data_34225 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a last generation P2-P4 macrocyclic inhibitor ; _BMRB_accession_number 34225 _BMRB_flat_file_name bmr34225.str _Entry_type original _Submission_date 2017-12-29 _Accession_date 2017-12-29 _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 Gallo M. . . 2 Eliseo T. . . 3 Cicero D. O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 748 "13C chemical shifts" 519 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-28 original BMRB . stop_ _Original_release_date 2019-01-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A. ; _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 Gallo M. . . 2 Eliseo T. . . 3 Monteagudo E. S. . 4 Sabetta S. . . 5 Paci M. . . 6 Summa V. . . 7 Cicero D. O. . 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 'Non-structural 3 protease' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_4P2 entity_3 $entity_ZN 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 17444.971 _Mol_thiol_state . _Details ; NS3 protein plus a solubilizing hexapeptide tail (ASKKKK) Complex with P2P4 macrocyclic inhibitor ; ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; TGRDKNQVEGEVQVVSTATQ SFLATCVNGVCWTVYHGAGS KTLAGPKGPITQMYTNVDQD LVGWQAPPGARSLTPCTCGS SDLYLVTRHADVIPVRRRGD SRGSLLSPRPVSYLKGSSGG PLLCPSGHAVGIFRAAVCTR GVAKAVDFVPVESMETTMRA SKKKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 THR 2 23 GLY 3 24 ARG 4 25 ASP 5 26 LYS 6 27 ASN 7 28 GLN 8 29 VAL 9 30 GLU 10 31 GLY 11 32 GLU 12 33 VAL 13 34 GLN 14 35 VAL 15 36 VAL 16 37 SER 17 38 THR 18 39 ALA 19 40 THR 20 41 GLN 21 42 SER 22 43 PHE 23 44 LEU 24 45 ALA 25 46 THR 26 47 CYS 27 48 VAL 28 49 ASN 29 50 GLY 30 51 VAL 31 52 CYS 32 53 TRP 33 54 THR 34 55 VAL 35 56 TYR 36 57 HIS 37 58 GLY 38 59 ALA 39 60 GLY 40 61 SER 41 62 LYS 42 63 THR 43 64 LEU 44 65 ALA 45 66 GLY 46 67 PRO 47 68 LYS 48 69 GLY 49 70 PRO 50 71 ILE 51 72 THR 52 73 GLN 53 74 MET 54 75 TYR 55 76 THR 56 77 ASN 57 78 VAL 58 79 ASP 59 80 GLN 60 81 ASP 61 82 LEU 62 83 VAL 63 84 GLY 64 85 TRP 65 86 GLN 66 87 ALA 67 88 PRO 68 89 PRO 69 90 GLY 70 91 ALA 71 92 ARG 72 93 SER 73 94 LEU 74 95 THR 75 96 PRO 76 97 CYS 77 98 THR 78 99 CYS 79 100 GLY 80 101 SER 81 102 SER 82 103 ASP 83 104 LEU 84 105 TYR 85 106 LEU 86 107 VAL 87 108 THR 88 109 ARG 89 110 HIS 90 111 ALA 91 112 ASP 92 113 VAL 93 114 ILE 94 115 PRO 95 116 VAL 96 117 ARG 97 118 ARG 98 119 ARG 99 120 GLY 100 121 ASP 101 122 SER 102 123 ARG 103 124 GLY 104 125 SER 105 126 LEU 106 127 LEU 107 128 SER 108 129 PRO 109 130 ARG 110 131 PRO 111 132 VAL 112 133 SER 113 134 TYR 114 135 LEU 115 136 LYS 116 137 GLY 117 138 SER 118 139 SER 119 140 GLY 120 141 GLY 121 142 PRO 122 143 LEU 123 144 LEU 124 145 CYS 125 146 PRO 126 147 SER 127 148 GLY 128 149 HIS 129 150 ALA 130 151 VAL 131 152 GLY 132 153 ILE 133 154 PHE 134 155 ARG 135 156 ALA 136 157 ALA 137 158 VAL 138 159 CYS 139 160 THR 140 161 ARG 141 162 GLY 142 163 VAL 143 164 ALA 144 165 LYS 145 166 ALA 146 167 VAL 147 168 ASP 148 169 PHE 149 170 VAL 150 171 PRO 151 172 VAL 152 173 GLU 153 174 SER 154 175 MET 155 176 GLU 156 177 THR 157 178 THR 158 179 MET 159 180 ARG 160 181 ALA 161 182 SER 162 183 LYS 163 184 LYS 164 185 LYS 165 186 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_4P2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_4P2 _Molecular_mass 775.953 _Mol_thiol_state 'not present' _Details ; It is "compound chem comps" with five "non-standard residues"; 'C41 H53 N5 O8 S'. ; _Residue_count 5 _Mol_residue_sequence ; XXXXX ; loop_ _Residue_seq_code _Residue_label 1 2KX 2 2KY 3 HYP 4 0Y9 5 0YA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? 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 $entity_1 'Hepacivirus C' 31647 Viruses . Hepacivirus 'Hepacivirus C' 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 ; 500 uM [U-99% 15N] HCV NS3 protease, 500 uM NA P2P4M, 100 mM NA sodium chloride, 0.3 % deuterated n-octyl beta-D-glucopyranoside, 1 mM NA DTT, 0.01 % NA sodium azide, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 500 uM '[U-99% 15N]' P2P4M 500 uM NA 'sodium chloride' 100 mM NA 'n-octyl beta-D-glucopyranoside' 0.3 % deuterated DTT 1 mM NA 'sodium azide' 0.01 % NA stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 500 uM [U-99% 15N] [U-99% 13C] HCV NS3 protease, 500 uM NA P2P4M, 100 mM NA sodium chloride, 0.3 % deuterated n-octyl beta-D-glucopyranoside, 1 mM NA DTT, 0.01 % NA sodium azide, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 500 uM '[U-99% 15N] [U-99% 13C]' P2P4M 500 uM NA 'sodium chloride' 100 mM NA 'n-octyl beta-D-glucopyranoside' 0.3 % deuterated DTT 1 mM NA 'sodium azide' 0.01 % NA stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 500 uM [U-99% 15N] [U-99% 13C] HCV NS3 protease, 500 uM NA P2P4M, 100 mM NA sodium chloride, 0.3 % deuterated n-octyl beta-D-glucopyranoside, 1 mM NA DTT, 0.01 % NA sodium azide, 100% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 500 uM '[U-99% 15N] [U-99% 13C]' P2P4M 500 uM NA 'sodium chloride' 100 mM NA 'n-octyl beta-D-glucopyranoside' 0.3 % deuterated DTT 1 mM NA 'sodium azide' 0.01 % NA stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_CBCANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_F1-edited,_F3-filtered_3D_HMQC-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'F1-edited, F3-filtered 3D HMQC-NOESY' _Sample_label $sample_3 save_ save_double-filtered_[F1-C/N,F2-C/N]-NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'double-filtered [F1-C/N,F2-C/N]-NOESY' _Sample_label $sample_3 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' 100 0.2 mM pH 6.8 0.1 pH pressure 1 0.01 atm temperature 308 0.2 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 na direct . . . 1 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '2D 1H-13C HSQC aromatic' '3D CBCANH' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aromatic' 'F1-edited, F3-filtered 3D HMQC-NOESY' 'double-filtered [F1-C/N,F2-C/N]-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 23 2 GLY H H 8.0950 0.0000 1 2 23 2 GLY HA2 H 4.1100 0.0000 2 3 23 2 GLY HA3 H 4.1100 0.0000 2 4 23 2 GLY CA C 46.2700 0.0000 1 5 23 2 GLY N N 110.8910 0.0000 1 6 24 3 ARG H H 8.2060 0.0000 1 7 24 3 ARG C C 176.4000 0.0000 1 8 24 3 ARG N N 120.3540 0.0000 1 9 25 4 ASP H H 8.3690 0.0000 1 10 25 4 ASP HA H 4.9350 0.0000 1 11 25 4 ASP C C 176.8000 0.0000 1 12 25 4 ASP N N 120.4530 0.0000 1 13 26 5 LYS H H 8.4680 0.0000 1 14 26 5 LYS HA H 4.2070 0.0000 1 15 26 5 LYS C C 176.9000 0.0000 1 16 26 5 LYS CA C 57.3400 0.0000 1 17 26 5 LYS N N 122.2460 0.0000 1 18 27 6 ASN H H 8.5110 0.0000 1 19 27 6 ASN HA H 4.8000 0.0000 1 20 27 6 ASN HB2 H 2.9170 0.0000 2 21 27 6 ASN HB3 H 2.9170 0.0000 2 22 27 6 ASN C C 175.4000 0.0000 1 23 27 6 ASN CA C 53.9300 0.0000 1 24 27 6 ASN N N 118.0650 0.0000 1 25 28 7 GLN H H 8.2000 0.0000 1 26 28 7 GLN HA H 4.2990 0.0000 1 27 28 7 GLN C C 176.2000 0.0000 1 28 28 7 GLN CA C 56.7500 0.0000 1 29 28 7 GLN N N 119.9130 0.0000 1 30 29 8 VAL H H 8.0350 0.0000 1 31 29 8 VAL HA H 4.2500 0.0000 1 32 29 8 VAL C C 175.6000 0.0000 1 33 29 8 VAL CA C 62.4300 0.0000 1 34 29 8 VAL N N 119.5930 0.0000 1 35 30 9 GLU H H 8.4130 0.0000 1 36 30 9 GLU HA H 4.2370 0.0000 1 37 30 9 GLU HB2 H 2.1300 0.0000 2 38 30 9 GLU HB3 H 2.1300 0.0000 2 39 30 9 GLU C C 176.4000 0.0000 1 40 30 9 GLU N N 123.9350 0.0000 1 41 31 10 GLY H H 8.2360 0.0000 1 42 31 10 GLY HA2 H 4.1590 0.0000 2 43 31 10 GLY HA3 H 4.1590 0.0000 2 44 31 10 GLY CA C 45.5000 0.0000 1 45 31 10 GLY N N 108.8000 0.0000 1 46 32 11 GLU H H 10.6080 0.0000 1 47 32 11 GLU HB2 H 2.1460 0.0000 2 48 32 11 GLU HB3 H 2.1460 0.0000 2 49 32 11 GLU C C 175.8000 0.0000 1 50 32 11 GLU N N 121.6930 0.0000 1 51 33 12 VAL H H 8.1220 0.0000 1 52 33 12 VAL HA H 5.2400 0.0000 1 53 33 12 VAL HB H 2.2490 0.0000 1 54 33 12 VAL HG1 H 1.1220 0.0000 2 55 33 12 VAL HG2 H 1.0700 0.0000 2 56 33 12 VAL C C 174.8000 0.0000 1 57 33 12 VAL CA C 60.6200 0.0000 1 58 33 12 VAL CG1 C 23.0000 0.0000 1 59 33 12 VAL CG2 C 22.6500 0.0000 1 60 33 12 VAL N N 115.3510 0.0000 1 61 34 13 GLN H H 9.1390 0.0000 1 62 34 13 GLN HA H 4.9690 0.0000 1 63 34 13 GLN HB2 H 1.9800 0.0000 2 64 34 13 GLN HB3 H 1.9800 0.0000 2 65 34 13 GLN C C 173.9000 0.0000 1 66 34 13 GLN CA C 53.8210 0.0000 1 67 34 13 GLN N N 124.1740 0.0000 1 68 35 14 VAL H H 8.5610 0.0000 1 69 35 14 VAL HA H 4.5950 0.0000 1 70 35 14 VAL HB H 1.9900 0.0000 1 71 35 14 VAL HG1 H 1.0060 0.0000 2 72 35 14 VAL HG2 H 0.9150 0.0000 2 73 35 14 VAL C C 176.1000 0.0000 1 74 35 14 VAL CA C 63.4000 0.0000 1 75 35 14 VAL CB C 32.7000 0.0000 1 76 35 14 VAL CG1 C 21.7000 0.0000 1 77 35 14 VAL N N 122.1850 0.0000 1 78 36 15 VAL H H 8.9990 0.0000 1 79 36 15 VAL HA H 4.9410 0.0000 1 80 36 15 VAL HB H 1.7160 0.0000 1 81 36 15 VAL HG1 H 0.8500 0.0000 2 82 36 15 VAL HG2 H 0.1990 0.0000 2 83 36 15 VAL C C 174.0000 0.0000 1 84 36 15 VAL CA C 59.5000 0.0000 1 85 36 15 VAL CG1 C 22.6560 0.0000 1 86 36 15 VAL CG2 C 19.8000 0.0000 1 87 36 15 VAL N N 122.4380 0.0000 1 88 37 16 SER H H 8.8480 0.0000 1 89 37 16 SER HA H 5.2790 0.0000 1 90 37 16 SER HB2 H 3.8800 0.0000 2 91 37 16 SER HB3 H 3.8800 0.0000 2 92 37 16 SER C C 174.6000 0.0000 1 93 37 16 SER CA C 57.5450 0.0000 1 94 37 16 SER CB C 67.1600 0.0000 1 95 37 16 SER N N 112.3140 0.0000 1 96 38 17 THR H H 8.9240 0.0000 1 97 38 17 THR HA H 4.9800 0.0000 1 98 38 17 THR HB H 4.8800 0.0000 1 99 38 17 THR HG2 H 1.4400 0.0000 1 100 38 17 THR CA C 59.9700 0.0000 1 101 38 17 THR CB C 71.3000 0.0000 1 102 38 17 THR CG2 C 22.8000 0.0000 1 103 38 17 THR N N 114.1810 0.0000 1 104 39 18 ALA HA H 4.2870 0.0000 1 105 39 18 ALA HB H 1.6700 0.0000 1 106 39 18 ALA C C 179.3000 0.0000 1 107 39 18 ALA CA C 55.3800 0.0000 1 108 39 18 ALA CB C 19.4000 0.0000 1 109 40 19 THR H H 7.8730 0.0000 1 110 40 19 THR HA H 4.6870 0.0000 1 111 40 19 THR HB H 4.4500 0.0000 1 112 40 19 THR HG2 H 1.2690 0.0000 1 113 40 19 THR C C 175.2000 0.0000 1 114 40 19 THR CA C 61.7000 0.0000 1 115 40 19 THR CB C 71.2500 0.0000 1 116 40 19 THR CG2 C 22.5000 0.0000 1 117 40 19 THR N N 102.1570 0.0000 1 118 41 20 GLN H H 7.7210 0.0000 1 119 41 20 GLN HA H 5.0830 0.0000 1 120 41 20 GLN HB2 H 2.3700 0.0000 2 121 41 20 GLN HB3 H 2.2400 0.0000 2 122 41 20 GLN HG2 H 2.5400 0.0000 2 123 41 20 GLN HG3 H 2.5400 0.0000 2 124 41 20 GLN C C 173.9800 0.0000 1 125 41 20 GLN CA C 55.4800 0.0000 1 126 41 20 GLN CB C 34.3000 0.0000 1 127 41 20 GLN CG C 34.5000 0.0000 1 128 41 20 GLN N N 120.1050 0.0000 1 129 42 21 SER H H 8.2430 0.0000 1 130 42 21 SER HA H 5.2900 0.0000 1 131 42 21 SER HB2 H 3.8100 0.0000 2 132 42 21 SER HB3 H 3.8800 0.0000 2 133 42 21 SER CA C 57.6000 0.0000 1 134 42 21 SER CB C 65.8000 0.0000 1 135 42 21 SER N N 113.9920 0.0000 1 136 43 22 PHE H H 8.6250 0.0000 1 137 43 22 PHE HA H 5.4910 0.0000 1 138 43 22 PHE HB2 H 3.8170 0.0000 2 139 43 22 PHE HB3 H 3.8170 0.0000 2 140 43 22 PHE HD1 H 7.1200 0.0000 3 141 43 22 PHE HD2 H 7.1200 0.0000 3 142 43 22 PHE HE1 H 7.1600 0.0000 3 143 43 22 PHE HE2 H 7.1600 0.0000 3 144 43 22 PHE HZ H 6.5820 0.0000 1 145 43 22 PHE C C 172.6000 0.0000 1 146 43 22 PHE CA C 56.7000 0.0000 1 147 43 22 PHE N N 123.3000 0.0000 1 148 44 23 LEU HA H 5.7680 0.0000 1 149 44 23 LEU HB2 H 1.2870 0.0000 2 150 44 23 LEU HB3 H 1.9800 0.0000 2 151 44 23 LEU HG H 0.9400 0.0000 1 152 44 23 LEU HD1 H 0.9010 0.0000 2 153 44 23 LEU HD2 H 0.9060 0.0000 2 154 44 23 LEU C C 175.8000 0.0000 1 155 44 23 LEU CA C 54.1000 0.0000 1 156 44 23 LEU CG C 24.5000 0.0000 1 157 44 23 LEU CD1 C 25.4000 0.0000 1 158 44 23 LEU CD2 C 24.6000 0.0000 1 159 45 24 ALA H H 9.0380 0.0000 1 160 45 24 ALA HA H 5.4610 0.0000 1 161 45 24 ALA HB H 1.3210 0.0000 1 162 45 24 ALA CA C 51.3600 0.0000 1 163 45 24 ALA CB C 23.8000 0.0000 1 164 45 24 ALA N N 121.2800 0.0000 1 165 46 25 THR H H 9.1700 0.0000 1 166 46 25 THR HA H 5.2310 0.0000 1 167 46 25 THR HB H 3.8600 0.0000 1 168 46 25 THR HG2 H 1.1120 0.0000 1 169 46 25 THR CA C 63.0000 0.0000 1 170 46 25 THR CB C 72.0000 0.0000 1 171 46 25 THR CG2 C 23.1600 0.0000 1 172 46 25 THR N N 119.4440 0.0000 1 173 47 26 CYS H H 9.5080 0.0000 1 174 47 26 CYS HA H 5.2700 0.0000 1 175 47 26 CYS HB2 H 3.2400 0.0000 2 176 47 26 CYS HB3 H 3.4300 0.0000 2 177 47 26 CYS CA C 57.2600 0.0000 1 178 47 26 CYS N N 129.4820 0.0000 1 179 48 27 VAL HA H 4.7500 0.0000 1 180 48 27 VAL HB H 2.3300 0.0000 1 181 48 27 VAL HG1 H 0.8840 0.0000 2 182 48 27 VAL HG2 H 0.8700 0.0000 2 183 48 27 VAL CA C 61.2000 0.0000 1 184 48 27 VAL CB C 34.3000 0.0000 1 185 48 27 VAL CG1 C 21.2800 0.0000 1 186 48 27 VAL CG2 C 21.2800 0.0000 1 187 49 28 ASN H H 9.2480 0.0000 1 188 49 28 ASN HA H 4.6640 0.0000 1 189 49 28 ASN HB2 H 2.6200 0.0000 2 190 49 28 ASN HB3 H 3.5200 0.0000 2 191 49 28 ASN C C 175.2000 0.0000 1 192 49 28 ASN CA C 54.2900 0.0000 1 193 49 28 ASN CB C 38.2700 0.0000 1 194 49 28 ASN N N 128.2370 0.0000 1 195 50 29 GLY H H 8.2730 0.0000 1 196 50 29 GLY HA2 H 4.1600 0.0000 2 197 50 29 GLY HA3 H 3.5100 0.0000 2 198 50 29 GLY C C 172.9000 0.0000 1 199 50 29 GLY CA C 46.6000 0.0000 1 200 50 29 GLY N N 102.2600 0.0000 1 201 51 30 VAL H H 7.7550 0.0000 1 202 51 30 VAL HA H 4.1150 0.0000 1 203 51 30 VAL HB H 1.9900 0.0000 1 204 51 30 VAL HG1 H -0.2700 0.0000 2 205 51 30 VAL HG2 H 0.9460 0.0000 2 206 51 30 VAL C C 173.9000 0.0000 1 207 51 30 VAL CA C 61.8000 0.0000 1 208 51 30 VAL CB C 35.4000 0.0000 1 209 51 30 VAL CG1 C 21.0000 0.0000 1 210 51 30 VAL CG2 C 22.6000 0.0000 1 211 51 30 VAL N N 123.4850 0.0000 1 212 52 31 CYS H H 8.5420 0.0000 1 213 52 31 CYS C C 171.9000 0.0000 1 214 52 31 CYS N N 125.6000 0.0000 1 215 53 32 TRP H H 8.6460 0.0000 1 216 53 32 TRP HA H 5.4700 0.0000 1 217 53 32 TRP HB2 H 3.0000 0.0000 2 218 53 32 TRP HB3 H 3.3900 0.0000 2 219 53 32 TRP HE1 H 10.3330 0.0000 1 220 53 32 TRP C C 175.4000 0.0000 1 221 53 32 TRP CA C 55.8000 0.0000 1 222 53 32 TRP CB C 34.7000 0.0000 1 223 53 32 TRP N N 120.6090 0.0000 1 224 53 32 TRP NE1 N 130.2190 0.0000 1 225 54 33 THR H H 9.7310 0.0000 1 226 54 33 THR HA H 4.8750 0.0000 1 227 54 33 THR HB H 4.4300 0.0000 1 228 54 33 THR HG2 H 1.4600 0.0000 1 229 54 33 THR C C 173.4000 0.0000 1 230 54 33 THR CA C 60.4000 0.0000 1 231 54 33 THR CB C 69.9000 0.0000 1 232 54 33 THR CG2 C 20.0330 0.0000 1 233 54 33 THR N N 115.6940 0.0000 1 234 55 34 VAL H H 8.4750 0.0000 1 235 55 34 VAL HA H 5.4400 0.0000 1 236 55 34 VAL HB H 1.7050 0.0000 1 237 55 34 VAL HG1 H 1.1600 0.0000 2 238 55 34 VAL HG2 H 0.1140 0.0000 2 239 55 34 VAL C C 178.0000 0.0000 1 240 55 34 VAL CA C 57.9000 0.0000 1 241 55 34 VAL CB C 32.4000 0.0000 1 242 55 34 VAL CG1 C 22.6000 0.0000 1 243 55 34 VAL CG2 C 17.0400 0.0000 1 244 55 34 VAL N N 110.1620 0.0000 1 245 56 35 TYR H H 7.2560 0.0000 1 246 56 35 TYR HA H 3.8100 0.0000 1 247 56 35 TYR HB2 H 3.2800 0.0000 2 248 56 35 TYR HB3 H 2.8000 0.0000 2 249 56 35 TYR HD1 H 6.9800 0.0000 3 250 56 35 TYR HD2 H 6.9800 0.0000 3 251 56 35 TYR HE1 H 7.0300 0.0000 3 252 56 35 TYR HE2 H 7.0320 0.0000 3 253 56 35 TYR C C 179.0000 0.0000 1 254 56 35 TYR CA C 60.9400 0.0000 1 255 56 35 TYR CB C 37.9000 0.0000 1 256 56 35 TYR CD1 C 133.2000 0.0000 3 257 56 35 TYR CD2 C 133.2000 0.0000 3 258 56 35 TYR CE1 C 118.2000 0.0000 3 259 56 35 TYR CE2 C 119.6000 0.0000 3 260 56 35 TYR N N 126.6600 0.0000 1 261 57 36 HIS H H 9.4520 0.0000 1 262 57 36 HIS HA H 3.8540 0.0000 1 263 57 36 HIS HB2 H 3.0770 0.0000 2 264 57 36 HIS HB3 H 1.6450 0.0000 2 265 57 36 HIS HD1 H 12.7000 0.0000 1 266 57 36 HIS HD2 H 6.7500 0.0000 1 267 57 36 HIS HE1 H 8.0770 0.0000 1 268 57 36 HIS HE2 H 16.9200 0.0000 1 269 57 36 HIS C C 175.1000 0.0000 1 270 57 36 HIS CA C 59.1500 0.0000 1 271 57 36 HIS CB C 28.9000 0.0000 1 272 57 36 HIS CD2 C 116.8000 0.0000 1 273 57 36 HIS CE1 C 136.8000 0.0000 1 274 57 36 HIS N N 117.5930 0.0000 1 275 57 36 HIS ND1 N 239.2000 0.0000 1 276 57 36 HIS NE2 N 172.6000 0.0000 1 277 58 37 GLY H H 6.0860 0.0000 1 278 58 37 GLY HA2 H 3.4270 0.0000 2 279 58 37 GLY HA3 H 1.7800 0.0000 2 280 58 37 GLY C C 172.3000 0.0000 1 281 58 37 GLY CA C 45.6000 0.0000 1 282 58 37 GLY N N 104.8030 0.0000 1 283 59 38 ALA H H 7.4900 0.0000 1 284 59 38 ALA HA H 4.2280 0.0000 1 285 59 38 ALA HB H 1.4490 0.0000 1 286 59 38 ALA C C 177.7000 0.0000 1 287 59 38 ALA CA C 53.6220 0.0000 1 288 59 38 ALA CB C 22.2000 0.0000 1 289 59 38 ALA N N 121.9540 0.0000 1 290 60 39 GLY H H 8.6240 0.0000 1 291 60 39 GLY HA2 H 4.0000 0.0000 2 292 60 39 GLY HA3 H 4.0000 0.0000 2 293 60 39 GLY CA C 46.8000 0.0000 1 294 60 39 GLY N N 107.3950 0.0000 1 295 61 40 SER HA H 4.3600 0.0000 1 296 61 40 SER HB2 H 4.1200 0.0000 2 297 61 40 SER HB3 H 4.1200 0.0000 2 298 61 40 SER C C 174.2000 0.0000 1 299 61 40 SER CA C 59.6000 0.0000 1 300 61 40 SER CB C 63.8000 0.0000 1 301 62 41 LYS H H 7.9080 0.0000 1 302 62 41 LYS HA H 4.6400 0.0000 1 303 62 41 LYS HB2 H 1.7500 0.0000 2 304 62 41 LYS HB3 H 2.0740 0.0000 2 305 62 41 LYS HG2 H 1.5200 0.0000 2 306 62 41 LYS HG3 H 1.4600 0.0000 2 307 62 41 LYS C C 176.3000 0.0000 1 308 62 41 LYS CA C 55.2000 0.0000 1 309 62 41 LYS N N 120.7620 0.0000 1 310 63 42 THR H H 8.0910 0.0000 1 311 63 42 THR HA H 4.3000 0.0000 1 312 63 42 THR HB H 4.1400 0.0000 1 313 63 42 THR HG2 H 1.2700 0.0000 1 314 63 42 THR C C 173.5000 0.0000 1 315 63 42 THR CA C 63.4000 0.0000 1 316 63 42 THR CB C 69.5000 0.0000 1 317 63 42 THR CG2 C 22.0000 0.0000 1 318 63 42 THR N N 115.5830 0.0000 1 319 64 43 LEU HA H 4.6600 0.0000 1 320 64 43 LEU HB2 H 1.0900 0.0000 2 321 64 43 LEU HB3 H 1.4910 0.0000 2 322 64 43 LEU HD1 H 0.6850 0.0000 2 323 64 43 LEU HD2 H 0.5600 0.0000 2 324 64 43 LEU CA C 53.9000 0.0000 1 325 64 43 LEU CB C 46.7000 0.0000 1 326 64 43 LEU CD1 C 25.6000 0.0000 1 327 64 43 LEU CD2 C 26.3000 0.0000 1 328 65 44 ALA H H 8.9000 0.0000 1 329 65 44 ALA HA H 4.6200 0.0000 1 330 65 44 ALA HB H 1.3060 0.0000 1 331 65 44 ALA C C 176.6000 0.0000 1 332 65 44 ALA CA C 51.6700 0.0000 1 333 65 44 ALA CB C 22.2380 0.0000 1 334 65 44 ALA N N 127.0000 0.0000 1 335 66 45 GLY H H 7.9420 0.0000 1 336 66 45 GLY HA2 H 4.0100 0.0000 2 337 66 45 GLY HA3 H 4.7500 0.0000 2 338 66 45 GLY C C 173.5000 0.0000 1 339 66 45 GLY CA C 44.7600 0.0000 1 340 66 45 GLY N N 109.8150 0.0000 1 341 67 46 PRO HA H 4.4400 0.0000 1 342 67 46 PRO HB2 H 2.0180 0.0000 2 343 67 46 PRO HB3 H 2.5400 0.0000 2 344 67 46 PRO HG2 H 2.2400 0.0000 2 345 67 46 PRO HG3 H 2.1800 0.0000 2 346 67 46 PRO HD2 H 3.8200 0.0000 2 347 67 46 PRO HD3 H 3.8200 0.0000 2 348 67 46 PRO C C 178.0000 0.0000 1 349 67 46 PRO CA C 65.1000 0.0000 1 350 67 46 PRO CB C 32.9000 0.0000 1 351 67 46 PRO CG C 27.9000 0.0000 1 352 67 46 PRO CD C 51.6000 0.0000 1 353 68 47 LYS H H 8.7070 0.0000 1 354 68 47 LYS HA H 4.6500 0.0000 1 355 68 47 LYS HB2 H 1.7900 0.0000 2 356 68 47 LYS HB3 H 2.1200 0.0000 2 357 68 47 LYS HG2 H 1.4400 0.0000 2 358 68 47 LYS HG3 H 1.5400 0.0000 2 359 68 47 LYS HD2 H 3.0800 0.0000 2 360 68 47 LYS HD3 H 3.0800 0.0000 2 361 68 47 LYS C C 176.5000 0.0000 1 362 68 47 LYS CA C 54.9000 0.0000 1 363 68 47 LYS CB C 32.7000 0.0000 1 364 68 47 LYS CG C 25.4000 0.0000 1 365 68 47 LYS CD C 42.4000 0.0000 1 366 68 47 LYS N N 115.6120 0.0000 1 367 69 48 GLY H H 7.6370 0.0000 1 368 69 48 GLY HA2 H 4.6710 0.0000 2 369 69 48 GLY HA3 H 3.8900 0.0000 2 370 69 48 GLY C C 171.6000 0.0000 1 371 69 48 GLY CA C 44.3000 0.0000 1 372 69 48 GLY N N 108.9220 0.0000 1 373 70 49 PRO HA H 4.6290 0.0000 1 374 70 49 PRO HB2 H 1.8730 0.0000 2 375 70 49 PRO HB3 H 2.3250 0.0000 2 376 70 49 PRO HG2 H 2.1790 0.0000 2 377 70 49 PRO HG3 H 2.0860 0.0000 2 378 70 49 PRO HD2 H 3.6900 0.0000 2 379 70 49 PRO HD3 H 3.6900 0.0000 2 380 70 49 PRO C C 176.0000 0.0000 1 381 70 49 PRO CA C 63.2550 0.0000 1 382 70 49 PRO CB C 32.8000 0.0000 1 383 70 49 PRO CG C 27.5000 0.0000 1 384 70 49 PRO CD C 50.3600 0.0000 1 385 71 50 ILE H H 8.3520 0.0000 1 386 71 50 ILE HA H 3.8030 0.0000 1 387 71 50 ILE HB H 1.1600 0.0000 1 388 71 50 ILE HG12 H 0.8600 0.0000 2 389 71 50 ILE HG13 H 0.8600 0.0000 2 390 71 50 ILE HD1 H 0.3000 0.0000 1 391 71 50 ILE CA C 60.9600 0.0000 1 392 71 50 ILE CD1 C 13.8000 0.0000 1 393 71 50 ILE N N 124.7070 0.0000 1 394 72 51 THR HA H 4.3100 0.0000 1 395 72 51 THR HB H 4.0240 0.0000 1 396 72 51 THR HG2 H 1.2010 0.0000 1 397 72 51 THR CA C 61.7700 0.0000 1 398 72 51 THR CB C 69.8000 0.0000 1 399 72 51 THR CG2 C 21.5000 0.0000 1 400 74 53 MET C C 175.0000 0.0000 1 401 75 54 TYR H H 8.3190 0.0000 1 402 75 54 TYR HA H 5.6000 0.0000 1 403 75 54 TYR HB2 H 2.5660 0.0000 2 404 75 54 TYR HB3 H 3.2500 0.0000 2 405 75 54 TYR HD1 H 6.7200 0.0000 3 406 75 54 TYR HD2 H 6.7200 0.0000 3 407 75 54 TYR C C 175.9000 0.0000 1 408 75 54 TYR CA C 54.9500 0.0000 1 409 75 54 TYR CB C 41.9400 0.0000 1 410 75 54 TYR N N 119.7590 0.0000 1 411 76 55 THR H H 9.0090 0.0000 1 412 76 55 THR HA H 5.2100 0.0000 1 413 76 55 THR HB H 4.1900 0.0000 1 414 76 55 THR HG2 H 1.4600 0.0000 1 415 76 55 THR C C 173.6000 0.0000 1 416 76 55 THR CA C 62.5000 0.0000 1 417 76 55 THR CB C 72.7000 0.0000 1 418 76 55 THR CG2 C 22.5200 0.0000 1 419 76 55 THR N N 117.1160 0.0000 1 420 77 56 ASN H H 9.3610 0.0000 1 421 77 56 ASN HA H 4.9610 0.0000 1 422 77 56 ASN HB2 H 2.8920 0.0000 2 423 77 56 ASN HB3 H 2.9090 0.0000 2 424 77 56 ASN CA C 52.2000 0.0000 1 425 77 56 ASN CB C 39.1500 0.0000 1 426 77 56 ASN N N 123.5580 0.0000 1 427 78 57 VAL HA H 3.2000 0.0000 1 428 78 57 VAL HB H 1.9310 0.0000 1 429 78 57 VAL HG1 H 0.8580 0.0000 2 430 78 57 VAL HG2 H 0.6430 0.0000 2 431 78 57 VAL C C 178.7000 0.0000 1 432 78 57 VAL CA C 67.4700 0.0000 1 433 78 57 VAL CB C 31.8000 0.0000 1 434 78 57 VAL CG1 C 21.2000 0.0000 1 435 78 57 VAL CG2 C 21.9000 0.0000 1 436 79 58 ASP H H 8.2000 0.0000 1 437 79 58 ASP HA H 4.5610 0.0000 1 438 79 58 ASP HB2 H 2.8300 0.0000 2 439 79 58 ASP HB3 H 2.9090 0.0000 2 440 79 58 ASP C C 178.4000 0.0000 1 441 79 58 ASP CA C 57.8000 0.0000 1 442 79 58 ASP CB C 41.2500 0.0000 1 443 79 58 ASP N N 119.9130 0.0000 1 444 80 59 GLN H H 7.2930 0.0000 1 445 80 59 GLN HA H 4.4300 0.0000 1 446 80 59 GLN HB2 H 1.4100 0.0000 2 447 80 59 GLN HB3 H 2.5050 0.0000 2 448 80 59 GLN HG2 H 2.3630 0.0000 2 449 80 59 GLN HG3 H 2.3630 0.0000 2 450 80 59 GLN C C 175.4000 0.0000 1 451 80 59 GLN CA C 54.6000 0.0000 1 452 80 59 GLN CB C 29.3700 0.0000 1 453 80 59 GLN CG C 33.5000 0.0000 1 454 80 59 GLN N N 113.9300 0.0000 1 455 81 60 ASP H H 8.4340 0.0000 1 456 81 60 ASP HA H 4.2800 0.0000 1 457 81 60 ASP HB2 H 2.9170 0.0000 2 458 81 60 ASP HB3 H 2.9170 0.0000 2 459 81 60 ASP CA C 54.5000 0.0000 1 460 81 60 ASP CB C 38.1930 0.0000 1 461 81 60 ASP N N 117.2630 0.0000 1 462 82 61 LEU HA H 5.7630 0.0000 1 463 82 61 LEU HB2 H 1.9070 0.0000 2 464 82 61 LEU HB3 H 1.5260 0.0000 2 465 82 61 LEU HD1 H 0.5960 0.0000 2 466 82 61 LEU HD2 H 0.9800 0.0000 2 467 82 61 LEU C C 176.7000 0.0000 1 468 82 61 LEU CA C 54.2000 0.0000 1 469 82 61 LEU CB C 49.1800 0.0000 1 470 82 61 LEU CD1 C 24.8720 0.0000 1 471 82 61 LEU CD2 C 24.9000 0.0000 1 472 83 62 VAL H H 8.9020 0.0000 1 473 83 62 VAL HA H 5.4600 0.0000 1 474 83 62 VAL HB H 1.7600 0.0000 1 475 83 62 VAL HG1 H 1.1740 0.0000 2 476 83 62 VAL HG2 H 0.8670 0.0000 2 477 83 62 VAL C C 174.5000 0.0000 1 478 83 62 VAL CA C 61.2000 0.0000 1 479 83 62 VAL CG1 C 22.6000 0.0000 1 480 83 62 VAL CG2 C 17.8000 0.0000 1 481 83 62 VAL N N 120.9670 0.0000 1 482 84 63 GLY H H 9.3510 0.0000 1 483 84 63 GLY HA2 H 2.9240 0.0000 2 484 84 63 GLY HA3 H 5.2940 0.0000 2 485 84 63 GLY C C 174.1000 0.0000 1 486 84 63 GLY CA C 46.4900 0.0000 1 487 84 63 GLY N N 111.2220 0.0000 1 488 85 64 TRP H H 8.5350 0.0000 1 489 85 64 TRP HA H 4.6350 0.0000 1 490 85 64 TRP HB2 H 3.6100 0.0000 2 491 85 64 TRP HB3 H 3.1100 0.0000 2 492 85 64 TRP HD1 H 6.9110 0.0000 1 493 85 64 TRP HE1 H 10.4870 0.0000 1 494 85 64 TRP HE3 H 7.4800 0.0000 1 495 85 64 TRP HZ2 H 6.5400 0.0000 1 496 85 64 TRP HZ3 H 6.6520 0.0000 1 497 85 64 TRP HH2 H 6.9900 0.0000 1 498 85 64 TRP CB C 31.8600 0.0000 1 499 85 64 TRP CD1 C 127.1000 0.0000 1 500 85 64 TRP CE3 C 121.0000 0.0000 1 501 85 64 TRP CZ2 C 122.6000 0.0000 1 502 85 64 TRP CZ3 C 118.8000 0.0000 1 503 85 64 TRP CH2 C 113.9000 0.0000 1 504 85 64 TRP N N 119.1110 0.0000 1 505 85 64 TRP NE1 N 131.1130 0.0000 1 506 86 65 GLN HA H 4.1300 0.0000 1 507 86 65 GLN HB2 H 2.2300 0.0000 2 508 86 65 GLN HB3 H 2.2300 0.0000 2 509 86 65 GLN HG2 H 2.6610 0.0000 2 510 86 65 GLN HG3 H 2.6610 0.0000 2 511 86 65 GLN CA C 57.8000 0.0000 1 512 86 65 GLN CB C 29.5500 0.0000 1 513 87 66 ALA H H 8.2970 0.0000 1 514 87 66 ALA HA H 4.5920 0.0000 1 515 87 66 ALA HB H 1.3080 0.0000 1 516 87 66 ALA C C 175.0000 0.0000 1 517 87 66 ALA CA C 51.1300 0.0000 1 518 87 66 ALA CB C 18.9010 0.0000 1 519 87 66 ALA N N 129.2680 0.0000 1 520 89 68 PRO HA H 4.4300 0.0000 1 521 89 68 PRO HB2 H 1.9900 0.0000 2 522 89 68 PRO HB3 H 2.4070 0.0000 2 523 89 68 PRO HG2 H 2.7170 0.0000 2 524 89 68 PRO HG3 H 2.1720 0.0000 2 525 89 68 PRO HD2 H 3.7000 0.0000 2 526 89 68 PRO HD3 H 3.9580 0.0000 2 527 89 68 PRO C C 178.6000 0.0000 1 528 89 68 PRO CA C 64.2400 0.0000 1 529 89 68 PRO CB C 31.7800 0.0000 1 530 89 68 PRO CG C 28.1000 0.0000 1 531 89 68 PRO CD C 50.7600 0.0000 1 532 90 69 GLY HA2 H 4.1930 0.0000 2 533 90 69 GLY HA3 H 3.7850 0.0000 2 534 90 69 GLY C C 174.5000 0.0000 1 535 90 69 GLY CA C 45.4300 0.0000 1 536 91 70 ALA H H 7.4980 0.0000 1 537 91 70 ALA HA H 4.2900 0.0000 1 538 91 70 ALA HB H 1.4400 0.0000 1 539 91 70 ALA CA C 52.8700 0.0000 1 540 91 70 ALA CB C 20.1800 0.0000 1 541 91 70 ALA N N 123.0880 0.0000 1 542 92 71 ARG H H 8.4750 0.0000 1 543 92 71 ARG HA H 4.3130 0.0000 1 544 92 71 ARG HB2 H 1.5500 0.0000 2 545 92 71 ARG HB3 H 1.9300 0.0000 2 546 92 71 ARG HG2 H 1.7600 0.0000 2 547 92 71 ARG HG3 H 1.7600 0.0000 2 548 92 71 ARG CA C 57.6000 0.0000 1 549 92 71 ARG N N 123.2140 0.0000 1 550 93 72 SER H H 8.2250 0.0000 1 551 93 72 SER HA H 4.6600 0.0000 1 552 93 72 SER HB2 H 3.7670 0.0000 2 553 93 72 SER HB3 H 3.7670 0.0000 2 554 93 72 SER CA C 57.4300 0.0000 1 555 93 72 SER CB C 66.6000 0.0000 1 556 93 72 SER N N 113.2910 0.0000 1 557 94 73 LEU HA H 5.0500 0.0000 1 558 94 73 LEU HB2 H 1.9890 0.0000 2 559 94 73 LEU HB3 H 1.9890 0.0000 2 560 94 73 LEU HG H 1.7400 0.0000 1 561 94 73 LEU HD1 H 0.9200 0.0000 2 562 94 73 LEU HD2 H 1.1910 0.0000 2 563 94 73 LEU C C 176.6000 0.0000 1 564 94 73 LEU CD1 C 27.2000 0.0000 1 565 94 73 LEU CD2 C 23.7700 0.0000 1 566 95 74 THR H H 9.3890 0.0000 1 567 95 74 THR HA H 4.9830 0.0000 1 568 95 74 THR HB H 4.2170 0.0000 1 569 95 74 THR HG2 H 1.3400 0.0000 1 570 95 74 THR C C 173.1000 0.0000 1 571 95 74 THR CA C 60.1500 0.0000 1 572 95 74 THR CB C 71.3000 0.0000 1 573 95 74 THR CG2 C 21.3000 0.0000 1 574 95 74 THR N N 119.8120 0.0000 1 575 96 75 PRO HA H 4.7350 0.0000 1 576 96 75 PRO HB2 H 1.8860 0.0000 2 577 96 75 PRO HB3 H 2.2610 0.0000 2 578 96 75 PRO HD2 H 3.6930 0.0000 2 579 96 75 PRO HD3 H 3.9630 0.0000 2 580 96 75 PRO C C 175.2000 0.0000 1 581 96 75 PRO CA C 63.2000 0.0000 1 582 97 76 CYS HB2 H 3.1570 0.0000 2 583 97 76 CYS HB3 H 3.2260 0.0000 2 584 97 76 CYS CB C 31.3520 0.0000 1 585 100 79 GLY H H 8.0830 0.0000 1 586 100 79 GLY HA2 H 3.9500 0.0000 2 587 100 79 GLY HA3 H 3.9600 0.0000 2 588 100 79 GLY C C 175.2000 0.0000 1 589 100 79 GLY CA C 46.9000 0.0000 1 590 101 80 SER H H 7.8440 0.0000 1 591 101 80 SER HA H 4.3950 0.0000 1 592 101 80 SER HB2 H 4.1630 0.0000 2 593 101 80 SER HB3 H 4.1630 0.0000 2 594 101 80 SER C C 176.9000 0.0000 1 595 101 80 SER CA C 59.4900 0.0000 1 596 101 80 SER CB C 63.8000 0.0000 1 597 101 80 SER N N 114.7180 0.0000 1 598 102 81 SER H H 8.4260 0.0000 1 599 102 81 SER HA H 4.6730 0.0000 1 600 102 81 SER HB2 H 4.1160 0.0000 2 601 102 81 SER HB3 H 4.1160 0.0000 2 602 102 81 SER C C 173.5000 0.0000 1 603 102 81 SER CA C 59.4400 0.0000 1 604 102 81 SER CB C 64.4000 0.0000 1 605 102 81 SER N N 111.3010 0.0000 1 606 103 82 ASP H H 8.1920 0.0000 1 607 103 82 ASP HA H 4.9240 0.0000 1 608 103 82 ASP HB2 H 2.7010 0.0000 2 609 103 82 ASP HB3 H 2.6600 0.0000 2 610 103 82 ASP C C 172.8000 0.0000 1 611 103 82 ASP CA C 55.0070 0.0000 1 612 103 82 ASP CB C 41.5000 0.0000 1 613 103 82 ASP N N 124.1040 0.0000 1 614 104 83 LEU H H 8.2390 0.0000 1 615 104 83 LEU HA H 5.2000 0.0000 1 616 104 83 LEU HB2 H 1.0020 0.0000 2 617 104 83 LEU HB3 H 1.4280 0.0000 2 618 104 83 LEU HG H 1.4870 0.0000 1 619 104 83 LEU HD1 H 0.5100 0.0000 2 620 104 83 LEU HD2 H 0.7720 0.0000 2 621 104 83 LEU C C 176.6000 0.0000 1 622 104 83 LEU CA C 52.0000 0.0000 1 623 104 83 LEU CB C 46.6300 0.0000 1 624 104 83 LEU CG C 26.6000 0.0000 1 625 104 83 LEU CD1 C 26.7000 0.0000 1 626 104 83 LEU CD2 C 24.4000 0.0000 1 627 104 83 LEU N N 120.0560 0.0000 1 628 105 84 TYR H H 9.1080 0.0000 1 629 105 84 TYR HA H 4.8760 0.0000 1 630 105 84 TYR HB2 H 2.4700 0.0000 2 631 105 84 TYR HB3 H 2.6310 0.0000 2 632 105 84 TYR HD1 H 6.6830 0.0000 3 633 105 84 TYR HD2 H 6.6830 0.0000 3 634 105 84 TYR C C 174.5000 0.0000 1 635 105 84 TYR CA C 57.7000 0.0000 1 636 105 84 TYR CB C 41.4000 0.0000 1 637 105 84 TYR N N 118.2050 0.0000 1 638 106 85 LEU H H 9.2070 0.0000 1 639 106 85 LEU HA H 5.0940 0.0000 1 640 106 85 LEU HB2 H 1.0000 0.0000 2 641 106 85 LEU HB3 H 1.7600 0.0000 2 642 106 85 LEU HG H 1.2260 0.0000 1 643 106 85 LEU HD1 H 0.4780 0.0000 2 644 106 85 LEU HD2 H 0.2180 0.0000 2 645 106 85 LEU C C 175.3000 0.0000 1 646 106 85 LEU CA C 54.2000 0.0000 1 647 106 85 LEU CB C 44.9000 0.0000 1 648 106 85 LEU CG C 27.5000 0.0000 1 649 106 85 LEU CD1 C 24.4400 0.0000 1 650 106 85 LEU CD2 C 25.9250 0.0000 1 651 106 85 LEU N N 126.8400 0.0000 1 652 107 86 VAL H H 7.9030 0.0000 1 653 107 86 VAL HA H 4.8540 0.0000 1 654 107 86 VAL HB H 1.9740 0.0000 1 655 107 86 VAL HG1 H 0.9500 0.0000 2 656 107 86 VAL HG2 H 0.8800 0.0000 2 657 107 86 VAL C C 174.6000 0.0000 1 658 107 86 VAL CA C 62.0000 0.0000 1 659 107 86 VAL CG1 C 22.4000 0.0000 1 660 107 86 VAL N N 127.7600 0.0000 1 661 108 87 THR H H 7.9390 0.0000 1 662 108 87 THR HA H 4.7500 0.0000 1 663 108 87 THR HB H 4.7400 0.0000 1 664 108 87 THR HG2 H 1.2720 0.0000 1 665 108 87 THR C C 176.8000 0.0000 1 666 108 87 THR CA C 60.0400 0.0000 1 667 108 87 THR CB C 72.5220 0.0000 1 668 108 87 THR CG2 C 22.3220 0.0000 1 669 108 87 THR N N 111.4440 0.0000 1 670 109 88 ARG H H 9.0090 0.0000 1 671 109 88 ARG HA H 4.1250 0.0000 1 672 109 88 ARG HB2 H 1.5000 0.0000 2 673 109 88 ARG HB3 H 1.9000 0.0000 2 674 109 88 ARG HG2 H 1.8600 0.0000 2 675 109 88 ARG HG3 H 1.8600 0.0000 2 676 109 88 ARG HD2 H 3.0800 0.0000 2 677 109 88 ARG HD3 H 3.0800 0.0000 2 678 109 88 ARG CA C 57.8300 0.0000 1 679 109 88 ARG CB C 29.4900 0.0000 1 680 109 88 ARG CG C 27.7000 0.0000 1 681 109 88 ARG N N 117.1160 0.0000 1 682 110 89 HIS H H 7.1600 0.0000 1 683 110 89 HIS HA H 4.6580 0.0000 1 684 110 89 HIS HB2 H 2.8770 0.0000 2 685 110 89 HIS HB3 H 3.4500 0.0000 2 686 110 89 HIS HD2 H 6.6700 0.0000 1 687 110 89 HIS HE1 H 7.6900 0.0000 1 688 110 89 HIS C C 175.0000 0.0000 1 689 110 89 HIS CA C 55.0520 0.0000 1 690 110 89 HIS CB C 30.4700 0.0000 1 691 110 89 HIS CD2 C 116.8000 0.0000 1 692 110 89 HIS CE1 C 138.1000 0.0000 1 693 110 89 HIS N N 116.2500 0.0000 1 694 110 89 HIS ND1 N 226.0000 0.0000 1 695 110 89 HIS NE2 N 171.0000 0.0000 1 696 111 90 ALA H H 8.4750 0.0000 1 697 111 90 ALA HA H 3.7340 0.0000 1 698 111 90 ALA HB H 1.6090 0.0000 1 699 111 90 ALA C C 175.4000 0.0000 1 700 111 90 ALA CA C 53.7600 0.0000 1 701 111 90 ALA CB C 17.3100 0.0000 1 702 111 90 ALA N N 118.2940 0.0000 1 703 112 91 ASP H H 7.2190 0.0000 1 704 112 91 ASP HA H 4.8900 0.0000 1 705 112 91 ASP HB2 H 2.7400 0.0000 2 706 112 91 ASP HB3 H 2.7400 0.0000 2 707 112 91 ASP CA C 53.9000 0.0000 1 708 112 91 ASP CB C 42.4600 0.0000 1 709 112 91 ASP N N 115.4700 0.0000 1 710 113 92 VAL H H 8.3220 0.0000 1 711 114 93 ILE HD1 H 0.9180 0.0000 1 712 115 94 PRO HA H 4.6900 0.0000 1 713 115 94 PRO HB2 H 2.3170 0.0000 2 714 115 94 PRO HB3 H 2.0150 0.0000 2 715 115 94 PRO HG2 H 2.0890 0.0000 2 716 115 94 PRO HG3 H 2.1660 0.0000 2 717 115 94 PRO HD2 H 3.8460 0.0000 2 718 115 94 PRO HD3 H 3.8460 0.0000 2 719 115 94 PRO C C 176.0000 0.0000 1 720 115 94 PRO CA C 63.6000 0.0000 1 721 115 94 PRO CB C 33.0920 0.0000 1 722 115 94 PRO CG C 27.7700 0.0000 1 723 115 94 PRO CD C 49.9800 0.0000 1 724 116 95 VAL H H 8.5610 0.0000 1 725 116 95 VAL HA H 4.6390 0.0000 1 726 116 95 VAL HB H 1.4260 0.0000 1 727 116 95 VAL HG1 H 0.5700 0.0000 2 728 116 95 VAL HG2 H 0.7300 0.0000 2 729 116 95 VAL C C 174.0000 0.0000 1 730 116 95 VAL CA C 60.1700 0.0000 1 731 116 95 VAL CB C 36.9000 0.0000 1 732 116 95 VAL CG1 C 22.2690 0.0000 1 733 116 95 VAL CG2 C 22.4000 0.0000 1 734 116 95 VAL N N 123.7260 0.0000 1 735 117 96 ARG H H 8.8870 0.0000 1 736 117 96 ARG HA H 5.2400 0.0000 1 737 117 96 ARG HB2 H 1.7900 0.0000 2 738 117 96 ARG HB3 H 1.9310 0.0000 2 739 117 96 ARG HG2 H 1.7110 0.0000 2 740 117 96 ARG HG3 H 1.7110 0.0000 2 741 117 96 ARG HD2 H 3.3040 0.0000 2 742 117 96 ARG HD3 H 3.3040 0.0000 2 743 117 96 ARG C C 176.4000 0.0000 1 744 117 96 ARG CA C 53.4400 0.0000 1 745 117 96 ARG CB C 31.6000 0.0000 1 746 117 96 ARG CG C 27.0400 0.0000 1 747 117 96 ARG CD C 43.1000 0.0000 1 748 117 96 ARG N N 127.0910 0.0000 1 749 118 97 ARG H H 9.5880 0.0000 1 750 118 97 ARG HA H 4.1940 0.0000 1 751 118 97 ARG HB2 H 1.7700 0.0000 2 752 118 97 ARG HB3 H 2.1500 0.0000 2 753 118 97 ARG HG2 H 1.8350 0.0000 2 754 118 97 ARG HG3 H 1.8350 0.0000 2 755 118 97 ARG HD2 H 3.5000 0.0000 2 756 118 97 ARG HD3 H 3.2740 0.0000 2 757 118 97 ARG C C 175.7000 0.0000 1 758 118 97 ARG CA C 59.9500 0.0000 1 759 118 97 ARG CB C 32.7700 0.0000 1 760 118 97 ARG CD C 44.8700 0.0000 1 761 118 97 ARG N N 129.8700 0.0000 1 762 119 98 ARG H H 9.1360 0.0000 1 763 119 98 ARG HA H 4.7900 0.0000 1 764 119 98 ARG HB2 H 1.6190 0.0000 2 765 119 98 ARG HB3 H 2.0500 0.0000 2 766 119 98 ARG HG2 H 1.8450 0.0000 2 767 119 98 ARG HG3 H 1.8450 0.0000 2 768 119 98 ARG HD2 H 3.2900 0.0000 2 769 119 98 ARG HD3 H 3.2900 0.0000 2 770 119 98 ARG C C 175.2000 0.0000 1 771 119 98 ARG CA C 54.7300 0.0000 1 772 119 98 ARG CB C 32.2000 0.0000 1 773 119 98 ARG CG C 26.5000 0.0000 1 774 119 98 ARG CD C 43.1700 0.0000 1 775 119 98 ARG N N 127.3330 0.0000 1 776 120 99 GLY H H 8.2050 0.0000 1 777 120 99 GLY HA2 H 4.1500 0.0000 2 778 120 99 GLY HA3 H 4.2810 0.0000 2 779 120 99 GLY C C 173.3000 0.0000 1 780 120 99 GLY CA C 44.9500 0.0000 1 781 120 99 GLY N N 109.8080 0.0000 1 782 121 100 ASP H H 8.3000 0.0000 1 783 121 100 ASP HA H 4.4900 0.0000 1 784 121 100 ASP HB2 H 2.7500 0.0000 2 785 121 100 ASP HB3 H 2.7500 0.0000 2 786 121 100 ASP C C 177.0000 0.0000 1 787 121 100 ASP CA C 57.5000 0.0000 1 788 121 100 ASP CB C 41.3000 0.0000 1 789 122 101 SER H H 8.1770 0.0000 1 790 122 101 SER HA H 3.7000 0.0000 1 791 122 101 SER HB2 H 3.5100 0.0000 2 792 122 101 SER HB3 H 4.5070 0.0000 2 793 122 101 SER C C 172.7000 0.0000 1 794 122 101 SER CA C 56.7000 0.0000 1 795 122 101 SER CB C 65.3000 0.0000 1 796 122 101 SER N N 108.7940 0.0000 1 797 123 102 ARG H H 6.5930 0.0000 1 798 123 102 ARG HA H 5.6460 0.0000 1 799 123 102 ARG HB2 H 1.6500 0.0000 2 800 123 102 ARG HB3 H 1.7500 0.0000 2 801 123 102 ARG HG2 H 1.5800 0.0000 2 802 123 102 ARG HG3 H 1.5800 0.0000 2 803 123 102 ARG HD2 H 3.4030 0.0000 2 804 123 102 ARG HD3 H 3.2160 0.0000 2 805 123 102 ARG C C 176.4000 0.0000 1 806 123 102 ARG CA C 53.2100 0.0000 1 807 123 102 ARG CB C 34.9800 0.0000 1 808 123 102 ARG CD C 42.5000 0.0000 1 809 123 102 ARG N N 118.1780 0.0000 1 810 124 103 GLY H H 9.0140 0.0000 1 811 124 103 GLY HA2 H 5.0450 0.0000 2 812 124 103 GLY HA3 H 3.3700 0.0000 2 813 124 103 GLY C C 172.0000 0.0000 1 814 124 103 GLY CA C 45.7600 0.0000 1 815 124 103 GLY N N 108.7360 0.0000 1 816 125 104 SER H H 9.5600 0.0000 1 817 125 104 SER HA H 4.7900 0.0000 1 818 125 104 SER HB2 H 4.0900 0.0000 2 819 125 104 SER HB3 H 3.9680 0.0000 2 820 125 104 SER C C 174.8000 0.0000 1 821 125 104 SER CA C 58.6800 0.0000 1 822 125 104 SER CB C 64.5370 0.0000 1 823 125 104 SER N N 120.6890 0.0000 1 824 126 105 LEU H H 8.1800 0.0000 1 825 126 105 LEU HA H 4.4670 0.0000 1 826 126 105 LEU HB2 H 1.4060 0.0000 2 827 126 105 LEU HB3 H 1.6200 0.0000 2 828 126 105 LEU HG H 1.4200 0.0000 1 829 126 105 LEU HD1 H 0.8500 0.0000 2 830 126 105 LEU HD2 H 0.7890 0.0000 2 831 126 105 LEU C C 177.5000 0.0000 1 832 126 105 LEU CA C 55.7800 0.0000 1 833 126 105 LEU CB C 41.9700 0.0000 1 834 126 105 LEU CG C 28.9280 0.0000 1 835 126 105 LEU CD1 C 24.8700 0.0000 1 836 126 105 LEU CD2 C 25.8980 0.0000 1 837 126 105 LEU N N 124.7850 0.0000 1 838 127 106 LEU H H 8.1450 0.0000 1 839 127 106 LEU HA H 4.2160 0.0000 1 840 127 106 LEU HB2 H 1.7100 0.0000 2 841 127 106 LEU HB3 H 1.7680 0.0000 2 842 127 106 LEU HG H 1.6870 0.0000 1 843 127 106 LEU HD1 H 0.9510 0.0000 2 844 127 106 LEU HD2 H 0.9100 0.0000 2 845 127 106 LEU C C 178.0000 0.0000 1 846 127 106 LEU CA C 57.7400 0.0000 1 847 127 106 LEU CB C 41.1090 0.0000 1 848 127 106 LEU CG C 28.6400 0.0000 1 849 127 106 LEU CD1 C 24.9500 0.0000 1 850 127 106 LEU CD2 C 23.6950 0.0000 1 851 127 106 LEU N N 125.0070 0.0000 1 852 128 107 SER H H 7.5830 0.0000 1 853 128 107 SER HA H 4.9790 0.0000 1 854 128 107 SER HB2 H 3.8090 0.0000 2 855 128 107 SER HB3 H 3.9070 0.0000 2 856 128 107 SER C C 171.5000 0.0000 1 857 128 107 SER CA C 55.2000 0.0000 1 858 128 107 SER CB C 64.2200 0.0000 1 859 128 107 SER N N 112.5090 0.0000 1 860 129 108 PRO HA H 4.6320 0.0000 1 861 129 108 PRO HB2 H 2.3160 0.0000 2 862 129 108 PRO HB3 H 1.8350 0.0000 2 863 129 108 PRO HG2 H 2.1740 0.0000 2 864 129 108 PRO HG3 H 2.1740 0.0000 2 865 129 108 PRO HD2 H 3.8230 0.0000 2 866 129 108 PRO HD3 H 4.3950 0.0000 2 867 129 108 PRO C C 176.4000 0.0000 1 868 129 108 PRO CA C 63.8000 0.0000 1 869 129 108 PRO CB C 33.3000 0.0000 1 870 129 108 PRO CG C 27.9000 0.0000 1 871 129 108 PRO CD C 51.7000 0.0000 1 872 130 109 ARG H H 7.9000 0.0000 1 873 130 109 ARG HA H 5.1180 0.0000 1 874 130 109 ARG HB2 H 1.8350 0.0000 2 875 130 109 ARG HB3 H 1.6160 0.0000 2 876 130 109 ARG HG2 H 1.4060 0.0000 2 877 130 109 ARG HG3 H 1.4060 0.0000 2 878 130 109 ARG HD2 H 3.1660 0.0000 2 879 130 109 ARG HD3 H 2.8140 0.0000 2 880 130 109 ARG CA C 51.7000 0.0000 1 881 130 109 ARG CD C 43.1600 0.0000 1 882 130 109 ARG N N 118.3990 0.0000 1 883 131 110 PRO HA H 4.8760 0.0000 1 884 131 110 PRO HB2 H 2.1790 0.0000 2 885 131 110 PRO HB3 H 2.6560 0.0000 2 886 131 110 PRO HD2 H 4.4100 0.0000 2 887 131 110 PRO HD3 H 4.4100 0.0000 2 888 131 110 PRO C C 178.4000 0.0000 1 889 131 110 PRO CA C 63.4800 0.0000 1 890 131 110 PRO CB C 32.3500 0.0000 1 891 132 111 VAL H H 8.5030 0.0000 1 892 132 111 VAL HA H 3.7450 0.0000 1 893 132 111 VAL HB H 2.1350 0.0000 1 894 132 111 VAL HG1 H 1.1670 0.0000 2 895 132 111 VAL HG2 H 1.1860 0.0000 2 896 132 111 VAL C C 177.6000 0.0000 1 897 132 111 VAL CA C 67.1000 0.0000 1 898 132 111 VAL CB C 32.3410 0.0000 1 899 132 111 VAL CG1 C 20.8530 0.0000 1 900 132 111 VAL CG2 C 24.6660 0.0000 1 901 132 111 VAL N N 124.7660 0.0000 1 902 133 112 SER H H 8.5630 0.0000 1 903 133 112 SER HA H 4.2010 0.0000 1 904 133 112 SER HB2 H 4.1200 0.0000 2 905 133 112 SER HB3 H 4.1200 0.0000 2 906 133 112 SER C C 176.3000 0.0000 1 907 133 112 SER CA C 61.2560 0.0000 1 908 133 112 SER CB C 62.6830 0.0000 1 909 133 112 SER N N 114.1270 0.0000 1 910 134 113 TYR H H 7.8130 0.0000 1 911 134 113 TYR HA H 4.5680 0.0000 1 912 134 113 TYR HB2 H 3.3800 0.0000 2 913 134 113 TYR HB3 H 3.1660 0.0000 2 914 134 113 TYR HD1 H 7.0530 0.0000 3 915 134 113 TYR HD2 H 7.1500 0.0000 3 916 134 113 TYR HE1 H 6.7280 0.0000 3 917 134 113 TYR HE2 H 6.7280 0.0000 3 918 134 113 TYR C C 177.0000 0.0000 1 919 134 113 TYR CA C 60.9900 0.0000 1 920 134 113 TYR CB C 39.7000 0.0000 1 921 134 113 TYR N N 121.6680 0.0000 1 922 135 114 LEU H H 7.5530 0.0000 1 923 135 114 LEU HA H 4.3700 0.0000 1 924 135 114 LEU HB2 H 2.0280 0.0000 2 925 135 114 LEU HB3 H 2.0280 0.0000 2 926 135 114 LEU HG H 1.6400 0.0000 1 927 135 114 LEU HD1 H 0.9290 0.0000 2 928 135 114 LEU HD2 H 0.8600 0.0000 2 929 135 114 LEU C C 176.2000 0.0000 1 930 135 114 LEU CA C 55.7520 0.0000 1 931 135 114 LEU CG C 25.1000 0.0000 1 932 135 114 LEU CD1 C 26.6250 0.0000 1 933 135 114 LEU CD2 C 22.8260 0.0000 1 934 135 114 LEU N N 117.0300 0.0000 1 935 136 115 LYS H H 7.4740 0.0000 1 936 136 115 LYS HA H 4.6090 0.0000 1 937 136 115 LYS HB2 H 1.9790 0.0000 2 938 136 115 LYS HB3 H 1.9790 0.0000 2 939 136 115 LYS HG2 H 1.7990 0.0000 2 940 136 115 LYS HG3 H 1.7990 0.0000 2 941 136 115 LYS HD2 H 1.6300 0.0000 2 942 136 115 LYS HD3 H 1.6300 0.0000 2 943 136 115 LYS HE2 H 3.1000 0.0000 2 944 136 115 LYS HE3 H 3.1000 0.0000 2 945 136 115 LYS CA C 57.6000 0.0000 1 946 136 115 LYS CB C 33.0810 0.0000 1 947 136 115 LYS CG C 30.0000 0.0000 1 948 136 115 LYS CE C 42.1600 0.0000 1 949 136 115 LYS N N 120.9000 0.0000 1 950 137 116 GLY H H 9.6090 0.0000 1 951 137 116 GLY HA2 H 4.7200 0.0000 2 952 137 116 GLY HA3 H 4.4700 0.0000 2 953 137 116 GLY C C 175.8000 0.0000 1 954 137 116 GLY CA C 45.9600 0.0000 1 955 137 116 GLY N N 118.9540 0.0000 1 956 138 117 SER H H 8.3150 0.0000 1 957 138 117 SER HA H 5.0130 0.0000 1 958 138 117 SER HB2 H 4.6020 0.0000 2 959 138 117 SER HB3 H 4.6020 0.0000 2 960 138 117 SER C C 174.1000 0.0000 1 961 138 117 SER CA C 59.9200 0.0000 1 962 138 117 SER CB C 63.9000 0.0000 1 963 138 117 SER N N 113.0170 0.0000 1 964 139 118 SER H H 7.2180 0.0000 1 965 139 118 SER HA H 3.8440 0.0000 1 966 139 118 SER HB2 H 3.7400 0.0000 2 967 139 118 SER C C 172.9000 0.0000 1 968 139 118 SER CA C 60.9000 0.0000 1 969 139 118 SER CB C 64.4000 0.0000 1 970 139 118 SER N N 116.4380 0.0000 1 971 140 119 GLY H H 9.4100 0.0000 1 972 140 119 GLY HA2 H 3.4800 0.0000 2 973 140 119 GLY HA3 H 5.6100 0.0000 2 974 140 119 GLY C C 174.0000 0.0000 1 975 140 119 GLY CA C 45.6300 0.0000 1 976 140 119 GLY N N 109.1450 0.0000 1 977 141 120 GLY H H 8.5180 0.0000 1 978 141 120 GLY HA2 H 4.0480 0.0000 2 979 141 120 GLY HA3 H 4.0480 0.0000 2 980 141 120 GLY CA C 44.4000 0.0000 1 981 141 120 GLY N N 106.3410 0.0000 1 982 142 121 PRO HA H 5.0630 0.0000 1 983 142 121 PRO HG2 H 1.9200 0.0000 2 984 142 121 PRO HG3 H 1.9200 0.0000 2 985 142 121 PRO HD2 H 3.5350 0.0000 2 986 142 121 PRO HD3 H 3.9790 0.0000 2 987 142 121 PRO C C 175.6000 0.0000 1 988 142 121 PRO CA C 63.4000 0.0000 1 989 142 121 PRO CD C 51.0600 0.0000 1 990 143 122 LEU H H 7.8410 0.0000 1 991 143 122 LEU HA H 5.2080 0.0000 1 992 143 122 LEU HB2 H 0.9450 0.0000 2 993 143 122 LEU HB3 H 0.8600 0.0000 2 994 143 122 LEU HG H 1.1740 0.0000 1 995 143 122 LEU HD1 H 0.5130 0.0000 2 996 143 122 LEU HD2 H 0.3430 0.0000 2 997 143 122 LEU C C 175.9000 0.0000 1 998 143 122 LEU CA C 54.6000 0.0000 1 999 143 122 LEU CB C 42.4570 0.0000 1 1000 143 122 LEU CG C 29.8000 0.0000 1 1001 143 122 LEU CD1 C 25.4200 0.0000 1 1002 143 122 LEU CD2 C 26.7000 0.0000 1 1003 143 122 LEU N N 117.9640 0.0000 1 1004 144 123 LEU H H 9.4670 0.0000 1 1005 144 123 LEU HA H 5.7420 0.0000 1 1006 144 123 LEU HB2 H 1.7920 0.0000 2 1007 144 123 LEU HB3 H 1.6740 0.0000 2 1008 144 123 LEU HD1 H 0.8580 0.0000 2 1009 144 123 LEU HD2 H 0.9040 0.0000 2 1010 144 123 LEU CA C 52.7000 0.0000 1 1011 144 123 LEU CB C 45.9300 0.0000 1 1012 144 123 LEU CD1 C 27.1000 0.0000 1 1013 144 123 LEU CD2 C 24.9000 0.0000 1 1014 144 123 LEU N N 124.3720 0.0000 1 1015 145 124 CYS H H 8.5020 0.0000 1 1016 145 124 CYS HA H 5.5180 0.0000 1 1017 145 124 CYS HB2 H 3.6240 0.0000 2 1018 145 124 CYS HB3 H 3.0300 0.0000 2 1019 145 124 CYS CA C 56.5700 0.0000 1 1020 145 124 CYS CB C 29.3500 0.0000 1 1021 145 124 CYS N N 120.3400 0.0000 1 1022 146 125 PRO HA H 4.3930 0.0000 1 1023 146 125 PRO HB2 H 2.6760 0.0000 2 1024 146 125 PRO HB3 H 2.1110 0.0000 2 1025 146 125 PRO C C 178.1000 0.0000 1 1026 146 125 PRO CA C 65.9300 0.0000 1 1027 147 126 SER H H 9.1520 0.0000 1 1028 147 126 SER HA H 4.5290 0.0000 1 1029 147 126 SER HB2 H 3.6380 0.0000 2 1030 147 126 SER HB3 H 3.2020 0.0000 2 1031 147 126 SER C C 176.3000 0.0000 1 1032 147 126 SER CA C 59.1500 0.0000 1 1033 147 126 SER CB C 63.4810 0.0000 1 1034 147 126 SER N N 114.0180 0.0000 1 1035 148 127 GLY H H 8.6780 0.0000 1 1036 148 127 GLY HA2 H 4.1210 0.0000 2 1037 148 127 GLY HA3 H 4.1210 0.0000 2 1038 148 127 GLY CA C 45.5300 0.0000 1 1039 148 127 GLY N N 110.8610 0.0000 1 1040 149 128 HIS H H 8.8840 0.0000 1 1041 149 128 HIS HA H 5.2390 0.0000 1 1042 149 128 HIS HB2 H 3.2240 0.0000 2 1043 149 128 HIS HB3 H 3.8470 0.0000 2 1044 149 128 HIS HD2 H 6.9800 0.0000 1 1045 149 128 HIS HE1 H 7.8000 0.0000 1 1046 149 128 HIS C C 176.1000 0.0000 1 1047 149 128 HIS CA C 54.0010 0.0000 1 1048 149 128 HIS CB C 32.5340 0.0000 1 1049 149 128 HIS CD2 C 117.1000 0.0000 1 1050 149 128 HIS CE1 C 137.6000 0.0000 1 1051 149 128 HIS ND1 N 222.0000 0.0000 1 1052 149 128 HIS NE2 N 169.0000 0.0000 1 1053 150 129 ALA H H 8.8550 0.0000 1 1054 150 129 ALA HA H 4.7500 0.0000 1 1055 150 129 ALA HB H 1.2600 0.0000 1 1056 150 129 ALA CA C 52.8200 0.0000 1 1057 150 129 ALA CB C 20.3600 0.0000 1 1058 150 129 ALA N N 121.0500 0.0000 1 1059 151 130 VAL H H 9.4840 0.0000 1 1060 151 130 VAL HA H 4.3620 0.0000 1 1061 151 130 VAL HB H 1.5970 0.0000 1 1062 151 130 VAL HG1 H 1.0730 0.0000 2 1063 151 130 VAL HG2 H 0.9760 0.0000 2 1064 151 130 VAL CA C 63.4000 0.0000 1 1065 151 130 VAL CB C 33.5040 0.0000 1 1066 151 130 VAL CG1 C 23.9000 0.0000 1 1067 151 130 VAL CG2 C 21.8500 0.0000 1 1068 151 130 VAL N N 124.4510 0.0000 1 1069 152 131 GLY H H 7.6960 0.0000 1 1070 152 131 GLY HA2 H 4.5300 0.0000 2 1071 152 131 GLY HA3 H 4.4130 0.0000 2 1072 152 131 GLY C C 170.8000 0.0000 1 1073 152 131 GLY CA C 47.0200 0.0000 1 1074 152 131 GLY N N 106.9980 0.0000 1 1075 153 132 ILE HA H 5.5000 0.0000 1 1076 153 132 ILE HB H 1.7290 0.0000 1 1077 153 132 ILE HG12 H 0.9780 0.0000 2 1078 153 132 ILE HG13 H 1.7050 0.0000 2 1079 153 132 ILE HG2 H 0.8580 0.0000 1 1080 153 132 ILE HD1 H 0.8990 0.0000 1 1081 153 132 ILE C C 176.0000 0.0000 1 1082 153 132 ILE CA C 58.9000 0.0000 1 1083 153 132 ILE CB C 42.0000 0.0000 1 1084 153 132 ILE CG1 C 24.9300 0.0000 1 1085 153 132 ILE CG2 C 17.6600 0.0000 1 1086 153 132 ILE CD1 C 13.8600 0.0000 1 1087 154 133 PHE H H 9.6720 0.0000 1 1088 154 133 PHE HA H 4.6600 0.0000 1 1089 154 133 PHE HB2 H 3.1600 0.0000 2 1090 154 133 PHE HB3 H 3.0120 0.0000 2 1091 154 133 PHE HD1 H 7.1130 0.0000 3 1092 154 133 PHE HD2 H 7.1130 0.0000 3 1093 154 133 PHE HE1 H 7.1930 0.0000 3 1094 154 133 PHE HE2 H 7.1930 0.0000 3 1095 154 133 PHE C C 174.2000 0.0000 1 1096 154 133 PHE CA C 58.0350 0.0000 1 1097 154 133 PHE CB C 39.2000 0.0000 1 1098 154 133 PHE CD1 C 130.2000 0.0000 3 1099 154 133 PHE CD2 C 130.2000 0.0000 3 1100 154 133 PHE CE1 C 131.1000 0.0000 3 1101 154 133 PHE CE2 C 131.1000 0.0000 3 1102 154 133 PHE N N 124.9450 0.0000 1 1103 155 134 ARG H H 9.3440 0.0000 1 1104 155 134 ARG HB2 H 1.6150 0.0000 2 1105 155 134 ARG HB3 H 1.6150 0.0000 2 1106 155 134 ARG HG2 H 1.7500 0.0000 2 1107 155 134 ARG HG3 H 1.7500 0.0000 2 1108 155 134 ARG HD2 H 3.1300 0.0000 2 1109 155 134 ARG HD3 H 3.1300 0.0000 2 1110 155 134 ARG C C 174.1000 0.0000 1 1111 155 134 ARG CD C 42.3000 0.0000 1 1112 155 134 ARG N N 131.5540 0.0000 1 1113 156 135 ALA H H 8.6110 0.0000 1 1114 156 135 ALA HA H 4.9100 0.0000 1 1115 156 135 ALA HB H 1.3830 0.0000 1 1116 156 135 ALA C C 174.7000 0.0000 1 1117 156 135 ALA CA C 51.8100 0.0000 1 1118 156 135 ALA CB C 23.4100 0.0000 1 1119 156 135 ALA N N 119.8330 0.0000 1 1120 157 136 ALA H H 9.2700 0.0000 1 1121 157 136 ALA HA H 5.2200 0.0000 1 1122 157 136 ALA HB H 1.5500 0.0000 1 1123 157 136 ALA C C 175.4000 0.0000 1 1124 157 136 ALA CA C 50.9200 0.0000 1 1125 157 136 ALA CB C 22.5000 0.0000 1 1126 157 136 ALA N N 124.0360 0.0000 1 1127 158 137 VAL H H 8.7280 0.0000 1 1128 158 137 VAL HA H 4.3210 0.0000 1 1129 158 137 VAL HB H 2.1930 0.0000 1 1130 158 137 VAL HG1 H 1.0730 0.0000 2 1131 158 137 VAL HG2 H 0.8790 0.0000 2 1132 158 137 VAL C C 176.2000 0.0000 1 1133 158 137 VAL CA C 63.0200 0.0000 1 1134 158 137 VAL CB C 31.2000 0.0000 1 1135 158 137 VAL CG1 C 20.9440 0.0000 1 1136 158 137 VAL CG2 C 19.4750 0.0000 1 1137 158 137 VAL N N 125.9790 0.0000 1 1138 159 138 CYS H H 9.1260 0.0000 1 1139 159 138 CYS HA H 5.6850 0.0000 1 1140 159 138 CYS HB2 H 2.8960 0.0000 2 1141 159 138 CYS HB3 H 2.6410 0.0000 2 1142 159 138 CYS C C 174.7000 0.0000 1 1143 159 138 CYS CA C 57.7670 0.0000 1 1144 159 138 CYS CB C 32.3420 0.0000 1 1145 159 138 CYS N N 126.3300 0.0000 1 1146 160 139 THR H H 8.8480 0.0000 1 1147 160 139 THR HA H 4.5920 0.0000 1 1148 160 139 THR HB H 4.0840 0.0000 1 1149 160 139 THR HG2 H 1.3500 0.0000 1 1150 160 139 THR C C 174.5000 0.0000 1 1151 160 139 THR CA C 61.9700 0.0000 1 1152 160 139 THR CB C 71.4900 0.0000 1 1153 160 139 THR CG2 C 21.6390 0.0000 1 1154 160 139 THR N N 118.2370 0.0000 1 1155 161 140 ARG H H 8.3280 0.0000 1 1156 161 140 ARG HA H 4.0260 0.0000 1 1157 161 140 ARG HB2 H 1.9890 0.0000 2 1158 161 140 ARG HB3 H 2.1520 0.0000 2 1159 161 140 ARG HG2 H 1.8130 0.0000 2 1160 161 140 ARG HG3 H 1.8130 0.0000 2 1161 161 140 ARG HD2 H 3.3760 0.0000 2 1162 161 140 ARG HD3 H 3.3760 0.0000 2 1163 161 140 ARG C C 176.3000 0.0000 1 1164 161 140 ARG CA C 57.6700 0.0000 1 1165 161 140 ARG CB C 28.3400 0.0000 1 1166 161 140 ARG CG C 28.3000 0.0000 1 1167 161 140 ARG CD C 43.8170 0.0000 1 1168 162 141 GLY H H 8.7960 0.0000 1 1169 162 141 GLY HA2 H 4.3250 0.0000 2 1170 162 141 GLY HA3 H 3.8120 0.0000 2 1171 162 141 GLY C C 174.6000 0.0000 1 1172 162 141 GLY CA C 46.1000 0.0000 1 1173 162 141 GLY N N 104.5550 0.0000 1 1174 163 142 VAL H H 8.1830 0.0000 1 1175 163 142 VAL HA H 4.4380 0.0000 1 1176 163 142 VAL HB H 2.1800 0.0000 1 1177 163 142 VAL HG1 H 0.8800 0.0000 2 1178 163 142 VAL HG2 H 1.0100 0.0000 2 1179 163 142 VAL C C 175.1000 0.0000 1 1180 163 142 VAL CA C 62.3200 0.0000 1 1181 163 142 VAL CB C 33.3300 0.0000 1 1182 163 142 VAL CG1 C 22.2870 0.0000 1 1183 163 142 VAL CG2 C 21.1450 0.0000 1 1184 163 142 VAL N N 122.4410 0.0000 1 1185 164 143 ALA H H 9.4630 0.0000 1 1186 164 143 ALA HA H 5.0240 0.0000 1 1187 164 143 ALA HB H 1.3870 0.0000 1 1188 164 143 ALA C C 176.0000 0.0000 1 1189 164 143 ALA CA C 52.0700 0.0000 1 1190 164 143 ALA CB C 20.3000 0.0000 1 1191 164 143 ALA N N 129.5200 0.0000 1 1192 165 144 LYS H H 8.5570 0.0000 1 1193 165 144 LYS HA H 4.7200 0.0000 1 1194 165 144 LYS HB2 H 1.8850 0.0000 2 1195 165 144 LYS HB3 H 2.1030 0.0000 2 1196 165 144 LYS HG2 H 1.5930 0.0000 2 1197 165 144 LYS HG3 H 1.5930 0.0000 2 1198 165 144 LYS HE2 H 3.1000 0.0000 2 1199 165 144 LYS HE3 H 3.1000 0.0000 2 1200 165 144 LYS C C 176.9000 0.0000 1 1201 165 144 LYS CA C 56.0100 0.0000 1 1202 165 144 LYS CB C 34.7250 0.0000 1 1203 165 144 LYS CG C 25.3750 0.0000 1 1204 165 144 LYS N N 119.0280 0.0000 1 1205 166 145 ALA H H 8.4680 0.0000 1 1206 166 145 ALA HA H 5.0790 0.0000 1 1207 166 145 ALA HB H 1.6200 0.0000 1 1208 166 145 ALA C C 175.1000 0.0000 1 1209 166 145 ALA CA C 51.7700 0.0000 1 1210 166 145 ALA CB C 22.1000 0.0000 1 1211 166 145 ALA N N 122.2270 0.0000 1 1212 167 146 VAL H H 9.6410 0.0000 1 1213 167 146 VAL HA H 5.2310 0.0000 1 1214 167 146 VAL HB H 2.4110 0.0000 1 1215 167 146 VAL HG1 H 0.7560 0.0000 2 1216 167 146 VAL HG2 H 0.8580 0.0000 2 1217 167 146 VAL C C 172.3000 0.0000 1 1218 167 146 VAL CA C 60.1300 0.0000 1 1219 167 146 VAL CB C 35.4910 0.0000 1 1220 167 146 VAL CG1 C 22.8900 0.0000 1 1221 167 146 VAL CG2 C 18.8060 0.0000 1 1222 167 146 VAL N N 112.2250 0.0000 1 1223 168 147 ASP H H 9.7280 0.0000 1 1224 168 147 ASP HA H 6.0040 0.0000 1 1225 168 147 ASP HB2 H 2.3840 0.0000 2 1226 168 147 ASP HB3 H 2.7920 0.0000 2 1227 168 147 ASP C C 175.8000 0.0000 1 1228 168 147 ASP CA C 52.6100 0.0000 1 1229 168 147 ASP CB C 46.4000 0.0000 1 1230 168 147 ASP N N 126.5100 0.0000 1 1231 169 148 PHE H H 9.0700 0.0000 1 1232 169 148 PHE HA H 5.6600 0.0000 1 1233 169 148 PHE HB2 H 2.5750 0.0000 2 1234 169 148 PHE HB3 H 2.9180 0.0000 2 1235 169 148 PHE HD1 H 6.7050 0.0000 3 1236 169 148 PHE HD2 H 6.7050 0.0000 3 1237 169 148 PHE HE1 H 6.9870 0.0000 3 1238 169 148 PHE HE2 H 6.9870 0.0000 3 1239 169 148 PHE HZ H 7.3310 0.0000 1 1240 169 148 PHE C C 171.6000 0.0000 1 1241 169 148 PHE CA C 54.9640 0.0000 1 1242 169 148 PHE CB C 43.9700 0.0000 1 1243 169 148 PHE N N 125.9640 0.0000 1 1244 170 149 VAL H H 9.0440 0.0000 1 1245 170 149 VAL HA H 4.4100 0.0000 1 1246 170 149 VAL HB H 2.1890 0.0000 1 1247 170 149 VAL HG1 H 1.0730 0.0000 2 1248 170 149 VAL HG2 H 1.2480 0.0000 2 1249 170 149 VAL C C 175.6000 0.0000 1 1250 170 149 VAL CA C 59.3900 0.0000 1 1251 170 149 VAL CB C 33.3700 0.0000 1 1252 170 149 VAL CG1 C 21.8900 0.0000 1 1253 170 149 VAL CG2 C 21.5000 0.0000 1 1254 170 149 VAL N N 119.3780 0.0000 1 1255 171 150 PRO HA H 5.2830 0.0000 1 1256 171 150 PRO HB2 H 2.4460 0.0000 2 1257 171 150 PRO HB3 H 2.8160 0.0000 2 1258 171 150 PRO HG2 H 2.1720 0.0000 2 1259 171 150 PRO HG3 H 2.0770 0.0000 2 1260 171 150 PRO HD2 H 3.7020 0.0000 2 1261 171 150 PRO HD3 H 3.7020 0.0000 2 1262 171 150 PRO C C 178.1000 0.0000 1 1263 171 150 PRO CA C 62.7270 0.0000 1 1264 171 150 PRO CB C 33.3950 0.0000 1 1265 171 150 PRO CG C 27.9900 0.0000 1 1266 171 150 PRO CD C 50.1140 0.0000 1 1267 172 151 VAL H H 8.0690 0.0000 1 1268 172 151 VAL HA H 4.3980 0.0000 1 1269 172 151 VAL HB H 2.1720 0.0000 1 1270 172 151 VAL HG1 H 1.0550 0.0000 2 1271 172 151 VAL HG2 H 1.1690 0.0000 2 1272 172 151 VAL CA C 64.7000 0.0000 1 1273 172 151 VAL CB C 31.7110 0.0000 1 1274 172 151 VAL CG1 C 21.6500 0.0000 1 1275 172 151 VAL CG2 C 20.4340 0.0000 1 1276 173 152 GLU H H 9.9080 0.0000 1 1277 173 152 GLU HA H 4.2090 0.0000 1 1278 173 152 GLU HB2 H 2.0900 0.0000 2 1279 173 152 GLU HB3 H 2.2110 0.0000 2 1280 173 152 GLU HG2 H 2.3940 0.0000 2 1281 173 152 GLU HG3 H 2.5830 0.0000 2 1282 173 152 GLU C C 179.2000 0.0000 1 1283 173 152 GLU CA C 61.1760 0.0000 1 1284 173 152 GLU CB C 28.9540 0.0000 1 1285 173 152 GLU CG C 37.3090 0.0000 1 1286 173 152 GLU N N 123.8150 0.0000 1 1287 174 153 SER H H 7.7680 0.0000 1 1288 174 153 SER HA H 4.4730 0.0000 1 1289 174 153 SER HB2 H 3.6800 0.0000 2 1290 174 153 SER HB3 H 3.9480 0.0000 2 1291 174 153 SER C C 177.2000 0.0000 1 1292 174 153 SER CA C 61.5400 0.0000 1 1293 174 153 SER CB C 63.5400 0.0000 1 1294 174 153 SER N N 113.7050 0.0000 1 1295 175 154 MET H H 7.4640 0.0000 1 1296 175 154 MET HA H 3.0120 0.0000 1 1297 175 154 MET HB2 H 1.5800 0.0000 2 1298 175 154 MET HB3 H 2.0170 0.0000 2 1299 175 154 MET HG2 H 0.7400 0.0000 2 1300 175 154 MET C C 178.8000 0.0000 1 1301 175 154 MET CA C 59.5300 0.0000 1 1302 175 154 MET CG C 32.7400 0.0000 1 1303 175 154 MET N N 124.4180 0.0000 1 1304 176 155 GLU H H 7.4750 0.0000 1 1305 176 155 GLU HA H 4.1180 0.0000 1 1306 176 155 GLU HB2 H 2.1900 0.0000 2 1307 176 155 GLU HB3 H 2.1900 0.0000 2 1308 176 155 GLU HG2 H 2.3150 0.0000 2 1309 176 155 GLU HG3 H 2.3600 0.0000 2 1310 176 155 GLU C C 179.5000 0.0000 1 1311 176 155 GLU CA C 59.9500 0.0000 1 1312 176 155 GLU CB C 29.4700 0.0000 1 1313 176 155 GLU CG C 36.3000 0.0000 1 1314 176 155 GLU N N 119.3070 0.0000 1 1315 177 156 THR H H 8.1380 0.0000 1 1316 177 156 THR HA H 3.9850 0.0000 1 1317 177 156 THR HB H 4.2500 0.0000 1 1318 177 156 THR HG2 H 1.3360 0.0000 1 1319 177 156 THR C C 177.2000 0.0000 1 1320 177 156 THR CA C 66.3900 0.0000 1 1321 177 156 THR CB C 68.9000 0.0000 1 1322 177 156 THR CG2 C 22.2400 0.0000 1 1323 177 156 THR N N 113.4900 0.0000 1 1324 178 157 THR H H 7.6690 0.0000 1 1325 178 157 THR HA H 4.1440 0.0000 1 1326 178 157 THR HB H 4.3830 0.0000 1 1327 178 157 THR HG2 H 1.3900 0.0000 1 1328 178 157 THR C C 176.6000 0.0000 1 1329 178 157 THR CA C 67.5740 0.0000 1 1330 178 157 THR CB C 69.1000 0.0000 1 1331 178 157 THR CG2 C 21.8760 0.0000 1 1332 178 157 THR N N 119.7720 0.0000 1 1333 179 158 MET H H 8.0430 0.0000 1 1334 179 158 MET HA H 3.9700 0.0000 1 1335 179 158 MET HB2 H 2.0240 0.0000 2 1336 179 158 MET HB3 H 2.1500 0.0000 2 1337 179 158 MET HG2 H 1.9750 0.0000 2 1338 179 158 MET HG3 H 2.4180 0.0000 2 1339 179 158 MET C C 178.4000 0.0000 1 1340 179 158 MET CA C 59.1700 0.0000 1 1341 179 158 MET CB C 32.9000 0.0000 1 1342 179 158 MET CG C 31.9000 0.0000 1 1343 179 158 MET N N 121.0960 0.0000 1 1344 180 159 ARG H H 8.1450 0.0000 1 1345 180 159 ARG HA H 4.2210 0.0000 1 1346 180 159 ARG HB2 H 2.0300 0.0000 2 1347 180 159 ARG HB3 H 2.0300 0.0000 2 1348 180 159 ARG HG2 H 1.9510 0.0000 2 1349 180 159 ARG HG3 H 1.7950 0.0000 2 1350 180 159 ARG HD2 H 3.3040 0.0000 2 1351 180 159 ARG HD3 H 3.3040 0.0000 2 1352 180 159 ARG C C 178.0000 0.0000 1 1353 180 159 ARG CA C 58.9100 0.0000 1 1354 180 159 ARG CB C 30.6860 0.0000 1 1355 180 159 ARG CG C 28.3150 0.0000 1 1356 180 159 ARG CD C 43.7050 0.0000 1 1357 180 159 ARG N N 119.5490 0.0000 1 1358 181 160 ALA H H 7.9760 0.0000 1 1359 181 160 ALA HA H 4.4400 0.0000 1 1360 181 160 ALA HB H 1.6700 0.0000 1 1361 181 160 ALA C C 179.0000 0.0000 1 1362 181 160 ALA CA C 53.9000 0.0000 1 1363 181 160 ALA CB C 19.2000 0.0000 1 1364 181 160 ALA N N 121.7080 0.0000 1 1365 182 161 SER H H 7.9210 0.0000 1 1366 182 161 SER HA H 4.6390 0.0000 1 1367 182 161 SER HB2 H 4.2700 0.0000 2 1368 182 161 SER HB3 H 4.2700 0.0000 2 1369 182 161 SER C C 175.1000 0.0000 1 1370 182 161 SER CA C 60.0900 0.0000 1 1371 182 161 SER CB C 64.5000 0.0000 1 1372 182 161 SER N N 113.9920 0.0000 1 1373 183 162 LYS H H 8.0560 0.0000 1 1374 183 162 LYS HA H 4.4550 0.0000 1 1375 183 162 LYS C C 176.8000 0.0000 1 1376 183 162 LYS CA C 56.9500 0.0000 1 1377 183 162 LYS N N 122.5900 0.0000 1 1378 184 163 LYS H H 8.1340 0.0000 1 1379 184 163 LYS HA H 4.5010 0.0000 1 1380 184 163 LYS C C 176.7000 0.0000 1 1381 184 163 LYS CA C 56.8800 0.0000 1 1382 184 163 LYS N N 122.2870 0.0000 1 1383 185 164 LYS H H 8.3690 0.0000 1 1384 185 164 LYS HA H 4.4560 0.0000 1 1385 185 164 LYS C C 175.8000 0.0000 1 1386 185 164 LYS CA C 56.9500 0.0000 1 1387 185 164 LYS N N 123.9430 0.0000 1 1388 186 165 LYS H H 8.0510 0.0000 1 1389 186 165 LYS HA H 4.2200 0.0000 1 1390 186 165 LYS HB2 H 1.8510 0.0000 2 1391 186 165 LYS HB3 H 1.9440 0.0000 2 1392 186 165 LYS HG2 H 1.5490 0.0000 2 1393 186 165 LYS HG3 H 1.5460 0.0000 2 1394 186 165 LYS HD2 H 1.8590 0.0000 2 1395 186 165 LYS HD3 H 1.8590 0.0000 2 1396 186 165 LYS HE2 H 3.1500 0.0000 2 1397 186 165 LYS HE3 H 3.1500 0.0000 2 1398 186 165 LYS C C 181.5000 0.0000 1 1399 186 165 LYS CA C 58.3100 0.0000 1 1400 186 165 LYS CB C 34.1600 0.0000 1 1401 186 165 LYS CG C 25.0660 0.0000 1 1402 186 165 LYS CD C 29.5000 0.0000 1 1403 186 165 LYS CE C 42.7000 0.0000 1 1404 186 165 LYS N N 128.5480 0.0000 1 stop_ save_