 GLN HB3 H 2.2410 0.01 2 1127 155 146 GLN C C 172.4670 0.1 1 1128 155 146 GLN CA C 56.5670 0.1 1 1129 155 146 GLN CB C 31.8970 0.1 1 1130 155 146 GLN CG C 33.5630 0.1 1 1131 155 146 GLN N N 116.1340 0.1 1 1132 156 147 VAL H H 8.4830 0.01 1 1133 156 147 VAL HA H 4.9780 0.01 1 1134 156 147 VAL HB H 1.7250 0.01 1 1135 156 147 VAL HG1 H 0.8690 0.01 2 1136 156 147 VAL HG2 H 0.5940 0.01 2 1137 156 147 VAL C C 174.7330 0.1 1 1138 156 147 VAL CA C 61.3460 0.1 1 1139 156 147 VAL CB C 34.5460 0.1 1 1140 156 147 VAL CG1 C 23.1660 0.1 2 1141 156 147 VAL CG2 C 20.4010 0.1 2 1142 156 147 VAL N N 123.6700 0.1 1 1143 157 148 ASP H H 9.4940 0.01 1 1144 157 148 ASP HA H 5.0770 0.01 1 1145 157 148 ASP HB2 H 2.5610 0.01 2 1146 157 148 ASP HB3 H 2.7320 0.01 2 1147 157 148 ASP C C 175.3300 0.1 1 1148 157 148 ASP CA C 52.6060 0.1 1 1149 157 148 ASP CB C 43.4450 0.1 1 1150 157 148 ASP N N 127.8930 0.1 1 1151 158 149 ALA H H 8.5240 0.01 1 1152 158 149 ALA HA H 4.5400 0.01 1 1153 158 149 ALA HB H 1.3640 0.01 1 1154 158 149 ALA C C 175.8730 0.1 1 1155 158 149 ALA CA C 50.4830 0.1 1 1156 158 149 ALA CB C 17.5120 0.1 1 1157 158 149 ALA N N 125.4390 0.1 1 1158 159 150 PRO HA H 4.4120 0.01 1 1159 159 150 PRO HB2 H 1.9760 0.01 2 1160 159 150 PRO HB3 H 2.2050 0.01 2 1161 159 150 PRO HD2 H 3.4910 0.01 2 1162 159 150 PRO HD3 H 3.5660 0.01 2 1163 159 150 PRO C C 176.6050 0.1 1 1164 159 150 PRO CA C 63.3520 0.1 1 1165 159 150 PRO CB C 31.9260 0.1 1 1166 159 150 PRO CG C 27.3670 0.1 1 1167 159 150 PRO CD C 49.9610 0.1 1 1168 160 151 SER H H 8.3610 0.01 1 1169 160 151 SER HA H 4.4080 0.01 1 1170 160 151 SER HB2 H 3.8270 0.01 2 1171 160 151 SER HB3 H 3.8270 0.01 2 1172 160 151 SER C C 173.4650 0.1 1 1173 160 151 SER CA C 58.1500 0.1 1 1174 160 151 SER CB C 64.3280 0.1 1 1175 160 151 SER N N 116.2340 0.1 1 1176 161 152 ASP H H 7.9710 0.01 1 1177 161 152 ASP HA H 4.3500 0.01 1 1178 161 152 ASP C C 180.8160 0.1 1 1179 161 152 ASP CA C 56.0430 0.1 1 1180 161 152 ASP CB C 42.2230 0.1 1 1181 161 152 ASP N N 127.7450 0.1 1 stop_ save_