data_16183 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Tammar Wallaby Prion Protein (121-230) ; _BMRB_accession_number 16183 _BMRB_flat_file_name bmr16183.str _Entry_type original _Submission_date 2009-02-24 _Accession_date 2009-02-24 _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 Christen Barbara . . 2 Hornemann Simone . . 3 Damberger Fred F. . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 680 "13C chemical shifts" 473 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-18 update BMRB 'update entry citation' 2010-05-27 update BMRB 'edit entity/assembly name' 2009-05-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Prion protein NMR structure from tammar wallaby (Macropus eugenii) shows that the beta2-alpha2 loop is modulated by long-range sequence effects.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19393664 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christen Barbara . . 2 Hornemann Simone . . 3 Damberger Fred F. . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 389 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 833 _Page_last 845 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tammar Wallaby Prion Protein (121-230)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label wpp_121-230 $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 wpp_121-230 _Molecular_mass 13167.715 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPV MHFGNEYEDRYYRENQYRYP NQVMYRPIDQYGSQNSFVHD CVNITVKQHTTTTTTKGENF TETDIKIMERVVEQMCITQY QNEYQAAQRYYN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 VAL 4 VAL 5 GLY 6 GLY 7 LEU 8 GLY 9 GLY 10 TYR 11 MET 12 LEU 13 GLY 14 SER 15 ALA 16 MET 17 SER 18 ARG 19 PRO 20 VAL 21 MET 22 HIS 23 PHE 24 GLY 25 ASN 26 GLU 27 TYR 28 GLU 29 ASP 30 ARG 31 TYR 32 TYR 33 ARG 34 GLU 35 ASN 36 GLN 37 TYR 38 ARG 39 TYR 40 PRO 41 ASN 42 GLN 43 VAL 44 MET 45 TYR 46 ARG 47 PRO 48 ILE 49 ASP 50 GLN 51 TYR 52 GLY 53 SER 54 GLN 55 ASN 56 SER 57 PHE 58 VAL 59 HIS 60 ASP 61 CYS 62 VAL 63 ASN 64 ILE 65 THR 66 VAL 67 LYS 68 GLN 69 HIS 70 THR 71 THR 72 THR 73 THR 74 THR 75 THR 76 LYS 77 GLY 78 GLU 79 ASN 80 PHE 81 THR 82 GLU 83 THR 84 ASP 85 ILE 86 LYS 87 ILE 88 MET 89 GLU 90 ARG 91 VAL 92 VAL 93 GLU 94 GLN 95 MET 96 CYS 97 ILE 98 THR 99 GLN 100 TYR 101 GLN 102 ASN 103 GLU 104 TYR 105 GLN 106 ALA 107 ALA 108 GLN 109 ARG 110 TYR 111 TYR 112 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2KFL "Tammar Wallaby Prion Protein (121-230)" 100.00 112 100.00 100.00 2.48e-76 GB AAT68001 "prion protein PrP [Macropus eugenii]" 100.00 260 99.11 100.00 6.18e-76 GB AAT68002 "prion protein PrP [Macropus eugenii]" 100.00 260 99.11 100.00 6.18e-76 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 'tammar wallaby' 9315 Eukaryota Metazoa Macropus Eugenii 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 . pRSETA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'The sample additionally contains a protease inhibitor cocktail.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium acetate' 10 mM '[U-100% 2H]' $entity 1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ATNOS_CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.0.3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_H(CCCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH' _Sample_label $sample_1 save_ save_3D_(H)C(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CCO)NH' _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' 0.01 . M pH 4.5 . pH pressure 1 . atm temperature 293.1 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCA' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-COSY' '3D H(CCCO)NH' '3D (H)C(CCO)NH' 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 wpp_121-230 _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 1 119 1 GLY HA2 H 3.920 0.020 1 2 119 1 GLY HA3 H 3.920 0.020 1 3 119 1 GLY C C 167.615 0.3 1 4 119 1 GLY CA C 43.303 0.3 1 5 120 2 SER H H 8.696 0.020 1 6 120 2 SER HA H 4.622 0.020 1 7 120 2 SER HB2 H 3.851 0.020 1 8 120 2 SER HB3 H 3.851 0.020 1 9 120 2 SER C C 171.760 0.3 1 10 120 2 SER CA C 57.953 0.3 1 11 120 2 SER CB C 64.075 0.3 1 12 120 2 SER N N 115.820 0.3 1 13 121 3 VAL H H 8.428 0.020 1 14 121 3 VAL HA H 4.200 0.020 1 15 121 3 VAL HB H 2.058 0.020 1 16 121 3 VAL HG1 H 0.933 0.020 2 17 121 3 VAL HG2 H 0.902 0.020 2 18 121 3 VAL C C 173.875 0.3 1 19 121 3 VAL CA C 62.308 0.3 1 20 121 3 VAL CB C 32.727 0.3 1 21 121 3 VAL CG1 C 20.593 0.3 1 22 121 3 VAL CG2 C 21.094 0.3 1 23 121 3 VAL N N 122.388 0.3 1 24 122 4 VAL H H 8.369 0.020 1 25 122 4 VAL HA H 4.096 0.020 1 26 122 4 VAL HB H 2.022 0.020 1 27 122 4 VAL HG1 H 0.936 0.020 2 28 122 4 VAL HG2 H 0.900 0.020 2 29 122 4 VAL C C 174.194 0.3 1 30 122 4 VAL CA C 62.468 0.3 1 31 122 4 VAL CB C 32.526 0.3 1 32 122 4 VAL CG1 C 20.880 0.3 1 33 122 4 VAL CG2 C 21.112 0.3 1 34 122 4 VAL N N 125.447 0.3 1 35 123 5 GLY H H 8.610 0.020 1 36 123 5 GLY HA2 H 3.961 0.020 1 37 123 5 GLY HA3 H 3.961 0.020 1 38 123 5 GLY C C 172.148 0.3 1 39 123 5 GLY CA C 45.182 0.3 1 40 123 5 GLY N N 113.578 0.3 1 41 124 6 GLY H H 8.301 0.020 1 42 124 6 GLY HA2 H 3.970 0.020 1 43 124 6 GLY HA3 H 3.970 0.020 1 44 124 6 GLY C C 171.895 0.3 1 45 124 6 GLY CA C 45.206 0.3 1 46 124 6 GLY N N 108.642 0.3 1 47 125 7 LEU H H 8.292 0.020 1 48 125 7 LEU HA H 4.394 0.020 1 49 125 7 LEU HB2 H 1.628 0.020 1 50 125 7 LEU HB3 H 1.628 0.020 1 51 125 7 LEU HD1 H 0.878 0.020 2 52 125 7 LEU HD2 H 0.814 0.020 2 53 125 7 LEU HG H 1.607 0.020 1 54 125 7 LEU C C 175.763 0.3 1 55 125 7 LEU CA C 55.103 0.3 1 56 125 7 LEU CB C 42.279 0.3 1 57 125 7 LEU CD1 C 24.903 0.3 1 58 125 7 LEU CD2 C 23.531 0.3 1 59 125 7 LEU CG C 26.997 0.3 1 60 125 7 LEU N N 121.732 0.3 1 61 126 8 GLY H H 8.586 0.020 1 62 126 8 GLY HA2 H 3.894 0.020 1 63 126 8 GLY C C 172.241 0.3 1 64 126 8 GLY CA C 45.931 0.3 1 65 126 8 GLY N N 109.878 0.3 1 66 127 9 GLY H H 8.274 0.020 1 67 127 9 GLY HA2 H 3.886 0.020 1 68 127 9 GLY C C 171.416 0.3 1 69 127 9 GLY CA C 44.977 0.3 1 70 127 9 GLY N N 108.423 0.3 1 71 128 10 TYR H H 7.671 0.020 1 72 128 10 TYR HA H 4.448 0.020 1 73 128 10 TYR HB2 H 2.802 0.020 2 74 128 10 TYR HB3 H 2.778 0.020 2 75 128 10 TYR HD1 H 6.879 0.020 1 76 128 10 TYR HD2 H 6.879 0.020 1 77 128 10 TYR HE1 H 6.686 0.020 1 78 128 10 TYR HE2 H 6.686 0.020 1 79 128 10 TYR C C 172.932 0.3 1 80 128 10 TYR CA C 57.811 0.3 1 81 128 10 TYR CB C 39.875 0.3 1 82 128 10 TYR CD1 C 132.872 0.3 1 83 128 10 TYR CE1 C 118.145 0.3 1 84 128 10 TYR N N 117.811 0.3 1 85 129 11 MET H H 9.060 0.020 1 86 129 11 MET HA H 4.495 0.020 1 87 129 11 MET HB2 H 0.912 0.020 2 88 129 11 MET HB3 H 1.536 0.020 2 89 129 11 MET HE H 1.987 0.020 1 90 129 11 MET HG2 H 2.224 0.020 1 91 129 11 MET HG3 H 2.224 0.020 1 92 129 11 MET C C 171.071 0.3 1 93 129 11 MET CA C 53.653 0.3 1 94 129 11 MET CB C 34.100 0.3 1 95 129 11 MET CE C 17.057 0.3 1 96 129 11 MET CG C 31.815 0.3 1 97 129 11 MET N N 120.669 0.3 1 98 130 12 LEU H H 8.253 0.020 1 99 130 12 LEU HA H 4.965 0.020 1 100 130 12 LEU HB2 H 1.324 0.020 2 101 130 12 LEU HB3 H 1.758 0.020 2 102 130 12 LEU HD1 H 0.862 0.020 2 103 130 12 LEU HD2 H 0.855 0.020 2 104 130 12 LEU HG H 1.692 0.020 1 105 130 12 LEU C C 175.736 0.3 1 106 130 12 LEU CA C 53.482 0.3 1 107 130 12 LEU CB C 44.133 0.3 1 108 130 12 LEU CD1 C 25.576 0.3 1 109 130 12 LEU CD2 C 24.333 0.3 1 110 130 12 LEU CG C 26.745 0.3 1 111 130 12 LEU N N 121.036 0.3 1 112 131 13 GLY H H 9.462 0.020 1 113 131 13 GLY HA2 H 4.473 0.020 1 114 131 13 GLY C C 170.632 0.3 1 115 131 13 GLY CA C 44.912 0.3 1 116 131 13 GLY N N 114.181 0.3 1 117 132 14 SER H H 8.370 0.020 1 118 132 14 SER HA H 4.454 0.020 1 119 132 14 SER HB2 H 3.913 0.020 2 120 132 14 SER HB3 H 4.000 0.020 2 121 132 14 SER C C 172.214 0.3 1 122 132 14 SER CA C 58.585 0.3 1 123 132 14 SER CB C 63.919 0.3 1 124 132 14 SER N N 114.134 0.3 1 125 133 15 ALA H H 8.727 0.020 1 126 133 15 ALA HA H 4.400 0.020 1 127 133 15 ALA HB H 1.302 0.020 1 128 133 15 ALA C C 175.125 0.3 1 129 133 15 ALA CA C 52.913 0.3 1 130 133 15 ALA CB C 18.256 0.3 1 131 133 15 ALA N N 125.401 0.3 1 132 134 16 MET H H 8.843 0.020 1 133 134 16 MET HA H 4.771 0.020 1 134 134 16 MET HB2 H 2.116 0.020 2 135 134 16 MET HB3 H 1.979 0.020 2 136 134 16 MET HE H 2.215 0.020 1 137 134 16 MET HG2 H 2.560 0.020 2 138 134 16 MET HG3 H 2.461 0.020 2 139 134 16 MET C C 173.344 0.3 1 140 134 16 MET CA C 53.986 0.3 1 141 134 16 MET CB C 36.484 0.3 1 142 134 16 MET CE C 17.245 0.3 1 143 134 16 MET CG C 30.987 0.3 1 144 134 16 MET N N 121.562 0.3 1 145 135 17 SER H H 8.476 0.020 1 146 135 17 SER HA H 4.366 0.020 1 147 135 17 SER HB2 H 3.864 0.020 2 148 135 17 SER HB3 H 3.760 0.020 2 149 135 17 SER C C 172.028 0.3 1 150 135 17 SER CA C 58.593 0.3 1 151 135 17 SER CB C 63.165 0.3 1 152 135 17 SER N N 116.462 0.3 1 153 136 18 ARG H H 8.770 0.020 1 154 136 18 ARG HA H 4.409 0.020 1 155 136 18 ARG HB2 H 1.895 0.020 2 156 136 18 ARG HB3 H 1.683 0.020 2 157 136 18 ARG HD2 H 3.175 0.020 2 158 136 18 ARG HD3 H 3.105 0.020 2 159 136 18 ARG HE H 6.845 0.020 1 160 136 18 ARG HG2 H 1.880 0.020 2 161 136 18 ARG HG3 H 1.741 0.020 2 162 136 18 ARG C C 172.871 0.3 1 163 136 18 ARG CA C 55.071 0.3 1 164 136 18 ARG CB C 28.316 0.3 1 165 136 18 ARG CD C 43.614 0.3 1 166 136 18 ARG CG C 28.922 0.3 1 167 136 18 ARG N N 125.858 0.3 1 168 136 18 ARG NE N 85.600 0.3 1 169 137 19 PRO HA H 4.393 0.020 1 170 137 19 PRO HB2 H 1.761 0.020 2 171 137 19 PRO HB3 H 2.232 0.020 2 172 137 19 PRO HD2 H 3.605 0.020 2 173 137 19 PRO HD3 H 3.843 0.020 2 174 137 19 PRO HG2 H 2.009 0.020 2 175 137 19 PRO HG3 H 1.995 0.020 2 176 137 19 PRO C C 174.434 0.3 1 177 137 19 PRO CA C 62.461 0.3 1 178 137 19 PRO CB C 32.090 0.3 1 179 137 19 PRO CD C 50.506 0.3 1 180 137 19 PRO CG C 27.664 0.3 1 181 138 20 VAL H H 8.605 0.020 1 182 138 20 VAL HA H 3.999 0.020 1 183 138 20 VAL HB H 1.935 0.020 1 184 138 20 VAL HG1 H 1.026 0.020 2 185 138 20 VAL HG2 H 0.810 0.020 2 186 138 20 VAL C C 173.317 0.3 1 187 138 20 VAL CA C 63.203 0.3 1 188 138 20 VAL CB C 31.157 0.3 1 189 138 20 VAL CG1 C 21.205 0.3 1 190 138 20 VAL CG2 C 20.890 0.3 1 191 138 20 VAL N N 124.080 0.3 1 192 139 21 MET H H 8.084 0.020 1 193 139 21 MET HA H 4.530 0.020 1 194 139 21 MET HB2 H 1.292 0.020 2 195 139 21 MET HB3 H 1.273 0.020 2 196 139 21 MET HE H 1.458 0.020 1 197 139 21 MET HG2 H 0.887 0.020 2 198 139 21 MET HG3 H 0.869 0.020 2 199 139 21 MET C C 172.148 0.3 1 200 139 21 MET CA C 52.512 0.3 1 201 139 21 MET CB C 34.309 0.3 1 202 139 21 MET CE C 15.773 0.3 1 203 139 21 MET CG C 34.258 0.3 1 204 139 21 MET N N 125.295 0.3 1 205 140 22 HIS H H 8.307 0.020 1 206 140 22 HIS HA H 4.912 0.020 1 207 140 22 HIS HB2 H 3.241 0.020 2 208 140 22 HIS HB3 H 2.954 0.020 2 209 140 22 HIS HD2 H 7.220 0.020 1 210 140 22 HIS HE1 H 8.535 0.020 1 211 140 22 HIS C C 172.214 0.3 1 212 140 22 HIS CA C 54.205 0.3 1 213 140 22 HIS CB C 29.285 0.3 1 214 140 22 HIS CD2 C 119.925 0.3 1 215 140 22 HIS CE1 C 136.018 0.3 1 216 140 22 HIS N N 119.015 0.3 1 217 141 23 PHE H H 10.475 0.020 1 218 141 23 PHE HA H 4.337 0.020 1 219 141 23 PHE HB2 H 3.360 0.020 2 220 141 23 PHE HB3 H 2.842 0.020 2 221 141 23 PHE HD1 H 7.396 0.020 1 222 141 23 PHE HD2 H 7.396 0.020 1 223 141 23 PHE HE1 H 6.872 0.020 1 224 141 23 PHE HE2 H 6.872 0.020 1 225 141 23 PHE HZ H 6.566 0.020 1 226 141 23 PHE C C 174.660 0.3 1 227 141 23 PHE CA C 59.602 0.3 1 228 141 23 PHE CB C 40.038 0.3 1 229 141 23 PHE CD1 C 131.997 0.3 1 230 141 23 PHE CE1 C 130.670 0.3 1 231 141 23 PHE CZ C 128.624 0.3 1 232 141 23 PHE N N 124.031 0.3 1 233 142 24 GLY H H 9.258 0.020 1 234 142 24 GLY HA2 H 4.170 0.020 1 235 142 24 GLY C C 170.832 0.3 1 236 142 24 GLY CA C 45.583 0.3 1 237 142 24 GLY N N 109.341 0.3 1 238 143 25 ASN H H 7.219 0.020 1 239 143 25 ASN HA H 4.833 0.020 1 240 143 25 ASN HB2 H 2.834 0.020 2 241 143 25 ASN HB3 H 2.820 0.020 2 242 143 25 ASN HD21 H 7.612 0.020 1 243 143 25 ASN HD22 H 7.431 0.020 1 244 143 25 ASN C C 171.616 0.3 1 245 143 25 ASN CA C 52.634 0.3 1 246 143 25 ASN CB C 41.578 0.3 1 247 143 25 ASN N N 114.405 0.3 1 248 143 25 ASN ND2 N 115.986 0.3 1 249 144 26 GLU H H 9.070 0.020 1 250 144 26 GLU HA H 4.191 0.020 1 251 144 26 GLU HB2 H 2.139 0.020 2 252 144 26 GLU HB3 H 2.088 0.020 2 253 144 26 GLU HG2 H 2.437 0.020 2 254 144 26 GLU HG3 H 2.392 0.020 2 255 144 26 GLU C C 175.489 0.3 1 256 144 26 GLU CA C 59.433 0.3 1 257 144 26 GLU CB C 29.350 0.3 1 258 144 26 GLU CG C 35.340 0.3 1 259 144 26 GLU N N 124.188 0.3 1 260 145 27 TYR H H 8.384 0.020 1 261 145 27 TYR HA H 4.214 0.020 1 262 145 27 TYR HB2 H 3.238 0.020 2 263 145 27 TYR HB3 H 3.074 0.020 2 264 145 27 TYR HD1 H 7.080 0.020 1 265 145 27 TYR HD2 H 7.080 0.020 1 266 145 27 TYR HE1 H 6.725 0.020 1 267 145 27 TYR HE2 H 6.725 0.020 1 268 145 27 TYR C C 175.723 0.3 1 269 145 27 TYR CA C 61.651 0.3 1 270 145 27 TYR CB C 37.565 0.3 1 271 145 27 TYR CD1 C 133.212 0.3 1 272 145 27 TYR CE1 C 117.970 0.3 1 273 145 27 TYR N N 120.106 0.3 1 274 146 28 GLU H H 8.416 0.020 1 275 146 28 GLU HA H 3.579 0.020 1 276 146 28 GLU HB2 H 1.915 0.020 2 277 146 28 GLU HB3 H 1.418 0.020 2 278 146 28 GLU HG2 H 2.497 0.020 2 279 146 28 GLU HG3 H 1.829 0.020 2 280 146 28 GLU C C 175.487 0.3 1 281 146 28 GLU CA C 59.561 0.3 1 282 146 28 GLU CB C 29.205 0.3 1 283 146 28 GLU CG C 36.613 0.3 1 284 146 28 GLU N N 119.461 0.3 1 285 147 29 ASP H H 8.065 0.020 1 286 147 29 ASP HA H 4.666 0.020 1 287 147 29 ASP HB2 H 2.934 0.020 2 288 147 29 ASP HB3 H 2.813 0.020 2 289 147 29 ASP C C 176.773 0.3 1 290 147 29 ASP CA C 58.427 0.3 1 291 147 29 ASP CB C 40.499 0.3 1 292 147 29 ASP N N 118.616 0.3 1 293 148 30 ARG H H 8.227 0.020 1 294 148 30 ARG HA H 3.991 0.020 1 295 148 30 ARG HB2 H 1.950 0.020 2 296 148 30 ARG HB3 H 1.933 0.020 2 297 148 30 ARG HD2 H 3.220 0.020 2 298 148 30 ARG HD3 H 3.203 0.020 2 299 148 30 ARG HE H 7.551 0.020 1 300 148 30 ARG HG2 H 1.703 0.020 2 301 148 30 ARG HG3 H 1.517 0.020 2 302 148 30 ARG C C 175.009 0.3 1 303 148 30 ARG CA C 59.477 0.3 1 304 148 30 ARG CB C 29.834 0.3 1 305 148 30 ARG CD C 43.523 0.3 1 306 148 30 ARG CG C 27.324 0.3 1 307 148 30 ARG N N 120.683 0.3 1 308 148 30 ARG NE N 84.940 0.3 1 309 149 31 TYR H H 8.560 0.020 1 310 149 31 TYR HA H 3.870 0.020 1 311 149 31 TYR HB2 H 2.771 0.020 2 312 149 31 TYR HB3 H 2.618 0.020 2 313 149 31 TYR HD1 H 6.845 0.020 1 314 149 31 TYR HD2 H 6.845 0.020 1 315 149 31 TYR HE1 H 6.919 0.020 1 316 149 31 TYR HE2 H 6.919 0.020 1 317 149 31 TYR C C 177.385 0.3 1 318 149 31 TYR CA C 61.988 0.3 1 319 149 31 TYR CB C 38.461 0.3 1 320 149 31 TYR CD1 C 133.067 0.3 1 321 149 31 TYR CE1 C 117.929 0.3 1 322 149 31 TYR N N 121.381 0.3 1 323 150 32 TYR H H 8.839 0.020 1 324 150 32 TYR HA H 4.257 0.020 1 325 150 32 TYR HB2 H 3.270 0.020 2 326 150 32 TYR HB3 H 3.246 0.020 2 327 150 32 TYR HD1 H 7.287 0.020 1 328 150 32 TYR HD2 H 7.287 0.020 1 329 150 32 TYR HE1 H 6.910 0.020 1 330 150 32 TYR HE2 H 6.910 0.020 1 331 150 32 TYR C C 174.341 0.3 1 332 150 32 TYR CA C 61.423 0.3 1 333 150 32 TYR CB C 38.665 0.3 1 334 150 32 TYR CD1 C 133.029 0.3 1 335 150 32 TYR CE1 C 118.679 0.3 1 336 150 32 TYR N N 119.045 0.3 1 337 151 33 ARG H H 7.757 0.020 1 338 151 33 ARG HA H 3.651 0.020 1 339 151 33 ARG HB2 H 2.045 0.020 2 340 151 33 ARG HB3 H 2.026 0.020 2 341 151 33 ARG HD2 H 3.350 0.020 2 342 151 33 ARG HD3 H 3.249 0.020 2 343 151 33 ARG HE H 7.433 0.020 1 344 151 33 ARG HG2 H 1.963 0.020 2 345 151 33 ARG HG3 H 1.650 0.020 2 346 151 33 ARG C C 176.946 0.3 1 347 151 33 ARG CA C 60.042 0.3 1 348 151 33 ARG CB C 29.921 0.3 1 349 151 33 ARG CD C 43.527 0.3 1 350 151 33 ARG CG C 28.122 0.3 1 351 151 33 ARG N N 117.984 0.3 1 352 151 33 ARG NE N 84.502 0.3 1 353 152 34 GLU H H 8.047 0.020 1 354 152 34 GLU HA H 4.133 0.020 1 355 152 34 GLU HB2 H 1.944 0.020 1 356 152 34 GLU HB3 H 1.944 0.020 1 357 152 34 GLU HG2 H 2.489 0.020 2 358 152 34 GLU HG3 H 2.283 0.020 2 359 152 34 GLU C C 175.058 0.3 1 360 152 34 GLU CA C 57.822 0.3 1 361 152 34 GLU CB C 29.852 0.3 1 362 152 34 GLU CG C 35.776 0.3 1 363 152 34 GLU N N 115.217 0.3 1 364 153 35 ASN H H 7.641 0.020 1 365 153 35 ASN HA H 4.666 0.020 1 366 153 35 ASN HB2 H 2.295 0.020 2 367 153 35 ASN HB3 H 2.249 0.020 2 368 153 35 ASN HD21 H 6.689 0.020 1 369 153 35 ASN HD22 H 6.649 0.020 1 370 153 35 ASN C C 172.992 0.3 1 371 153 35 ASN CA C 54.298 0.3 1 372 153 35 ASN CB C 40.534 0.3 1 373 153 35 ASN N N 114.941 0.3 1 374 153 35 ASN ND2 N 116.568 0.3 1 375 154 36 GLN H H 7.598 0.020 1 376 154 36 GLN HA H 3.654 0.020 1 377 154 36 GLN HB2 H 1.771 0.020 2 378 154 36 GLN HB3 H 1.590 0.020 2 379 154 36 GLN HE21 H 6.700 0.020 1 380 154 36 GLN HE22 H 6.671 0.020 1 381 154 36 GLN HG2 H 2.080 0.020 2 382 154 36 GLN HG3 H 1.681 0.020 2 383 154 36 GLN C C 173.514 0.3 1 384 154 36 GLN CA C 59.088 0.3 1 385 154 36 GLN CB C 28.014 0.3 1 386 154 36 GLN CG C 33.007 0.3 1 387 154 36 GLN N N 118.038 0.3 1 388 154 36 GLN NE2 N 110.732 0.3 1 389 155 37 TYR H H 7.523 0.020 1 390 155 37 TYR HA H 4.248 0.020 1 391 155 37 TYR HB2 H 3.027 0.020 2 392 155 37 TYR HB3 H 3.008 0.020 2 393 155 37 TYR HD1 H 7.081 0.020 1 394 155 37 TYR HD2 H 7.081 0.020 1 395 155 37 TYR HE1 H 6.881 0.020 1 396 155 37 TYR HE2 H 6.881 0.020 1 397 155 37 TYR C C 173.501 0.3 1 398 155 37 TYR CA C 58.890 0.3 1 399 155 37 TYR CB C 36.383 0.3 1 400 155 37 TYR CD1 C 133.215 0.3 1 401 155 37 TYR CE1 C 118.627 0.3 1 402 155 37 TYR N N 115.736 0.3 1 403 156 38 ARG H H 7.407 0.020 1 404 156 38 ARG HA H 4.051 0.020 1 405 156 38 ARG HB2 H 1.828 0.020 2 406 156 38 ARG HB3 H 1.229 0.020 2 407 156 38 ARG HD2 H 3.137 0.020 2 408 156 38 ARG HD3 H 3.027 0.020 2 409 156 38 ARG HE H 7.262 0.020 1 410 156 38 ARG HG2 H 1.213 0.020 2 411 156 38 ARG HG3 H 1.203 0.020 2 412 156 38 ARG HH21 H 6.442 0.020 1 413 156 38 ARG C C 174.100 0.3 1 414 156 38 ARG CA C 56.342 0.3 1 415 156 38 ARG CB C 30.674 0.3 1 416 156 38 ARG CD C 44.054 0.3 1 417 156 38 ARG CG C 27.407 0.3 1 418 156 38 ARG N N 118.718 0.3 1 419 156 38 ARG NE N 84.533 0.3 1 420 157 39 TYR H H 7.499 0.020 1 421 157 39 TYR HA H 4.966 0.020 1 422 157 39 TYR HB2 H 3.214 0.020 2 423 157 39 TYR HB3 H 3.062 0.020 2 424 157 39 TYR HD1 H 7.002 0.020 1 425 157 39 TYR HD2 H 7.002 0.020 1 426 157 39 TYR HE1 H 6.690 0.020 1 427 157 39 TYR HE2 H 6.690 0.020 1 428 157 39 TYR C C 170.605 0.3 1 429 157 39 TYR CA C 53.743 0.3 1 430 157 39 TYR CB C 35.766 0.3 1 431 157 39 TYR CD1 C 131.332 0.3 1 432 157 39 TYR CE1 C 118.027 0.3 1 433 157 39 TYR N N 120.163 0.3 1 434 158 40 PRO HA H 4.423 0.020 1 435 158 40 PRO HB2 H 2.284 0.020 2 436 158 40 PRO HB3 H 1.766 0.020 2 437 158 40 PRO HD2 H 3.316 0.020 2 438 158 40 PRO HD3 H 3.281 0.020 2 439 158 40 PRO HG2 H 1.586 0.020 2 440 158 40 PRO HG3 H 1.291 0.020 2 441 158 40 PRO C C 172.905 0.3 1 442 158 40 PRO CA C 63.345 0.3 1 443 158 40 PRO CB C 32.268 0.3 1 444 158 40 PRO CD C 49.905 0.3 1 445 158 40 PRO CG C 27.156 0.3 1 446 159 41 ASN H H 8.632 0.020 1 447 159 41 ASN HA H 4.750 0.020 1 448 159 41 ASN HB2 H 3.611 0.020 2 449 159 41 ASN HB3 H 2.530 0.020 2 450 159 41 ASN HD21 H 7.558 0.020 1 451 159 41 ASN HD22 H 6.843 0.020 1 452 159 41 ASN C C 170.497 0.3 1 453 159 41 ASN CA C 51.922 0.3 1 454 159 41 ASN CB C 38.319 0.3 1 455 159 41 ASN N N 116.614 0.3 1 456 159 41 ASN ND2 N 109.600 0.3 1 457 160 42 GLN H H 7.281 0.020 1 458 160 42 GLN HA H 4.640 0.020 1 459 160 42 GLN HB2 H 2.060 0.020 2 460 160 42 GLN HB3 H 1.828 0.020 2 461 160 42 GLN HE21 H 8.007 0.020 1 462 160 42 GLN HE22 H 7.072 0.020 1 463 160 42 GLN HG2 H 2.213 0.020 2 464 160 42 GLN HG3 H 2.149 0.020 2 465 160 42 GLN C C 172.732 0.3 1 466 160 42 GLN CA C 54.107 0.3 1 467 160 42 GLN CB C 33.681 0.3 1 468 160 42 GLN CG C 34.063 0.3 1 469 160 42 GLN N N 114.546 0.3 1 470 160 42 GLN NE2 N 112.894 0.3 1 471 161 43 VAL H H 8.679 0.020 1 472 161 43 VAL HA H 4.882 0.020 1 473 161 43 VAL HB H 2.513 0.020 1 474 161 43 VAL HG1 H 0.970 0.020 2 475 161 43 VAL HG2 H 0.803 0.020 2 476 161 43 VAL C C 171.217 0.3 1 477 161 43 VAL CA C 58.885 0.3 1 478 161 43 VAL CB C 33.422 0.3 1 479 161 43 VAL CG1 C 23.865 0.3 1 480 161 43 VAL CG2 C 18.298 0.3 1 481 161 43 VAL N N 113.718 0.3 1 482 162 44 MET H H 8.512 0.020 1 483 162 44 MET HA H 5.531 0.020 1 484 162 44 MET HB2 H 1.748 0.020 2 485 162 44 MET HB3 H 1.698 0.020 2 486 162 44 MET HE H 1.874 0.020 1 487 162 44 MET HG2 H 2.475 0.020 2 488 162 44 MET HG3 H 2.355 0.020 2 489 162 44 MET C C 171.297 0.3 1 490 162 44 MET CA C 54.302 0.3 1 491 162 44 MET CB C 36.527 0.3 1 492 162 44 MET CE C 17.419 0.3 1 493 162 44 MET CG C 32.982 0.3 1 494 162 44 MET N N 121.446 0.3 1 495 163 45 TYR H H 8.261 0.020 1 496 163 45 TYR HA H 4.843 0.020 1 497 163 45 TYR HB2 H 2.970 0.020 2 498 163 45 TYR HB3 H 2.655 0.020 2 499 163 45 TYR HD1 H 7.138 0.020 1 500 163 45 TYR HD2 H 7.138 0.020 1 501 163 45 TYR HE1 H 6.520 0.020 1 502 163 45 TYR HE2 H 6.520 0.020 1 503 163 45 TYR C C 171.222 0.3 1 504 163 45 TYR CA C 55.887 0.3 1 505 163 45 TYR CB C 39.721 0.3 1 506 163 45 TYR CD1 C 134.143 0.3 1 507 163 45 TYR CE1 C 117.767 0.3 1 508 163 45 TYR N N 112.737 0.3 1 509 164 46 ARG H H 8.057 0.020 1 510 164 46 ARG HA H 4.723 0.020 1 511 164 46 ARG HB2 H 1.966 0.020 2 512 164 46 ARG HB3 H 1.949 0.020 2 513 164 46 ARG HD2 H 2.919 0.020 2 514 164 46 ARG HD3 H 2.939 0.020 2 515 164 46 ARG HE H 6.702 0.020 1 516 164 46 ARG HG2 H 1.268 0.020 2 517 164 46 ARG HG3 H 1.191 0.020 2 518 164 46 ARG C C 170.022 0.3 1 519 164 46 ARG CA C 53.748 0.3 1 520 164 46 ARG CB C 29.658 0.3 1 521 164 46 ARG CD C 43.497 0.3 1 522 164 46 ARG CG C 28.099 0.3 1 523 164 46 ARG N N 119.929 0.3 1 524 164 46 ARG NE N 84.705 0.3 1 525 165 47 PRO HA H 4.610 0.020 1 526 165 47 PRO HB2 H 2.500 0.020 2 527 165 47 PRO HB3 H 2.026 0.020 2 528 165 47 PRO HD2 H 3.706 0.020 2 529 165 47 PRO HD3 H 3.476 0.020 2 530 165 47 PRO HG2 H 2.155 0.020 2 531 165 47 PRO HG3 H 2.031 0.020 2 532 165 47 PRO C C 175.856 0.3 1 533 165 47 PRO CA C 63.587 0.3 1 534 165 47 PRO CB C 32.650 0.3 1 535 165 47 PRO CD C 50.128 0.3 1 536 165 47 PRO CG C 28.297 0.3 1 537 166 48 ILE H H 8.523 0.020 1 538 166 48 ILE HA H 4.391 0.020 1 539 166 48 ILE HB H 1.933 0.020 1 540 166 48 ILE HD1 H 0.531 0.020 1 541 166 48 ILE HG12 H 1.217 0.020 1 542 166 48 ILE HG13 H 1.217 0.020 1 543 166 48 ILE HG2 H 0.805 0.020 1 544 166 48 ILE C C 174.728 0.3 1 545 166 48 ILE CA C 65.481 0.3 1 546 166 48 ILE CB C 38.395 0.3 1 547 166 48 ILE CD1 C 14.004 0.3 1 548 166 48 ILE CG1 C 27.075 0.3 1 549 166 48 ILE CG2 C 18.197 0.3 1 550 166 48 ILE N N 117.157 0.3 1 551 167 49 ASP H H 8.332 0.020 1 552 167 49 ASP HA H 4.656 0.020 1 553 167 49 ASP HB2 H 2.978 0.020 2 554 167 49 ASP HB3 H 2.755 0.020 2 555 167 49 ASP C C 174.606 0.3 1 556 167 49 ASP CA C 54.501 0.3 1 557 167 49 ASP CB C 39.166 0.3 1 558 167 49 ASP N N 118.409 0.3 1 559 168 50 GLN H H 8.308 0.020 1 560 168 50 GLN HA H 4.117 0.020 1 561 168 50 GLN HB2 H 1.907 0.020 2 562 168 50 GLN HB3 H 1.725 0.020 2 563 168 50 GLN HE21 H 7.605 0.020 1 564 168 50 GLN HE22 H 6.840 0.020 1 565 168 50 GLN HG2 H 2.260 0.020 2 566 168 50 GLN HG3 H 2.217 0.020 2 567 168 50 GLN C C 172.406 0.3 1 568 168 50 GLN CA C 55.763 0.3 1 569 168 50 GLN CB C 27.426 0.3 1 570 168 50 GLN CG C 34.231 0.3 1 571 168 50 GLN N N 117.786 0.3 1 572 168 50 GLN NE2 N 112.816 0.3 1 573 169 51 TYR H H 7.887 0.020 1 574 169 51 TYR HA H 4.861 0.020 1 575 169 51 TYR HB2 H 3.434 0.020 2 576 169 51 TYR HB3 H 3.064 0.020 2 577 169 51 TYR HD1 H 7.381 0.020 1 578 169 51 TYR HD2 H 7.381 0.020 1 579 169 51 TYR HE1 H 6.990 0.020 1 580 169 51 TYR HE2 H 6.990 0.020 1 581 169 51 TYR C C 173.889 0.3 1 582 169 51 TYR CA C 57.243 0.3 1 583 169 51 TYR CB C 42.236 0.3 1 584 169 51 TYR CD1 C 134.138 0.3 1 585 169 51 TYR CE1 C 118.935 0.3 1 586 169 51 TYR N N 116.921 0.3 1 587 170 52 GLY H H 9.064 0.020 1 588 170 52 GLY HA2 H 4.354 0.020 1 589 170 52 GLY CA C 45.147 0.3 1 590 170 52 GLY N N 107.433 0.3 1 591 171 53 SER HA H 4.709 0.020 1 592 171 53 SER HB2 H 4.141 0.020 2 593 171 53 SER HB3 H 4.122 0.020 2 594 171 53 SER C C 171.124 0.3 1 595 171 53 SER CA C 56.794 0.3 1 596 171 53 SER CB C 65.770 0.3 1 597 172 54 GLN H H 8.912 0.020 1 598 172 54 GLN HA H 2.983 0.020 1 599 172 54 GLN HB2 H 1.586 0.020 2 600 172 54 GLN HB3 H 1.545 0.020 2 601 172 54 GLN HE21 H 7.093 0.020 1 602 172 54 GLN HE22 H 6.895 0.020 1 603 172 54 GLN HG2 H 1.721 0.020 2 604 172 54 GLN HG3 H 1.050 0.020 2 605 172 54 GLN C C 175.165 0.3 1 606 172 54 GLN CA C 59.024 0.3 1 607 172 54 GLN CB C 28.588 0.3 1 608 172 54 GLN CG C 33.341 0.3 1 609 172 54 GLN N N 122.103 0.3 1 610 172 54 GLN NE2 N 111.346 0.3 1 611 173 55 ASN H H 8.647 0.020 1 612 173 55 ASN HA H 4.221 0.020 1 613 173 55 ASN HB2 H 2.759 0.020 2 614 173 55 ASN HB3 H 2.661 0.020 2 615 173 55 ASN HD21 H 7.644 0.020 1 616 173 55 ASN HD22 H 6.980 0.020 1 617 173 55 ASN C C 175.359 0.3 1 618 173 55 ASN CA C 56.462 0.3 1 619 173 55 ASN CB C 37.827 0.3 1 620 173 55 ASN N N 116.220 0.3 1 621 173 55 ASN ND2 N 112.420 0.3 1 622 174 56 SER H H 8.022 0.020 1 623 174 56 SER HA H 4.301 0.020 1 624 174 56 SER HB2 H 4.194 0.020 2 625 174 56 SER HB3 H 4.143 0.020 2 626 174 56 SER C C 174.101 0.3 1 627 174 56 SER CA C 61.577 0.3 1 628 174 56 SER CB C 62.879 0.3 1 629 174 56 SER N N 115.424 0.3 1 630 175 57 PHE H H 7.435 0.020 1 631 175 57 PHE HB2 H 3.210 0.020 2 632 175 57 PHE HB3 H 3.190 0.020 2 633 175 57 PHE HD1 H 7.219 0.020 1 634 175 57 PHE HD2 H 7.219 0.020 1 635 175 57 PHE HE1 H 7.879 0.020 1 636 175 57 PHE HE2 H 7.879 0.020 1 637 175 57 PHE HZ H 6.605 0.020 1 638 175 57 PHE C C 174.686 0.3 1 639 175 57 PHE CA C 60.954 0.3 1 640 175 57 PHE CB C 38.699 0.3 1 641 175 57 PHE CD1 C 132.687 0.3 1 642 175 57 PHE CE1 C 132.421 0.3 1 643 175 57 PHE CZ C 128.978 0.3 1 644 175 57 PHE N N 123.536 0.3 1 645 176 58 VAL H H 8.970 0.020 1 646 176 58 VAL HA H 3.326 0.020 1 647 176 58 VAL HB H 2.155 0.020 1 648 176 58 VAL HG1 H 1.064 0.020 2 649 176 58 VAL HG2 H 1.017 0.020 2 650 176 58 VAL C C 174.354 0.3 1 651 176 58 VAL CA C 67.484 0.3 1 652 176 58 VAL CB C 31.961 0.3 1 653 176 58 VAL CG1 C 24.564 0.3 1 654 176 58 VAL CG2 C 21.957 0.3 1 655 176 58 VAL N N 120.231 0.3 1 656 177 59 HIS H H 8.207 0.020 1 657 177 59 HIS HA H 4.277 0.020 1 658 177 59 HIS HB2 H 3.341 0.020 2 659 177 59 HIS HB3 H 3.319 0.020 2 660 177 59 HIS HD2 H 7.383 0.020 1 661 177 59 HIS HE1 H 8.627 0.020 1 662 177 59 HIS C C 174.513 0.3 1 663 177 59 HIS CA C 59.087 0.3 1 664 177 59 HIS CB C 28.156 0.3 1 665 177 59 HIS CD2 C 120.284 0.3 1 666 177 59 HIS CE1 C 136.451 0.3 1 667 177 59 HIS N N 116.180 0.3 1 668 178 60 ASP H H 7.428 0.020 1 669 178 60 ASP HA H 4.635 0.020 1 670 178 60 ASP HB2 H 2.983 0.020 2 671 178 60 ASP HB3 H 2.839 0.020 2 672 178 60 ASP C C 173.477 0.3 1 673 178 60 ASP CA C 57.037 0.3 1 674 178 60 ASP CB C 41.158 0.3 1 675 178 60 ASP N N 118.403 0.3 1 676 179 61 CYS H H 8.293 0.020 1 677 179 61 CYS HA H 4.603 0.020 1 678 179 61 CYS HB2 H 3.113 0.020 2 679 179 61 CYS HB3 H 2.655 0.020 2 680 179 61 CYS C C 174.886 0.3 1 681 179 61 CYS CA C 58.698 0.3 1 682 179 61 CYS CB C 40.716 0.3 1 683 179 61 CYS N N 119.416 0.3 1 684 180 62 VAL H H 9.026 0.020 1 685 180 62 VAL HA H 3.632 0.020 1 686 180 62 VAL HB H 2.120 0.020 1 687 180 62 VAL HG1 H 1.045 0.020 2 688 180 62 VAL HG2 H 0.934 0.020 2 689 180 62 VAL C C 174.540 0.3 1 690 180 62 VAL CA C 66.100 0.3 1 691 180 62 VAL CB C 31.785 0.3 1 692 180 62 VAL CG1 C 23.270 0.3 1 693 180 62 VAL CG2 C 21.285 0.3 1 694 180 62 VAL N N 123.812 0.3 1 695 181 63 ASN H H 7.541 0.020 1 696 181 63 ASN HA H 4.318 0.020 1 697 181 63 ASN HB2 H 2.891 0.020 2 698 181 63 ASN HB3 H 2.828 0.020 2 699 181 63 ASN HD21 H 7.710 0.020 1 700 181 63 ASN HD22 H 6.787 0.020 1 701 181 63 ASN C C 175.895 0.3 1 702 181 63 ASN CA C 56.588 0.3 1 703 181 63 ASN CB C 38.649 0.3 1 704 181 63 ASN N N 116.961 0.3 1 705 181 63 ASN ND2 N 111.963 0.3 1 706 182 64 ILE H H 8.934 0.020 1 707 182 64 ILE HA H 3.749 0.020 1 708 182 64 ILE HB H 1.612 0.020 1 709 182 64 ILE HD1 H 0.543 0.020 1 710 182 64 ILE HG12 H 0.841 0.020 1 711 182 64 ILE HG13 H 0.841 0.020 1 712 182 64 ILE HG2 H 0.394 0.020 1 713 182 64 ILE C C 175.582 0.3 1 714 182 64 ILE CA C 63.041 0.3 1 715 182 64 ILE CB C 37.453 0.3 1 716 182 64 ILE CD1 C 12.670 0.3 1 717 182 64 ILE CG1 C 28.080 0.3 1 718 182 64 ILE CG2 C 18.251 0.3 1 719 182 64 ILE N N 118.983 0.3 1 720 183 65 THR H H 8.080 0.020 1 721 183 65 THR HA H 3.927 0.020 1 722 183 65 THR HB H 4.413 0.020 1 723 183 65 THR HG1 H 6.155 0.020 1 724 183 65 THR HG2 H 1.357 0.020 1 725 183 65 THR C C 175.298 0.3 1 726 183 65 THR CA C 68.231 0.3 1 727 183 65 THR CB C 68.333 0.3 1 728 183 65 THR CG2 C 21.867 0.3 1 729 183 65 THR N N 117.879 0.3 1 730 184 66 VAL H H 8.797 0.020 1 731 184 66 VAL HA H 3.583 0.020 1 732 184 66 VAL HB H 2.287 0.020 1 733 184 66 VAL HG1 H 1.005 0.020 2 734 184 66 VAL HG2 H 0.927 0.020 2 735 184 66 VAL C C 176.361 0.3 1 736 184 66 VAL CA C 67.613 0.3 1 737 184 66 VAL CB C 31.331 0.3 1 738 184 66 VAL CG1 C 23.593 0.3 1 739 184 66 VAL CG2 C 21.118 0.3 1 740 184 66 VAL N N 120.689 0.3 1 741 185 67 LYS H H 8.047 0.020 1 742 185 67 LYS HA H 4.067 0.020 1 743 185 67 LYS HB2 H 1.999 0.020 1 744 185 67 LYS HB3 H 1.999 0.020 1 745 185 67 LYS HD2 H 1.652 0.020 1 746 185 67 LYS HD3 H 1.652 0.020 1 747 185 67 LYS HE2 H 2.959 0.020 1 748 185 67 LYS HE3 H 2.959 0.020 1 749 185 67 LYS HG2 H 1.494 0.020 2 750 185 67 LYS HG3 H 1.417 0.020 2 751 185 67 LYS C C 176.906 0.3 1 752 185 67 LYS CA C 59.646 0.3 1 753 185 67 LYS CB C 32.077 0.3 1 754 185 67 LYS CD C 29.100 0.3 1 755 185 67 LYS CE C 41.902 0.3 1 756 185 67 LYS CG C 25.042 0.3 1 757 185 67 LYS N N 121.468 0.3 1 758 186 68 GLN H H 8.336 0.020 1 759 186 68 GLN HA H 4.065 0.020 1 760 186 68 GLN HB2 H 2.164 0.020 2 761 186 68 GLN HB3 H 2.133 0.020 2 762 186 68 GLN HE21 H 7.388 0.020 1 763 186 68 GLN HE22 H 6.815 0.020 1 764 186 68 GLN HG2 H 2.464 0.020 2 765 186 68 GLN HG3 H 2.342 0.020 2 766 186 68 GLN C C 175.382 0.3 1 767 186 68 GLN CA C 58.028 0.3 1 768 186 68 GLN CB C 27.870 0.3 1 769 186 68 GLN CG C 33.614 0.3 1 770 186 68 GLN N N 117.891 0.3 1 771 186 68 GLN NE2 N 111.348 0.3 1 772 187 69 HIS H H 8.016 0.020 1 773 187 69 HIS HA H 4.590 0.020 1 774 187 69 HIS HB2 H 3.298 0.020 2 775 187 69 HIS HB3 H 3.248 0.020 2 776 187 69 HIS HD2 H 7.185 0.020 1 777 187 69 HIS HE1 H 8.417 0.020 1 778 187 69 HIS C C 173.742 0.3 1 779 187 69 HIS CA C 58.261 0.3 1 780 187 69 HIS CB C 30.195 0.3 1 781 187 69 HIS CD2 C 118.943 0.3 1 782 187 69 HIS CE1 C 138.251 0.3 1 783 187 69 HIS N N 116.591 0.3 1 784 188 70 THR H H 8.116 0.020 1 785 188 70 THR HA H 4.337 0.020 1 786 188 70 THR HB H 4.410 0.020 1 787 188 70 THR HG2 H 1.104 0.020 1 788 188 70 THR C C 173.157 0.3 1 789 188 70 THR CA C 63.522 0.3 1 790 188 70 THR CB C 69.469 0.3 1 791 188 70 THR CG2 C 21.621 0.3 1 792 188 70 THR N N 110.087 0.3 1 793 189 71 THR H H 7.928 0.020 1 794 189 71 THR HA H 4.406 0.020 1 795 189 71 THR HB H 4.338 0.020 1 796 189 71 THR HG2 H 1.283 0.020 1 797 189 71 THR C C 172.931 0.3 1 798 189 71 THR CA C 63.685 0.3 1 799 189 71 THR CB C 69.667 0.3 1 800 189 71 THR CG2 C 21.386 0.3 1 801 189 71 THR N N 116.083 0.3 1 802 190 72 THR H H 8.095 0.020 1 803 190 72 THR HA H 4.407 0.020 1 804 190 72 THR HB H 4.314 0.020 1 805 190 72 THR HG2 H 1.270 0.020 1 806 190 72 THR C C 172.945 0.3 1 807 190 72 THR CA C 63.000 0.3 1 808 190 72 THR CB C 69.537 0.3 1 809 190 72 THR CG2 C 21.508 0.3 1 810 190 72 THR N N 115.989 0.3 1 811 191 73 THR H H 8.126 0.020 1 812 191 73 THR HA H 4.334 0.020 1 813 191 73 THR HB H 4.253 0.020 1 814 191 73 THR HG2 H 1.132 0.020 1 815 191 73 THR C C 173.304 0.3 1 816 191 73 THR CA C 63.066 0.3 1 817 191 73 THR CB C 69.321 0.3 1 818 191 73 THR CG2 C 21.576 0.3 1 819 191 73 THR N N 115.328 0.3 1 820 192 74 THR H H 8.191 0.020 1 821 192 74 THR HA H 4.431 0.020 1 822 192 74 THR HB H 4.376 0.020 1 823 192 74 THR HG2 H 1.264 0.020 1 824 192 74 THR C C 173.583 0.3 1 825 192 74 THR CA C 63.093 0.3 1 826 192 74 THR CB C 69.476 0.3 1 827 192 74 THR CG2 C 21.597 0.3 1 828 192 74 THR N N 115.562 0.3 1 829 193 75 THR H H 8.027 0.020 1 830 193 75 THR HA H 4.301 0.020 1 831 193 75 THR HB H 4.279 0.020 1 832 193 75 THR HG2 H 1.245 0.020 1 833 193 75 THR C C 172.440 0.3 1 834 193 75 THR CA C 62.994 0.3 1 835 193 75 THR CB C 69.400 0.3 1 836 193 75 THR CG2 C 21.690 0.3 1 837 193 75 THR N N 115.801 0.3 1 838 194 76 LYS H H 8.083 0.020 1 839 194 76 LYS HA H 4.317 0.020 1 840 194 76 LYS HB2 H 1.920 0.020 2 841 194 76 LYS HB3 H 1.813 0.020 2 842 194 76 LYS HD2 H 1.675 0.020 1 843 194 76 LYS HD3 H 1.675 0.020 1 844 194 76 LYS HE2 H 2.969 0.020 1 845 194 76 LYS HE3 H 2.969 0.020 1 846 194 76 LYS HG2 H 1.487 0.020 2 847 194 76 LYS HG3 H 1.427 0.020 2 848 194 76 LYS C C 174.527 0.3 1 849 194 76 LYS CA C 56.652 0.3 1 850 194 76 LYS CB C 32.307 0.3 1 851 194 76 LYS CD C 29.030 0.3 1 852 194 76 LYS CE C 41.986 0.3 1 853 194 76 LYS CG C 24.770 0.3 1 854 194 76 LYS N N 122.160 0.3 1 855 195 77 GLY H H 8.275 0.020 1 856 195 77 GLY HA2 H 4.042 0.020 1 857 195 77 GLY C C 171.656 0.3 1 858 195 77 GLY CA C 45.285 0.3 1 859 195 77 GLY N N 109.570 0.3 1 860 196 78 GLU H H 7.885 0.020 1 861 196 78 GLU HA H 4.256 0.020 1 862 196 78 GLU HB2 H 1.745 0.020 1 863 196 78 GLU HB3 H 1.745 0.020 1 864 196 78 GLU HG2 H 2.149 0.020 2 865 196 78 GLU HG3 H 2.168 0.020 2 866 196 78 GLU C C 172.865 0.3 1 867 196 78 GLU CA C 55.650 0.3 1 868 196 78 GLU CB C 30.074 0.3 1 869 196 78 GLU CG C 34.975 0.3 1 870 196 78 GLU N N 120.112 0.3 1 871 197 79 ASN H H 8.450 0.020 1 872 197 79 ASN HA H 4.680 0.020 1 873 197 79 ASN HB2 H 2.714 0.020 2 874 197 79 ASN HB3 H 2.633 0.020 2 875 197 79 ASN HD21 H 7.555 0.020 1 876 197 79 ASN HD22 H 6.877 0.020 1 877 197 79 ASN C C 171.855 0.3 1 878 197 79 ASN CA C 52.837 0.3 1 879 197 79 ASN CB C 39.659 0.3 1 880 197 79 ASN N N 119.944 0.3 1 881 197 79 ASN ND2 N 113.131 0.3 1 882 198 80 PHE H H 8.581 0.020 1 883 198 80 PHE HA H 5.142 0.020 1 884 198 80 PHE HB2 H 2.997 0.020 2 885 198 80 PHE HB3 H 3.156 0.020 2 886 198 80 PHE HD1 H 7.366 0.020 1 887 198 80 PHE HD2 H 7.366 0.020 1 888 198 80 PHE HE1 H 7.342 0.020 1 889 198 80 PHE HE2 H 7.342 0.020 1 890 198 80 PHE HZ H 7.430 0.020 1 891 198 80 PHE C C 174.141 0.3 1 892 198 80 PHE CA C 57.121 0.3 1 893 198 80 PHE CB C 39.966 0.3 1 894 198 80 PHE CD1 C 131.541 0.3 1 895 198 80 PHE CE1 C 131.452 0.3 1 896 198 80 PHE CZ C 129.909 0.3 1 897 198 80 PHE N N 121.272 0.3 1 898 199 81 THR H H 9.589 0.020 1 899 199 81 THR HA H 4.618 0.020 1 900 199 81 THR HB H 4.831 0.020 1 901 199 81 THR HG2 H 1.424 0.020 1 902 199 81 THR C C 172.918 0.3 1 903 199 81 THR CA C 60.423 0.3 1 904 199 81 THR CB C 71.867 0.3 1 905 199 81 THR CG2 C 21.643 0.3 1 906 199 81 THR N N 115.992 0.3 1 907 200 82 GLU H H 9.099 0.020 1 908 200 82 GLU HA H 4.082 0.020 1 909 200 82 GLU HB2 H 2.140 0.020 2 910 200 82 GLU HB3 H 2.073 0.020 2 911 200 82 GLU HG2 H 2.441 0.020 2 912 200 82 GLU HG3 H 2.382 0.020 2 913 200 82 GLU C C 176.441 0.3 1 914 200 82 GLU CA C 59.658 0.3 1 915 200 82 GLU CB C 28.610 0.3 1 916 200 82 GLU CG C 35.311 0.3 1 917 200 82 GLU N N 119.824 0.3 1 918 201 83 THR H H 7.981 0.020 1 919 201 83 THR HA H 3.780 0.020 1 920 201 83 THR HB H 3.739 0.020 1 921 201 83 THR HG2 H 0.639 0.020 1 922 201 83 THR C C 172.839 0.3 1 923 201 83 THR CA C 66.727 0.3 1 924 201 83 THR CB C 68.597 0.3 1 925 201 83 THR CG2 C 20.904 0.3 1 926 201 83 THR N N 116.294 0.3 1 927 202 84 ASP H H 7.557 0.020 1 928 202 84 ASP HA H 4.538 0.020 1 929 202 84 ASP HB2 H 3.374 0.020 2 930 202 84 ASP HB3 H 2.599 0.020 2 931 202 84 ASP C C 175.324 0.3 1 932 202 84 ASP CA C 58.028 0.3 1 933 202 84 ASP CB C 41.838 0.3 1 934 202 84 ASP N N 119.423 0.3 1 935 203 85 ILE H H 8.134 0.020 1 936 203 85 ILE HA H 3.456 0.020 1 937 203 85 ILE HB H 1.959 0.020 1 938 203 85 ILE HD1 H 0.753 0.020 1 939 203 85 ILE HG12 H 1.251 0.020 1 940 203 85 ILE HG13 H 1.251 0.020 1 941 203 85 ILE HG2 H 0.844 0.020 1 942 203 85 ILE C C 174.912 0.3 1 943 203 85 ILE CA C 64.623 0.3 1 944 203 85 ILE CB C 36.943 0.3 1 945 203 85 ILE CD1 C 11.470 0.3 1 946 203 85 ILE CG1 C 28.689 0.3 1 947 203 85 ILE CG2 C 17.061 0.3 1 948 203 85 ILE N N 119.025 0.3 1 949 204 86 LYS H H 7.859 0.020 1 950 204 86 LYS HA H 4.034 0.020 1 951 204 86 LYS HB2 H 1.934 0.020 1 952 204 86 LYS HB3 H 1.934 0.020 1 953 204 86 LYS HD2 H 1.832 0.020 1 954 204 86 LYS HD3 H 1.832 0.020 1 955 204 86 LYS HE2 H 2.916 0.020 1 956 204 86 LYS HE3 H 2.916 0.020 1 957 204 86 LYS HG2 H 1.585 0.020 2 958 204 86 LYS HG3 H 1.402 0.020 2 959 204 86 LYS C C 177.717 0.3 1 960 204 86 LYS CA C 59.375 0.3 1 961 204 86 LYS CB C 32.247 0.3 1 962 204 86 LYS CD C 32.182 0.3 1 963 204 86 LYS CE C 41.945 0.3 1 964 204 86 LYS CG C 25.044 0.3 1 965 204 86 LYS N N 119.556 0.3 1 966 205 87 ILE H H 7.995 0.020 1 967 205 87 ILE HA H 3.570 0.020 1 968 205 87 ILE HB H 1.955 0.020 1 969 205 87 ILE HD1 H 0.618 0.020 1 970 205 87 ILE HG12 H 0.710 0.020 1 971 205 87 ILE HG13 H 0.710 0.020 1 972 205 87 ILE HG2 H 0.825 0.020 1 973 205 87 ILE C C 175.337 0.3 1 974 205 87 ILE CA C 64.865 0.3 1 975 205 87 ILE CB C 37.523 0.3 1 976 205 87 ILE CD1 C 13.494 0.3 1 977 205 87 ILE CG1 C 28.561 0.3 1 978 205 87 ILE CG2 C 18.330 0.3 1 979 205 87 ILE N N 119.420 0.3 1 980 206 88 MET H H 8.888 0.020 1 981 206 88 MET HA H 3.495 0.020 1 982 206 88 MET HB2 H 1.995 0.020 2 983 206 88 MET HB3 H 1.865 0.020 2 984 206 88 MET HE H 1.510 0.020 1 985 206 88 MET HG2 H 2.016 0.020 2 986 206 88 MET HG3 H 2.008 0.020 2 987 206 88 MET C C 175.484 0.3 1 988 206 88 MET CA C 59.961 0.3 1 989 206 88 MET CB C 33.418 0.3 1 990 206 88 MET CE C 16.081 0.3 1 991 206 88 MET CG C 31.810 0.3 1 992 206 88 MET N N 119.371 0.3 1 993 207 89 GLU H H 8.603 0.020 1 994 207 89 GLU HA H 3.652 0.020 1 995 207 89 GLU HB2 H 2.222 0.020 2 996 207 89 GLU HB3 H 2.025 0.020 2 997 207 89 GLU HG2 H 2.627 0.020 2 998 207 89 GLU HG3 H 2.264 0.020 2 999 207 89 GLU C C 175.922 0.3 1 1000 207 89 GLU CA C 60.338 0.3 1 1001 207 89 GLU CB C 28.304 0.3 1 1002 207 89 GLU CG C 35.159 0.3 1 1003 207 89 GLU N N 116.915 0.3 1 1004 208 90 ARG H H 7.245 0.020 1 1005 208 90 ARG HA H 4.170 0.020 1 1006 208 90 ARG HB2 H 2.102 0.020 2 1007 208 90 ARG HB3 H 2.081 0.020 2 1008 208 90 ARG HD2 H 3.246 0.020 2 1009 208 90 ARG HD3 H 3.234 0.020 2 1010 208 90 ARG HE H 7.229 0.020 1 1011 208 90 ARG HG2 H 1.897 0.020 2 1012 208 90 ARG HG3 H 1.817 0.020 2 1013 208 90 ARG C C 176.876 0.3 1 1014 208 90 ARG CA C 58.510 0.3 1 1015 208 90 ARG CB C 30.217 0.3 1 1016 208 90 ARG CD C 42.894 0.3 1 1017 208 90 ARG CG C 26.970 0.3 1 1018 208 90 ARG N N 117.654 0.3 1 1019 208 90 ARG NE N 83.709 0.3 1 1020 209 91 VAL H H 8.398 0.020 1 1021 209 91 VAL HA H 3.740 0.020 1 1022 209 91 VAL HB H 2.083 0.020 1 1023 209 91 VAL HG1 H 1.044 0.020 2 1024 209 91 VAL HG2 H 1.115 0.020 2 1025 209 91 VAL C C 175.396 0.3 1 1026 209 91 VAL CA C 65.815 0.3 1 1027 209 91 VAL CB C 32.590 0.3 1 1028 209 91 VAL CG1 C 23.532 0.3 1 1029 209 91 VAL CG2 C 21.112 0.3 1 1030 209 91 VAL N N 121.572 0.3 1 1031 210 92 VAL H H 9.087 0.020 1 1032 210 92 VAL HA H 3.665 0.020 1 1033 210 92 VAL HB H 2.183 0.020 1 1034 210 92 VAL HG1 H 1.185 0.020 2 1035 210 92 VAL HG2 H 0.938 0.020 2 1036 210 92 VAL C C 175.058 0.3 1 1037 210 92 VAL CA C 65.988 0.3 1 1038 210 92 VAL CB C 30.988 0.3 1 1039 210 92 VAL CG1 C 24.618 0.3 1 1040 210 92 VAL CG2 C 24.166 0.3 1 1041 210 92 VAL N N 119.802 0.3 1 1042 211 93 GLU H H 8.025 0.020 1 1043 211 93 GLU HA H 3.550 0.020 1 1044 211 93 GLU HB2 H 2.200 0.020 2 1045 211 93 GLU HB3 H 2.174 0.020 2 1046 211 93 GLU HG2 H 2.095 0.020 2 1047 211 93 GLU HG3 H 2.080 0.020 2 1048 211 93 GLU C C 174.979 0.3 1 1049 211 93 GLU CA C 60.890 0.3 1 1050 211 93 GLU CB C 28.808 0.3 1 1051 211 93 GLU CG C 35.501 0.3 1 1052 211 93 GLU N N 121.311 0.3 1 1053 212 94 GLN H H 7.152 0.020 1 1054 212 94 GLN HA H 3.973 0.020 1 1055 212 94 GLN HB2 H 2.228 0.020 2 1056 212 94 GLN HB3 H 2.151 0.020 2 1057 212 94 GLN HE21 H 7.593 0.020 1 1058 212 94 GLN HE22 H 6.931 0.020 1 1059 212 94 GLN HG2 H 2.459 0.020 2 1060 212 94 GLN HG3 H 2.443 0.020 2 1061 212 94 GLN C C 176.427 0.3 1 1062 212 94 GLN CA C 58.551 0.3 1 1063 212 94 GLN CB C 27.784 0.3 1 1064 212 94 GLN CG C 33.542 0.3 1 1065 212 94 GLN N N 115.376 0.3 1 1066 212 94 GLN NE2 N 114.223 0.3 1 1067 213 95 MET H H 8.024 0.020 1 1068 213 95 MET HA H 4.115 0.020 1 1069 213 95 MET HB2 H 2.260 0.020 2 1070 213 95 MET HB3 H 2.154 0.020 2 1071 213 95 MET HE H 1.907 0.020 1 1072 213 95 MET HG2 H 2.153 0.020 2 1073 213 95 MET HG3 H 2.138 0.020 2 1074 213 95 MET C C 175.997 0.3 1 1075 213 95 MET CA C 59.660 0.3 1 1076 213 95 MET CB C 34.801 0.3 1 1077 213 95 MET CE C 16.322 0.3 1 1078 213 95 MET CG C 28.743 0.3 1 1079 213 95 MET N N 119.252 0.3 1 1080 214 96 CYS H H 9.284 0.020 1 1081 214 96 CYS HA H 4.360 0.020 1 1082 214 96 CYS HB2 H 3.546 0.020 2 1083 214 96 CYS HB3 H 2.827 0.020 2 1084 214 96 CYS C C 174.261 0.3 1 1085 214 96 CYS CA C 60.204 0.3 1 1086 214 96 CYS CB C 42.284 0.3 1 1087 214 96 CYS N N 119.247 0.3 1 1088 215 97 ILE H H 8.339 0.020 1 1089 215 97 ILE HA H 3.489 0.020 1 1090 215 97 ILE HB H 1.972 0.020 1 1091 215 97 ILE HD1 H 0.828 0.020 1 1092 215 97 ILE HG12 H 0.835 0.020 1 1093 215 97 ILE HG13 H 0.835 0.020 1 1094 215 97 ILE HG2 H 0.857 0.020 1 1095 215 97 ILE C C 175.404 0.3 1 1096 215 97 ILE CA C 66.721 0.3 1 1097 215 97 ILE CB C 38.243 0.3 1 1098 215 97 ILE CD1 C 14.009 0.3 1 1099 215 97 ILE CG1 C 30.850 0.3 1 1100 215 97 ILE CG2 C 16.915 0.3 1 1101 215 97 ILE N N 123.772 0.3 1 1102 216 98 THR H H 8.063 0.020 1 1103 216 98 THR HA H 3.862 0.020 1 1104 216 98 THR HB H 4.285 0.020 1 1105 216 98 THR HG2 H 1.260 0.020 1 1106 216 98 THR C C 173.596 0.3 1 1107 216 98 THR CA C 66.981 0.3 1 1108 216 98 THR CB C 68.418 0.3 1 1109 216 98 THR CG2 C 22.086 0.3 1 1110 216 98 THR N N 118.233 0.3 1 1111 217 99 GLN H H 8.719 0.020 1 1112 217 99 GLN HA H 3.759 0.020 1 1113 217 99 GLN HB2 H 2.314 0.020 2 1114 217 99 GLN HB3 H 2.070 0.020 2 1115 217 99 GLN HE21 H 7.382 0.020 1 1116 217 99 GLN HE22 H 6.647 0.020 1 1117 217 99 GLN HG2 H 1.756 0.020 2 1118 217 99 GLN HG3 H 1.670 0.020 2 1119 217 99 GLN C C 175.208 0.3 1 1120 217 99 GLN CA C 58.636 0.3 1 1121 217 99 GLN CB C 28.115 0.3 1 1122 217 99 GLN CG C 32.230 0.3 1 1123 217 99 GLN N N 121.797 0.3 1 1124 217 99 GLN NE2 N 114.540 0.3 1 1125 218 100 TYR H H 8.472 0.020 1 1126 218 100 TYR HA H 2.989 0.020 1 1127 218 100 TYR HB2 H 3.042 0.020 2 1128 218 100 TYR HB3 H 2.735 0.020 2 1129 218 100 TYR HD1 H 6.223 0.020 1 1130 218 100 TYR HD2 H 6.223 0.020 1 1131 218 100 TYR HE1 H 6.441 0.020 1 1132 218 100 TYR HE2 H 6.441 0.020 1 1133 218 100 TYR C C 174.393 0.3 1 1134 218 100 TYR CA C 62.286 0.3 1 1135 218 100 TYR CB C 36.939 0.3 1 1136 218 100 TYR CD1 C 132.990 0.3 1 1137 218 100 TYR CE1 C 117.269 0.3 1 1138 218 100 TYR N N 119.862 0.3 1 1139 219 101 GLN H H 8.231 0.020 1 1140 219 101 GLN HA H 3.850 0.020 1 1141 219 101 GLN HB2 H 2.299 0.020 2 1142 219 101 GLN HB3 H 2.121 0.020 2 1143 219 101 GLN HE21 H 7.466 0.020 1 1144 219 101 GLN HE22 H 6.803 0.020 1 1145 219 101 GLN HG2 H 2.698 0.020 2 1146 219 101 GLN HG3 H 2.500 0.020 2 1147 219 101 GLN C C 176.507 0.3 1 1148 219 101 GLN CA C 58.694 0.3 1 1149 219 101 GLN CB C 27.634 0.3 1 1150 219 101 GLN CG C 33.755 0.3 1 1151 219 101 GLN N N 117.214 0.3 1 1152 219 101 GLN NE2 N 110.831 0.3 1 1153 220 102 ASN H H 8.387 0.020 1 1154 220 102 ASN HA H 4.416 0.020 1 1155 220 102 ASN HB2 H 2.870 0.020 2 1156 220 102 ASN HB3 H 2.847 0.020 2 1157 220 102 ASN HD21 H 7.288 0.020 1 1158 220 102 ASN HD22 H 6.911 0.020 1 1159 220 102 ASN C C 176.002 0.3 1 1160 220 102 ASN CA C 55.721 0.3 1 1161 220 102 ASN CB C 37.771 0.3 1 1162 220 102 ASN N N 118.662 0.3 1 1163 220 102 ASN ND2 N 110.637 0.3 1 1164 221 103 GLU H H 8.251 0.020 1 1165 221 103 GLU HA H 4.021 0.020 1 1166 221 103 GLU HB2 H 2.039 0.020 2 1167 221 103 GLU HB3 H 1.804 0.020 2 1168 221 103 GLU HG2 H 2.419 0.020 2 1169 221 103 GLU HG3 H 2.409 0.020 2 1170 221 103 GLU C C 176.161 0.3 1 1171 221 103 GLU CA C 57.984 0.3 1 1172 221 103 GLU CB C 29.687 0.3 1 1173 221 103 GLU CG C 35.430 0.3 1 1174 221 103 GLU N N 120.083 0.3 1 1175 222 104 TYR H H 8.865 0.020 1 1176 222 104 TYR HA H 3.761 0.020 1 1177 222 104 TYR HB2 H 2.761 0.020 2 1178 222 104 TYR HB3 H 2.334 0.020 2 1179 222 104 TYR HD1 H 6.869 0.020 1 1180 222 104 TYR HD2 H 6.869 0.020 1 1181 222 104 TYR HE1 H 6.767 0.020 1 1182 222 104 TYR HE2 H 6.767 0.020 1 1183 222 104 TYR C C 175.337 0.3 1 1184 222 104 TYR CA C 61.304 0.3 1 1185 222 104 TYR CB C 38.300 0.3 1 1186 222 104 TYR CD1 C 133.041 0.3 1 1187 222 104 TYR CE1 C 118.176 0.3 1 1188 222 104 TYR N N 122.456 0.3 1 1189 223 105 GLN H H 8.134 0.020 1 1190 223 105 GLN HA H 3.993 0.020 1 1191 223 105 GLN HB2 H 2.132 0.020 1 1192 223 105 GLN HB3 H 2.132 0.020 1 1193 223 105 GLN HE21 H 7.520 0.020 1 1194 223 105 GLN HE22 H 6.921 0.020 1 1195 223 105 GLN HG2 H 2.537 0.020 2 1196 223 105 GLN HG3 H 2.466 0.020 2 1197 223 105 GLN C C 175.666 0.3 1 1198 223 105 GLN CA C 57.887 0.3 1 1199 223 105 GLN CB C 28.370 0.3 1 1200 223 105 GLN CG C 33.940 0.3 1 1201 223 105 GLN N N 117.912 0.3 1 1202 223 105 GLN NE2 N 111.780 0.3 1 1203 224 106 ALA H H 7.659 0.020 1 1204 224 106 ALA HA H 4.114 0.020 1 1205 224 106 ALA HB H 1.459 0.020 1 1206 224 106 ALA C C 176.392 0.3 1 1207 224 106 ALA CA C 53.974 0.3 1 1208 224 106 ALA CB C 18.329 0.3 1 1209 224 106 ALA N N 121.464 0.3 1 1210 225 107 ALA H H 7.643 0.020 1 1211 225 107 ALA HA H 4.171 0.020 1 1212 225 107 ALA HB H 1.366 0.020 1 1213 225 107 ALA C C 175.997 0.3 1 1214 225 107 ALA CA C 53.136 0.3 1 1215 225 107 ALA CB C 18.422 0.3 1 1216 225 107 ALA N N 120.150 0.3 1 1217 226 108 GLN H H 7.646 0.020 1 1218 226 108 GLN HA H 4.043 0.020 1 1219 226 108 GLN HB2 H 2.009 0.020 2 1220 226 108 GLN HB3 H 1.896 0.020 2 1221 226 108 GLN HE21 H 7.031 0.020 1 1222 226 108 GLN HE22 H 6.733 0.020 1 1223 226 108 GLN HG2 H 2.190 0.020 2 1224 226 108 GLN HG3 H 2.167 0.020 2 1225 226 108 GLN C C 173.820 0.3 1 1226 226 108 GLN CA C 55.968 0.3 1 1227 226 108 GLN CB C 28.605 0.3 1 1228 226 108 GLN CG C 33.444 0.3 1 1229 226 108 GLN N N 116.758 0.3 1 1230 226 108 GLN NE2 N 112.999 0.3 1 1231 227 109 ARG H H 7.734 0.020 1 1232 227 109 ARG HA H 4.178 0.020 1 1233 227 109 ARG HB2 H 1.625 0.020 2 1234 227 109 ARG HB3 H 1.644 0.020 2 1235 227 109 ARG HD2 H 3.106 0.020 2 1236 227 109 ARG HD3 H 3.093 0.020 2 1237 227 109 ARG HE H 7.116 0.020 1 1238 227 109 ARG HG2 H 1.460 0.020 2 1239 227 109 ARG HG3 H 1.422 0.020 2 1240 227 109 ARG C C 173.336 0.3 1 1241 227 109 ARG CA C 56.205 0.3 1 1242 227 109 ARG CB C 30.454 0.3 1 1243 227 109 ARG CD C 43.230 0.3 1 1244 227 109 ARG CG C 26.853 0.3 1 1245 227 109 ARG N N 119.759 0.3 1 1246 227 109 ARG NE N 84.699 0.3 1 1247 228 110 TYR H H 7.902 0.020 1 1248 228 110 TYR HA H 4.488 0.020 1 1249 228 110 TYR HB2 H 2.957 0.020 2 1250 228 110 TYR HB3 H 2.798 0.020 2 1251 228 110 TYR HD1 H 7.002 0.020 1 1252 228 110 TYR HD2 H 7.002 0.020 1 1253 228 110 TYR HE1 H 6.774 0.020 1 1254 228 110 TYR HE2 H 6.774 0.020 1 1255 228 110 TYR C C 172.918 0.3 1 1256 228 110 TYR CA C 57.778 0.3 1 1257 228 110 TYR CB C 38.709 0.3 1 1258 228 110 TYR CD1 C 133.103 0.3 1 1259 228 110 TYR CE1 C 118.072 0.3 1 1260 228 110 TYR N N 119.857 0.3 1 1261 229 111 TYR H H 7.995 0.020 1 1262 229 111 TYR HA H 4.580 0.020 1 1263 229 111 TYR HB2 H 3.119 0.020 2 1264 229 111 TYR HB3 H 2.863 0.020 2 1265 229 111 TYR HD1 H 7.105 0.020 1 1266 229 111 TYR HD2 H 7.105 0.020 1 1267 229 111 TYR HE1 H 6.804 0.020 1 1268 229 111 TYR HE2 H 6.804 0.020 1 1269 229 111 TYR C C 172.174 0.3 1 1270 229 111 TYR CA C 57.472 0.3 1 1271 229 111 TYR CB C 38.804 0.3 1 1272 229 111 TYR CD1 C 133.299 0.3 1 1273 229 111 TYR CE1 C 118.080 0.3 1 1274 229 111 TYR N N 120.660 0.3 1 1275 230 112 ASN H H 7.910 0.020 1 1276 230 112 ASN HA H 4.475 0.020 1 1277 230 112 ASN HB2 H 2.767 0.020 2 1278 230 112 ASN HB3 H 2.672 0.020 2 1279 230 112 ASN HD21 H 7.518 0.020 1 1280 230 112 ASN HD22 H 6.832 0.020 1 1281 230 112 ASN C C 176.652 0.3 1 1282 230 112 ASN CA C 54.431 0.3 1 1283 230 112 ASN CB C 40.317 0.3 1 1284 230 112 ASN N N 124.529 0.3 1 1285 230 112 ASN ND2 N 112.570 0.3 1 stop_ save_