data_25294 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the protein NP_809137.1 from Bacteroides thetaiotaomicron ; _BMRB_accession_number 25294 _BMRB_flat_file_name bmr25294.str _Entry_type original _Submission_date 2014-10-27 _Accession_date 2014-10-27 _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 Proudfoot Andrew . . 2 Serrano Pedro . . 3 Geralt Michael . . 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" 668 "13C chemical shifts" 384 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-10 original author . stop_ _Original_release_date 2014-11-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the protein YP_002937094.1 from Eubacterium rectale' _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 Proudfoot Andrew . . 2 Wuthrich Kurt . . 3 Serrano Pedro . . 4 Geralt Michael . . 5 Dutta Samit K. . 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 'NP_809137.1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $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 13189.811 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GCELSDPDGLADPMKWSKVP SGLKNGELKVEAEGGSSLFA CKNYKSFWISSVKEEGKFKE NTSYKEFDGGWYLVKIEDNE LKVIINRNETNASRSFTVCV EAGNAFDEFKFVQDAAKQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 CYS 3 GLU 4 LEU 5 SER 6 ASP 7 PRO 8 ASP 9 GLY 10 LEU 11 ALA 12 ASP 13 PRO 14 MET 15 LYS 16 TRP 17 SER 18 LYS 19 VAL 20 PRO 21 SER 22 GLY 23 LEU 24 LYS 25 ASN 26 GLY 27 GLU 28 LEU 29 LYS 30 VAL 31 GLU 32 ALA 33 GLU 34 GLY 35 GLY 36 SER 37 SER 38 LEU 39 PHE 40 ALA 41 CYS 42 LYS 43 ASN 44 TYR 45 LYS 46 SER 47 PHE 48 TRP 49 ILE 50 SER 51 SER 52 VAL 53 LYS 54 GLU 55 GLU 56 GLY 57 LYS 58 PHE 59 LYS 60 GLU 61 ASN 62 THR 63 SER 64 TYR 65 LYS 66 GLU 67 PHE 68 ASP 69 GLY 70 GLY 71 TRP 72 TYR 73 LEU 74 VAL 75 LYS 76 ILE 77 GLU 78 ASP 79 ASN 80 GLU 81 LEU 82 LYS 83 VAL 84 ILE 85 ILE 86 ASN 87 ARG 88 ASN 89 GLU 90 THR 91 ASN 92 ALA 93 SER 94 ARG 95 SER 96 PHE 97 THR 98 VAL 99 CYS 100 VAL 101 GLU 102 ALA 103 GLY 104 ASN 105 ALA 106 PHE 107 ASP 108 GLU 109 PHE 110 LYS 111 PHE 112 VAL 113 GLN 114 ASP 115 ALA 116 ALA 117 LYS 118 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-21 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 2MW1 "Nmr Structure Of The Protein Np_809137.1 From Bacteroides Thetaiotaomicron" 100.00 118 100.00 100.00 1.02e-78 GB AAO75331 "Lipocalin-like protein [Bacteroides thetaiotaomicron VPI-5482]" 99.15 134 100.00 100.00 2.71e-78 REF NP_809137 "hypothetical protein BT_0224 [Bacteroides thetaiotaomicron VPI-5482]" 99.15 134 100.00 100.00 2.71e-78 REF WP_011107173 "hypothetical protein [Bacteroides thetaiotaomicron]" 99.15 134 100.00 100.00 2.71e-78 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 'CFB group bacteria' 818 Bacteria . Bacteroides thetaiotaomicron 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 . Pspeedet 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 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' DTT 5 mM '[U-99% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement 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_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_MDDNMR _Saveframe_category software _Name MDDNMR _Version . loop_ _Vendor _Address _Electronic_address 'Maxim Mayzel, Vladislav Orekhov' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_APSY_4D-HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _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 temperature 298 . K pH 6.0 . pH pressure 1 . atm 'ionic strength' 0.220 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' 'APSY 4D-HACANH' 'APSY 5D-CBCACONH' 'APSY 5D-HACACONH' 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 entity _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 5 5 SER H H 8.148 0.025 . 2 5 5 SER HA H 4.349 0.025 . 3 5 5 SER HB2 H 3.749 0.025 . 4 5 5 SER HB3 H 3.749 0.025 . 5 5 5 SER CA C 55.478 0.148 . 6 5 5 SER CB C 61.191 0.148 . 7 5 5 SER N N 116.267 0.125 . 8 6 6 ASP H H 8.246 0.025 . 9 6 6 ASP HA H 4.827 0.025 . 10 6 6 ASP HB2 H 2.475 0.025 . 11 6 6 ASP HB3 H 2.660 0.025 . 12 6 6 ASP CA C 49.671 0.148 . 13 6 6 ASP CB C 38.656 0.148 . 14 6 6 ASP N N 123.039 0.125 . 15 7 7 PRO HA H 4.317 0.025 . 16 7 7 PRO HB2 H 1.902 0.025 . 17 7 7 PRO HB3 H 2.215 0.025 . 18 7 7 PRO HG2 H 1.940 0.025 . 19 7 7 PRO HG3 H 1.940 0.025 . 20 7 7 PRO HD2 H 3.728 0.025 . 21 7 7 PRO HD3 H 3.728 0.025 . 22 7 7 PRO CA C 61.147 0.148 . 23 7 7 PRO CB C 29.478 0.148 . 24 7 7 PRO CG C 24.716 0.148 . 25 7 7 PRO CD C 48.017 0.148 . 26 8 8 ASP H H 8.314 0.025 . 27 8 8 ASP HA H 4.565 0.025 . 28 8 8 ASP HB2 H 2.665 0.025 . 29 8 8 ASP HB3 H 2.570 0.025 . 30 8 8 ASP CA C 51.860 0.148 . 31 8 8 ASP CB C 38.725 0.148 . 32 8 8 ASP N N 119.159 0.125 . 33 9 9 GLY H H 8.043 0.025 . 34 9 9 GLY HA3 H 3.912 0.025 . 35 9 9 GLY CA C 43.136 0.148 . 36 9 9 GLY N N 108.837 0.125 . 37 10 10 LEU H H 8.047 0.025 . 38 10 10 LEU HA H 4.267 0.025 . 39 10 10 LEU HB2 H 1.578 0.025 . 40 10 10 LEU HB3 H 1.510 0.025 . 41 10 10 LEU HG H 1.534 0.025 . 42 10 10 LEU HD1 H 0.848 0.025 . 43 10 10 LEU HD2 H 0.789 0.025 . 44 10 10 LEU CA C 52.391 0.148 . 45 10 10 LEU CB C 39.863 0.148 . 46 10 10 LEU CG C 24.385 0.148 . 47 10 10 LEU CD1 C 22.403 0.148 . 48 10 10 LEU CD2 C 20.888 0.148 . 49 10 10 LEU N N 121.571 0.125 . 50 11 11 ALA H H 8.330 0.025 . 51 11 11 ALA HA H 4.336 0.025 . 52 11 11 ALA HB H 1.265 0.025 . 53 11 11 ALA CA C 48.984 0.148 . 54 11 11 ALA CB C 17.182 0.148 . 55 11 11 ALA N N 125.169 0.125 . 56 12 12 ASP H H 8.187 0.025 . 57 12 12 ASP HA H 4.736 0.025 . 58 12 12 ASP HB2 H 2.402 0.025 . 59 12 12 ASP HB3 H 2.506 0.025 . 60 12 12 ASP CA C 49.702 0.148 . 61 12 12 ASP CB C 37.831 0.148 . 62 12 12 ASP N N 122.672 0.125 . 63 13 13 PRO HA H 4.304 0.025 . 64 13 13 PRO HB2 H 1.654 0.025 . 65 13 13 PRO HB3 H 2.255 0.025 . 66 13 13 PRO HG2 H 1.944 0.025 . 67 13 13 PRO HG3 H 1.883 0.025 . 68 13 13 PRO HD2 H 3.857 0.025 . 69 13 13 PRO HD3 H 3.619 0.025 . 70 13 13 PRO CA C 59.600 0.148 . 71 13 13 PRO CB C 29.516 0.148 . 72 13 13 PRO CG C 24.801 0.148 . 73 13 13 PRO CD C 47.977 0.148 . 74 14 14 MET H H 8.720 0.025 . 75 14 14 MET HA H 3.780 0.025 . 76 14 14 MET HB2 H 1.714 0.025 . 77 14 14 MET HB3 H 1.782 0.025 . 78 14 14 MET HG2 H 2.172 0.025 . 79 14 14 MET HG3 H 1.249 0.025 . 80 14 14 MET HE H 1.129 0.025 . 81 14 14 MET CA C 55.822 0.148 . 82 14 14 MET CB C 30.909 0.148 . 83 14 14 MET CG C 30.787 0.148 . 84 14 14 MET CE C 16.001 0.148 . 85 14 14 MET N N 120.151 0.125 . 86 15 15 LYS H H 8.565 0.025 . 87 15 15 LYS HA H 4.457 0.025 . 88 15 15 LYS HB2 H 1.565 0.025 . 89 15 15 LYS HB3 H 1.177 0.025 . 90 15 15 LYS HG2 H 1.212 0.025 . 91 15 15 LYS HG3 H 1.212 0.025 . 92 15 15 LYS HD2 H 1.425 0.025 . 93 15 15 LYS HD3 H 1.425 0.025 . 94 15 15 LYS HE2 H 2.814 0.025 . 95 15 15 LYS HE3 H 2.814 0.025 . 96 15 15 LYS CA C 51.407 0.148 . 97 15 15 LYS CB C 32.453 0.148 . 98 15 15 LYS CG C 22.161 0.148 . 99 15 15 LYS CD C 26.660 0.148 . 100 15 15 LYS CE C 39.562 0.148 . 101 15 15 LYS N N 123.897 0.125 . 102 16 16 TRP H H 9.036 0.025 . 103 16 16 TRP HA H 5.075 0.025 . 104 16 16 TRP HB2 H 2.889 0.025 . 105 16 16 TRP HB3 H 3.244 0.025 . 106 16 16 TRP HD1 H 7.225 0.025 . 107 16 16 TRP HE1 H 10.857 0.025 . 108 16 16 TRP HE3 H 7.361 0.025 . 109 16 16 TRP HZ2 H 7.057 0.025 . 110 16 16 TRP HZ3 H 6.640 0.025 . 111 16 16 TRP HH2 H 5.893 0.025 . 112 16 16 TRP CA C 53.652 0.148 . 113 16 16 TRP CB C 28.000 0.148 . 114 16 16 TRP CD1 C 125.694 0.148 . 115 16 16 TRP CE3 C 116.724 0.148 . 116 16 16 TRP CZ2 C 111.053 0.148 . 117 16 16 TRP CZ3 C 118.286 0.148 . 118 16 16 TRP CH2 C 120.053 0.148 . 119 16 16 TRP N N 125.776 0.125 . 120 16 16 TRP NE1 N 131.684 0.125 . 121 17 17 SER H H 9.093 0.025 . 122 17 17 SER HA H 4.403 0.025 . 123 17 17 SER HB2 H 3.928 0.025 . 124 17 17 SER HB3 H 3.633 0.025 . 125 17 17 SER CA C 56.167 0.148 . 126 17 17 SER CB C 60.833 0.148 . 127 17 17 SER N N 120.772 0.125 . 128 18 18 LYS H H 7.652 0.025 . 129 18 18 LYS HA H 4.718 0.025 . 130 18 18 LYS HB2 H 1.670 0.025 . 131 18 18 LYS HB3 H 1.670 0.025 . 132 18 18 LYS HG2 H 1.290 0.025 . 133 18 18 LYS HG3 H 1.344 0.025 . 134 18 18 LYS HD2 H 1.515 0.025 . 135 18 18 LYS HD3 H 1.515 0.025 . 136 18 18 LYS HE2 H 2.840 0.025 . 137 18 18 LYS HE3 H 2.840 0.025 . 138 18 18 LYS CA C 53.735 0.148 . 139 18 18 LYS CB C 32.917 0.148 . 140 18 18 LYS CG C 22.051 0.148 . 141 18 18 LYS CD C 26.793 0.148 . 142 18 18 LYS CE C 39.704 0.148 . 143 18 18 LYS N N 121.096 0.125 . 144 19 19 VAL H H 8.032 0.025 . 145 19 19 VAL HA H 4.423 0.025 . 146 19 19 VAL HB H 1.740 0.025 . 147 19 19 VAL HG1 H 0.861 0.025 . 148 19 19 VAL HG2 H 0.675 0.025 . 149 19 19 VAL CA C 55.230 0.148 . 150 19 19 VAL CB C 31.026 0.148 . 151 19 19 VAL CG1 C 20.332 0.148 . 152 19 19 VAL CG2 C 15.475 0.148 . 153 19 19 VAL N N 116.358 0.125 . 154 20 20 PRO HA H 4.303 0.025 . 155 20 20 PRO HB2 H 2.218 0.025 . 156 20 20 PRO HB3 H 1.530 0.025 . 157 20 20 PRO HG2 H 1.319 0.025 . 158 20 20 PRO HG3 H 1.319 0.025 . 159 20 20 PRO HD2 H 2.281 0.025 . 160 20 20 PRO HD3 H 2.084 0.025 . 161 20 20 PRO CA C 59.770 0.148 . 162 20 20 PRO CB C 29.553 0.148 . 163 20 20 PRO CG C 26.311 0.148 . 164 20 20 PRO CD C 47.054 0.148 . 165 21 21 SER H H 8.660 0.025 . 166 21 21 SER HA H 4.084 0.025 . 167 21 21 SER HB2 H 3.830 0.025 . 168 21 21 SER HB3 H 3.830 0.025 . 169 21 21 SER CA C 57.657 0.148 . 170 21 21 SER CB C 60.173 0.148 . 171 21 21 SER N N 118.882 0.125 . 172 22 22 GLY H H 8.496 0.025 . 173 22 22 GLY HA3 H 3.808 0.025 . 174 22 22 GLY CA C 42.404 0.148 . 175 22 22 GLY N N 109.523 0.125 . 176 23 23 LEU H H 7.188 0.025 . 177 23 23 LEU HA H 4.034 0.025 . 178 23 23 LEU HB2 H 1.752 0.025 . 179 23 23 LEU HB3 H 1.022 0.025 . 180 23 23 LEU HG H 1.372 0.025 . 181 23 23 LEU HD1 H 0.650 0.025 . 182 23 23 LEU HD2 H 0.830 0.025 . 183 23 23 LEU CA C 53.603 0.148 . 184 23 23 LEU CB C 40.071 0.148 . 185 23 23 LEU CG C 24.282 0.148 . 186 23 23 LEU CD1 C 21.673 0.148 . 187 23 23 LEU CD2 C 24.312 0.148 . 188 23 23 LEU N N 123.003 0.125 . 189 24 24 LYS H H 8.725 0.025 . 190 24 24 LYS HA H 4.510 0.025 . 191 24 24 LYS HB2 H 1.748 0.025 . 192 24 24 LYS HB3 H 1.652 0.025 . 193 24 24 LYS CA C 53.237 0.148 . 194 24 24 LYS CB C 32.161 0.148 . 195 24 24 LYS N N 129.004 0.125 . 196 25 25 ASN H H 9.528 0.025 . 197 25 25 ASN HA H 4.324 0.025 . 198 25 25 ASN HB2 H 2.961 0.025 . 199 25 25 ASN HB3 H 2.726 0.025 . 200 25 25 ASN HD21 H 6.835 0.025 . 201 25 25 ASN HD22 H 7.631 0.025 . 202 25 25 ASN CA C 51.620 0.148 . 203 25 25 ASN CB C 34.985 0.148 . 204 25 25 ASN N N 126.336 0.125 . 205 25 25 ASN ND2 N 113.017 0.125 . 206 26 26 GLY H H 8.601 0.025 . 207 26 26 GLY HA3 H 4.080 0.025 . 208 26 26 GLY CA C 43.549 0.148 . 209 26 26 GLY N N 103.076 0.125 . 210 27 27 GLU H H 7.760 0.025 . 211 27 27 GLU HA H 5.202 0.025 . 212 27 27 GLU HB2 H 1.867 0.025 . 213 27 27 GLU HB3 H 1.758 0.025 . 214 27 27 GLU HG2 H 1.775 0.025 . 215 27 27 GLU HG3 H 1.864 0.025 . 216 27 27 GLU CA C 51.233 0.148 . 217 27 27 GLU CB C 30.761 0.148 . 218 27 27 GLU CG C 34.523 0.148 . 219 27 27 GLU N N 120.878 0.125 . 220 28 28 LEU H H 8.899 0.025 . 221 28 28 LEU HA H 4.555 0.025 . 222 28 28 LEU HB2 H 1.574 0.025 . 223 28 28 LEU HB3 H 0.633 0.025 . 224 28 28 LEU HD1 H 0.650 0.025 . 225 28 28 LEU HD2 H 0.565 0.025 . 226 28 28 LEU CA C 50.324 0.148 . 227 28 28 LEU CB C 43.517 0.148 . 228 28 28 LEU CG C 24.127 0.148 . 229 28 28 LEU CD1 C 21.259 0.148 . 230 28 28 LEU CD2 C 21.739 0.148 . 231 28 28 LEU N N 128.583 0.125 . 232 29 29 LYS H H 8.270 0.025 . 233 29 29 LYS HA H 4.901 0.025 . 234 29 29 LYS HB2 H 1.657 0.025 . 235 29 29 LYS HB3 H 1.733 0.025 . 236 29 29 LYS HG2 H 1.454 0.025 . 237 29 29 LYS HG3 H 1.215 0.025 . 238 29 29 LYS HD2 H 1.606 0.025 . 239 29 29 LYS HD3 H 1.606 0.025 . 240 29 29 LYS HE2 H 2.914 0.025 . 241 29 29 LYS HE3 H 2.914 0.025 . 242 29 29 LYS CA C 52.839 0.148 . 243 29 29 LYS CB C 29.523 0.148 . 244 29 29 LYS CG C 22.032 0.148 . 245 29 29 LYS CD C 26.450 0.148 . 246 29 29 LYS CE C 39.278 0.148 . 247 29 29 LYS N N 127.554 0.125 . 248 30 30 VAL H H 9.016 0.025 . 249 30 30 VAL HA H 4.184 0.025 . 250 30 30 VAL HB H 1.633 0.025 . 251 30 30 VAL HG1 H 1.163 0.025 . 252 30 30 VAL HG2 H 0.950 0.025 . 253 30 30 VAL CA C 58.308 0.148 . 254 30 30 VAL CB C 32.270 0.148 . 255 30 30 VAL CG1 C 17.417 0.148 . 256 30 30 VAL CG2 C 18.386 0.148 . 257 30 30 VAL N N 127.915 0.125 . 258 31 31 GLU H H 8.741 0.025 . 259 31 31 GLU HA H 4.361 0.025 . 260 31 31 GLU HB2 H 2.047 0.025 . 261 31 31 GLU HB3 H 2.474 0.025 . 262 31 31 GLU HG2 H 2.456 0.025 . 263 31 31 GLU HG3 H 2.407 0.025 . 264 31 31 GLU CA C 54.100 0.148 . 265 31 31 GLU CB C 27.703 0.148 . 266 31 31 GLU CG C 34.464 0.148 . 267 31 31 GLU N N 125.151 0.125 . 268 32 32 ALA H H 9.555 0.025 . 269 32 32 ALA HA H 4.016 0.025 . 270 32 32 ALA HB H 1.379 0.025 . 271 32 32 ALA CA C 53.127 0.148 . 272 32 32 ALA CB C 15.266 0.148 . 273 32 32 ALA N N 126.271 0.125 . 274 33 33 GLU H H 8.358 0.025 . 275 33 33 GLU HA H 3.965 0.025 . 276 33 33 GLU HB2 H 2.054 0.025 . 277 33 33 GLU HB3 H 1.992 0.025 . 278 33 33 GLU HG2 H 2.354 0.025 . 279 33 33 GLU HG3 H 2.291 0.025 . 280 33 33 GLU CA C 55.985 0.148 . 281 33 33 GLU CB C 26.929 0.148 . 282 33 33 GLU CG C 33.787 0.148 . 283 33 33 GLU N N 113.076 0.125 . 284 34 34 GLY H H 7.619 0.025 . 285 34 34 GLY HA3 H 3.180 0.025 . 286 34 34 GLY CA C 40.707 0.148 . 287 34 34 GLY N N 104.905 0.125 . 288 35 35 GLY H H 8.592 0.025 . 289 35 35 GLY HA3 H 4.003 0.025 . 290 35 35 GLY CA C 42.988 0.148 . 291 35 35 GLY N N 105.946 0.125 . 292 36 36 SER H H 8.560 0.025 . 293 36 36 SER HA H 5.539 0.025 . 294 36 36 SER HB2 H 3.732 0.025 . 295 36 36 SER HB3 H 3.732 0.025 . 296 36 36 SER CA C 54.323 0.148 . 297 36 36 SER CB C 62.808 0.148 . 298 36 36 SER N N 116.044 0.125 . 299 37 37 SER H H 9.251 0.025 . 300 37 37 SER HA H 4.712 0.025 . 301 37 37 SER HB2 H 3.571 0.025 . 302 37 37 SER HB3 H 3.505 0.025 . 303 37 37 SER CA C 55.548 0.148 . 304 37 37 SER CB C 63.943 0.148 . 305 37 37 SER N N 119.501 0.125 . 306 38 38 LEU H H 7.902 0.025 . 307 38 38 LEU HA H 5.253 0.025 . 308 38 38 LEU HB2 H 1.375 0.025 . 309 38 38 LEU HB3 H 1.443 0.025 . 310 38 38 LEU HG H 1.363 0.025 . 311 38 38 LEU HD1 H 0.753 0.025 . 312 38 38 LEU HD2 H 0.832 0.025 . 313 38 38 LEU CA C 51.782 0.148 . 314 38 38 LEU CB C 42.834 0.148 . 315 38 38 LEU CG C 25.430 0.148 . 316 38 38 LEU CD1 C 22.485 0.148 . 317 38 38 LEU CD2 C 22.645 0.148 . 318 38 38 LEU N N 125.962 0.125 . 319 39 39 PHE H H 9.290 0.025 . 320 39 39 PHE HA H 5.139 0.025 . 321 39 39 PHE HB2 H 2.891 0.025 . 322 39 39 PHE HB3 H 2.501 0.025 . 323 39 39 PHE HD1 H 6.392 0.025 . 324 39 39 PHE HD2 H 6.392 0.025 . 325 39 39 PHE HE1 H 6.354 0.025 . 326 39 39 PHE HE2 H 6.354 0.025 . 327 39 39 PHE HZ H 6.418 0.025 . 328 39 39 PHE CA C 52.131 0.148 . 329 39 39 PHE CB C 38.952 0.148 . 330 39 39 PHE CD1 C 128.910 0.148 . 331 39 39 PHE CD2 C 128.910 0.148 . 332 39 39 PHE CE1 C 126.665 0.148 . 333 39 39 PHE CE2 C 126.665 0.148 . 334 39 39 PHE N N 124.707 0.125 . 335 40 40 ALA H H 9.328 0.025 . 336 40 40 ALA HA H 5.635 0.025 . 337 40 40 ALA HB H 1.416 0.025 . 338 40 40 ALA CA C 48.301 0.148 . 339 40 40 ALA CB C 19.446 0.148 . 340 40 40 ALA N N 124.994 0.125 . 341 41 41 CYS H H 9.370 0.025 . 342 41 41 CYS HA H 4.146 0.025 . 343 41 41 CYS HB2 H 2.713 0.025 . 344 41 41 CYS HB3 H 2.265 0.025 . 345 41 41 CYS CA C 56.465 0.148 . 346 41 41 CYS CB C 25.973 0.148 . 347 41 41 CYS N N 125.757 0.125 . 348 42 42 LYS H H 9.261 0.025 . 349 42 42 LYS HA H 4.260 0.025 . 350 42 42 LYS HB2 H 1.367 0.025 . 351 42 42 LYS HB3 H 1.659 0.025 . 352 42 42 LYS HG2 H 1.200 0.025 . 353 42 42 LYS HG3 H 1.200 0.025 . 354 42 42 LYS HE2 H 2.815 0.025 . 355 42 42 LYS HE3 H 2.815 0.025 . 356 42 42 LYS CA C 54.851 0.148 . 357 42 42 LYS CB C 32.107 0.148 . 358 42 42 LYS CG C 21.876 0.148 . 359 42 42 LYS N N 129.019 0.125 . 360 43 43 ASN H H 8.500 0.025 . 361 43 43 ASN HA H 4.525 0.025 . 362 43 43 ASN HB2 H 2.634 0.025 . 363 43 43 ASN HB3 H 2.344 0.025 . 364 43 43 ASN HD21 H 7.422 0.025 . 365 43 43 ASN HD22 H 7.350 0.025 . 366 43 43 ASN CA C 50.235 0.148 . 367 43 43 ASN CB C 34.861 0.148 . 368 43 43 ASN N N 113.240 0.125 . 369 43 43 ASN ND2 N 113.266 0.125 . 370 44 44 TYR H H 7.331 0.025 . 371 44 44 TYR HA H 4.557 0.025 . 372 44 44 TYR HB2 H 2.663 0.025 . 373 44 44 TYR HB3 H 2.886 0.025 . 374 44 44 TYR HD1 H 6.849 0.025 . 375 44 44 TYR HD2 H 6.849 0.025 . 376 44 44 TYR HE1 H 6.404 0.025 . 377 44 44 TYR HE2 H 6.404 0.025 . 378 44 44 TYR CA C 55.718 0.148 . 379 44 44 TYR CB C 37.372 0.148 . 380 44 44 TYR CD1 C 130.260 0.148 . 381 44 44 TYR CD2 C 130.255 0.148 . 382 44 44 TYR CE1 C 114.520 0.148 . 383 44 44 TYR CE2 C 114.518 0.148 . 384 44 44 TYR N N 119.335 0.125 . 385 45 45 LYS H H 8.586 0.025 . 386 45 45 LYS HA H 4.036 0.025 . 387 45 45 LYS HB2 H 1.786 0.025 . 388 45 45 LYS HB3 H 1.718 0.025 . 389 45 45 LYS HG2 H 1.373 0.025 . 390 45 45 LYS HG3 H 1.409 0.025 . 391 45 45 LYS HD2 H 1.591 0.025 . 392 45 45 LYS HD3 H 1.591 0.025 . 393 45 45 LYS HE2 H 2.916 0.025 . 394 45 45 LYS HE3 H 2.916 0.025 . 395 45 45 LYS CA C 54.538 0.148 . 396 45 45 LYS CB C 30.233 0.148 . 397 45 45 LYS CG C 22.279 0.148 . 398 45 45 LYS CD C 26.678 0.148 . 399 45 45 LYS CE C 39.560 0.148 . 400 45 45 LYS N N 120.676 0.125 . 401 46 46 SER H H 7.473 0.025 . 402 46 46 SER HA H 4.388 0.025 . 403 46 46 SER HB2 H 3.585 0.025 . 404 46 46 SER HB3 H 3.682 0.025 . 405 46 46 SER CA C 53.664 0.148 . 406 46 46 SER CB C 61.810 0.148 . 407 46 46 SER N N 108.797 0.125 . 408 47 47 PHE H H 7.571 0.025 . 409 47 47 PHE HA H 4.642 0.025 . 410 47 47 PHE HB2 H 2.726 0.025 . 411 47 47 PHE HB3 H 2.875 0.025 . 412 47 47 PHE HD1 H 6.717 0.025 . 413 47 47 PHE HD2 H 6.717 0.025 . 414 47 47 PHE HE1 H 7.149 0.025 . 415 47 47 PHE HE2 H 7.149 0.025 . 416 47 47 PHE HZ H 7.257 0.025 . 417 47 47 PHE CA C 53.617 0.148 . 418 47 47 PHE CB C 37.101 0.148 . 419 47 47 PHE CD1 C 129.050 0.148 . 420 47 47 PHE CD2 C 129.046 0.148 . 421 47 47 PHE CE1 C 127.970 0.148 . 422 47 47 PHE CE2 C 127.969 0.148 . 423 47 47 PHE CZ C 125.910 0.148 . 424 47 47 PHE N N 117.325 0.125 . 425 48 48 TRP H H 8.794 0.025 . 426 48 48 TRP HA H 5.235 0.025 . 427 48 48 TRP HB2 H 3.250 0.025 . 428 48 48 TRP HB3 H 3.155 0.025 . 429 48 48 TRP HD1 H 6.925 0.025 . 430 48 48 TRP HE1 H 10.094 0.025 . 431 48 48 TRP HE3 H 7.282 0.025 . 432 48 48 TRP HZ2 H 7.259 0.025 . 433 48 48 TRP HZ3 H 6.918 0.025 . 434 48 48 TRP HH2 H 6.983 0.025 . 435 48 48 TRP CA C 53.492 0.148 . 436 48 48 TRP CB C 29.895 0.148 . 437 48 48 TRP CD1 C 123.758 0.148 . 438 48 48 TRP CE3 C 118.278 0.148 . 439 48 48 TRP CZ2 C 111.168 0.148 . 440 48 48 TRP CZ3 C 118.316 0.148 . 441 48 48 TRP CH2 C 120.576 0.148 . 442 48 48 TRP N N 117.090 0.125 . 443 48 48 TRP NE1 N 130.281 0.125 . 444 49 49 ILE H H 9.120 0.025 . 445 49 49 ILE HA H 4.031 0.025 . 446 49 49 ILE HB H 1.920 0.025 . 447 49 49 ILE HG12 H 1.803 0.025 . 448 49 49 ILE HG13 H 0.569 0.025 . 449 49 49 ILE HG2 H 0.704 0.025 . 450 49 49 ILE HD1 H 0.922 0.025 . 451 49 49 ILE CA C 60.473 0.148 . 452 49 49 ILE CB C 36.436 0.148 . 453 49 49 ILE CG1 C 25.888 0.148 . 454 49 49 ILE CG2 C 15.145 0.148 . 455 49 49 ILE CD1 C 13.627 0.148 . 456 49 49 ILE N N 119.682 0.125 . 457 50 50 SER H H 9.360 0.025 . 458 50 50 SER HA H 4.708 0.025 . 459 50 50 SER HB2 H 3.001 0.025 . 460 50 50 SER HB3 H 2.851 0.025 . 461 50 50 SER CA C 56.110 0.148 . 462 50 50 SER CB C 63.816 0.148 . 463 50 50 SER N N 124.071 0.125 . 464 51 51 SER H H 7.821 0.025 . 465 51 51 SER HA H 4.557 0.025 . 466 51 51 SER HB2 H 3.940 0.025 . 467 51 51 SER HB3 H 3.746 0.025 . 468 51 51 SER CA C 55.564 0.148 . 469 51 51 SER CB C 62.821 0.148 . 470 51 51 SER N N 111.253 0.125 . 471 52 52 VAL H H 8.677 0.025 . 472 52 52 VAL HA H 4.731 0.025 . 473 52 52 VAL HB H 1.079 0.025 . 474 52 52 VAL HG1 H 0.749 0.025 . 475 52 52 VAL HG2 H 0.487 0.025 . 476 52 52 VAL CA C 59.126 0.148 . 477 52 52 VAL CB C 32.500 0.148 . 478 52 52 VAL CG1 C 19.563 0.148 . 479 52 52 VAL CG2 C 18.596 0.148 . 480 52 52 VAL N N 121.147 0.125 . 481 53 53 LYS H H 8.875 0.025 . 482 53 53 LYS HA H 5.007 0.025 . 483 53 53 LYS HB2 H 1.347 0.025 . 484 53 53 LYS HB3 H 1.347 0.025 . 485 53 53 LYS HG2 H 0.725 0.025 . 486 53 53 LYS HG3 H 0.725 0.025 . 487 53 53 LYS HD2 H 1.106 0.025 . 488 53 53 LYS HD3 H 1.106 0.025 . 489 53 53 LYS HE2 H 2.294 0.025 . 490 53 53 LYS HE3 H 2.217 0.025 . 491 53 53 LYS CA C 51.723 0.148 . 492 53 53 LYS CB C 33.772 0.148 . 493 53 53 LYS CG C 22.234 0.148 . 494 53 53 LYS CD C 26.837 0.148 . 495 53 53 LYS CE C 38.964 0.148 . 496 53 53 LYS N N 126.128 0.125 . 497 54 54 GLU H H 8.752 0.025 . 498 54 54 GLU HA H 4.758 0.025 . 499 54 54 GLU HB2 H 2.042 0.025 . 500 54 54 GLU HB3 H 2.086 0.025 . 501 54 54 GLU CA C 53.259 0.148 . 502 54 54 GLU CB C 31.059 0.148 . 503 54 54 GLU CG C 33.727 0.148 . 504 54 54 GLU N N 124.160 0.125 . 505 55 55 GLU H H 9.537 0.025 . 506 55 55 GLU HA H 3.908 0.025 . 507 55 55 GLU HB2 H 2.089 0.025 . 508 55 55 GLU HB3 H 2.270 0.025 . 509 55 55 GLU HG2 H 2.363 0.025 . 510 55 55 GLU HG3 H 2.457 0.025 . 511 55 55 GLU CA C 54.546 0.148 . 512 55 55 GLU CB C 25.294 0.148 . 513 55 55 GLU CG C 34.054 0.148 . 514 55 55 GLU N N 127.218 0.125 . 515 56 56 GLY H H 8.543 0.025 . 516 56 56 GLY HA3 H 3.440 0.025 . 517 56 56 GLY CA C 42.881 0.148 . 518 56 56 GLY N N 104.894 0.125 . 519 57 57 LYS H H 7.719 0.025 . 520 57 57 LYS HA H 4.564 0.025 . 521 57 57 LYS HB2 H 1.830 0.025 . 522 57 57 LYS HB3 H 1.743 0.025 . 523 57 57 LYS HG2 H 1.389 0.025 . 524 57 57 LYS HG3 H 1.389 0.025 . 525 57 57 LYS HD2 H 1.684 0.025 . 526 57 57 LYS HD3 H 1.684 0.025 . 527 57 57 LYS HE2 H 3.014 0.025 . 528 57 57 LYS HE3 H 3.014 0.025 . 529 57 57 LYS CA C 51.959 0.148 . 530 57 57 LYS CB C 32.188 0.148 . 531 57 57 LYS CG C 22.029 0.148 . 532 57 57 LYS CD C 26.517 0.148 . 533 57 57 LYS CE C 39.711 0.148 . 534 57 57 LYS N N 120.444 0.125 . 535 58 58 PHE H H 8.661 0.025 . 536 58 58 PHE HA H 4.771 0.025 . 537 58 58 PHE HB2 H 3.082 0.025 . 538 58 58 PHE HB3 H 2.887 0.025 . 539 58 58 PHE HD1 H 7.290 0.025 . 540 58 58 PHE HD2 H 7.290 0.025 . 541 58 58 PHE HE1 H 7.255 0.025 . 542 58 58 PHE HE2 H 7.255 0.025 . 543 58 58 PHE CA C 56.165 0.148 . 544 58 58 PHE CB C 36.902 0.148 . 545 58 58 PHE CD1 C 128.733 0.148 . 546 58 58 PHE CD2 C 128.730 0.148 . 547 58 58 PHE CE1 C 126.905 0.148 . 548 58 58 PHE N N 121.824 0.125 . 549 59 59 LYS H H 8.680 0.025 . 550 59 59 LYS HA H 4.451 0.025 . 551 59 59 LYS HB2 H 1.734 0.025 . 552 59 59 LYS HB3 H 1.408 0.025 . 553 59 59 LYS HG2 H 1.343 0.025 . 554 59 59 LYS HG3 H 1.386 0.025 . 555 59 59 LYS HD2 H 1.790 0.025 . 556 59 59 LYS HD3 H 1.717 0.025 . 557 59 59 LYS HE2 H 3.012 0.025 . 558 59 59 LYS HE3 H 3.216 0.025 . 559 59 59 LYS CA C 50.985 0.148 . 560 59 59 LYS CB C 29.791 0.148 . 561 59 59 LYS CG C 21.367 0.148 . 562 59 59 LYS CD C 25.036 0.148 . 563 59 59 LYS CE C 39.844 0.148 . 564 59 59 LYS N N 123.205 0.125 . 565 60 60 GLU H H 8.743 0.025 . 566 60 60 GLU HA H 4.260 0.025 . 567 60 60 GLU HB2 H 1.914 0.025 . 568 60 60 GLU HB3 H 1.999 0.025 . 569 60 60 GLU HG2 H 2.215 0.025 . 570 60 60 GLU HG3 H 2.267 0.025 . 571 60 60 GLU CA C 53.906 0.148 . 572 60 60 GLU CB C 27.663 0.148 . 573 60 60 GLU CG C 33.712 0.148 . 574 60 60 GLU N N 122.647 0.125 . 575 61 61 ASN H H 8.631 0.025 . 576 61 61 ASN HA H 4.845 0.025 . 577 61 61 ASN HB2 H 2.805 0.025 . 578 61 61 ASN HB3 H 2.634 0.025 . 579 61 61 ASN HD21 H 6.691 0.025 . 580 61 61 ASN HD22 H 7.450 0.025 . 581 61 61 ASN CA C 50.752 0.148 . 582 61 61 ASN CB C 36.023 0.148 . 583 61 61 ASN N N 119.907 0.125 . 584 61 61 ASN ND2 N 112.888 0.125 . 585 62 62 THR H H 8.244 0.025 . 586 62 62 THR HA H 4.308 0.025 . 587 62 62 THR HB H 4.166 0.025 . 588 62 62 THR HG2 H 0.953 0.025 . 589 62 62 THR CA C 59.310 0.148 . 590 62 62 THR CB C 66.813 0.148 . 591 62 62 THR CG2 C 19.242 0.148 . 592 62 62 THR N N 113.271 0.125 . 593 63 63 SER H H 7.986 0.025 . 594 63 63 SER HA H 4.650 0.025 . 595 63 63 SER HB2 H 4.069 0.025 . 596 63 63 SER HB3 H 3.975 0.025 . 597 63 63 SER CA C 54.094 0.148 . 598 63 63 SER CB C 61.617 0.148 . 599 63 63 SER N N 116.521 0.125 . 600 64 64 TYR H H 8.292 0.025 . 601 64 64 TYR HA H 4.838 0.025 . 602 64 64 TYR HB2 H 3.307 0.025 . 603 64 64 TYR HB3 H 2.959 0.025 . 604 64 64 TYR HD1 H 7.114 0.025 . 605 64 64 TYR HD2 H 7.114 0.025 . 606 64 64 TYR HE1 H 6.635 0.025 . 607 64 64 TYR HE2 H 6.635 0.025 . 608 64 64 TYR CA C 56.403 0.148 . 609 64 64 TYR CB C 36.569 0.148 . 610 64 64 TYR CD2 C 129.619 0.148 . 611 64 64 TYR CE2 C 115.229 0.148 . 612 64 64 TYR N N 120.183 0.125 . 613 65 65 LYS H H 8.412 0.025 . 614 65 65 LYS HA H 4.721 0.025 . 615 65 65 LYS HB2 H 1.812 0.025 . 616 65 65 LYS HB3 H 2.197 0.025 . 617 65 65 LYS HG2 H 1.422 0.025 . 618 65 65 LYS HG3 H 1.274 0.025 . 619 65 65 LYS HD2 H 1.598 0.025 . 620 65 65 LYS HD3 H 1.675 0.025 . 621 65 65 LYS HE2 H 2.826 0.025 . 622 65 65 LYS HE3 H 2.826 0.025 . 623 65 65 LYS CA C 52.706 0.148 . 624 65 65 LYS CB C 31.820 0.148 . 625 65 65 LYS CG C 22.224 0.148 . 626 65 65 LYS CD C 26.872 0.148 . 627 65 65 LYS CE C 39.666 0.148 . 628 65 65 LYS N N 115.195 0.125 . 629 66 66 GLU H H 7.383 0.025 . 630 66 66 GLU HA H 5.213 0.025 . 631 66 66 GLU HB2 H 1.982 0.025 . 632 66 66 GLU HB3 H 1.982 0.025 . 633 66 66 GLU HG2 H 2.065 0.025 . 634 66 66 GLU HG3 H 2.004 0.025 . 635 66 66 GLU CA C 52.613 0.148 . 636 66 66 GLU CB C 30.793 0.148 . 637 66 66 GLU CG C 33.396 0.148 . 638 66 66 GLU N N 117.231 0.125 . 639 67 67 PHE H H 9.085 0.025 . 640 67 67 PHE HA H 4.430 0.025 . 641 67 67 PHE HB2 H 2.970 0.025 . 642 67 67 PHE HB3 H 2.439 0.025 . 643 67 67 PHE HD1 H 6.967 0.025 . 644 67 67 PHE HD2 H 6.967 0.025 . 645 67 67 PHE HE1 H 7.187 0.025 . 646 67 67 PHE HE2 H 7.187 0.025 . 647 67 67 PHE CA C 56.269 0.148 . 648 67 67 PHE CB C 40.275 0.148 . 649 67 67 PHE CD1 C 128.292 0.148 . 650 67 67 PHE CD2 C 128.290 0.148 . 651 67 67 PHE CE1 C 128.287 0.148 . 652 67 67 PHE CE2 C 128.290 0.148 . 653 67 67 PHE N N 121.532 0.125 . 654 68 68 ASP H H 7.769 0.025 . 655 68 68 ASP HA H 4.428 0.025 . 656 68 68 ASP HB2 H 2.463 0.025 . 657 68 68 ASP HB3 H 2.076 0.025 . 658 68 68 ASP CA C 49.556 0.148 . 659 68 68 ASP CB C 38.424 0.148 . 660 68 68 ASP N N 128.157 0.125 . 661 69 69 GLY H H 7.759 0.025 . 662 69 69 GLY HA3 H 1.501 0.025 . 663 69 69 GLY CA C 40.899 0.148 . 664 69 69 GLY N N 114.151 0.125 . 665 70 70 GLY H H 8.682 0.025 . 666 70 70 GLY HA3 H 4.390 0.025 . 667 70 70 GLY CA C 43.994 0.148 . 668 70 70 GLY N N 113.714 0.125 . 669 71 71 TRP H H 7.427 0.025 . 670 71 71 TRP HA H 4.808 0.025 . 671 71 71 TRP HB2 H 3.870 0.025 . 672 71 71 TRP HB3 H 3.023 0.025 . 673 71 71 TRP HD1 H 7.469 0.025 . 674 71 71 TRP HE1 H 10.742 0.025 . 675 71 71 TRP HE3 H 7.789 0.025 . 676 71 71 TRP HZ2 H 7.383 0.025 . 677 71 71 TRP HZ3 H 6.903 0.025 . 678 71 71 TRP HH2 H 6.819 0.025 . 679 71 71 TRP CA C 52.777 0.148 . 680 71 71 TRP CB C 25.645 0.148 . 681 71 71 TRP CD1 C 124.703 0.148 . 682 71 71 TRP CE3 C 120.101 0.148 . 683 71 71 TRP CZ2 C 111.089 0.148 . 684 71 71 TRP CZ3 C 118.322 0.148 . 685 71 71 TRP CH2 C 121.998 0.148 . 686 71 71 TRP N N 117.823 0.125 . 687 71 71 TRP NE1 N 132.896 0.125 . 688 72 72 TYR H H 6.174 0.025 . 689 72 72 TYR HA H 5.125 0.025 . 690 72 72 TYR HB2 H 1.982 0.025 . 691 72 72 TYR HB3 H 1.742 0.025 . 692 72 72 TYR HD1 H 6.118 0.025 . 693 72 72 TYR HD2 H 6.118 0.025 . 694 72 72 TYR HE1 H 6.118 0.025 . 695 72 72 TYR HE2 H 6.118 0.025 . 696 72 72 TYR CA C 51.435 0.148 . 697 72 72 TYR CB C 38.620 0.148 . 698 72 72 TYR CD1 C 126.369 0.148 . 699 72 72 TYR CD2 C 126.369 0.148 . 700 72 72 TYR CE1 C 124.486 0.148 . 701 72 72 TYR CE2 C 124.490 0.148 . 702 72 72 TYR N N 114.204 0.125 . 703 73 73 LEU H H 8.811 0.025 . 704 73 73 LEU HA H 4.767 0.025 . 705 73 73 LEU HB2 H 1.484 0.025 . 706 73 73 LEU HB3 H 1.339 0.025 . 707 73 73 LEU HD1 H 0.706 0.025 . 708 73 73 LEU CA C 51.332 0.148 . 709 73 73 LEU CB C 43.403 0.148 . 710 73 73 LEU CD1 C 23.020 0.148 . 711 73 73 LEU N N 121.469 0.125 . 712 74 74 VAL H H 8.905 0.025 . 713 74 74 VAL HA H 4.783 0.025 . 714 74 74 VAL HB H 2.065 0.025 . 715 74 74 VAL HG1 H 0.872 0.025 . 716 74 74 VAL HG2 H 0.695 0.025 . 717 74 74 VAL CA C 57.812 0.148 . 718 74 74 VAL CB C 31.820 0.148 . 719 74 74 VAL CG1 C 20.294 0.148 . 720 74 74 VAL CG2 C 21.000 0.148 . 721 74 74 VAL N N 124.558 0.125 . 722 75 75 LYS H H 9.227 0.025 . 723 75 75 LYS HA H 5.110 0.025 . 724 75 75 LYS HB2 H 1.599 0.025 . 725 75 75 LYS HB3 H 1.763 0.025 . 726 75 75 LYS HG2 H 1.306 0.025 . 727 75 75 LYS HG3 H 1.306 0.025 . 728 75 75 LYS HD2 H 1.514 0.025 . 729 75 75 LYS HD3 H 1.514 0.025 . 730 75 75 LYS HE2 H 2.830 0.025 . 731 75 75 LYS HE3 H 2.830 0.025 . 732 75 75 LYS CA C 52.804 0.148 . 733 75 75 LYS CB C 34.575 0.148 . 734 75 75 LYS CG C 22.626 0.148 . 735 75 75 LYS CD C 27.094 0.148 . 736 75 75 LYS CE C 39.741 0.148 . 737 75 75 LYS N N 125.824 0.125 . 738 76 76 ILE H H 8.701 0.025 . 739 76 76 ILE HA H 5.078 0.025 . 740 76 76 ILE HB H 1.550 0.025 . 741 76 76 ILE HG12 H 1.507 0.025 . 742 76 76 ILE HG13 H 0.895 0.025 . 743 76 76 ILE HG2 H 0.324 0.025 . 744 76 76 ILE HD1 H 0.920 0.025 . 745 76 76 ILE CA C 57.367 0.148 . 746 76 76 ILE CB C 37.593 0.148 . 747 76 76 ILE CG1 C 26.562 0.148 . 748 76 76 ILE CG2 C 14.059 0.148 . 749 76 76 ILE CD1 C 13.622 0.148 . 750 76 76 ILE N N 124.647 0.125 . 751 77 77 GLU H H 8.714 0.025 . 752 77 77 GLU HA H 4.444 0.025 . 753 77 77 GLU HB2 H 1.806 0.025 . 754 77 77 GLU HB3 H 1.923 0.025 . 755 77 77 GLU HG2 H 2.146 0.025 . 756 77 77 GLU HG3 H 2.058 0.025 . 757 77 77 GLU CA C 52.471 0.148 . 758 77 77 GLU CB C 29.914 0.148 . 759 77 77 GLU CG C 33.811 0.148 . 760 77 77 GLU N N 128.081 0.125 . 761 78 78 ASP H H 9.145 0.025 . 762 78 78 ASP HA H 4.100 0.025 . 763 78 78 ASP HB2 H 2.907 0.025 . 764 78 78 ASP HB3 H 2.907 0.025 . 765 78 78 ASP CA C 54.063 0.148 . 766 78 78 ASP CB C 36.738 0.148 . 767 78 78 ASP N N 126.158 0.125 . 768 79 79 ASN H H 8.427 0.025 . 769 79 79 ASN HA H 4.646 0.025 . 770 79 79 ASN HB2 H 3.446 0.025 . 771 79 79 ASN HB3 H 2.717 0.025 . 772 79 79 ASN HD21 H 7.098 0.025 . 773 79 79 ASN HD22 H 7.826 0.025 . 774 79 79 ASN CA C 51.209 0.148 . 775 79 79 ASN CB C 35.350 0.148 . 776 79 79 ASN N N 118.653 0.125 . 777 79 79 ASN ND2 N 113.576 0.125 . 778 80 80 GLU H H 8.381 0.025 . 779 80 80 GLU HA H 5.509 0.025 . 780 80 80 GLU HB2 H 1.813 0.025 . 781 80 80 GLU HB3 H 2.239 0.025 . 782 80 80 GLU HG2 H 2.004 0.025 . 783 80 80 GLU HG3 H 2.436 0.025 . 784 80 80 GLU CA C 52.860 0.148 . 785 80 80 GLU CB C 29.673 0.148 . 786 80 80 GLU CG C 34.409 0.148 . 787 80 80 GLU N N 120.378 0.125 . 788 81 81 LEU H H 9.430 0.025 . 789 81 81 LEU HA H 4.966 0.025 . 790 81 81 LEU HB2 H 2.099 0.025 . 791 81 81 LEU HB3 H 1.553 0.025 . 792 81 81 LEU HG H 1.284 0.025 . 793 81 81 LEU HD1 H 0.743 0.025 . 794 81 81 LEU HD2 H 0.143 0.025 . 795 81 81 LEU CA C 51.014 0.148 . 796 81 81 LEU CB C 42.550 0.148 . 797 81 81 LEU CG C 25.056 0.148 . 798 81 81 LEU CD1 C 22.049 0.148 . 799 81 81 LEU CD2 C 23.211 0.148 . 800 81 81 LEU N N 125.771 0.125 . 801 82 82 LYS H H 9.512 0.025 . 802 82 82 LYS HA H 5.245 0.025 . 803 82 82 LYS HB2 H 1.732 0.025 . 804 82 82 LYS HB3 H 1.732 0.025 . 805 82 82 LYS HG2 H 1.344 0.025 . 806 82 82 LYS HG3 H 1.306 0.025 . 807 82 82 LYS HD2 H 1.554 0.025 . 808 82 82 LYS HD3 H 1.554 0.025 . 809 82 82 LYS HE2 H 2.836 0.025 . 810 82 82 LYS HE3 H 2.836 0.025 . 811 82 82 LYS CA C 52.332 0.148 . 812 82 82 LYS CB C 32.179 0.148 . 813 82 82 LYS CG C 23.168 0.148 . 814 82 82 LYS CD C 26.867 0.148 . 815 82 82 LYS CE C 39.835 0.148 . 816 82 82 LYS N N 128.076 0.125 . 817 83 83 VAL H H 8.627 0.025 . 818 83 83 VAL HA H 4.908 0.025 . 819 83 83 VAL HB H 1.730 0.025 . 820 83 83 VAL HG1 H 0.724 0.025 . 821 83 83 VAL HG2 H 0.230 0.025 . 822 83 83 VAL CA C 58.380 0.148 . 823 83 83 VAL CB C 32.168 0.148 . 824 83 83 VAL CG1 C 18.038 0.148 . 825 83 83 VAL CG2 C 18.318 0.148 . 826 83 83 VAL N N 124.216 0.125 . 827 84 84 ILE H H 9.049 0.025 . 828 84 84 ILE HA H 4.530 0.025 . 829 84 84 ILE HB H 1.671 0.025 . 830 84 84 ILE HG12 H 1.095 0.025 . 831 84 84 ILE HG13 H 1.425 0.025 . 832 84 84 ILE HG2 H 0.770 0.025 . 833 84 84 ILE HD1 H 0.774 0.025 . 834 84 84 ILE CA C 58.406 0.148 . 835 84 84 ILE CB C 38.166 0.148 . 836 84 84 ILE CG1 C 25.218 0.148 . 837 84 84 ILE CG2 C 15.472 0.148 . 838 84 84 ILE CD1 C 11.600 0.148 . 839 84 84 ILE N N 129.084 0.125 . 840 85 85 ILE H H 8.822 0.025 . 841 85 85 ILE HA H 4.585 0.025 . 842 85 85 ILE HB H 1.690 0.025 . 843 85 85 ILE HG12 H 0.986 0.025 . 844 85 85 ILE HG13 H 0.986 0.025 . 845 85 85 ILE HG2 H 1.441 0.025 . 846 85 85 ILE HD1 H 0.893 0.025 . 847 85 85 ILE CA C 58.460 0.148 . 848 85 85 ILE CB C 38.498 0.148 . 849 85 85 ILE CG1 C 26.625 0.148 . 850 85 85 ILE CG2 C 16.537 0.148 . 851 85 85 ILE CD1 C 12.505 0.148 . 852 85 85 ILE N N 127.360 0.125 . 853 86 86 ASN H H 8.961 0.025 . 854 86 86 ASN HA H 4.766 0.025 . 855 86 86 ASN HB2 H 3.005 0.025 . 856 86 86 ASN HB3 H 3.053 0.025 . 857 86 86 ASN HD21 H 6.730 0.025 . 858 86 86 ASN HD22 H 7.438 0.025 . 859 86 86 ASN CA C 50.182 0.148 . 860 86 86 ASN CB C 36.891 0.148 . 861 86 86 ASN N N 128.337 0.125 . 862 86 86 ASN ND2 N 110.023 0.125 . 863 87 87 ARG H H 8.373 0.025 . 864 87 87 ARG HA H 3.991 0.025 . 865 87 87 ARG HB2 H 1.818 0.025 . 866 87 87 ARG HB3 H 1.611 0.025 . 867 87 87 ARG HG2 H 1.602 0.025 . 868 87 87 ARG HG3 H 1.163 0.025 . 869 87 87 ARG HD2 H 3.180 0.025 . 870 87 87 ARG HD3 H 3.109 0.025 . 871 87 87 ARG CA C 54.198 0.148 . 872 87 87 ARG CB C 28.403 0.148 . 873 87 87 ARG CG C 24.983 0.148 . 874 87 87 ARG CD C 40.886 0.148 . 875 87 87 ARG N N 119.368 0.125 . 876 88 88 ASN H H 9.452 0.025 . 877 88 88 ASN HA H 4.725 0.025 . 878 88 88 ASN HB2 H 2.998 0.025 . 879 88 88 ASN HB3 H 2.384 0.025 . 880 88 88 ASN HD21 H 7.095 0.025 . 881 88 88 ASN HD22 H 7.283 0.025 . 882 88 88 ASN CA C 49.103 0.148 . 883 88 88 ASN CB C 34.757 0.148 . 884 88 88 ASN N N 125.082 0.125 . 885 88 88 ASN ND2 N 110.402 0.125 . 886 89 89 GLU H H 9.178 0.025 . 887 89 89 GLU HA H 4.358 0.025 . 888 89 89 GLU HB2 H 2.174 0.025 . 889 89 89 GLU HB3 H 1.766 0.025 . 890 89 89 GLU HG2 H 2.089 0.025 . 891 89 89 GLU HG3 H 1.999 0.025 . 892 89 89 GLU CA C 53.013 0.148 . 893 89 89 GLU CB C 27.084 0.148 . 894 89 89 GLU CG C 34.362 0.148 . 895 89 89 GLU N N 125.309 0.125 . 896 90 90 THR H H 7.837 0.025 . 897 90 90 THR HA H 4.534 0.025 . 898 90 90 THR HB H 4.270 0.025 . 899 90 90 THR HG2 H 1.147 0.025 . 900 90 90 THR CA C 58.161 0.148 . 901 90 90 THR CB C 68.409 0.148 . 902 90 90 THR CG2 C 18.538 0.148 . 903 90 90 THR N N 112.516 0.125 . 904 91 91 ASN H H 8.287 0.025 . 905 91 91 ASN HA H 4.707 0.025 . 906 91 91 ASN HB2 H 2.765 0.025 . 907 91 91 ASN HB3 H 2.830 0.025 . 908 91 91 ASN HD21 H 6.718 0.025 . 909 91 91 ASN HD22 H 7.391 0.025 . 910 91 91 ASN CA C 49.796 0.148 . 911 91 91 ASN CB C 35.474 0.148 . 912 91 91 ASN N N 116.717 0.125 . 913 91 91 ASN ND2 N 110.295 0.125 . 914 92 92 ALA H H 7.691 0.025 . 915 92 92 ALA HA H 4.636 0.025 . 916 92 92 ALA HB H 1.240 0.025 . 917 92 92 ALA CA C 48.049 0.148 . 918 92 92 ALA CB C 19.716 0.148 . 919 92 92 ALA N N 122.025 0.125 . 920 93 93 SER H H 8.258 0.025 . 921 93 93 SER HA H 4.536 0.025 . 922 93 93 SER HB2 H 3.821 0.025 . 923 93 93 SER HB3 H 3.684 0.025 . 924 93 93 SER CA C 54.865 0.148 . 925 93 93 SER CB C 61.292 0.148 . 926 93 93 SER N N 115.895 0.125 . 927 94 94 ARG H H 8.334 0.025 . 928 94 94 ARG HA H 4.914 0.025 . 929 94 94 ARG HB2 H 1.413 0.025 . 930 94 94 ARG HB3 H 1.413 0.025 . 931 94 94 ARG HG2 H 0.683 0.025 . 932 94 94 ARG HG3 H 1.100 0.025 . 933 94 94 ARG HD2 H 2.064 0.025 . 934 94 94 ARG HD3 H 2.064 0.025 . 935 94 94 ARG CA C 52.096 0.148 . 936 94 94 ARG CB C 29.512 0.148 . 937 94 94 ARG CG C 22.117 0.148 . 938 94 94 ARG CD C 40.728 0.148 . 939 94 94 ARG N N 119.529 0.125 . 940 95 95 SER H H 8.947 0.025 . 941 95 95 SER HA H 5.926 0.025 . 942 95 95 SER HB2 H 3.808 0.025 . 943 95 95 SER HB3 H 3.748 0.025 . 944 95 95 SER CA C 54.219 0.148 . 945 95 95 SER CB C 65.271 0.148 . 946 95 95 SER N N 114.542 0.125 . 947 96 96 PHE H H 8.239 0.025 . 948 96 96 PHE HA H 5.338 0.025 . 949 96 96 PHE HB2 H 2.765 0.025 . 950 96 96 PHE HB3 H 2.646 0.025 . 951 96 96 PHE HD1 H 6.290 0.025 . 952 96 96 PHE HD2 H 6.290 0.025 . 953 96 96 PHE CA C 54.480 0.148 . 954 96 96 PHE CB C 38.868 0.148 . 955 96 96 PHE CD1 C 128.720 0.148 . 956 96 96 PHE CD2 C 128.721 0.148 . 957 96 96 PHE N N 117.183 0.125 . 958 97 97 THR H H 9.264 0.025 . 959 97 97 THR HA H 5.250 0.025 . 960 97 97 THR HB H 3.729 0.025 . 961 97 97 THR HG2 H 0.920 0.025 . 962 97 97 THR CA C 58.178 0.148 . 963 97 97 THR CB C 69.068 0.148 . 964 97 97 THR CG2 C 19.114 0.148 . 965 97 97 THR N N 115.263 0.125 . 966 98 98 VAL H H 9.316 0.025 . 967 98 98 VAL HA H 4.857 0.025 . 968 98 98 VAL HB H 2.127 0.025 . 969 98 98 VAL HG1 H 1.072 0.025 . 970 98 98 VAL HG2 H 1.167 0.025 . 971 98 98 VAL CA C 57.409 0.148 . 972 98 98 VAL CB C 32.929 0.148 . 973 98 98 VAL CG1 C 18.301 0.148 . 974 98 98 VAL CG2 C 20.178 0.148 . 975 98 98 VAL N N 125.442 0.125 . 976 99 99 CYS H H 8.883 0.025 . 977 99 99 CYS HA H 5.346 0.025 . 978 99 99 CYS HB2 H 3.001 0.025 . 979 99 99 CYS HB3 H 2.852 0.025 . 980 99 99 CYS CA C 53.951 0.148 . 981 99 99 CYS CB C 25.942 0.148 . 982 99 99 CYS N N 127.111 0.125 . 983 100 100 VAL H H 8.995 0.025 . 984 100 100 VAL HA H 5.383 0.025 . 985 100 100 VAL HB H 2.093 0.025 . 986 100 100 VAL HG1 H 0.884 0.025 . 987 100 100 VAL HG2 H 0.660 0.025 . 988 100 100 VAL CA C 55.713 0.148 . 989 100 100 VAL CB C 32.643 0.148 . 990 100 100 VAL CG1 C 20.089 0.148 . 991 100 100 VAL CG2 C 15.447 0.148 . 992 100 100 VAL N N 120.146 0.125 . 993 101 101 GLU H H 8.714 0.025 . 994 101 101 GLU HA H 4.752 0.025 . 995 101 101 GLU HB2 H 1.523 0.025 . 996 101 101 GLU HB3 H 1.259 0.025 . 997 101 101 GLU CA C 51.435 0.148 . 998 101 101 GLU CB C 31.721 0.148 . 999 101 101 GLU N N 118.807 0.125 . 1000 102 102 ALA H H 7.893 0.025 . 1001 102 102 ALA HA H 3.857 0.025 . 1002 102 102 ALA HB H 0.492 0.025 . 1003 102 102 ALA CA C 47.878 0.148 . 1004 102 102 ALA CB C 18.025 0.148 . 1005 102 102 ALA N N 124.088 0.125 . 1006 103 103 GLY H H 7.713 0.025 . 1007 103 103 GLY HA3 H 3.611 0.025 . 1008 103 103 GLY CA C 44.643 0.148 . 1009 103 103 GLY N N 111.186 0.125 . 1010 104 104 ASN H H 8.604 0.025 . 1011 104 104 ASN HA H 4.672 0.025 . 1012 104 104 ASN HB2 H 2.937 0.025 . 1013 104 104 ASN HB3 H 2.631 0.025 . 1014 104 104 ASN HD21 H 6.918 0.025 . 1015 104 104 ASN HD22 H 7.556 0.025 . 1016 104 104 ASN CA C 50.696 0.148 . 1017 104 104 ASN CB C 36.407 0.148 . 1018 104 104 ASN N N 123.092 0.125 . 1019 104 104 ASN ND2 N 112.693 0.125 . 1020 105 105 ALA H H 7.725 0.025 . 1021 105 105 ALA HA H 4.431 0.025 . 1022 105 105 ALA HB H 1.086 0.025 . 1023 105 105 ALA CA C 48.668 0.148 . 1024 105 105 ALA CB C 18.936 0.148 . 1025 105 105 ALA N N 122.653 0.125 . 1026 106 106 PHE H H 7.830 0.025 . 1027 106 106 PHE HA H 5.417 0.025 . 1028 106 106 PHE HB2 H 2.879 0.025 . 1029 106 106 PHE HB3 H 2.879 0.025 . 1030 106 106 PHE HD1 H 6.970 0.025 . 1031 106 106 PHE HD2 H 6.970 0.025 . 1032 106 106 PHE HE1 H 7.156 0.025 . 1033 106 106 PHE HE2 H 7.156 0.025 . 1034 106 106 PHE CA C 53.558 0.148 . 1035 106 106 PHE CB C 40.484 0.148 . 1036 106 106 PHE CD1 C 129.272 0.148 . 1037 106 106 PHE CD2 C 129.270 0.148 . 1038 106 106 PHE CE1 C 126.706 0.148 . 1039 106 106 PHE CE2 C 126.710 0.148 . 1040 106 106 PHE N N 116.011 0.125 . 1041 107 107 ASP H H 8.972 0.025 . 1042 107 107 ASP HA H 4.594 0.025 . 1043 107 107 ASP HB2 H 2.626 0.025 . 1044 107 107 ASP HB3 H 2.135 0.025 . 1045 107 107 ASP CA C 50.524 0.148 . 1046 107 107 ASP CB C 43.091 0.148 . 1047 107 107 ASP N N 121.992 0.125 . 1048 108 108 GLU H H 8.149 0.025 . 1049 108 108 GLU HA H 5.009 0.025 . 1050 108 108 GLU HB2 H 1.673 0.025 . 1051 108 108 GLU HB3 H 1.673 0.025 . 1052 108 108 GLU HG2 H 1.908 0.025 . 1053 108 108 GLU HG3 H 1.766 0.025 . 1054 108 108 GLU CA C 51.988 0.148 . 1055 108 108 GLU CB C 31.317 0.148 . 1056 108 108 GLU CG C 34.127 0.148 . 1057 108 108 GLU N N 119.354 0.125 . 1058 109 109 PHE H H 8.456 0.025 . 1059 109 109 PHE HA H 4.958 0.025 . 1060 109 109 PHE HB2 H 2.223 0.025 . 1061 109 109 PHE HB3 H 2.069 0.025 . 1062 109 109 PHE HD1 H 6.297 0.025 . 1063 109 109 PHE HD2 H 6.297 0.025 . 1064 109 109 PHE HE1 H 6.200 0.025 . 1065 109 109 PHE HE2 H 6.200 0.025 . 1066 109 109 PHE HZ H 5.321 0.025 . 1067 109 109 PHE CA C 52.787 0.148 . 1068 109 109 PHE CB C 40.443 0.148 . 1069 109 109 PHE CD1 C 127.504 0.148 . 1070 109 109 PHE CD2 C 127.500 0.148 . 1071 109 109 PHE CE1 C 127.362 0.148 . 1072 109 109 PHE CE2 C 127.360 0.148 . 1073 109 109 PHE CZ C 125.684 0.148 . 1074 109 109 PHE N N 122.098 0.125 . 1075 110 110 LYS H H 8.416 0.025 . 1076 110 110 LYS HA H 4.692 0.025 . 1077 110 110 LYS HB2 H 1.452 0.025 . 1078 110 110 LYS HB3 H 1.452 0.025 . 1079 110 110 LYS HG2 H 0.848 0.025 . 1080 110 110 LYS HG3 H 1.109 0.025 . 1081 110 110 LYS HD2 H 1.374 0.025 . 1082 110 110 LYS HD3 H 1.374 0.025 . 1083 110 110 LYS HE2 H 2.650 0.025 . 1084 110 110 LYS HE3 H 2.584 0.025 . 1085 110 110 LYS CA C 51.891 0.148 . 1086 110 110 LYS CB C 33.012 0.148 . 1087 110 110 LYS CG C 22.543 0.148 . 1088 110 110 LYS CD C 26.976 0.148 . 1089 110 110 LYS CE C 39.487 0.148 . 1090 110 110 LYS N N 124.500 0.125 . 1091 111 111 PHE H H 8.586 0.025 . 1092 111 111 PHE HA H 4.754 0.025 . 1093 111 111 PHE HB2 H 2.148 0.025 . 1094 111 111 PHE HB3 H 1.723 0.025 . 1095 111 111 PHE HD1 H 6.489 0.025 . 1096 111 111 PHE HD2 H 6.489 0.025 . 1097 111 111 PHE HE1 H 6.928 0.025 . 1098 111 111 PHE HE2 H 6.928 0.025 . 1099 111 111 PHE CA C 58.184 0.148 . 1100 111 111 PHE CB C 38.380 0.148 . 1101 111 111 PHE CD1 C 130.408 0.148 . 1102 111 111 PHE CD2 C 130.410 0.148 . 1103 111 111 PHE CE1 C 126.443 0.148 . 1104 111 111 PHE CE2 C 126.440 0.148 . 1105 111 111 PHE N N 125.010 0.125 . 1106 112 112 VAL H H 8.609 0.025 . 1107 112 112 VAL HA H 4.440 0.025 . 1108 112 112 VAL HB H 1.866 0.025 . 1109 112 112 VAL HG1 H 0.768 0.025 . 1110 112 112 VAL HG2 H 0.714 0.025 . 1111 112 112 VAL CA C 58.256 0.148 . 1112 112 112 VAL CB C 31.093 0.148 . 1113 112 112 VAL CG1 C 18.048 0.148 . 1114 112 112 VAL CG2 C 17.946 0.148 . 1115 112 112 VAL N N 122.957 0.125 . 1116 113 113 GLN H H 9.934 0.025 . 1117 113 113 GLN HA H 5.319 0.025 . 1118 113 113 GLN HB2 H 2.163 0.025 . 1119 113 113 GLN HB3 H 1.398 0.025 . 1120 113 113 GLN HG2 H 2.173 0.025 . 1121 113 113 GLN HG3 H 2.687 0.025 . 1122 113 113 GLN HE21 H 7.644 0.025 . 1123 113 113 GLN HE22 H 7.141 0.025 . 1124 113 113 GLN CA C 51.119 0.148 . 1125 113 113 GLN CB C 28.164 0.148 . 1126 113 113 GLN CG C 31.568 0.148 . 1127 113 113 GLN N N 130.864 0.125 . 1128 113 113 GLN NE2 N 112.021 0.125 . 1129 114 114 ASP H H 8.107 0.025 . 1130 114 114 ASP HA H 4.327 0.025 . 1131 114 114 ASP HB2 H 2.828 0.025 . 1132 114 114 ASP HB3 H 2.451 0.025 . 1133 114 114 ASP CA C 51.773 0.148 . 1134 114 114 ASP CB C 39.855 0.148 . 1135 114 114 ASP N N 126.272 0.125 . 1136 115 115 ALA H H 7.955 0.025 . 1137 115 115 ALA HA H 3.699 0.025 . 1138 115 115 ALA HB H 0.969 0.025 . 1139 115 115 ALA CA C 48.901 0.148 . 1140 115 115 ALA CB C 17.751 0.148 . 1141 115 115 ALA N N 120.134 0.125 . 1142 116 116 ALA H H 8.005 0.025 . 1143 116 116 ALA HA H 3.953 0.025 . 1144 116 116 ALA HB H 1.122 0.025 . 1145 116 116 ALA CA C 49.988 0.148 . 1146 116 116 ALA CB C 16.200 0.148 . 1147 116 116 ALA N N 121.377 0.125 . 1148 117 117 LYS H H 8.226 0.025 . 1149 117 117 LYS HA H 4.139 0.025 . 1150 117 117 LYS HB2 H 1.655 0.025 . 1151 117 117 LYS HB3 H 1.748 0.025 . 1152 117 117 LYS HG2 H 1.376 0.025 . 1153 117 117 LYS HG3 H 1.376 0.025 . 1154 117 117 LYS HD2 H 1.624 0.025 . 1155 117 117 LYS HD3 H 1.624 0.025 . 1156 117 117 LYS HE2 H 2.951 0.025 . 1157 117 117 LYS HE3 H 2.951 0.025 . 1158 117 117 LYS CA C 53.646 0.148 . 1159 117 117 LYS CB C 30.579 0.148 . 1160 117 117 LYS CG C 22.155 0.148 . 1161 117 117 LYS CD C 26.566 0.148 . 1162 117 117 LYS CE C 39.649 0.148 . 1163 117 117 LYS N N 121.536 0.125 . 1164 118 118 GLN H H 7.965 0.025 . 1165 118 118 GLN HA H 4.060 0.025 . 1166 118 118 GLN HB2 H 1.808 0.025 . 1167 118 118 GLN HB3 H 2.017 0.025 . 1168 118 118 GLN HG2 H 2.189 0.025 . 1169 118 118 GLN HG3 H 2.189 0.025 . 1170 118 118 GLN HE21 H 7.392 0.025 . 1171 118 118 GLN HE22 H 6.744 0.025 . 1172 118 118 GLN CA C 54.441 0.148 . 1173 118 118 GLN CB C 27.998 0.148 . 1174 118 118 GLN CG C 31.743 0.148 . 1175 118 118 GLN N N 127.105 0.125 . 1176 118 118 GLN NE2 N 112.522 0.125 . stop_ save_