data_19432 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Cat r 1 ; _BMRB_accession_number 19432 _BMRB_flat_file_name bmr19432.str _Entry_type original _Submission_date 2013-08-16 _Accession_date 2013-08-16 _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 Mueller Geoffrey . . 2 London Robert . . 3 Ghosh Debajyoti . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 781 "13C chemical shifts" 507 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-23 original author . stop_ _Original_release_date 2014-06-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Primary identification, biochemical characterization, and immunologic properties of the allergenic pollen cyclophilin Cat r 1' _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 Ghosh Debajyoti . . 2 Mueller Geoffrey . . 3 Schramm G . . 4 Edwards Lori . . 5 London Robert . . 6 Petersen A . . 7 Haas H . . 8 Bhattacharya S . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _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 'Cat r 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cat r 1' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 37670.777 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; SFTGSMPNPRVFFDMSVGGQ PAGRIVMELFADTTPRTAEN FRALCTGEKGTGRSGKPLHY KDSSFHRVIPGFMCQGGDFT AGNGTGGESIYGAKFADENF IKKHTGPGILSMANAGPNTN GSQFFICTAKTEWLDGKHVV FGQVVEGMDVVKAIEKVGSS SGRTAKKVVVEDCGQLS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 PHE 3 THR 4 GLY 5 SER 6 MET 7 PRO 8 ASN 9 PRO 10 ARG 11 VAL 12 PHE 13 PHE 14 ASP 15 MET 16 SER 17 VAL 18 GLY 19 GLY 20 GLN 21 PRO 22 ALA 23 GLY 24 ARG 25 ILE 26 VAL 27 MET 28 GLU 29 LEU 30 PHE 31 ALA 32 ASP 33 THR 34 THR 35 PRO 36 ARG 37 THR 38 ALA 39 GLU 40 ASN 41 PHE 42 ARG 43 ALA 44 LEU 45 CYS 46 THR 47 GLY 48 GLU 49 LYS 50 GLY 51 THR 52 GLY 53 ARG 54 SER 55 GLY 56 LYS 57 PRO 58 LEU 59 HIS 60 TYR 61 LYS 62 ASP 63 SER 64 SER 65 PHE 66 HIS 67 ARG 68 VAL 69 ILE 70 PRO 71 GLY 72 PHE 73 MET 74 CYS 75 GLN 76 GLY 77 GLY 78 ASP 79 PHE 80 THR 81 ALA 82 GLY 83 ASN 84 GLY 85 THR 86 GLY 87 GLY 88 GLU 89 SER 90 ILE 91 TYR 92 GLY 93 ALA 94 LYS 95 PHE 96 ALA 97 ASP 98 GLU 99 ASN 100 PHE 101 ILE 102 LYS 103 LYS 104 HIS 105 THR 106 GLY 107 PRO 108 GLY 109 ILE 110 LEU 111 SER 112 MET 113 ALA 114 ASN 115 ALA 116 GLY 117 PRO 118 ASN 119 THR 120 ASN 121 GLY 122 SER 123 GLN 124 PHE 125 PHE 126 ILE 127 CYS 128 THR 129 ALA 130 LYS 131 THR 132 GLU 133 TRP 134 LEU 135 ASP 136 GLY 137 LYS 138 HIS 139 VAL 140 VAL 141 PHE 142 GLY 143 GLN 144 VAL 145 VAL 146 GLU 147 GLY 148 MET 149 ASP 150 VAL 151 VAL 152 LYS 153 ALA 154 ILE 155 GLU 156 LYS 157 VAL 158 GLY 159 SER 160 SER 161 SER 162 GLY 163 ARG 164 THR 165 ALA 166 LYS 167 LYS 168 VAL 169 VAL 170 VAL 171 GLU 172 ASP 173 CYS 174 GLY 175 GLN 176 LEU 177 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MC9 "Cat R 1" 100.00 178 100.00 100.00 7.53e-126 EMBL CAA59468 "cyclophilin [Catharanthus roseus]" 97.18 172 100.00 100.00 1.97e-122 GB AFI56997 "peptidyl-prolyl cis-trans isomerase [Catharanthus roseus]" 97.18 172 100.00 100.00 1.97e-122 SP Q39613 "RecName: Full=Peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Cyclophilin; AltName: Full=Cyclosporin A-binding" 97.18 172 100.00 100.00 1.97e-122 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity eudicots 4058 Eukaryota Streptophyta Catharanthus roseus 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 'recombinant technology' . Escherichia coli . 'pDest 566' 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 $entity 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_geNMR _Saveframe_category software _Name geNMR _Version . loop_ _Vendor _Address _Electronic_address Wishart . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 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' 0.075 . M pH 6.0 . pH pressure 1 . atm temperature 273 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Cat r 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 2 1 SER HA H 4.4749 0.0000 1 2 2 1 SER HB3 H 3.7739 0.0000 2 3 2 1 SER CA C 58.3000 0.0000 1 4 2 1 SER CB C 63.9463 0.0000 1 5 3 2 PHE H H 8.3794 0.0000 1 6 3 2 PHE HA H 4.7300 0.0000 1 7 3 2 PHE HB2 H 3.1380 0.0000 2 8 3 2 PHE HB3 H 3.0574 0.0000 2 9 3 2 PHE HD2 H 7.2535 0.0000 3 10 3 2 PHE HE2 H 7.3619 0.0000 3 11 3 2 PHE CA C 57.7346 0.0000 1 12 3 2 PHE CB C 39.7926 0.0000 1 13 3 2 PHE CD2 C 131.1984 0.0000 2 14 3 2 PHE CE2 C 130.6058 0.0000 2 15 3 2 PHE N N 122.2492 0.0000 1 16 4 3 THR H H 8.0856 0.0000 1 17 4 3 THR CA C 61.6311 0.0000 1 18 4 3 THR CB C 69.9822 0.0000 1 19 4 3 THR N N 117.4961 0.0000 1 20 8 7 PRO HA H 4.4250 0.0000 1 21 8 7 PRO HB2 H 2.2890 0.0000 2 22 8 7 PRO HB3 H 2.0450 0.0000 2 23 8 7 PRO HG3 H 1.9060 0.0000 2 24 8 7 PRO HD2 H 3.8539 0.0000 2 25 8 7 PRO HD3 H 3.7099 0.0000 2 26 8 7 PRO CA C 62.5000 0.0000 1 27 8 7 PRO CB C 32.0500 0.0000 1 28 8 7 PRO CG C 27.3940 0.0000 1 29 8 7 PRO CD C 50.7170 0.0000 1 30 9 8 ASN H H 8.6740 0.0000 1 31 9 8 ASN CA C 51.4000 0.0000 1 32 9 8 ASN CB C 38.1000 0.0000 1 33 9 8 ASN N N 122.6636 0.0000 1 34 10 9 PRO HA H 4.7500 0.0000 1 35 10 9 PRO HB2 H 2.4230 0.0000 2 36 10 9 PRO HB3 H 2.1990 0.0000 2 37 10 9 PRO HG2 H 1.7010 0.0000 2 38 10 9 PRO HG3 H 2.0780 0.0000 2 39 10 9 PRO HD2 H 4.0920 0.0000 2 40 10 9 PRO CA C 63.0161 0.0000 1 41 10 9 PRO CB C 33.3204 0.0000 1 42 10 9 PRO CG C 26.7540 0.0000 1 43 10 9 PRO CD C 51.0542 0.0000 1 44 11 10 ARG H H 8.6302 0.0000 1 45 11 10 ARG HA H 5.6392 0.0000 1 46 11 10 ARG HB2 H 1.9540 0.0000 2 47 11 10 ARG HB3 H 1.7500 0.0000 2 48 11 10 ARG HG3 H 1.4810 0.0000 2 49 11 10 ARG HD3 H 3.0860 0.0000 2 50 11 10 ARG CA C 54.6718 0.0000 1 51 11 10 ARG CB C 33.7050 0.0000 1 52 11 10 ARG CG C 28.6250 0.0000 1 53 11 10 ARG CD C 43.8480 0.0000 1 54 11 10 ARG N N 118.8093 0.0000 1 55 12 11 VAL H H 9.1512 0.0000 1 56 12 11 VAL HA H 5.3200 0.0000 1 57 12 11 VAL HB H 2.6890 0.0000 1 58 12 11 VAL HG1 H 0.9757 0.0000 2 59 12 11 VAL HG2 H 0.9404 0.0000 2 60 12 11 VAL CA C 58.3376 0.0000 1 61 12 11 VAL CB C 35.7139 0.0000 1 62 12 11 VAL CG1 C 19.3800 0.0000 2 63 12 11 VAL CG2 C 21.9487 0.0000 2 64 12 11 VAL N N 115.1230 0.0000 1 65 13 12 PHE H H 8.6623 0.0000 1 66 13 12 PHE HA H 6.1300 0.0000 1 67 13 12 PHE HB2 H 2.6340 0.0000 2 68 13 12 PHE HB3 H 2.9030 0.0000 2 69 13 12 PHE HD2 H 6.6930 0.0000 3 70 13 12 PHE CA C 55.5496 0.0000 1 71 13 12 PHE CB C 44.0221 0.0000 1 72 13 12 PHE CD2 C 131.2517 0.0000 2 73 13 12 PHE N N 116.0798 0.0000 1 74 14 13 PHE H H 8.9611 0.0000 1 75 14 13 PHE HA H 5.3416 0.0000 1 76 14 13 PHE HB2 H 3.1189 0.0000 2 77 14 13 PHE HB3 H 3.4550 0.0000 2 78 14 13 PHE HD2 H 7.4537 0.0000 3 79 14 13 PHE HE2 H 6.9500 0.0000 3 80 14 13 PHE CA C 53.2202 0.0000 1 81 14 13 PHE CB C 43.8449 0.0000 1 82 14 13 PHE CD2 C 128.9258 0.0000 2 83 14 13 PHE N N 116.1765 0.0000 1 84 15 14 ASP H H 9.2116 0.0000 1 85 15 14 ASP HA H 5.4809 0.0000 1 86 15 14 ASP HB2 H 2.4650 0.0000 2 87 15 14 ASP HB3 H 2.6770 0.0000 2 88 15 14 ASP CA C 54.8126 0.0000 1 89 15 14 ASP CB C 41.8315 0.0000 1 90 15 14 ASP N N 124.4308 0.0000 1 91 16 15 MET H H 8.6833 0.0000 1 92 16 15 MET HA H 5.7263 0.0000 1 93 16 15 MET HB2 H 1.9450 0.0000 2 94 16 15 MET HB3 H 1.6860 0.0000 2 95 16 15 MET HG3 H 2.5050 0.0000 2 96 16 15 MET HE H 1.0900 0.0000 1 97 16 15 MET CA C 52.0131 0.0000 1 98 16 15 MET CB C 31.6917 0.0000 1 99 16 15 MET CG C 30.2790 0.0000 1 100 16 15 MET CE C 13.8000 0.0000 1 101 16 15 MET N N 118.5943 0.0000 1 102 17 16 SER H H 9.7276 0.0000 1 103 17 16 SER HA H 5.1231 0.0000 1 104 17 16 SER HB2 H 3.6720 0.0000 2 105 17 16 SER HB3 H 3.4470 0.0000 2 106 17 16 SER CA C 56.6839 0.0000 1 107 17 16 SER CB C 65.8966 0.0000 1 108 17 16 SER N N 118.0393 0.0000 1 109 18 17 VAL H H 8.6328 0.0000 1 110 18 17 VAL HA H 4.7178 0.0000 1 111 18 17 VAL HB H 2.0010 0.0000 1 112 18 17 VAL HG1 H 0.7752 0.0000 2 113 18 17 VAL HG2 H 0.8210 0.0000 2 114 18 17 VAL CA C 61.4504 0.0000 1 115 18 17 VAL CB C 34.5865 0.0000 1 116 18 17 VAL CG1 C 21.3640 0.0000 2 117 18 17 VAL CG2 C 22.3537 0.0000 2 118 18 17 VAL N N 120.3370 0.0000 1 119 19 18 GLY H H 9.7636 0.0000 1 120 19 18 GLY HA2 H 3.8890 0.0000 2 121 19 18 GLY HA3 H 4.2021 0.0000 2 122 19 18 GLY CA C 47.3834 0.0000 1 123 19 18 GLY N N 118.0936 0.0000 1 124 20 19 GLY H H 9.2664 0.0000 1 125 20 19 GLY HA2 H 3.6220 0.0000 2 126 20 19 GLY HA3 H 4.2200 0.0000 2 127 20 19 GLY CA C 44.8877 0.0000 1 128 20 19 GLY N N 105.4536 0.0000 1 129 21 20 GLN H H 7.3967 0.0000 1 130 21 20 GLN CA C 52.0163 0.0000 1 131 21 20 GLN CB C 29.9777 0.0000 1 132 21 20 GLN N N 118.9735 0.0000 1 133 22 21 PRO HA H 4.2709 0.0000 1 134 22 21 PRO HB2 H 2.3850 0.0000 2 135 22 21 PRO HB3 H 2.1580 0.0000 2 136 22 21 PRO HG3 H 2.0020 0.0000 2 137 22 21 PRO HD2 H 3.9195 0.0000 2 138 22 21 PRO HD3 H 3.7040 0.0000 2 139 22 21 PRO CA C 64.1501 0.0000 1 140 22 21 PRO CB C 32.0870 0.0000 1 141 22 21 PRO CG C 27.6400 0.0000 1 142 22 21 PRO CD C 51.0125 0.0000 1 143 23 22 ALA H H 8.9940 0.0000 1 144 23 22 ALA HA H 4.6780 0.0000 1 145 23 22 ALA HB H 1.2378 0.0000 1 146 23 22 ALA CA C 51.2911 0.0000 1 147 23 22 ALA CB C 21.0502 0.0000 1 148 23 22 ALA N N 125.8393 0.0000 1 149 24 23 GLY H H 7.6792 0.0000 1 150 24 23 GLY HA2 H 3.7574 0.0000 2 151 24 23 GLY HA3 H 4.6629 0.0000 2 152 24 23 GLY CA C 44.0675 0.0000 1 153 24 23 GLY N N 105.9873 0.0000 1 154 25 24 ARG H H 8.1658 0.0000 1 155 25 24 ARG HA H 5.6180 0.0000 1 156 25 24 ARG HB2 H 1.9470 0.0000 2 157 25 24 ARG HB3 H 1.6120 0.0000 2 158 25 24 ARG HD3 H 2.8180 0.0000 2 159 25 24 ARG CA C 54.7072 0.0000 1 160 25 24 ARG CB C 34.0840 0.0000 1 161 25 24 ARG CG C 27.3950 0.0000 1 162 25 24 ARG CD C 42.9420 0.0000 1 163 25 24 ARG N N 119.8032 0.0000 1 164 26 25 ILE H H 9.4652 0.0000 1 165 26 25 ILE HA H 4.6100 0.0000 1 166 26 25 ILE HB H 1.7830 0.0000 1 167 26 25 ILE HG13 H 1.7600 0.0000 2 168 26 25 ILE HG2 H 0.9434 0.0000 1 169 26 25 ILE HD1 H 0.9509 0.0000 1 170 26 25 ILE CA C 60.7071 0.0000 1 171 26 25 ILE CB C 41.6375 0.0000 1 172 26 25 ILE CG1 C 27.2610 0.0000 1 173 26 25 ILE CG2 C 18.7792 0.0000 1 174 26 25 ILE CD1 C 14.1627 0.0000 1 175 26 25 ILE N N 125.9068 0.0000 1 176 27 26 VAL H H 8.9124 0.0000 1 177 27 26 VAL HA H 4.9719 0.0000 1 178 27 26 VAL HB H 1.8830 0.0000 1 179 27 26 VAL HG1 H 0.9172 0.0000 2 180 27 26 VAL HG2 H 0.8342 0.0000 2 181 27 26 VAL CA C 61.5421 0.0000 1 182 27 26 VAL CB C 33.4492 0.0000 1 183 27 26 VAL CG1 C 21.3002 0.0000 2 184 27 26 VAL CG2 C 21.2080 0.0000 2 185 27 26 VAL N N 126.6667 0.0000 1 186 28 27 MET H H 9.5019 0.0000 1 187 28 27 MET HA H 4.8990 0.0000 1 188 28 27 MET HB3 H 1.8590 0.0000 2 189 28 27 MET HG3 H 1.9900 0.0000 2 190 28 27 MET HE H 0.8800 0.0000 1 191 28 27 MET CA C 54.1992 0.0000 1 192 28 27 MET CB C 36.9015 0.0000 1 193 28 27 MET CG C 31.9670 0.0000 1 194 28 27 MET CE C 15.5000 0.0000 1 195 28 27 MET N N 127.3949 0.0000 1 196 29 28 GLU H H 8.8961 0.0000 1 197 29 28 GLU HA H 4.9167 0.0000 1 198 29 28 GLU HB3 H 1.8800 0.0000 2 199 29 28 GLU HG2 H 1.9600 0.0000 2 200 29 28 GLU HG3 H 2.1710 0.0000 2 201 29 28 GLU CA C 54.3948 0.0000 1 202 29 28 GLU CB C 32.9229 0.0000 1 203 29 28 GLU CG C 36.9810 0.0000 1 204 29 28 GLU N N 123.8868 0.0000 1 205 30 29 LEU H H 8.2810 0.0000 1 206 30 29 LEU HA H 4.7520 0.0000 1 207 30 29 LEU HB2 H 1.8170 0.0000 2 208 30 29 LEU HB3 H 1.6250 0.0000 2 209 30 29 LEU HG H 1.2490 0.0000 1 210 30 29 LEU HD1 H 1.1895 0.0000 2 211 30 29 LEU HD2 H 0.4707 0.0000 2 212 30 29 LEU CA C 51.9003 0.0000 1 213 30 29 LEU CB C 43.8338 0.0000 1 214 30 29 LEU CG C 27.0952 0.0000 1 215 30 29 LEU CD1 C 27.0016 0.0000 2 216 30 29 LEU CD2 C 22.5001 0.0000 2 217 30 29 LEU N N 122.5706 0.0000 1 218 31 30 PHE H H 9.1240 0.0000 1 219 31 30 PHE HA H 5.1119 0.0000 1 220 31 30 PHE HB2 H 3.1060 0.0000 2 221 31 30 PHE HB3 H 3.3130 0.0000 2 222 31 30 PHE HD1 H 6.9272 0.0000 3 223 31 30 PHE HE1 H 7.0329 0.0000 3 224 31 30 PHE CA C 52.9967 0.0000 1 225 31 30 PHE CB C 35.0523 0.0000 1 226 31 30 PHE CD1 C 129.5517 0.0000 2 227 31 30 PHE CE1 C 130.3980 0.0000 2 228 31 30 PHE N N 124.0122 0.0000 1 229 32 31 ALA H H 8.5489 0.0000 1 230 32 31 ALA HA H 3.8900 0.0000 1 231 32 31 ALA HB H 1.5118 0.0000 1 232 32 31 ALA CA C 54.6790 0.0000 1 233 32 31 ALA CB C 18.6922 0.0000 1 234 32 31 ALA N N 131.1631 0.0000 1 235 33 32 ASP H H 8.6238 0.0000 1 236 33 32 ASP HA H 4.2696 0.0000 1 237 33 32 ASP HB2 H 2.7690 0.0000 2 238 33 32 ASP HB3 H 2.8650 0.0000 2 239 33 32 ASP CA C 55.2138 0.0000 1 240 33 32 ASP CB C 39.5280 0.0000 1 241 33 32 ASP N N 113.8664 0.0000 1 242 34 33 THR H H 7.7132 0.0000 1 243 34 33 THR HA H 4.4099 0.0000 1 244 34 33 THR HB H 3.9870 0.0000 1 245 34 33 THR HG2 H 1.2786 0.0000 1 246 34 33 THR CA C 64.7778 0.0000 1 247 34 33 THR CB C 70.9141 0.0000 1 248 34 33 THR CG2 C 23.1100 0.0000 1 249 34 33 THR N N 114.3496 0.0000 1 250 35 34 THR H H 8.6716 0.0000 1 251 35 34 THR HA H 4.5500 0.0000 1 252 35 34 THR HB H 4.6700 0.0000 1 253 35 34 THR HG2 H 1.1700 0.0000 1 254 35 34 THR CA C 57.4876 0.0000 1 255 35 34 THR CB C 69.6149 0.0000 1 256 35 34 THR CG2 C 21.5000 0.0000 1 257 35 34 THR N N 111.1500 0.0000 1 258 36 35 PRO HA H 4.4900 0.0000 1 259 36 35 PRO HB2 H 2.0600 0.0000 2 260 36 35 PRO HG2 H 2.0540 0.0000 2 261 36 35 PRO HG3 H 2.1530 0.0000 2 262 36 35 PRO HD2 H 3.6710 0.0000 2 263 36 35 PRO CA C 66.0513 0.0000 1 264 36 35 PRO CB C 31.3997 0.0000 1 265 36 35 PRO CG C 27.2730 0.0000 1 266 36 35 PRO CD C 51.0850 0.0000 1 267 37 36 ARG H H 10.8824 0.0000 1 268 37 36 ARG HA H 4.0478 0.0000 1 269 37 36 ARG HB3 H 1.6330 0.0000 2 270 37 36 ARG HG3 H 1.5520 0.0000 2 271 37 36 ARG HD2 H 2.9503 0.0000 2 272 37 36 ARG HD3 H 3.0424 0.0000 2 273 37 36 ARG CA C 60.0747 0.0000 1 274 37 36 ARG CB C 29.6405 0.0000 1 275 37 36 ARG CG C 28.1360 0.0000 1 276 37 36 ARG CD C 43.4104 0.0000 1 277 37 36 ARG N N 122.8814 0.0000 1 278 38 37 THR H H 10.1524 0.0000 1 279 38 37 THR HA H 4.0510 0.0000 1 280 38 37 THR HB H 4.1050 0.0000 1 281 38 37 THR HG2 H 1.0251 0.0000 1 282 38 37 THR CA C 67.4047 0.0000 1 283 38 37 THR CB C 68.9375 0.0000 1 284 38 37 THR CG2 C 23.0155 0.0000 1 285 38 37 THR N N 123.1898 0.0000 1 286 39 38 ALA H H 9.0312 0.0000 1 287 39 38 ALA HA H 4.1400 0.0000 1 288 39 38 ALA HB H 1.4511 0.0000 1 289 39 38 ALA CA C 55.7477 0.0000 1 290 39 38 ALA CB C 18.5794 0.0000 1 291 39 38 ALA N N 125.2059 0.0000 1 292 40 39 GLU H H 8.0306 0.0000 1 293 40 39 GLU HA H 4.5280 0.0000 1 294 40 39 GLU HB3 H 2.0300 0.0000 2 295 40 39 GLU HG3 H 2.4970 0.0000 2 296 40 39 GLU CA C 58.1258 0.0000 1 297 40 39 GLU CB C 28.4289 0.0000 1 298 40 39 GLU CG C 33.6060 0.0000 1 299 40 39 GLU N N 117.6561 0.0000 1 300 41 40 ASN H H 7.1218 0.0000 1 301 41 40 ASN HA H 4.0062 0.0000 1 302 41 40 ASN HB2 H 2.3060 0.0000 2 303 41 40 ASN HB3 H 2.8520 0.0000 2 304 41 40 ASN CA C 56.7501 0.0000 1 305 41 40 ASN CB C 40.0052 0.0000 1 306 41 40 ASN N N 115.1875 0.0000 1 307 42 41 PHE H H 6.9969 0.0000 1 308 42 41 PHE HA H 4.0800 0.0000 1 309 42 41 PHE HB2 H 3.0400 0.0000 2 310 42 41 PHE HB3 H 3.0800 0.0000 2 311 42 41 PHE CA C 61.8359 0.0000 1 312 42 41 PHE CB C 40.0680 0.0000 1 313 42 41 PHE N N 117.4012 0.0000 1 314 43 42 ARG H H 8.9639 0.0000 1 315 43 42 ARG HA H 3.6630 0.0000 1 316 43 42 ARG HB3 H 1.8790 0.0000 2 317 43 42 ARG HG3 H 1.4990 0.0000 2 318 43 42 ARG HD3 H 2.8210 0.0000 2 319 43 42 ARG CA C 60.5436 0.0000 1 320 43 42 ARG CB C 30.3216 0.0000 1 321 43 42 ARG CG C 24.4050 0.0000 1 322 43 42 ARG CD C 41.4420 0.0000 1 323 43 42 ARG N N 118.8147 0.0000 1 324 44 43 ALA H H 8.5574 0.0000 1 325 44 43 ALA HA H 4.1300 0.0000 1 326 44 43 ALA HB H 1.2959 0.0000 1 327 44 43 ALA CA C 54.3829 0.0000 1 328 44 43 ALA CB C 18.3677 0.0000 1 329 44 43 ALA N N 118.3265 0.0000 1 330 45 44 LEU H H 7.9192 0.0000 1 331 45 44 LEU HA H 3.8500 0.0000 1 332 45 44 LEU HB2 H -0.3210 0.0000 2 333 45 44 LEU HB3 H 1.5000 0.0000 2 334 45 44 LEU HG H 1.4872 0.0000 1 335 45 44 LEU HD1 H 0.3136 0.0000 2 336 45 44 LEU HD2 H 0.8267 0.0000 2 337 45 44 LEU CA C 56.7875 0.0000 1 338 45 44 LEU CB C 41.0229 0.0000 1 339 45 44 LEU CG C 25.8506 0.0000 1 340 45 44 LEU CD1 C 23.4644 0.0000 2 341 45 44 LEU CD2 C 26.2938 0.0000 2 342 45 44 LEU N N 122.4434 0.0000 1 343 46 45 CYS H H 7.8765 0.0000 1 344 46 45 CYS HA H 3.5308 0.0000 1 345 46 45 CYS HB3 H 2.2650 0.0000 2 346 46 45 CYS CA C 63.9168 0.0000 1 347 46 45 CYS CB C 27.0079 0.0000 1 348 46 45 CYS N N 119.0032 0.0000 1 349 47 46 THR H H 7.8096 0.0000 1 350 47 46 THR HA H 4.4230 0.0000 1 351 47 46 THR HB H 4.4800 0.0000 1 352 47 46 THR HG2 H 1.3256 0.0000 1 353 47 46 THR CA C 62.8105 0.0000 1 354 47 46 THR CB C 69.5123 0.0000 1 355 47 46 THR CG2 C 22.2048 0.0000 1 356 47 46 THR N N 107.7761 0.0000 1 357 48 47 GLY H H 8.0207 0.0000 1 358 48 47 GLY HA2 H 2.6910 0.0000 2 359 48 47 GLY HA3 H 3.7960 0.0000 2 360 48 47 GLY CA C 44.9789 0.0000 1 361 48 47 GLY N N 110.3283 0.0000 1 362 49 48 GLU H H 7.9190 0.0000 1 363 49 48 GLU HA H 4.1290 0.0000 1 364 49 48 GLU HB3 H 1.7480 0.0000 2 365 49 48 GLU HG2 H 1.7480 0.0000 2 366 49 48 GLU HG3 H 2.0510 0.0000 2 367 49 48 GLU CA C 58.0708 0.0000 1 368 49 48 GLU CB C 30.3400 0.0000 1 369 49 48 GLU CG C 35.3640 0.0000 1 370 49 48 GLU N N 116.8162 0.0000 1 371 50 49 LYS H H 9.2670 0.0000 1 372 50 49 LYS HA H 4.2958 0.0000 1 373 50 49 LYS HB3 H 1.8390 0.0000 2 374 50 49 LYS HG3 H 1.1700 0.0000 2 375 50 49 LYS HD3 H 1.5260 0.0000 2 376 50 49 LYS HE2 H 2.5950 0.0000 2 377 50 49 LYS HE3 H 2.8050 0.0000 2 378 50 49 LYS CA C 54.5130 0.0000 1 379 50 49 LYS CB C 30.5389 0.0000 1 380 50 49 LYS CG C 25.1000 0.0000 1 381 50 49 LYS CD C 27.1450 0.0000 1 382 50 49 LYS CE C 42.1970 0.0000 1 383 50 49 LYS N N 119.4544 0.0000 1 384 51 50 GLY H H 7.3953 0.0000 1 385 51 50 GLY HA2 H 3.6170 0.0000 2 386 51 50 GLY HA3 H 4.0980 0.0000 2 387 51 50 GLY CA C 45.9843 0.0000 1 388 51 50 GLY N N 106.1767 0.0000 1 389 52 51 THR H H 8.6194 0.0000 1 390 52 51 THR HA H 4.1370 0.0000 1 391 52 51 THR HB H 3.8350 0.0000 1 392 52 51 THR HG2 H 1.0950 0.0000 1 393 52 51 THR CA C 62.8945 0.0000 1 394 52 51 THR CB C 69.8878 0.0000 1 395 52 51 THR CG2 C 21.7390 0.0000 1 396 52 51 THR N N 120.8845 0.0000 1 397 53 52 GLY H H 8.4407 0.0000 1 398 53 52 GLY HA2 H 3.9390 0.0000 2 399 53 52 GLY HA3 H 4.3794 0.0000 2 400 53 52 GLY CA C 44.2765 0.0000 1 401 53 52 GLY N N 112.5338 0.0000 1 402 54 53 ARG H H 10.6150 0.0000 1 403 54 53 ARG HA H 4.0861 0.0000 1 404 54 53 ARG HB3 H 1.9080 0.0000 2 405 54 53 ARG HG3 H 1.7840 0.0000 2 406 54 53 ARG HD3 H 3.2490 0.0000 2 407 54 53 ARG CA C 58.6888 0.0000 1 408 54 53 ARG CB C 29.6046 0.0000 1 409 54 53 ARG CG C 27.3630 0.0000 1 410 54 53 ARG CD C 43.1140 0.0000 1 411 54 53 ARG N N 125.7473 0.0000 1 412 55 54 SER H H 9.2613 0.0000 1 413 55 54 SER HA H 4.2729 0.0000 1 414 55 54 SER HB2 H 3.8928 0.0000 2 415 55 54 SER HB3 H 4.0110 0.0000 2 416 55 54 SER CA C 59.4761 0.0000 1 417 55 54 SER CB C 64.0988 0.0000 1 418 55 54 SER N N 113.8271 0.0000 1 419 56 55 GLY H H 7.8674 0.0000 1 420 56 55 GLY HA2 H 3.5470 0.0000 2 421 56 55 GLY HA3 H 4.3294 0.0000 2 422 56 55 GLY CA C 45.1064 0.0000 1 423 56 55 GLY N N 108.8915 0.0000 1 424 57 56 LYS H H 7.7020 0.0000 1 425 57 56 LYS CA C 52.5789 0.0000 1 426 57 56 LYS CB C 32.1064 0.0000 1 427 57 56 LYS N N 119.7865 0.0000 1 428 58 57 PRO HA H 4.1700 0.0000 1 429 58 57 PRO HB2 H 1.8300 0.0000 2 430 58 57 PRO HB3 H 2.3200 0.0000 2 431 58 57 PRO HG2 H 2.2100 0.0000 2 432 58 57 PRO HG3 H 1.9900 0.0000 2 433 58 57 PRO HD2 H 3.6900 0.0000 2 434 58 57 PRO HD3 H 4.0200 0.0000 2 435 58 57 PRO CA C 63.4852 0.0000 1 436 58 57 PRO CB C 32.2447 0.0000 1 437 58 57 PRO CG C 27.7270 0.0000 1 438 58 57 PRO CD C 50.7960 0.0000 1 439 59 58 LEU H H 8.3955 0.0000 1 440 59 58 LEU HA H 3.6630 0.0000 1 441 59 58 LEU HB2 H 0.8600 0.0000 2 442 59 58 LEU HB3 H 1.3600 0.0000 2 443 59 58 LEU HG H 1.4076 0.0000 1 444 59 58 LEU HD1 H 0.7184 0.0000 2 445 59 58 LEU HD2 H 0.5265 0.0000 2 446 59 58 LEU CA C 52.5578 0.0000 1 447 59 58 LEU CB C 39.1071 0.0000 1 448 59 58 LEU CG C 26.9925 0.0000 1 449 59 58 LEU CD1 C 23.7753 0.0000 2 450 59 58 LEU CD2 C 26.6613 0.0000 2 451 59 58 LEU N N 124.3849 0.0000 1 452 60 59 HIS H H 6.5675 0.0000 1 453 60 59 HIS HA H 5.2924 0.0000 1 454 60 59 HIS HB2 H 2.5540 0.0000 2 455 60 59 HIS HB3 H 2.8900 0.0000 2 456 60 59 HIS CA C 51.3344 0.0000 1 457 60 59 HIS CB C 35.5711 0.0000 1 458 60 59 HIS N N 122.5745 0.0000 1 459 61 60 TYR H H 8.2658 0.0000 1 460 61 60 TYR HA H 4.5250 0.0000 1 461 61 60 TYR HB3 H 2.8590 0.0000 2 462 61 60 TYR HE1 H 6.6677 0.0000 3 463 61 60 TYR CA C 57.0554 0.0000 1 464 61 60 TYR CB C 38.5003 0.0000 1 465 61 60 TYR CE1 C 114.2840 0.0000 2 466 61 60 TYR N N 120.6549 0.0000 1 467 62 61 LYS H H 5.7855 0.0000 1 468 62 61 LYS HA H 3.2148 0.0000 1 469 62 61 LYS HB3 H 1.7960 0.0000 2 470 62 61 LYS HG2 H 1.1280 0.0000 2 471 62 61 LYS HG3 H 1.2700 0.0000 2 472 62 61 LYS HD3 H 1.6580 0.0000 2 473 62 61 LYS HE3 H 3.1780 0.0000 2 474 62 61 LYS CA C 58.9142 0.0000 1 475 62 61 LYS CB C 32.1745 0.0000 1 476 62 61 LYS CG C 24.9580 0.0000 1 477 62 61 LYS CD C 29.9890 0.0000 1 478 62 61 LYS CE C 42.3060 0.0000 1 479 62 61 LYS N N 125.2427 0.0000 1 480 63 62 ASP H H 9.3531 0.0000 1 481 63 62 ASP HA H 4.1640 0.0000 1 482 63 62 ASP HB3 H 2.9580 0.0000 2 483 63 62 ASP CA C 57.3023 0.0000 1 484 63 62 ASP CB C 39.4955 0.0000 1 485 63 62 ASP N N 122.6797 0.0000 1 486 64 63 SER H H 8.0657 0.0000 1 487 64 63 SER HA H 4.7090 0.0000 1 488 64 63 SER HB2 H 4.1050 0.0000 2 489 64 63 SER HB3 H 4.2320 0.0000 2 490 64 63 SER CA C 58.5815 0.0000 1 491 64 63 SER CB C 65.4375 0.0000 1 492 64 63 SER N N 114.6388 0.0000 1 493 65 64 SER H H 9.1803 0.0000 1 494 65 64 SER HA H 5.8406 0.0000 1 495 65 64 SER HB2 H 3.8799 0.0000 2 496 65 64 SER HB3 H 3.9942 0.0000 2 497 65 64 SER CA C 57.0877 0.0000 1 498 65 64 SER CB C 67.0331 0.0000 1 499 65 64 SER N N 112.7401 0.0000 1 500 66 65 PHE H H 8.3928 0.0000 1 501 66 65 PHE HA H 5.3312 0.0000 1 502 66 65 PHE HB2 H 2.6250 0.0000 2 503 66 65 PHE HB3 H 3.0110 0.0000 2 504 66 65 PHE HD1 H 6.9408 0.0000 3 505 66 65 PHE HE1 H 7.1299 0.0000 3 506 66 65 PHE CA C 55.9608 0.0000 1 507 66 65 PHE CB C 36.5405 0.0000 1 508 66 65 PHE CD1 C 128.8402 0.0000 2 509 66 65 PHE CE1 C 130.1354 0.0000 2 510 66 65 PHE N N 124.0570 0.0000 1 511 67 66 HIS H H 7.5684 0.0000 1 512 67 66 HIS HA H 4.6727 0.0000 1 513 67 66 HIS HB2 H 2.7690 0.0000 2 514 67 66 HIS HB3 H 3.2690 0.0000 2 515 67 66 HIS CA C 57.2978 0.0000 1 516 67 66 HIS CB C 31.6501 0.0000 1 517 67 66 HIS N N 119.7146 0.0000 1 518 68 67 ARG H H 6.9197 0.0000 1 519 68 67 ARG HA H 5.0530 0.0000 1 520 68 67 ARG HB3 H 1.5580 0.0000 2 521 68 67 ARG HG3 H 1.2150 0.0000 2 522 68 67 ARG HD2 H 3.2080 0.0000 2 523 68 67 ARG HD3 H 3.0573 0.0000 2 524 68 67 ARG CA C 54.8090 0.0000 1 525 68 67 ARG CB C 33.6173 0.0000 1 526 68 67 ARG CG C 28.0060 0.0000 1 527 68 67 ARG CD C 43.8442 0.0000 1 528 68 67 ARG N N 122.5630 0.0000 1 529 69 68 VAL H H 9.2704 0.0000 1 530 69 68 VAL HA H 4.4560 0.0000 1 531 69 68 VAL HB H 1.8350 0.0000 1 532 69 68 VAL HG1 H 0.8020 0.0000 2 533 69 68 VAL HG2 H 1.0739 0.0000 2 534 69 68 VAL CA C 62.0634 0.0000 1 535 69 68 VAL CB C 35.4918 0.0000 1 536 69 68 VAL CG1 C 21.2050 0.0000 2 537 69 68 VAL CG2 C 22.0632 0.0000 2 538 69 68 VAL N N 127.1731 0.0000 1 539 70 69 ILE H H 8.7588 0.0000 1 540 70 69 ILE HA H 5.1500 0.0000 1 541 70 69 ILE HB H 1.9200 0.0000 1 542 70 69 ILE HG12 H 1.1830 0.0000 2 543 70 69 ILE HG13 H 1.4600 0.0000 2 544 70 69 ILE HG2 H 1.0976 0.0000 1 545 70 69 ILE HD1 H 0.9000 0.0000 1 546 70 69 ILE CA C 57.6977 0.0000 1 547 70 69 ILE CB C 40.3693 0.0000 1 548 70 69 ILE CG1 C 27.1200 0.0000 1 549 70 69 ILE CG2 C 17.6863 0.0000 1 550 70 69 ILE CD1 C 13.6200 0.0000 1 551 70 69 ILE N N 127.5241 0.0000 1 552 71 70 PRO HA H 4.3250 0.0000 1 553 71 70 PRO HB2 H 2.2810 0.0000 2 554 71 70 PRO HB3 H 2.0610 0.0000 2 555 71 70 PRO HG3 H 1.8650 0.0000 2 556 71 70 PRO HD2 H 3.9960 0.0000 2 557 71 70 PRO HD3 H 4.2760 0.0000 2 558 71 70 PRO CA C 63.2399 0.0000 1 559 71 70 PRO CB C 32.0282 0.0000 1 560 71 70 PRO CG C 27.0950 0.0000 1 561 71 70 PRO CD C 52.1680 0.0000 1 562 72 71 GLY H H 9.5792 0.0000 1 563 72 71 GLY HA2 H 3.7500 0.0000 2 564 72 71 GLY HA3 H 4.0750 0.0000 2 565 72 71 GLY CA C 45.1659 0.0000 1 566 72 71 GLY N N 113.6076 0.0000 1 567 73 72 PHE H H 8.1224 0.0000 1 568 73 72 PHE HA H 5.1240 0.0000 1 569 73 72 PHE HB2 H 2.9890 0.0000 2 570 73 72 PHE HB3 H 3.1560 0.0000 2 571 73 72 PHE HD1 H 7.1510 0.0000 3 572 73 72 PHE HE1 H 6.8954 0.0000 3 573 73 72 PHE CA C 56.7466 0.0000 1 574 73 72 PHE CB C 39.8868 0.0000 1 575 73 72 PHE CD1 C 130.5330 0.0000 2 576 73 72 PHE CE1 C 128.7896 0.0000 2 577 73 72 PHE N N 119.1189 0.0000 1 578 74 73 MET H H 8.0336 0.0000 1 579 74 73 MET HA H 5.2152 0.0000 1 580 74 73 MET HB2 H 2.1080 0.0000 2 581 74 73 MET HB3 H 1.3600 0.0000 2 582 74 73 MET HG3 H 0.9130 0.0000 2 583 74 73 MET CA C 54.9490 0.0000 1 584 74 73 MET CB C 34.5723 0.0000 1 585 74 73 MET CG C 28.8190 0.0000 1 586 74 73 MET N N 111.3455 0.0000 1 587 75 74 CYS H H 8.4506 0.0000 1 588 75 74 CYS HA H 4.8343 0.0000 1 589 75 74 CYS HB2 H 2.5560 0.0000 2 590 75 74 CYS HB3 H 2.9190 0.0000 2 591 75 74 CYS CA C 57.0750 0.0000 1 592 75 74 CYS CB C 30.4166 0.0000 1 593 75 74 CYS N N 115.0761 0.0000 1 594 76 75 GLN H H 9.3474 0.0000 1 595 76 75 GLN HA H 5.1539 0.0000 1 596 76 75 GLN HB3 H 1.9590 0.0000 2 597 76 75 GLN HG3 H 2.4960 0.0000 2 598 76 75 GLN CA C 54.1665 0.0000 1 599 76 75 GLN CB C 30.5796 0.0000 1 600 76 75 GLN CG C 33.2270 0.0000 1 601 76 75 GLN N N 125.9502 0.0000 1 602 77 76 GLY H H 7.1386 0.0000 1 603 77 76 GLY HA2 H 2.8380 0.0000 2 604 77 76 GLY HA3 H 4.8000 0.0000 2 605 77 76 GLY CA C 44.8146 0.0000 1 606 77 76 GLY N N 109.7792 0.0000 1 607 78 77 GLY H H 9.4447 0.0000 1 608 78 77 GLY HA2 H 3.9370 0.0000 2 609 78 77 GLY HA3 H 4.8770 0.0000 2 610 78 77 GLY CA C 46.9155 0.0000 1 611 78 77 GLY N N 105.8150 0.0000 1 612 79 78 ASP H H 10.0731 0.0000 1 613 79 78 ASP HA H 4.4184 0.0000 1 614 79 78 ASP HB2 H 2.6800 0.0000 2 615 79 78 ASP HB3 H 2.7200 0.0000 2 616 79 78 ASP CA C 51.8774 0.0000 1 617 79 78 ASP CB C 38.8566 0.0000 1 618 79 78 ASP N N 123.9762 0.0000 1 619 80 79 PHE H H 6.7456 0.0000 1 620 80 79 PHE HA H 4.9818 0.0000 1 621 80 79 PHE HB2 H 2.6780 0.0000 2 622 80 79 PHE HB3 H 4.1180 0.0000 2 623 80 79 PHE HD2 H 7.1740 0.0000 3 624 80 79 PHE HE2 H 7.1618 0.0000 3 625 80 79 PHE CA C 56.1098 0.0000 1 626 80 79 PHE CB C 39.3136 0.0000 1 627 80 79 PHE CD2 C 130.0848 0.0000 2 628 80 79 PHE CE2 C 128.5840 0.0000 2 629 80 79 PHE N N 116.5150 0.0000 1 630 81 80 THR H H 7.6088 0.0000 1 631 81 80 THR HA H 4.6824 0.0000 1 632 81 80 THR HB H 4.3070 0.0000 1 633 81 80 THR HG2 H 0.8968 0.0000 1 634 81 80 THR CA C 62.3091 0.0000 1 635 81 80 THR CB C 68.4025 0.0000 1 636 81 80 THR CG2 C 23.0806 0.0000 1 637 81 80 THR N N 110.1987 0.0000 1 638 82 81 ALA H H 8.8071 0.0000 1 639 82 81 ALA HA H 4.5100 0.0000 1 640 82 81 ALA HB H 1.3603 0.0000 1 641 82 81 ALA CA C 52.2796 0.0000 1 642 82 81 ALA CB C 20.8182 0.0000 1 643 82 81 ALA N N 126.2867 0.0000 1 644 83 82 GLY H H 7.3149 0.0000 1 645 83 82 GLY HA2 H 3.9010 0.0000 2 646 83 82 GLY HA3 H 4.0750 0.0000 2 647 83 82 GLY CA C 46.4843 0.0000 1 648 83 82 GLY N N 104.7056 0.0000 1 649 84 83 ASN H H 7.3387 0.0000 1 650 84 83 ASN HA H 4.6314 0.0000 1 651 84 83 ASN HB2 H 2.6470 0.0000 2 652 84 83 ASN HB3 H 3.1850 0.0000 2 653 84 83 ASN CA C 51.8941 0.0000 1 654 84 83 ASN CB C 39.1470 0.0000 1 655 84 83 ASN N N 112.9866 0.0000 1 656 85 84 GLY H H 9.6828 0.0000 1 657 85 84 GLY HA2 H 3.4090 0.0000 2 658 85 84 GLY HA3 H 4.5440 0.0000 2 659 85 84 GLY CA C 45.1198 0.0000 1 660 85 84 GLY N N 110.8137 0.0000 1 661 86 85 THR H H 7.9567 0.0000 1 662 86 85 THR HA H 4.4277 0.0000 1 663 86 85 THR HB H 4.2544 0.0000 1 664 86 85 THR HG1 H 4.2550 0.0000 1 665 86 85 THR HG2 H 1.0738 0.0000 1 666 86 85 THR CA C 62.5415 0.0000 1 667 86 85 THR CB C 70.6816 0.0000 1 668 86 85 THR CG2 C 20.9721 0.0000 1 669 86 85 THR N N 112.3109 0.0000 1 670 87 86 GLY H H 8.7488 0.0000 1 671 87 86 GLY HA2 H 3.7230 0.0000 2 672 87 86 GLY HA3 H 4.5360 0.0000 2 673 87 86 GLY CA C 45.2671 0.0000 1 674 87 86 GLY N N 113.5017 0.0000 1 675 88 87 GLY H H 8.4953 0.0000 1 676 88 87 GLY HA2 H 2.6000 0.0000 2 677 88 87 GLY HA3 H 4.6733 0.0000 2 678 88 87 GLY CA C 43.3414 0.0000 1 679 88 87 GLY N N 109.7167 0.0000 1 680 89 88 GLU H H 6.9629 0.0000 1 681 89 88 GLU HA H 4.4710 0.0000 1 682 89 88 GLU HB3 H 1.9900 0.0000 2 683 89 88 GLU HG2 H 2.1120 0.0000 2 684 89 88 GLU HG3 H 2.3600 0.0000 2 685 89 88 GLU CA C 56.4947 0.0000 1 686 89 88 GLU CB C 32.8872 0.0000 1 687 89 88 GLU CG C 36.0450 0.0000 1 688 89 88 GLU N N 118.6168 0.0000 1 689 90 89 SER H H 8.1359 0.0000 1 690 90 89 SER HA H 5.0550 0.0000 1 691 90 89 SER HB2 H 4.4190 0.0000 2 692 90 89 SER HB3 H 4.1790 0.0000 2 693 90 89 SER CA C 57.1810 0.0000 1 694 90 89 SER CB C 68.6478 0.0000 1 695 90 89 SER N N 116.0418 0.0000 1 696 91 90 ILE H H 8.5923 0.0000 1 697 91 90 ILE HA H 3.9470 0.0000 1 698 91 90 ILE HB H 1.7250 0.0000 1 699 91 90 ILE HG12 H 0.7587 0.0000 2 700 91 90 ILE HG13 H 0.8435 0.0000 2 701 91 90 ILE HG2 H 0.7312 0.0000 1 702 91 90 ILE HD1 H 0.4665 0.0000 1 703 91 90 ILE CA C 63.7819 0.0000 1 704 91 90 ILE CB C 37.2101 0.0000 1 705 91 90 ILE CG1 C 17.4078 0.0000 1 706 91 90 ILE CG2 C 17.4388 0.0000 1 707 91 90 ILE CD1 C 14.2188 0.0000 1 708 91 90 ILE N N 112.1217 0.0000 1 709 92 91 TYR H H 7.8639 0.0000 1 710 92 91 TYR HA H 4.6630 0.0000 1 711 92 91 TYR HB2 H 2.4160 0.0000 2 712 92 91 TYR HB3 H 3.4210 0.0000 2 713 92 91 TYR HD2 H 6.4660 0.0000 3 714 92 91 TYR HE2 H 6.0444 0.0000 3 715 92 91 TYR CA C 56.4354 0.0000 1 716 92 91 TYR CB C 38.6375 0.0000 1 717 92 91 TYR CD2 C 131.8181 0.0000 2 718 92 91 TYR CE2 C 116.5209 0.0000 2 719 92 91 TYR N N 120.0658 0.0000 1 720 93 92 GLY H H 7.2680 0.0000 1 721 93 92 GLY HA2 H 3.8938 0.0000 2 722 93 92 GLY HA3 H 4.5747 0.0000 2 723 93 92 GLY CA C 44.4460 0.0000 1 724 93 92 GLY N N 107.3065 0.0000 1 725 94 93 ALA H H 8.5442 0.0000 1 726 94 93 ALA HA H 4.2430 0.0000 1 727 94 93 ALA HB H 1.5052 0.0000 1 728 94 93 ALA CA C 54.6874 0.0000 1 729 94 93 ALA CB C 19.6525 0.0000 1 730 94 93 ALA N N 124.5045 0.0000 1 731 95 94 LYS H H 7.9513 0.0000 1 732 95 94 LYS HA H 5.3497 0.0000 1 733 95 94 LYS HB3 H 1.5790 0.0000 2 734 95 94 LYS HG3 H 1.3030 0.0000 2 735 95 94 LYS HD3 H 1.5790 0.0000 2 736 95 94 LYS HE3 H 2.9490 0.0000 2 737 95 94 LYS CA C 54.7870 0.0000 1 738 95 94 LYS CB C 35.5491 0.0000 1 739 95 94 LYS CG C 24.5150 0.0000 1 740 95 94 LYS CD C 29.1420 0.0000 1 741 95 94 LYS CE C 42.3120 0.0000 1 742 95 94 LYS N N 113.7065 0.0000 1 743 96 95 PHE H H 9.1175 0.0000 1 744 96 95 PHE HA H 5.0692 0.0000 1 745 96 95 PHE HB2 H 2.9960 0.0000 2 746 96 95 PHE HB3 H 3.1040 0.0000 2 747 96 95 PHE HD2 H 7.3883 0.0000 3 748 96 95 PHE HE2 H 7.6118 0.0000 3 749 96 95 PHE CA C 55.5676 0.0000 1 750 96 95 PHE CB C 42.1172 0.0000 1 751 96 95 PHE CD2 C 133.4167 0.0000 2 752 96 95 PHE CE2 C 130.3103 0.0000 2 753 96 95 PHE N N 116.8053 0.0000 1 754 97 96 ALA H H 8.4260 0.0000 1 755 97 96 ALA HA H 3.8100 0.0000 1 756 97 96 ALA HB H 1.3160 0.0000 1 757 97 96 ALA CA C 52.3373 0.0000 1 758 97 96 ALA CB C 19.4380 0.0000 1 759 97 96 ALA N N 122.1816 0.0000 1 760 98 97 ASP H H 8.8634 0.0000 1 761 98 97 ASP HA H 4.2429 0.0000 1 762 98 97 ASP HB2 H 1.9700 0.0000 2 763 98 97 ASP HB3 H 2.4280 0.0000 2 764 98 97 ASP CA C 54.6659 0.0000 1 765 98 97 ASP CB C 41.0197 0.0000 1 766 98 97 ASP N N 119.5685 0.0000 1 767 99 98 GLU H H 9.3288 0.0000 1 768 99 98 GLU HA H 3.8213 0.0000 1 769 99 98 GLU HB2 H 1.8800 0.0000 2 770 99 98 GLU HB3 H 2.2600 0.0000 2 771 99 98 GLU HG3 H 2.4060 0.0000 2 772 99 98 GLU CA C 60.4390 0.0000 1 773 99 98 GLU CB C 31.9553 0.0000 1 774 99 98 GLU CG C 35.9500 0.0000 1 775 99 98 GLU N N 131.2045 0.0000 1 776 100 99 ASN H H 7.0249 0.0000 1 777 100 99 ASN HA H 4.1530 0.0000 1 778 100 99 ASN HB2 H 2.7220 0.0000 2 779 100 99 ASN HB3 H 3.5090 0.0000 2 780 100 99 ASN CA C 52.9112 0.0000 1 781 100 99 ASN CB C 39.4582 0.0000 1 782 100 99 ASN N N 106.6253 0.0000 1 783 101 100 PHE H H 8.3905 0.0000 1 784 101 100 PHE HA H 5.9700 0.0000 1 785 101 100 PHE HB2 H 3.5400 0.0000 2 786 101 100 PHE HB3 H 2.5530 0.0000 2 787 101 100 PHE HD2 H 7.2369 0.0000 3 788 101 100 PHE CA C 55.8646 0.0000 1 789 101 100 PHE CB C 38.8090 0.0000 1 790 101 100 PHE CD2 C 129.5961 0.0000 2 791 101 100 PHE N N 113.2585 0.0000 1 792 102 101 ILE H H 8.1645 0.0000 1 793 102 101 ILE HA H 3.5695 0.0000 1 794 102 101 ILE HB H 1.6900 0.0000 1 795 102 101 ILE HG12 H 1.1100 0.0000 2 796 102 101 ILE HG13 H 1.5207 0.0000 2 797 102 101 ILE HG2 H 0.8348 0.0000 1 798 102 101 ILE HD1 H 0.9082 0.0000 1 799 102 101 ILE CA C 65.4201 0.0000 1 800 102 101 ILE CB C 38.5822 0.0000 1 801 102 101 ILE CG1 C 29.8290 0.0000 1 802 102 101 ILE CG2 C 16.7634 0.0000 1 803 102 101 ILE CD1 C 13.3983 0.0000 1 804 102 101 ILE N N 120.7199 0.0000 1 805 103 102 LYS H H 8.3707 0.0000 1 806 103 102 LYS HA H 4.4004 0.0000 1 807 103 102 LYS HB2 H 1.9840 0.0000 2 808 103 102 LYS HB3 H 2.3000 0.0000 2 809 103 102 LYS HG2 H 1.4400 0.0000 2 810 103 102 LYS HG3 H 1.3050 0.0000 2 811 103 102 LYS HD3 H 1.7600 0.0000 2 812 103 102 LYS HE2 H 1.9800 0.0000 2 813 103 102 LYS HE3 H 2.3000 0.0000 2 814 103 102 LYS CA C 54.8309 0.0000 1 815 103 102 LYS CB C 32.0793 0.0000 1 816 103 102 LYS CG C 25.1650 0.0000 1 817 103 102 LYS CD C 28.1150 0.0000 1 818 103 102 LYS CE C 41.5100 0.0000 1 819 103 102 LYS N N 116.4045 0.0000 1 820 104 103 LYS H H 8.1638 0.0000 1 821 104 103 LYS HA H 4.6359 0.0000 1 822 104 103 LYS HB3 H 2.2450 0.0000 2 823 104 103 LYS HG3 H 1.4360 0.0000 2 824 104 103 LYS HD3 H 1.5760 0.0000 2 825 104 103 LYS HE3 H 3.0500 0.0000 2 826 104 103 LYS CA C 54.3532 0.0000 1 827 104 103 LYS CB C 34.4820 0.0000 1 828 104 103 LYS CG C 25.9020 0.0000 1 829 104 103 LYS CD C 28.2810 0.0000 1 830 104 103 LYS CE C 42.7321 0.0000 1 831 104 103 LYS N N 119.4812 0.0000 1 832 105 104 HIS H H 10.6589 0.0000 1 833 105 104 HIS HA H 4.3800 0.0000 1 834 105 104 HIS HB2 H 2.8890 0.0000 2 835 105 104 HIS HB3 H 3.1600 0.0000 2 836 105 104 HIS CA C 56.9185 0.0000 1 837 105 104 HIS CB C 25.9585 0.0000 1 838 105 104 HIS N N 122.3373 0.0000 1 839 106 105 THR H H 7.3647 0.0000 1 840 106 105 THR HA H 4.0111 0.0000 1 841 106 105 THR HB H 4.4725 0.0000 1 842 106 105 THR HG2 H 1.2213 0.0000 1 843 106 105 THR CA C 63.2744 0.0000 1 844 106 105 THR CB C 69.5570 0.0000 1 845 106 105 THR CG2 C 22.8874 0.0000 1 846 106 105 THR N N 110.5371 0.0000 1 847 107 106 GLY H H 7.4580 0.0000 1 848 107 106 GLY HA3 H 3.7600 0.0000 2 849 107 106 GLY CA C 45.8883 0.0000 1 850 107 106 GLY N N 107.4534 0.0000 1 851 108 107 PRO HA H 3.8000 0.0000 1 852 108 107 PRO HB2 H 1.9700 0.0000 2 853 108 107 PRO HB3 H 1.7900 0.0000 2 854 108 107 PRO HG2 H 1.8600 0.0000 2 855 108 107 PRO HG3 H 2.1670 0.0000 2 856 108 107 PRO HD2 H 3.6080 0.0000 2 857 108 107 PRO HD3 H 3.4600 0.0000 2 858 108 107 PRO CA C 62.5975 0.0000 1 859 108 107 PRO CB C 32.1097 0.0000 1 860 108 107 PRO CG C 27.4620 0.0000 1 861 108 107 PRO CD C 49.6530 0.0000 1 862 109 108 GLY H H 9.2971 0.0000 1 863 109 108 GLY HA2 H 3.2930 0.0000 2 864 109 108 GLY HA3 H 4.5676 0.0000 2 865 109 108 GLY CA C 45.2331 0.0000 1 866 109 108 GLY N N 110.6165 0.0000 1 867 110 109 ILE H H 6.7566 0.0000 1 868 110 109 ILE HA H 3.9990 0.0000 1 869 110 109 ILE HB H 2.1980 0.0000 1 870 110 109 ILE HG12 H 1.6560 0.0000 2 871 110 109 ILE HG13 H 1.8670 0.0000 2 872 110 109 ILE HG2 H 0.9874 0.0000 1 873 110 109 ILE HD1 H 0.9791 0.0000 1 874 110 109 ILE CA C 59.4898 0.0000 1 875 110 109 ILE CB C 37.9080 0.0000 1 876 110 109 ILE CG1 C 28.8000 0.0000 1 877 110 109 ILE CG2 C 20.5741 0.0000 1 878 110 109 ILE CD1 C 9.1732 0.0000 1 879 110 109 ILE N N 122.3284 0.0000 1 880 111 110 LEU H H 7.7240 0.0000 1 881 111 110 LEU HA H 4.9620 0.0000 1 882 111 110 LEU HB2 H -0.0132 0.0000 2 883 111 110 LEU HB3 H 0.1421 0.0000 2 884 111 110 LEU HG H 0.6213 0.0000 1 885 111 110 LEU HD1 H 0.0884 0.0000 2 886 111 110 LEU HD2 H -0.0821 0.0000 2 887 111 110 LEU CA C 53.4547 0.0000 1 888 111 110 LEU CB C 42.7137 0.0000 1 889 111 110 LEU CG C 27.1676 0.0000 1 890 111 110 LEU CD1 C 24.8614 0.0000 2 891 111 110 LEU CD2 C 25.9286 0.0000 2 892 111 110 LEU N N 128.1658 0.0000 1 893 112 111 SER H H 8.3665 0.0000 1 894 112 111 SER HA H 5.3630 0.0000 1 895 112 111 SER HB2 H 2.9000 0.0000 2 896 112 111 SER HB3 H 3.2300 0.0000 2 897 112 111 SER CA C 54.9856 0.0000 1 898 112 111 SER CB C 65.3565 0.0000 1 899 112 111 SER N N 117.9620 0.0000 1 900 113 112 MET H H 8.6532 0.0000 1 901 113 112 MET HA H 5.2746 0.0000 1 902 113 112 MET HB3 H 2.2900 0.0000 2 903 113 112 MET HG2 H 2.7900 0.0000 2 904 113 112 MET CA C 54.0141 0.0000 1 905 113 112 MET CB C 31.1376 0.0000 1 906 113 112 MET CG C 32.0340 0.0000 1 907 113 112 MET N N 123.4447 0.0000 1 908 114 113 ALA H H 8.0003 0.0000 1 909 114 113 ALA HA H 4.2200 0.0000 1 910 114 113 ALA HB H 1.0785 0.0000 1 911 114 113 ALA CA C 51.5808 0.0000 1 912 114 113 ALA CB C 19.4429 0.0000 1 913 114 113 ALA N N 126.7555 0.0000 1 914 115 114 ASN H H 8.2135 0.0000 1 915 115 114 ASN HA H 4.5798 0.0000 1 916 115 114 ASN HB2 H 2.8470 0.0000 2 917 115 114 ASN HB3 H 3.2860 0.0000 2 918 115 114 ASN CA C 54.0741 0.0000 1 919 115 114 ASN CB C 40.5723 0.0000 1 920 115 114 ASN N N 114.0096 0.0000 1 921 116 115 ALA H H 8.7982 0.0000 1 922 116 115 ALA HA H 4.8245 0.0000 1 923 116 115 ALA HB H 1.3207 0.0000 1 924 116 115 ALA CA C 50.4849 0.0000 1 925 116 115 ALA CB C 19.2712 0.0000 1 926 116 115 ALA N N 123.5304 0.0000 1 927 117 116 GLY H H 8.0288 0.0000 1 928 117 116 GLY HA3 H 3.8500 0.0000 2 929 117 116 GLY CA C 43.5758 0.0000 1 930 117 116 GLY N N 109.0692 0.0000 1 931 118 117 PRO HA H 4.3280 0.0000 1 932 118 117 PRO HB2 H 2.3490 0.0000 2 933 118 117 PRO HG2 H 1.8250 0.0000 2 934 118 117 PRO HG3 H 1.9400 0.0000 2 935 118 117 PRO HD2 H 3.6540 0.0000 2 936 118 117 PRO HD3 H 3.5100 0.0000 2 937 118 117 PRO CA C 63.9708 0.0000 1 938 118 117 PRO CB C 32.0704 0.0000 1 939 118 117 PRO CG C 27.7070 0.0000 1 940 118 117 PRO CD C 49.1800 0.0000 1 941 119 118 ASN H H 8.8779 0.0000 1 942 119 118 ASN HA H 4.0217 0.0000 1 943 119 118 ASN HB2 H 2.6700 0.0000 2 944 119 118 ASN HB3 H 3.1000 0.0000 2 945 119 118 ASN CA C 54.3923 0.0000 1 946 119 118 ASN CB C 36.9623 0.0000 1 947 119 118 ASN N N 118.8876 0.0000 1 948 120 119 THR H H 10.1979 0.0000 1 949 120 119 THR HA H 4.4534 0.0000 1 950 120 119 THR HB H 4.1750 0.0000 1 951 120 119 THR HG2 H 0.9180 0.0000 1 952 120 119 THR CA C 60.1872 0.0000 1 953 120 119 THR CB C 68.9186 0.0000 1 954 120 119 THR CG2 C 21.2090 0.0000 1 955 120 119 THR N N 110.2276 0.0000 1 956 121 120 ASN H H 7.2856 0.0000 1 957 121 120 ASN HA H 4.1890 0.0000 1 958 121 120 ASN HB2 H 0.8780 0.0000 2 959 121 120 ASN HB3 H 1.4780 0.0000 2 960 121 120 ASN CA C 55.8992 0.0000 1 961 121 120 ASN CB C 39.4169 0.0000 1 962 121 120 ASN N N 120.3249 0.0000 1 963 122 121 GLY H H 9.1082 0.0000 1 964 122 121 GLY HA2 H 3.6410 0.0000 2 965 122 121 GLY HA3 H 4.5790 0.0000 2 966 122 121 GLY CA C 45.6763 0.0000 1 967 122 121 GLY N N 111.0235 0.0000 1 968 123 122 SER H H 8.7809 0.0000 1 969 123 122 SER HA H 4.7309 0.0000 1 970 123 122 SER HB3 H 4.1761 0.0000 2 971 123 122 SER CA C 57.7248 0.0000 1 972 123 122 SER CB C 66.4828 0.0000 1 973 123 122 SER N N 117.4795 0.0000 1 974 124 123 GLN H H 8.3549 0.0000 1 975 124 123 GLN HA H 5.2640 0.0000 1 976 124 123 GLN HB3 H 2.1900 0.0000 2 977 124 123 GLN HG2 H 1.9230 0.0000 2 978 124 123 GLN HG3 H 2.4370 0.0000 2 979 124 123 GLN CA C 57.4969 0.0000 1 980 124 123 GLN CB C 32.4580 0.0000 1 981 124 123 GLN CG C 35.5190 0.0000 1 982 124 123 GLN N N 124.3208 0.0000 1 983 125 124 PHE H H 7.9122 0.0000 1 984 125 124 PHE HA H 5.6910 0.0000 1 985 125 124 PHE HB2 H 3.2600 0.0000 2 986 125 124 PHE HB3 H 3.3100 0.0000 2 987 125 124 PHE CA C 55.4773 0.0000 1 988 125 124 PHE CB C 43.3629 0.0000 1 989 125 124 PHE N N 117.8482 0.0000 1 990 126 125 PHE H H 9.8343 0.0000 1 991 126 125 PHE HA H 5.6233 0.0000 1 992 126 125 PHE HB2 H 2.8170 0.0000 2 993 126 125 PHE HB3 H 3.0680 0.0000 2 994 126 125 PHE HD2 H 6.8050 0.0000 3 995 126 125 PHE HE2 H 6.7247 0.0000 3 996 126 125 PHE CA C 54.1677 0.0000 1 997 126 125 PHE CB C 42.5622 0.0000 1 998 126 125 PHE CD2 C 130.9152 0.0000 2 999 126 125 PHE CE2 C 129.5787 0.0000 2 1000 126 125 PHE N N 116.6311 0.0000 1 1001 127 126 ILE H H 8.9695 0.0000 1 1002 127 126 ILE HA H 4.7900 0.0000 1 1003 127 126 ILE HB H 1.6170 0.0000 1 1004 127 126 ILE HG12 H 1.6800 0.0000 2 1005 127 126 ILE HG13 H 0.8670 0.0000 2 1006 127 126 ILE HG2 H 0.9971 0.0000 1 1007 127 126 ILE HD1 H 0.9545 0.0000 1 1008 127 126 ILE CA C 60.4487 0.0000 1 1009 127 126 ILE CB C 39.9592 0.0000 1 1010 127 126 ILE CG1 C 27.3220 0.0000 1 1011 127 126 ILE CG2 C 17.4428 0.0000 1 1012 127 126 ILE CD1 C 13.8824 0.0000 1 1013 127 126 ILE N N 118.4309 0.0000 1 1014 128 127 CYS H H 9.4442 0.0000 1 1015 128 127 CYS HA H 4.6800 0.0000 1 1016 128 127 CYS HB2 H 3.4590 0.0000 2 1017 128 127 CYS HB3 H 3.0860 0.0000 2 1018 128 127 CYS CA C 60.6533 0.0000 1 1019 128 127 CYS CB C 28.8528 0.0000 1 1020 128 127 CYS N N 125.6112 0.0000 1 1021 129 128 THR H H 8.9767 0.0000 1 1022 129 128 THR HA H 4.3208 0.0000 1 1023 129 128 THR HB H 4.4000 0.0000 1 1024 129 128 THR HG2 H 0.8380 0.0000 1 1025 129 128 THR CA C 60.9180 0.0000 1 1026 129 128 THR CB C 66.9052 0.0000 1 1027 129 128 THR CG2 C 23.2360 0.0000 1 1028 129 128 THR N N 115.1186 0.0000 1 1029 130 129 ALA H H 7.6349 0.0000 1 1030 130 129 ALA HA H 4.3700 0.0000 1 1031 130 129 ALA HB H 1.4058 0.0000 1 1032 130 129 ALA CA C 50.6211 0.0000 1 1033 130 129 ALA CB C 22.6828 0.0000 1 1034 130 129 ALA N N 123.0466 0.0000 1 1035 131 130 LYS H H 8.6875 0.0000 1 1036 131 130 LYS HA H 3.7900 0.0000 1 1037 131 130 LYS HB3 H 1.7100 0.0000 2 1038 131 130 LYS HG3 H 0.9600 0.0000 2 1039 131 130 LYS HD3 H 1.7560 0.0000 2 1040 131 130 LYS HE3 H 3.0290 0.0000 2 1041 131 130 LYS CA C 58.0805 0.0000 1 1042 131 130 LYS CB C 32.8732 0.0000 1 1043 131 130 LYS CG C 24.6010 0.0000 1 1044 131 130 LYS CD C 29.7130 0.0000 1 1045 131 130 LYS CE C 42.0730 0.0000 1 1046 131 130 LYS N N 120.1925 0.0000 1 1047 132 131 THR H H 7.3008 0.0000 1 1048 132 131 THR HA H 3.6786 0.0000 1 1049 132 131 THR HB H 2.8085 0.0000 1 1050 132 131 THR HG2 H 0.9760 0.0000 1 1051 132 131 THR CA C 57.1325 0.0000 1 1052 132 131 THR CB C 68.8502 0.0000 1 1053 132 131 THR CG2 C 19.8052 0.0000 1 1054 132 131 THR N N 118.9663 0.0000 1 1055 133 132 GLU H H 9.1832 0.0000 1 1056 133 132 GLU HA H 4.1169 0.0000 1 1057 133 132 GLU HB3 H 2.1700 0.0000 2 1058 133 132 GLU HG2 H 2.4200 0.0000 2 1059 133 132 GLU HG3 H 2.5300 0.0000 2 1060 133 132 GLU CA C 59.3070 0.0000 1 1061 133 132 GLU CB C 29.0489 0.0000 1 1062 133 132 GLU CG C 35.3880 0.0000 1 1063 133 132 GLU N N 124.9871 0.0000 1 1064 134 133 TRP H H 7.2670 0.0000 1 1065 134 133 TRP HA H 3.3983 0.0000 1 1066 134 133 TRP HB2 H 3.3800 0.0000 2 1067 134 133 TRP HB3 H 3.4200 0.0000 2 1068 134 133 TRP HD1 H 7.0367 0.0000 1 1069 134 133 TRP HE1 H 9.6838 0.0000 1 1070 134 133 TRP HZ2 H 7.1680 0.0000 1 1071 134 133 TRP HZ3 H 6.8080 0.0000 1 1072 134 133 TRP CA C 58.9023 0.0000 1 1073 134 133 TRP CB C 27.0727 0.0000 1 1074 134 133 TRP CD1 C 127.0698 0.0000 1 1075 134 133 TRP CZ2 C 114.7905 0.0000 1 1076 134 133 TRP CZ3 C 117.4071 0.0000 1 1077 134 133 TRP N N 117.7981 0.0000 1 1078 134 133 TRP NE1 N 130.1027 0.0000 1 1079 135 134 LEU H H 6.9936 0.0000 1 1080 135 134 LEU HA H 4.2180 0.0000 1 1081 135 134 LEU HB2 H 1.0420 0.0000 2 1082 135 134 LEU HB3 H 0.0590 0.0000 2 1083 135 134 LEU HG H 0.8430 0.0000 1 1084 135 134 LEU HD1 H 0.6341 0.0000 2 1085 135 134 LEU HD2 H 0.3761 0.0000 2 1086 135 134 LEU CA C 54.7942 0.0000 1 1087 135 134 LEU CB C 39.1442 0.0000 1 1088 135 134 LEU CD1 C 21.8588 0.0000 2 1089 135 134 LEU CD2 C 25.3428 0.0000 2 1090 135 134 LEU N N 119.7889 0.0000 1 1091 136 135 ASP H H 7.6304 0.0000 1 1092 136 135 ASP HA H 5.1354 0.0000 1 1093 136 135 ASP HB2 H 2.7300 0.0000 2 1094 136 135 ASP HB3 H 2.9540 0.0000 2 1095 136 135 ASP CA C 55.9136 0.0000 1 1096 136 135 ASP CB C 39.5940 0.0000 1 1097 136 135 ASP N N 122.2929 0.0000 1 1098 137 136 GLY H H 9.3157 0.0000 1 1099 137 136 GLY HA2 H 2.9020 0.0000 2 1100 137 136 GLY HA3 H 3.9240 0.0000 2 1101 137 136 GLY CA C 45.0614 0.0000 1 1102 137 136 GLY N N 110.6163 0.0000 1 1103 138 137 LYS H H 7.6499 0.0000 1 1104 138 137 LYS HA H 4.1383 0.0000 1 1105 138 137 LYS HB3 H 1.8670 0.0000 2 1106 138 137 LYS HG3 H 1.2600 0.0000 2 1107 138 137 LYS HD3 H 1.6780 0.0000 2 1108 138 137 LYS HE3 H 3.0110 0.0000 2 1109 138 137 LYS CA C 56.0828 0.0000 1 1110 138 137 LYS CB C 35.5637 0.0000 1 1111 138 137 LYS CG C 25.1690 0.0000 1 1112 138 137 LYS CD C 29.1340 0.0000 1 1113 138 137 LYS CE C 42.3460 0.0000 1 1114 138 137 LYS N N 114.9519 0.0000 1 1115 139 138 HIS H H 7.6104 0.0000 1 1116 139 138 HIS CA C 54.5938 0.0000 1 1117 139 138 HIS CB C 31.9531 0.0000 1 1118 139 138 HIS N N 119.0898 0.0000 1 1119 140 139 VAL H H 8.5198 0.0000 1 1120 140 139 VAL HA H 3.2900 0.0000 1 1121 140 139 VAL HB H 2.2700 0.0000 1 1122 140 139 VAL HG1 H 0.9966 0.0000 2 1123 140 139 VAL HG2 H 0.9700 0.0000 2 1124 140 139 VAL CA C 63.9452 0.0000 1 1125 140 139 VAL CB C 31.6200 0.0000 1 1126 140 139 VAL CG1 C 20.4904 0.0000 2 1127 140 139 VAL CG2 C 19.2000 0.0000 2 1128 140 139 VAL N N 125.4000 0.0000 1 1129 141 140 VAL H H 9.7540 0.0000 1 1130 141 140 VAL HA H 4.2700 0.0000 1 1131 141 140 VAL HB H 1.7500 0.0000 1 1132 141 140 VAL HG1 H 0.0718 0.0000 2 1133 141 140 VAL HG2 H 1.1699 0.0000 2 1134 141 140 VAL CA C 63.0065 0.0000 1 1135 141 140 VAL CB C 31.5190 0.0000 1 1136 141 140 VAL CG1 C 19.6817 0.0000 2 1137 141 140 VAL CG2 C 19.6296 0.0000 2 1138 141 140 VAL N N 133.1723 0.0000 1 1139 142 141 PHE H H 7.9947 0.0000 1 1140 142 141 PHE HA H 5.3810 0.0000 1 1141 142 141 PHE HB2 H 2.4810 0.0000 2 1142 142 141 PHE HB3 H 3.1312 0.0000 2 1143 142 141 PHE CA C 55.9646 0.0000 1 1144 142 141 PHE CB C 42.3861 0.0000 1 1145 142 141 PHE N N 120.2330 0.0000 1 1146 143 142 GLY H H 7.0796 0.0000 1 1147 143 142 GLY HA2 H 2.1190 0.0000 2 1148 143 142 GLY HA3 H 3.2130 0.0000 2 1149 143 142 GLY CA C 46.1120 0.0000 1 1150 143 142 GLY N N 111.9705 0.0000 1 1151 144 143 GLN H H 8.2790 0.0000 1 1152 144 143 GLN HA H 5.0038 0.0000 1 1153 144 143 GLN HB3 H 1.9900 0.0000 2 1154 144 143 GLN HG3 H 2.1830 0.0000 2 1155 144 143 GLN CA C 53.7557 0.0000 1 1156 144 143 GLN CB C 31.3529 0.0000 1 1157 144 143 GLN CG C 31.7150 0.0000 1 1158 144 143 GLN N N 113.9457 0.0000 1 1159 145 144 VAL H H 9.2517 0.0000 1 1160 145 144 VAL HA H 3.9395 0.0000 1 1161 145 144 VAL HB H 1.9710 0.0000 1 1162 145 144 VAL HG1 H 0.8872 0.0000 2 1163 145 144 VAL HG2 H 0.7179 0.0000 2 1164 145 144 VAL CA C 64.2118 0.0000 1 1165 145 144 VAL CB C 32.4815 0.0000 1 1166 145 144 VAL CG1 C 22.2168 0.0000 2 1167 145 144 VAL CG2 C 22.2696 0.0000 2 1168 145 144 VAL N N 124.8756 0.0000 1 1169 146 145 VAL H H 9.1476 0.0000 1 1170 146 145 VAL HA H 4.6040 0.0000 1 1171 146 145 VAL HB H 2.3030 0.0000 1 1172 146 145 VAL HG1 H 0.9918 0.0000 2 1173 146 145 VAL HG2 H 0.7686 0.0000 2 1174 146 145 VAL CA C 61.5601 0.0000 1 1175 146 145 VAL CB C 33.1301 0.0000 1 1176 146 145 VAL CG1 C 22.7876 0.0000 2 1177 146 145 VAL CG2 C 18.9077 0.0000 2 1178 146 145 VAL N N 121.6031 0.0000 1 1179 147 146 GLU H H 7.9275 0.0000 1 1180 147 146 GLU HA H 4.6862 0.0000 1 1181 147 146 GLU HB3 H 2.0040 0.0000 2 1182 147 146 GLU HG2 H 2.2040 0.0000 2 1183 147 146 GLU HG3 H 2.3540 0.0000 2 1184 147 146 GLU CA C 56.3874 0.0000 1 1185 147 146 GLU CB C 33.5044 0.0000 1 1186 147 146 GLU CG C 36.3270 0.0000 1 1187 147 146 GLU N N 120.8796 0.0000 1 1188 148 147 GLY H H 8.8376 0.0000 1 1189 148 147 GLY HA2 H 4.1050 0.0000 2 1190 148 147 GLY HA3 H 5.0132 0.0000 2 1191 148 147 GLY CA C 46.3712 0.0000 1 1192 148 147 GLY N N 109.7444 0.0000 1 1193 149 148 MET H H 8.9785 0.0000 1 1194 149 148 MET HA H 4.5776 0.0000 1 1195 149 148 MET HB3 H 2.0400 0.0000 2 1196 149 148 MET HG2 H 2.5580 0.0000 2 1197 149 148 MET HG3 H 2.7060 0.0000 2 1198 149 148 MET CA C 56.5646 0.0000 1 1199 149 148 MET CB C 29.3922 0.0000 1 1200 149 148 MET CG C 32.8940 0.0000 1 1201 149 148 MET N N 121.8617 0.0000 1 1202 150 149 ASP H H 9.2095 0.0000 1 1203 150 149 ASP HA H 4.3163 0.0000 1 1204 150 149 ASP HB2 H 2.7150 0.0000 2 1205 150 149 ASP HB3 H 2.6160 0.0000 2 1206 150 149 ASP CA C 57.0097 0.0000 1 1207 150 149 ASP CB C 39.0348 0.0000 1 1208 150 149 ASP N N 117.3010 0.0000 1 1209 151 150 VAL H H 7.6074 0.0000 1 1210 151 150 VAL HA H 3.6840 0.0000 1 1211 151 150 VAL HB H 2.4260 0.0000 1 1212 151 150 VAL HG1 H 1.0180 0.0000 2 1213 151 150 VAL HG2 H 0.6655 0.0000 2 1214 151 150 VAL CA C 65.5145 0.0000 1 1215 151 150 VAL CB C 31.1202 0.0000 1 1216 151 150 VAL CG1 C 21.1859 0.0000 2 1217 151 150 VAL CG2 C 20.3612 0.0000 2 1218 151 150 VAL N N 125.0688 0.0000 1 1219 152 151 VAL H H 7.3632 0.0000 1 1220 152 151 VAL HA H 3.4109 0.0000 1 1221 152 151 VAL HB H 2.5690 0.0000 1 1222 152 151 VAL HG1 H 1.1435 0.0000 2 1223 152 151 VAL HG2 H 0.8170 0.0000 2 1224 152 151 VAL CA C 67.1641 0.0000 1 1225 152 151 VAL CB C 30.8890 0.0000 1 1226 152 151 VAL CG1 C 23.4240 0.0000 2 1227 152 151 VAL CG2 C 22.3770 0.0000 2 1228 152 151 VAL N N 119.5882 0.0000 1 1229 153 152 LYS H H 8.2787 0.0000 1 1230 153 152 LYS HA H 4.1981 0.0000 1 1231 153 152 LYS HB2 H 1.8600 0.0000 2 1232 153 152 LYS HB3 H 1.9600 0.0000 2 1233 153 152 LYS HG2 H 1.5700 0.0000 2 1234 153 152 LYS HG3 H 1.6700 0.0000 2 1235 153 152 LYS HD2 H 1.7600 0.0000 2 1236 153 152 LYS HD3 H 1.6300 0.0000 2 1237 153 152 LYS HE2 H 2.8900 0.0000 2 1238 153 152 LYS HE3 H 2.9700 0.0000 2 1239 153 152 LYS CA C 58.6286 0.0000 1 1240 153 152 LYS CB C 31.0893 0.0000 1 1241 153 152 LYS CG C 24.7730 0.0000 1 1242 153 152 LYS CD C 27.6380 0.0000 1 1243 153 152 LYS CE C 41.7000 0.0000 1 1244 153 152 LYS N N 117.6617 0.0000 1 1245 154 153 ALA H H 7.6644 0.0000 1 1246 154 153 ALA HA H 4.1300 0.0000 1 1247 154 153 ALA HB H 1.5770 0.0000 1 1248 154 153 ALA CA C 55.3458 0.0000 1 1249 154 153 ALA CB C 17.5689 0.0000 1 1250 154 153 ALA N N 123.3149 0.0000 1 1251 155 154 ILE H H 7.9889 0.0000 1 1252 155 154 ILE HA H 3.5205 0.0000 1 1253 155 154 ILE HB H 2.2160 0.0000 1 1254 155 154 ILE HG12 H 1.8600 0.0000 2 1255 155 154 ILE HG13 H 0.6970 0.0000 2 1256 155 154 ILE HG2 H 0.9480 0.0000 1 1257 155 154 ILE HD1 H 0.5282 0.0000 1 1258 155 154 ILE CA C 65.1904 0.0000 1 1259 155 154 ILE CB C 37.9821 0.0000 1 1260 155 154 ILE CG1 C 28.6440 0.0000 1 1261 155 154 ILE CG2 C 18.6010 0.0000 1 1262 155 154 ILE CD1 C 15.3610 0.0000 1 1263 155 154 ILE N N 120.3707 0.0000 1 1264 156 155 GLU H H 8.4229 0.0000 1 1265 156 155 GLU HA H 3.5841 0.0000 1 1266 156 155 GLU HB3 H 2.0900 0.0000 2 1267 156 155 GLU HG2 H 2.0900 0.0000 2 1268 156 155 GLU HG3 H 2.3300 0.0000 2 1269 156 155 GLU CA C 59.6250 0.0000 1 1270 156 155 GLU CB C 30.9220 0.0000 1 1271 156 155 GLU CG C 37.8070 0.0000 1 1272 156 155 GLU N N 119.3665 0.0000 1 1273 157 156 LYS H H 7.3104 0.0000 1 1274 157 156 LYS HA H 4.1050 0.0000 1 1275 157 156 LYS HB3 H 1.9910 0.0000 2 1276 157 156 LYS HG3 H 1.5770 0.0000 2 1277 157 156 LYS HD3 H 1.7350 0.0000 2 1278 157 156 LYS HE3 H 2.9910 0.0000 2 1279 157 156 LYS CA C 58.3830 0.0000 1 1280 157 156 LYS CB C 32.7906 0.0000 1 1281 157 156 LYS CG C 25.4000 0.0000 1 1282 157 156 LYS CD C 29.1010 0.0000 1 1283 157 156 LYS CE C 42.1240 0.0000 1 1284 157 156 LYS N N 114.0108 0.0000 1 1285 158 157 VAL H H 7.7701 0.0000 1 1286 158 157 VAL HA H 4.8408 0.0000 1 1287 158 157 VAL HB H 2.5560 0.0000 1 1288 158 157 VAL HG1 H 1.1323 0.0000 2 1289 158 157 VAL HG2 H 0.9470 0.0000 2 1290 158 157 VAL CA C 60.3245 0.0000 1 1291 158 157 VAL CB C 31.7204 0.0000 1 1292 158 157 VAL CG1 C 19.0915 0.0000 2 1293 158 157 VAL CG2 C 21.2860 0.0000 2 1294 158 157 VAL N N 109.6808 0.0000 1 1295 159 158 GLY H H 7.6702 0.0000 1 1296 159 158 GLY HA2 H 3.5930 0.0000 2 1297 159 158 GLY HA3 H 4.5130 0.0000 2 1298 159 158 GLY CA C 44.3307 0.0000 1 1299 159 158 GLY N N 107.4579 0.0000 1 1300 160 159 SER H H 8.1572 0.0000 1 1301 160 159 SER HA H 4.8250 0.0000 1 1302 160 159 SER HB3 H 4.1760 0.0000 2 1303 160 159 SER CA C 57.9994 0.0000 1 1304 160 159 SER CB C 66.4990 0.0000 1 1305 160 159 SER N N 109.6880 0.0000 1 1306 161 160 SER H H 9.2356 0.0000 1 1307 161 160 SER HA H 4.3070 0.0000 1 1308 161 160 SER HB3 H 4.0000 0.0000 2 1309 161 160 SER CA C 62.0538 0.0000 1 1310 161 160 SER CB C 62.5900 0.0000 1 1311 161 160 SER N N 117.2536 0.0000 1 1312 162 161 SER H H 7.9836 0.0000 1 1313 162 161 SER HA H 4.4601 0.0000 1 1314 162 161 SER HB3 H 3.9900 0.0000 2 1315 162 161 SER CA C 59.1093 0.0000 1 1316 162 161 SER CB C 64.5083 0.0000 1 1317 162 161 SER N N 112.9209 0.0000 1 1318 163 162 GLY H H 8.1336 0.0000 1 1319 163 162 GLY HA2 H 3.8890 0.0000 2 1320 163 162 GLY HA3 H 4.2220 0.0000 2 1321 163 162 GLY CA C 44.6533 0.0000 1 1322 163 162 GLY N N 113.3979 0.0000 1 1323 164 163 ARG H H 7.3474 0.0000 1 1324 164 163 ARG HA H 4.4000 0.0000 1 1325 164 163 ARG HB3 H 1.7260 0.0000 2 1326 164 163 ARG HG3 H 1.6060 0.0000 2 1327 164 163 ARG HD3 H 3.2310 0.0000 2 1328 164 163 ARG CA C 56.8423 0.0000 1 1329 164 163 ARG CB C 30.5588 0.0000 1 1330 164 163 ARG CG C 27.2876 0.0000 1 1331 164 163 ARG CD C 43.2651 0.0000 1 1332 164 163 ARG N N 119.5596 0.0000 1 1333 165 164 THR H H 8.7515 0.0000 1 1334 165 164 THR HA H 5.1323 0.0000 1 1335 165 164 THR HB H 4.5700 0.0000 1 1336 165 164 THR HG2 H 1.2649 0.0000 1 1337 165 164 THR CA C 59.4913 0.0000 1 1338 165 164 THR CB C 70.6524 0.0000 1 1339 165 164 THR CG2 C 22.4814 0.0000 1 1340 165 164 THR N N 115.7153 0.0000 1 1341 166 165 ALA H H 9.4258 0.0000 1 1342 166 165 ALA HA H 4.2400 0.0000 1 1343 166 165 ALA HB H 1.5378 0.0000 1 1344 166 165 ALA CA C 53.4636 0.0000 1 1345 166 165 ALA CB C 19.7764 0.0000 1 1346 166 165 ALA N N 125.1379 0.0000 1 1347 167 166 LYS H H 7.2666 0.0000 1 1348 167 166 LYS HA H 4.5037 0.0000 1 1349 167 166 LYS HB3 H 1.6830 0.0000 2 1350 167 166 LYS HG3 H 1.4020 0.0000 2 1351 167 166 LYS HD3 H 1.5460 0.0000 2 1352 167 166 LYS HE3 H 2.9790 0.0000 2 1353 167 166 LYS CA C 53.3983 0.0000 1 1354 167 166 LYS CB C 38.5600 0.0000 1 1355 167 166 LYS CG C 25.2030 0.0000 1 1356 167 166 LYS CD C 29.9270 0.0000 1 1357 167 166 LYS CE C 42.3080 0.0000 1 1358 167 166 LYS N N 112.6068 0.0000 1 1359 168 167 LYS H H 8.7134 0.0000 1 1360 168 167 LYS HA H 4.0610 0.0000 1 1361 168 167 LYS HB3 H 1.6530 0.0000 2 1362 168 167 LYS HG3 H 1.3208 0.0000 2 1363 168 167 LYS HD3 H 1.4940 0.0000 2 1364 168 167 LYS HE3 H 2.9010 0.0000 2 1365 168 167 LYS CA C 57.8553 0.0000 1 1366 168 167 LYS CB C 32.9985 0.0000 1 1367 168 167 LYS CG C 25.2033 0.0000 1 1368 168 167 LYS CD C 29.1900 0.0000 1 1369 168 167 LYS CE C 41.9990 0.0000 1 1370 168 167 LYS N N 120.5133 0.0000 1 1371 169 168 VAL H H 9.3005 0.0000 1 1372 169 168 VAL HA H 4.8840 0.0000 1 1373 169 168 VAL HB H 2.3370 0.0000 1 1374 169 168 VAL HG1 H 1.1549 0.0000 2 1375 169 168 VAL HG2 H 0.6245 0.0000 2 1376 169 168 VAL CA C 62.0934 0.0000 1 1377 169 168 VAL CB C 33.1658 0.0000 1 1378 169 168 VAL CG1 C 21.2596 0.0000 2 1379 169 168 VAL CG2 C 23.4057 0.0000 2 1380 169 168 VAL N N 132.7426 0.0000 1 1381 170 169 VAL H H 8.4980 0.0000 1 1382 170 169 VAL HA H 4.5270 0.0000 1 1383 170 169 VAL HB H 1.8350 0.0000 1 1384 170 169 VAL HG1 H 0.5750 0.0000 2 1385 170 169 VAL HG2 H 0.7180 0.0000 2 1386 170 169 VAL CA C 61.3890 0.0000 1 1387 170 169 VAL CB C 36.6107 0.0000 1 1388 170 169 VAL CG1 C 20.7631 0.0000 2 1389 170 169 VAL CG2 C 22.2700 0.0000 2 1390 170 169 VAL N N 127.0428 0.0000 1 1391 171 170 VAL H H 8.6543 0.0000 1 1392 171 170 VAL HA H 4.1500 0.0000 1 1393 171 170 VAL HB H 2.0580 0.0000 1 1394 171 170 VAL HG1 H 0.2474 0.0000 2 1395 171 170 VAL HG2 H 0.1893 0.0000 2 1396 171 170 VAL CA C 61.3417 0.0000 1 1397 171 170 VAL CB C 29.8763 0.0000 1 1398 171 170 VAL CG1 C 20.4226 0.0000 2 1399 171 170 VAL CG2 C 22.0351 0.0000 2 1400 171 170 VAL N N 127.0303 0.0000 1 1401 172 171 GLU H H 8.7985 0.0000 1 1402 172 171 GLU HA H 4.1296 0.0000 1 1403 172 171 GLU HB3 H 2.1000 0.0000 2 1404 172 171 GLU HG3 H 2.2630 0.0000 2 1405 172 171 GLU CA C 57.8898 0.0000 1 1406 172 171 GLU CB C 29.5943 0.0000 1 1407 172 171 GLU CG C 34.4270 0.0000 1 1408 172 171 GLU N N 131.3387 0.0000 1 1409 173 172 ASP H H 8.1340 0.0000 1 1410 173 172 ASP HA H 4.8690 0.0000 1 1411 173 172 ASP HB2 H 2.9800 0.0000 2 1412 173 172 ASP HB3 H 2.8360 0.0000 2 1413 173 172 ASP CA C 52.9274 0.0000 1 1414 173 172 ASP CB C 43.9127 0.0000 1 1415 173 172 ASP N N 112.1118 0.0000 1 1416 174 173 CYS H H 8.8185 0.0000 1 1417 174 173 CYS HA H 4.7094 0.0000 1 1418 174 173 CYS HB2 H 3.2550 0.0000 2 1419 174 173 CYS HB3 H 3.0570 0.0000 2 1420 174 173 CYS CA C 55.2625 0.0000 1 1421 174 173 CYS CB C 31.5511 0.0000 1 1422 174 173 CYS N N 115.5696 0.0000 1 1423 175 174 GLY H H 6.7574 0.0000 1 1424 175 174 GLY HA2 H 3.5020 0.0000 2 1425 175 174 GLY HA3 H 3.9480 0.0000 2 1426 175 174 GLY CA C 45.5244 0.0000 1 1427 175 174 GLY N N 103.4851 0.0000 1 1428 176 175 GLN H H 9.1494 0.0000 1 1429 176 175 GLN HA H 5.0440 0.0000 1 1430 176 175 GLN HG2 H 2.5280 0.0000 2 1431 176 175 GLN HG3 H 2.6040 0.0000 2 1432 176 175 GLN CA C 54.8648 0.0000 1 1433 176 175 GLN CB C 30.6866 0.0000 1 1434 176 175 GLN CG C 32.9870 0.0000 1 1435 176 175 GLN N N 121.0048 0.0000 1 1436 177 176 LEU H H 9.0928 0.0000 1 1437 177 176 LEU HA H 4.5790 0.0000 1 1438 177 176 LEU HB2 H 1.6446 0.0000 2 1439 177 176 LEU HB3 H 1.5980 0.0000 2 1440 177 176 LEU HG H 1.6430 0.0000 1 1441 177 176 LEU HD1 H 0.7408 0.0000 2 1442 177 176 LEU HD2 H 0.8326 0.0000 2 1443 177 176 LEU CA C 55.4030 0.0000 1 1444 177 176 LEU CB C 43.8720 0.0000 1 1445 177 176 LEU CG C 26.6510 0.0000 1 1446 177 176 LEU CD1 C 23.4581 0.0000 2 1447 177 176 LEU CD2 C 23.3168 0.0000 2 1448 177 176 LEU N N 127.0980 0.0000 1 1449 178 177 SER H H 8.2381 0.0000 1 1450 178 177 SER HA H 4.2700 0.0000 1 1451 178 177 SER HB3 H 3.9000 0.0000 2 1452 178 177 SER CA C 60.2978 0.0000 1 1453 178 177 SER CB C 64.2031 0.0000 1 1454 178 177 SER N N 120.7075 0.0000 1 stop_ save_