data_19523 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminal domain of Bilbo1 from Trypanosoma brucei ; _BMRB_accession_number 19523 _BMRB_flat_file_name bmr19523.str _Entry_type original _Submission_date 2013-09-24 _Accession_date 2013-09-24 _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 Vidilaseris Keni . . 2 Morriswood Brooke . . 3 Kontaxis Georg . . 4 Dong Gang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 493 "13C chemical shifts" 409 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-02 update BMRB 'update entry citation' 2014-01-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the TbBILBO1 protein N-terminal domain from Trypanosoma brucei reveals an essential requirement for a conserved surface patch.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24362019 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vidilaseris Keni . . 2 Morriswood Brooke . . 3 Kontaxis Georg . . 4 Dong Gang . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 289 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3724 _Page_last 3735 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminal domain of Bilbo1 from Trypanosoma brucei' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminal domain of Bilbo1' $Bil_NTD 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_Bil_NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bil_NTD _Molecular_mass 12899.675 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; MAFLVQVAADIFNNKVNFEL SFPSRPSISELTRSAETAFS NEISLRRPDNVPSHKFHSSK IKMYDEELNKWVDLIREDQL TDYCQLYVFQPPNEWHKESQ KEIPPAMKPP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 PHE 4 LEU 5 VAL 6 GLN 7 VAL 8 ALA 9 ALA 10 ASP 11 ILE 12 PHE 13 ASN 14 ASN 15 LYS 16 VAL 17 ASN 18 PHE 19 GLU 20 LEU 21 SER 22 PHE 23 PRO 24 SER 25 ARG 26 PRO 27 SER 28 ILE 29 SER 30 GLU 31 LEU 32 THR 33 ARG 34 SER 35 ALA 36 GLU 37 THR 38 ALA 39 PHE 40 SER 41 ASN 42 GLU 43 ILE 44 SER 45 LEU 46 ARG 47 ARG 48 PRO 49 ASP 50 ASN 51 VAL 52 PRO 53 SER 54 HIS 55 LYS 56 PHE 57 HIS 58 SER 59 SER 60 LYS 61 ILE 62 LYS 63 MET 64 TYR 65 ASP 66 GLU 67 GLU 68 LEU 69 ASN 70 LYS 71 TRP 72 VAL 73 ASP 74 LEU 75 ILE 76 ARG 77 GLU 78 ASP 79 GLN 80 LEU 81 THR 82 ASP 83 TYR 84 CYS 85 GLN 86 LEU 87 TYR 88 VAL 89 PHE 90 GLN 91 PRO 92 PRO 93 ASN 94 GLU 95 TRP 96 HIS 97 LYS 98 GLU 99 SER 100 GLN 101 LYS 102 GLU 103 ILE 104 PRO 105 PRO 106 ALA 107 MET 108 LYS 109 PRO 110 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 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 2MEK "N-terminal Domain Of Bilbo1 From Trypanosoma Brucei" 100.00 110 100.00 100.00 3.84e-74 EMBL CBH18240 "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" 100.00 587 100.00 100.00 7.81e-74 GB AAY90076 "flagellar pocket-related cytoskeletal protein [Trypanosoma brucei]" 100.00 587 100.00 100.00 7.81e-74 GB EAN80165 "hypothetical protein, conserved [Trypanosoma brucei brucei TREU927]" 100.00 587 100.00 100.00 7.81e-74 REF XP_011780504 "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" 100.00 587 100.00 100.00 7.81e-74 REF XP_829277 "hypothetical protein [Trypanosoma brucei brucei TREU927]" 100.00 587 100.00 100.00 7.81e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bil_NTD 'Trypanosoma brucei' 5691 Eukaryota Protista Trypanosoma brucei 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 $Bil_NTD 'recombinant technology' . Escherichia coli BL21(DE3) pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Bil_NTD 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 10 % [U-2H] H2O 90 % 'natural abundance' 'sodium azide' 0.2 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.3 loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Direct Drive' _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.773 internal indirect . . . 3.977 water H 1 protons ppm 4.773 internal direct . . . 1 water N 15 protons ppm 4.773 internal indirect . . . 9.868 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HCACO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'N-terminal domain of Bilbo1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.321 . . 2 1 1 MET HA H 4.502 . . 3 1 1 MET HB2 H 2.013 . . 4 1 1 MET HB3 H 2.013 . . 5 1 1 MET HG2 H 2.261 . . 6 1 1 MET HG3 H 2.261 . . 7 1 1 MET HE H 2.098 . . 8 1 1 MET C C 174.686 . . 9 1 1 MET CA C 53.728 . . 10 1 1 MET CB C 32.523 . . 11 1 1 MET CE C 15.861 . . 12 1 1 MET N N 121.043 . . 13 2 2 ALA H H 7.914 . . 14 2 2 ALA HA H 4.407 . . 15 2 2 ALA HB H 1.304 . . 16 2 2 ALA C C 175.678 . . 17 2 2 ALA CA C 51.309 . . 18 2 2 ALA CB C 19.171 . . 19 2 2 ALA N N 123.848 . . 20 3 3 PHE H H 9.060 . . 21 3 3 PHE HA H 4.605 . . 22 3 3 PHE HB2 H 2.602 . . 23 3 3 PHE HB3 H 2.602 . . 24 3 3 PHE HE1 H 7.482 . . 25 3 3 PHE HE2 H 7.482 . . 26 3 3 PHE C C 173.742 . . 27 3 3 PHE CA C 56.250 . . 28 3 3 PHE CB C 39.930 . . 29 3 3 PHE N N 124.636 . . 30 4 4 LEU H H 8.466 . . 31 4 4 LEU HA H 5.622 . . 32 4 4 LEU HB2 H 1.247 . . 33 4 4 LEU HB3 H 1.632 . . 34 4 4 LEU HG H 1.661 . . 35 4 4 LEU HD1 H 0.756 . . 36 4 4 LEU HD2 H 0.762 . . 37 4 4 LEU C C 176.580 . . 38 4 4 LEU CA C 52.724 . . 39 4 4 LEU CB C 44.199 . . 40 4 4 LEU CG C 26.816 . . 41 4 4 LEU CD1 C 24.098 . . 42 4 4 LEU CD2 C 23.370 . . 43 4 4 LEU N N 130.373 . . 44 5 5 VAL H H 8.750 . . 45 5 5 VAL HA H 4.508 . . 46 5 5 VAL HB H 2.157 . . 47 5 5 VAL HG1 H 1.152 . . 48 5 5 VAL HG2 H 1.074 . . 49 5 5 VAL C C 173.306 . . 50 5 5 VAL CA C 59.186 . . 51 5 5 VAL CB C 35.148 . . 52 5 5 VAL CG1 C 21.910 . . 53 5 5 VAL CG2 C 20.140 . . 54 5 5 VAL N N 114.967 . . 55 6 6 GLN H H 8.596 . . 56 6 6 GLN HA H 5.235 . . 57 6 6 GLN HE21 H 6.398 . . 58 6 6 GLN HE22 H 6.472 . . 59 6 6 GLN C C 175.328 . . 60 6 6 GLN CA C 53.721 . . 61 6 6 GLN CB C 31.301 . . 62 6 6 GLN N N 122.337 . . 63 6 6 GLN NE2 N 108.510 . . 64 7 7 VAL H H 9.634 . . 65 7 7 VAL HA H 4.719 . . 66 7 7 VAL HB H 2.037 . . 67 7 7 VAL HG1 H 1.011 . . 68 7 7 VAL HG2 H 1.011 . . 69 7 7 VAL C C 172.224 . . 70 7 7 VAL CA C 59.154 . . 71 7 7 VAL CB C 33.347 . . 72 7 7 VAL CG1 C 19.937 . . 73 7 7 VAL CG2 C 19.937 . . 74 7 7 VAL N N 119.805 . . 75 8 8 ALA H H 8.323 . . 76 8 8 ALA HA H 6.069 . . 77 8 8 ALA HB H 1.402 . . 78 8 8 ALA C C 174.920 . . 79 8 8 ALA CA C 48.242 . . 80 8 8 ALA CB C 22.037 . . 81 8 8 ALA N N 127.863 . . 82 9 9 ALA H H 7.931 . . 83 9 9 ALA HA H 3.724 . . 84 9 9 ALA HB H 0.154 . . 85 9 9 ALA C C 175.484 . . 86 9 9 ALA CA C 50.127 . . 87 9 9 ALA CB C 20.418 . . 88 9 9 ALA N N 115.648 . . 89 10 10 ASP H H 7.800 . . 90 10 10 ASP HA H 4.781 . . 91 10 10 ASP HB2 H 2.237 . . 92 10 10 ASP HB3 H 2.584 . . 93 10 10 ASP CA C 53.559 . . 94 10 10 ASP CB C 42.983 . . 95 10 10 ASP N N 119.695 . . 96 11 11 ILE H H 8.601 . . 97 11 11 ILE HA H 3.791 . . 98 11 11 ILE HB H 1.993 . . 99 11 11 ILE HG2 H 0.813 . . 100 11 11 ILE HD1 H 0.464 . . 101 11 11 ILE CA C 65.694 . . 102 11 11 ILE CB C 36.145 . . 103 11 11 ILE CG2 C 16.918 . . 104 11 11 ILE CD1 C 8.632 . . 105 11 11 ILE N N 119.990 . . 106 12 12 PHE CA C 60.254 . . 107 12 12 PHE CB C 40.503 . . 108 13 13 ASN H H 9.637 . . 109 13 13 ASN C C 173.971 . . 110 13 13 ASN CA C 53.742 . . 111 13 13 ASN CB C 37.740 . . 112 13 13 ASN N N 126.142 . . 113 14 14 ASN H H 8.261 . . 114 14 14 ASN HA H 5.086 . . 115 14 14 ASN HB2 H 2.657 . . 116 14 14 ASN HB3 H 2.657 . . 117 14 14 ASN HD21 H 7.004 . . 118 14 14 ASN HD22 H 7.764 . . 119 14 14 ASN C C 172.907 . . 120 14 14 ASN CA C 51.447 . . 121 14 14 ASN CB C 41.145 . . 122 14 14 ASN N N 117.599 . . 123 14 14 ASN ND2 N 115.356 . . 124 15 15 LYS H H 8.350 . . 125 15 15 LYS HA H 4.814 . . 126 15 15 LYS C C 175.216 . . 127 15 15 LYS CA C 54.230 . . 128 15 15 LYS CB C 31.751 . . 129 15 15 LYS N N 123.014 . . 130 16 16 VAL H H 8.642 . . 131 16 16 VAL HA H 4.156 . . 132 16 16 VAL HB H 1.606 . . 133 16 16 VAL HG1 H 0.495 . . 134 16 16 VAL HG2 H 0.662 . . 135 16 16 VAL C C 173.177 . . 136 16 16 VAL CA C 59.373 . . 137 16 16 VAL CB C 33.186 . . 138 16 16 VAL CG1 C 20.356 . . 139 16 16 VAL CG2 C 20.052 . . 140 16 16 VAL N N 123.989 . . 141 17 17 ASN H H 7.617 . . 142 17 17 ASN HA H 5.476 . . 143 17 17 ASN HB2 H 2.127 . . 144 17 17 ASN HB3 H 2.753 . . 145 17 17 ASN HD21 H 6.926 . . 146 17 17 ASN HD22 H 7.424 . . 147 17 17 ASN C C 174.527 . . 148 17 17 ASN CA C 50.363 . . 149 17 17 ASN CB C 40.665 . . 150 17 17 ASN N N 119.870 . . 151 17 17 ASN ND2 N 109.077 . . 152 18 18 PHE H H 9.547 . . 153 18 18 PHE HA H 6.173 . . 154 18 18 PHE HB2 H 2.590 . . 155 18 18 PHE HB3 H 2.590 . . 156 18 18 PHE HE1 H 7.410 . . 157 18 18 PHE HE2 H 7.410 . . 158 18 18 PHE HZ H 7.073 . . 159 18 18 PHE C C 174.816 . . 160 18 18 PHE CA C 52.231 . . 161 18 18 PHE CB C 41.159 . . 162 18 18 PHE CE1 C 130.634 . . 163 18 18 PHE CE2 C 130.634 . . 164 18 18 PHE CZ C 127.989 . . 165 18 18 PHE N N 126.021 . . 166 19 19 GLU H H 8.404 . . 167 19 19 GLU HA H 4.649 . . 168 19 19 GLU C C 174.617 . . 169 19 19 GLU CA C 53.842 . . 170 19 19 GLU CB C 30.919 . . 171 19 19 GLU N N 121.898 . . 172 20 20 LEU H H 9.108 . . 173 20 20 LEU HA H 4.573 . . 174 20 20 LEU HB2 H 1.194 . . 175 20 20 LEU HB3 H 1.745 . . 176 20 20 LEU HG H 0.771 . . 177 20 20 LEU HD1 H 0.568 . . 178 20 20 LEU HD2 H 0.568 . . 179 20 20 LEU C C 174.463 . . 180 20 20 LEU CA C 52.261 . . 181 20 20 LEU CB C 42.543 . . 182 20 20 LEU CG C 24.904 . . 183 20 20 LEU CD1 C 20.704 . . 184 20 20 LEU CD2 C 20.704 . . 185 20 20 LEU N N 126.961 . . 186 21 21 SER H H 7.709 . . 187 21 21 SER HA H 5.229 . . 188 21 21 SER HB2 H 3.503 . . 189 21 21 SER HB3 H 3.503 . . 190 21 21 SER C C 173.461 . . 191 21 21 SER CA C 55.146 . . 192 21 21 SER CB C 64.085 . . 193 21 21 SER N N 113.881 . . 194 22 22 PHE H H 9.126 . . 195 22 22 PHE HA H 4.996 . . 196 22 22 PHE HB2 H 2.992 . . 197 22 22 PHE HB3 H 2.992 . . 198 22 22 PHE HD1 H 7.188 . . 199 22 22 PHE HD2 H 7.188 . . 200 22 22 PHE HE1 H 7.497 . . 201 22 22 PHE HE2 H 7.497 . . 202 22 22 PHE HZ H 7.154 . . 203 22 22 PHE C C 173.453 . . 204 22 22 PHE CA C 54.169 . . 205 22 22 PHE CB C 40.912 . . 206 22 22 PHE CD1 C 130.990 . . 207 22 22 PHE CD2 C 130.990 . . 208 22 22 PHE CE1 C 133.184 . . 209 22 22 PHE CE2 C 133.184 . . 210 22 22 PHE CZ C 128.686 . . 211 22 22 PHE N N 123.976 . . 212 26 26 PRO C C 174.963 . . 213 26 26 PRO CA C 61.148 . . 214 26 26 PRO CB C 30.808 . . 215 27 27 SER H H 7.741 . . 216 27 27 SER HA H 4.506 . . 217 27 27 SER HB2 H 3.959 . . 218 27 27 SER HB3 H 3.959 . . 219 27 27 SER C C 175.918 . . 220 27 27 SER CA C 55.568 . . 221 27 27 SER CB C 63.920 . . 222 27 27 SER N N 110.428 . . 223 28 28 ILE H H 9.182 . . 224 28 28 ILE HA H 3.586 . . 225 28 28 ILE HB H 1.947 . . 226 28 28 ILE HG12 H 1.175 . . 227 28 28 ILE HG13 H 1.511 . . 228 28 28 ILE HG2 H 0.838 . . 229 28 28 ILE HD1 H 0.562 . . 230 28 28 ILE CA C 63.659 . . 231 28 28 ILE CB C 34.788 . . 232 28 28 ILE CG1 C 28.136 . . 233 28 28 ILE CG2 C 16.043 . . 234 28 28 ILE CD1 C 9.328 . . 235 28 28 ILE N N 121.549 . . 236 29 29 SER H H 7.445 . . 237 29 29 SER HA H 4.436 . . 238 29 29 SER HB2 H 3.801 . . 239 29 29 SER HB3 H 3.801 . . 240 29 29 SER C C 176.793 . . 241 29 29 SER CA C 56.264 . . 242 29 29 SER CB C 63.105 . . 243 29 29 SER N N 107.809 . . 244 30 30 GLU H H 7.890 . . 245 30 30 GLU HA H 4.080 . . 246 30 30 GLU HB2 H 1.982 . . 247 30 30 GLU HB3 H 1.982 . . 248 30 30 GLU HG2 H 2.326 . . 249 30 30 GLU HG3 H 2.326 . . 250 30 30 GLU C C 179.372 . . 251 30 30 GLU CA C 57.998 . . 252 30 30 GLU CB C 28.931 . . 253 30 30 GLU CG C 35.085 . . 254 30 30 GLU N N 124.633 . . 255 31 31 LEU H H 8.490 . . 256 31 31 LEU HA H 4.057 . . 257 31 31 LEU HB2 H 1.184 . . 258 31 31 LEU HB3 H 1.900 . . 259 31 31 LEU HG H 1.484 . . 260 31 31 LEU HD1 H 0.815 . . 261 31 31 LEU HD2 H 0.850 . . 262 31 31 LEU C C 177.844 . . 263 31 31 LEU CA C 57.285 . . 264 31 31 LEU CB C 41.171 . . 265 31 31 LEU CG C 26.270 . . 266 31 31 LEU CD1 C 25.145 . . 267 31 31 LEU CD2 C 23.487 . . 268 31 31 LEU N N 122.222 . . 269 32 32 THR H H 8.519 . . 270 32 32 THR HA H 3.620 . . 271 32 32 THR HB H 4.320 . . 272 32 32 THR HG2 H 1.262 . . 273 32 32 THR C C 175.673 . . 274 32 32 THR CA C 67.118 . . 275 32 32 THR CB C 67.904 . . 276 32 32 THR CG2 C 19.762 . . 277 32 32 THR N N 115.628 . . 278 33 33 ARG H H 8.052 . . 279 33 33 ARG HA H 4.278 . . 280 33 33 ARG HD2 H 3.283 . . 281 33 33 ARG HD3 H 3.283 . . 282 33 33 ARG HE H 7.192 . . 283 33 33 ARG C C 179.408 . . 284 33 33 ARG CA C 58.612 . . 285 33 33 ARG CB C 29.372 . . 286 33 33 ARG CD C 42.173 . . 287 33 33 ARG N N 121.040 . . 288 34 34 SER H H 8.112 . . 289 34 34 SER HA H 4.255 . . 290 34 34 SER CA C 61.152 . . 291 34 34 SER CB C 62.359 . . 292 34 34 SER N N 115.412 . . 293 35 35 ALA H H 8.728 . . 294 35 35 ALA HA H 3.687 . . 295 35 35 ALA HB H 1.412 . . 296 35 35 ALA C C 177.713 . . 297 35 35 ALA CA C 54.325 . . 298 35 35 ALA CB C 16.006 . . 299 35 35 ALA N N 124.071 . . 300 36 36 GLU H H 8.981 . . 301 36 36 GLU HA H 3.855 . . 302 36 36 GLU HG2 H 3.006 . . 303 36 36 GLU HG3 H 2.387 . . 304 36 36 GLU C C 180.382 . . 305 36 36 GLU CA C 59.651 . . 306 36 36 GLU CG C 36.751 . . 307 36 36 GLU N N 116.036 . . 308 37 37 THR H H 8.317 . . 309 37 37 THR HA H 3.943 . . 310 37 37 THR HB H 4.264 . . 311 37 37 THR HG2 H 1.201 . . 312 37 37 THR C C 175.199 . . 313 37 37 THR CA C 66.141 . . 314 37 37 THR CB C 67.965 . . 315 37 37 THR CG2 C 20.326 . . 316 37 37 THR N N 118.853 . . 317 38 38 ALA H H 7.567 . . 318 38 38 ALA HA H 3.959 . . 319 38 38 ALA HB H 0.884 . . 320 38 38 ALA C C 180.402 . . 321 38 38 ALA CA C 54.058 . . 322 38 38 ALA CB C 16.346 . . 323 38 38 ALA N N 123.902 . . 324 39 39 PHE H H 8.508 . . 325 39 39 PHE HA H 4.416 . . 326 39 39 PHE HB2 H 2.414 . . 327 39 39 PHE HB3 H 1.799 . . 328 39 39 PHE HD1 H 6.185 . . 329 39 39 PHE HD2 H 6.185 . . 330 39 39 PHE HE1 H 6.837 . . 331 39 39 PHE HE2 H 6.837 . . 332 39 39 PHE HZ H 6.744 . . 333 39 39 PHE C C 179.142 . . 334 39 39 PHE CA C 59.045 . . 335 39 39 PHE CB C 38.009 . . 336 39 39 PHE CD1 C 130.277 . . 337 39 39 PHE CD2 C 130.277 . . 338 39 39 PHE CE1 C 130.237 . . 339 39 39 PHE CE2 C 130.237 . . 340 39 39 PHE CZ C 130.171 . . 341 39 39 PHE N N 114.925 . . 342 40 40 SER H H 8.736 . . 343 40 40 SER HA H 4.388 . . 344 40 40 SER HB2 H 4.012 . . 345 40 40 SER HB3 H 4.012 . . 346 40 40 SER C C 176.669 . . 347 40 40 SER CA C 62.659 . . 348 40 40 SER CB C 61.809 . . 349 40 40 SER N N 118.703 . . 350 41 41 ASN H H 8.303 . . 351 41 41 ASN HA H 4.511 . . 352 41 41 ASN HB2 H 3.079 . . 353 41 41 ASN HB3 H 2.666 . . 354 41 41 ASN HD21 H 6.696 . . 355 41 41 ASN HD22 H 8.226 . . 356 41 41 ASN C C 177.569 . . 357 41 41 ASN CA C 54.704 . . 358 41 41 ASN CB C 35.564 . . 359 41 41 ASN N N 124.178 . . 360 41 41 ASN ND2 N 113.173 . . 361 42 42 GLU H H 8.026 . . 362 42 42 GLU HA H 4.500 . . 363 42 42 GLU CA C 58.133 . . 364 42 42 GLU CB C 28.179 . . 365 42 42 GLU N N 124.062 . . 366 43 43 ILE H H 8.592 . . 367 43 43 ILE HA H 4.314 . . 368 43 43 ILE HB H 1.904 . . 369 43 43 ILE HG2 H 0.536 . . 370 43 43 ILE HD1 H 0.747 . . 371 43 43 ILE C C 177.564 . . 372 43 43 ILE CA C 65.865 . . 373 43 43 ILE CB C 37.377 . . 374 43 43 ILE CG2 C 15.368 . . 375 43 43 ILE CD1 C 13.488 . . 376 43 43 ILE N N 119.669 . . 377 44 44 SER H H 7.747 . . 378 44 44 SER HA H 4.144 . . 379 44 44 SER HB2 H 4.150 . . 380 44 44 SER HB3 H 4.150 . . 381 44 44 SER C C 176.824 . . 382 44 44 SER CA C 60.378 . . 383 44 44 SER CB C 60.909 . . 384 44 44 SER N N 112.036 . . 385 45 45 LEU H H 7.751 . . 386 45 45 LEU HA H 4.217 . . 387 45 45 LEU HB2 H 1.623 . . 388 45 45 LEU HB3 H 1.896 . . 389 45 45 LEU HG H 1.707 . . 390 45 45 LEU HD1 H 0.914 . . 391 45 45 LEU HD2 H 0.915 . . 392 45 45 LEU C C 179.322 . . 393 45 45 LEU CA C 56.083 . . 394 45 45 LEU CB C 41.754 . . 395 45 45 LEU CG C 25.716 . . 396 45 45 LEU CD1 C 23.739 . . 397 45 45 LEU CD2 C 22.451 . . 398 45 45 LEU N N 119.868 . . 399 46 46 ARG H H 7.953 . . 400 46 46 ARG HA H 4.428 . . 401 46 46 ARG HB2 H 1.962 . . 402 46 46 ARG HB3 H 1.962 . . 403 46 46 ARG HG2 H 2.002 . . 404 46 46 ARG HG3 H 2.002 . . 405 46 46 ARG HD2 H 3.107 . . 406 46 46 ARG HD3 H 3.107 . . 407 46 46 ARG HE H 7.093 . . 408 46 46 ARG C C 176.822 . . 409 46 46 ARG CA C 53.391 . . 410 46 46 ARG CB C 30.594 . . 411 46 46 ARG CG C 25.836 . . 412 46 46 ARG CD C 41.383 . . 413 46 46 ARG N N 115.109 . . 414 47 47 ARG H H 7.843 . . 415 47 47 ARG HA H 3.902 . . 416 47 47 ARG HB2 H 1.889 . . 417 47 47 ARG HB3 H 1.889 . . 418 47 47 ARG HE H 7.092 . . 419 47 47 ARG C C 173.997 . . 420 47 47 ARG CA C 53.940 . . 421 47 47 ARG CB C 29.566 . . 422 47 47 ARG N N 122.194 . . 423 48 48 PRO C C 176.662 . . 424 48 48 PRO CA C 60.928 . . 425 48 48 PRO CB C 30.997 . . 426 48 48 PRO N N 114.814 . . 427 49 49 ASP H H 8.392 . . 428 49 49 ASP HA H 4.230 . . 429 49 49 ASP C C 176.693 . . 430 49 49 ASP CA C 55.636 . . 431 49 49 ASP CB C 39.963 . . 432 49 49 ASP N N 118.162 . . 433 50 50 ASN H H 8.063 . . 434 50 50 ASN HA H 4.541 . . 435 50 50 ASN HB2 H 3.080 . . 436 50 50 ASN HB3 H 2.711 . . 437 50 50 ASN HD21 H 6.743 . . 438 50 50 ASN HD22 H 7.599 . . 439 50 50 ASN C C 174.429 . . 440 50 50 ASN CA C 51.990 . . 441 50 50 ASN CB C 36.092 . . 442 50 50 ASN N N 112.476 . . 443 51 51 VAL H H 7.481 . . 444 51 51 VAL HA H 4.221 . . 445 51 51 VAL HB H 1.772 . . 446 51 51 VAL HG1 H 0.663 . . 447 51 51 VAL HG2 H 0.283 . . 448 51 51 VAL C C 172.818 . . 449 51 51 VAL CA C 58.169 . . 450 51 51 VAL CB C 32.679 . . 451 51 51 VAL CG1 C 20.528 . . 452 51 51 VAL CG2 C 17.855 . . 453 51 51 VAL N N 124.117 . . 454 52 52 PRO HA H 3.766 . . 455 52 52 PRO HB2 H 1.617 . . 456 52 52 PRO HB3 H 1.086 . . 457 52 52 PRO HD2 H 3.568 . . 458 52 52 PRO HD3 H 3.568 . . 459 52 52 PRO C C 176.467 . . 460 52 52 PRO CA C 60.048 . . 461 52 52 PRO CB C 29.084 . . 462 52 52 PRO CD C 49.082 . . 463 52 52 PRO N N 114.966 . . 464 53 53 SER H H 8.633 . . 465 53 53 SER HA H 4.766 . . 466 53 53 SER HB2 H 4.383 . . 467 53 53 SER HB3 H 4.383 . . 468 53 53 SER C C 173.891 . . 469 53 53 SER CA C 58.770 . . 470 53 53 SER CB C 62.327 . . 471 53 53 SER N N 116.636 . . 472 54 54 HIS H H 7.535 . . 473 54 54 HIS HA H 4.838 . . 474 54 54 HIS HB2 H 3.360 . . 475 54 54 HIS HB3 H 3.360 . . 476 54 54 HIS HD2 H 7.157 . . 477 54 54 HIS C C 172.328 . . 478 54 54 HIS CA C 54.734 . . 479 54 54 HIS CB C 28.633 . . 480 54 54 HIS CD2 C 119.511 . . 481 54 54 HIS N N 120.570 . . 482 55 55 LYS H H 8.705 . . 483 55 55 LYS HA H 4.407 . . 484 55 55 LYS C C 174.168 . . 485 55 55 LYS CA C 53.348 . . 486 55 55 LYS CB C 33.649 . . 487 55 55 LYS N N 118.551 . . 488 56 56 PHE H H 8.945 . . 489 56 56 PHE HA H 4.616 . . 490 56 56 PHE C C 174.223 . . 491 56 56 PHE CA C 56.190 . . 492 56 56 PHE CB C 36.387 . . 493 56 56 PHE N N 124.637 . . 494 57 57 HIS H H 7.867 . . 495 57 57 HIS HA H 4.794 . . 496 57 57 HIS HB2 H 2.989 . . 497 57 57 HIS HB3 H 2.769 . . 498 57 57 HIS HD2 H 7.008 . . 499 57 57 HIS HE1 H 7.772 . . 500 57 57 HIS C C 172.694 . . 501 57 57 HIS CA C 53.483 . . 502 57 57 HIS CB C 30.798 . . 503 57 57 HIS CD2 C 119.927 . . 504 57 57 HIS CE1 C 138.694 . . 505 57 57 HIS N N 127.585 . . 506 58 58 SER H H 9.345 . . 507 58 58 SER HA H 4.780 . . 508 58 58 SER HB2 H 3.951 . . 509 58 58 SER HB3 H 3.773 . . 510 58 58 SER C C 176.131 . . 511 58 58 SER CA C 57.243 . . 512 58 58 SER CB C 63.583 . . 513 58 58 SER N N 117.490 . . 514 59 59 SER H H 9.370 . . 515 59 59 SER HA H 4.590 . . 516 59 59 SER HB2 H 3.395 . . 517 59 59 SER HB3 H 3.775 . . 518 59 59 SER C C 174.912 . . 519 59 59 SER CA C 56.885 . . 520 59 59 SER CB C 63.075 . . 521 59 59 SER N N 120.126 . . 522 60 60 LYS H H 7.555 . . 523 60 60 LYS HA H 4.555 . . 524 60 60 LYS C C 173.472 . . 525 60 60 LYS CA C 55.235 . . 526 60 60 LYS CB C 33.127 . . 527 60 60 LYS N N 120.064 . . 528 61 61 ILE H H 8.841 . . 529 61 61 ILE HA H 5.296 . . 530 61 61 ILE HB H 1.896 . . 531 61 61 ILE HG2 H 1.091 . . 532 61 61 ILE HD1 H 0.892 . . 533 61 61 ILE C C 175.756 . . 534 61 61 ILE CA C 60.014 . . 535 61 61 ILE CB C 39.800 . . 536 61 61 ILE CG2 C 18.797 . . 537 61 61 ILE CD1 C 12.243 . . 538 61 61 ILE N N 121.990 . . 539 62 62 LYS H H 9.530 . . 540 62 62 LYS HA H 5.598 . . 541 62 62 LYS HB2 H 2.021 . . 542 62 62 LYS HB3 H 2.021 . . 543 62 62 LYS HD2 H 1.664 . . 544 62 62 LYS HD3 H 1.664 . . 545 62 62 LYS C C 174.282 . . 546 62 62 LYS CA C 53.515 . . 547 62 62 LYS CB C 36.751 . . 548 62 62 LYS CD C 28.796 . . 549 62 62 LYS N N 124.817 . . 550 63 63 MET H H 10.034 . . 551 63 63 MET HA H 5.587 . . 552 63 63 MET HB2 H 2.235 . . 553 63 63 MET HB3 H 2.235 . . 554 63 63 MET HG2 H 2.240 . . 555 63 63 MET HG3 H 2.240 . . 556 63 63 MET HE H 2.150 . . 557 63 63 MET C C 174.111 . . 558 63 63 MET CA C 52.843 . . 559 63 63 MET CB C 37.451 . . 560 63 63 MET CG C 30.749 . . 561 63 63 MET CE C 17.512 . . 562 63 63 MET N N 121.957 . . 563 64 64 TYR H H 8.714 . . 564 64 64 TYR HA H 3.674 . . 565 64 64 TYR HB2 H 0.720 . . 566 64 64 TYR HB3 H 0.720 . . 567 64 64 TYR HD1 H 5.616 . . 568 64 64 TYR HD2 H 5.616 . . 569 64 64 TYR HE1 H 6.388 . . 570 64 64 TYR HE2 H 6.388 . . 571 64 64 TYR C C 173.302 . . 572 64 64 TYR CA C 57.562 . . 573 64 64 TYR CB C 35.197 . . 574 64 64 TYR CD1 C 132.427 . . 575 64 64 TYR CD2 C 132.427 . . 576 64 64 TYR CE1 C 117.204 . . 577 64 64 TYR CE2 C 117.204 . . 578 64 64 TYR N N 129.415 . . 579 65 65 ASP H H 8.250 . . 580 65 65 ASP HA H 4.521 . . 581 65 65 ASP HB2 H 2.205 . . 582 65 65 ASP HB3 H 2.205 . . 583 65 65 ASP C C 176.009 . . 584 65 65 ASP CA C 52.015 . . 585 65 65 ASP CB C 41.323 . . 586 65 65 ASP N N 131.284 . . 587 66 66 GLU H H 8.608 . . 588 66 66 GLU HA H 3.740 . . 589 66 66 GLU HB2 H 2.164 . . 590 66 66 GLU HB3 H 2.164 . . 591 66 66 GLU HG2 H 2.352 . . 592 66 66 GLU HG3 H 2.352 . . 593 66 66 GLU C C 177.495 . . 594 66 66 GLU CA C 57.272 . . 595 66 66 GLU CB C 28.770 . . 596 66 66 GLU CG C 35.324 . . 597 66 66 GLU N N 125.474 . . 598 67 67 GLU H H 8.264 . . 599 67 67 GLU HA H 4.121 . . 600 67 67 GLU HB2 H 2.111 . . 601 67 67 GLU HB3 H 2.111 . . 602 67 67 GLU HG2 H 2.279 . . 603 67 67 GLU HG3 H 2.279 . . 604 67 67 GLU C C 178.509 . . 605 67 67 GLU CA C 57.122 . . 606 67 67 GLU CB C 28.452 . . 607 67 67 GLU CG C 35.276 . . 608 67 67 GLU N N 119.296 . . 609 68 68 LEU H H 7.775 . . 610 68 68 LEU HA H 4.174 . . 611 68 68 LEU HB2 H 1.284 . . 612 68 68 LEU HB3 H 1.331 . . 613 68 68 LEU HG H 1.590 . . 614 68 68 LEU HD1 H 0.810 . . 615 68 68 LEU HD2 H 0.773 . . 616 68 68 LEU C C 176.938 . . 617 68 68 LEU CA C 53.174 . . 618 68 68 LEU CB C 41.976 . . 619 68 68 LEU CG C 25.577 . . 620 68 68 LEU CD1 C 24.524 . . 621 68 68 LEU CD2 C 20.852 . . 622 68 68 LEU N N 117.038 . . 623 69 69 ASN H H 8.171 . . 624 69 69 ASN HA H 3.943 . . 625 69 69 ASN HB2 H 2.758 . . 626 69 69 ASN HB3 H 3.030 . . 627 69 69 ASN CA C 53.100 . . 628 69 69 ASN CB C 35.740 . . 629 69 69 ASN N N 117.375 . . 630 70 70 LYS H H 7.009 . . 631 70 70 LYS HA H 4.620 . . 632 70 70 LYS CA C 53.634 . . 633 70 70 LYS CB C 35.736 . . 634 70 70 LYS N N 113.681 . . 635 71 71 TRP H H 8.783 . . 636 71 71 TRP HA H 5.139 . . 637 71 71 TRP HB2 H 3.229 . . 638 71 71 TRP HB3 H 3.044 . . 639 71 71 TRP HD1 H 7.529 . . 640 71 71 TRP HE1 H 10.321 . . 641 71 71 TRP HE3 H 7.320 . . 642 71 71 TRP HZ2 H 7.286 . . 643 71 71 TRP HH2 H 6.778 . . 644 71 71 TRP C C 176.785 . . 645 71 71 TRP CA C 55.751 . . 646 71 71 TRP CB C 28.924 . . 647 71 71 TRP CD1 C 128.268 . . 648 71 71 TRP CE3 C 119.431 . . 649 71 71 TRP CZ2 C 114.980 . . 650 71 71 TRP CH2 C 123.549 . . 651 71 71 TRP N N 121.885 . . 652 71 71 TRP NE1 N 131.549 . . 653 72 72 VAL H H 9.692 . . 654 72 72 VAL HA H 4.903 . . 655 72 72 VAL HB H 2.359 . . 656 72 72 VAL HG1 H 0.949 . . 657 72 72 VAL HG2 H 0.955 . . 658 72 72 VAL C C 175.439 . . 659 72 72 VAL CA C 57.816 . . 660 72 72 VAL CB C 34.216 . . 661 72 72 VAL CG1 C 20.369 . . 662 72 72 VAL CG2 C 17.725 . . 663 72 72 VAL N N 118.730 . . 664 73 73 ASP H H 8.848 . . 665 73 73 ASP HA H 4.749 . . 666 73 73 ASP CA C 55.429 . . 667 73 73 ASP CB C 39.838 . . 668 73 73 ASP N N 123.194 . . 669 74 74 LEU H H 8.676 . . 670 74 74 LEU HA H 4.535 . . 671 74 74 LEU HB2 H 2.551 . . 672 74 74 LEU HB3 H 2.551 . . 673 74 74 LEU HG H 1.502 . . 674 74 74 LEU HD1 H 1.264 . . 675 74 74 LEU HD2 H 1.264 . . 676 74 74 LEU C C 174.390 . . 677 74 74 LEU CA C 53.685 . . 678 74 74 LEU CB C 40.346 . . 679 74 74 LEU CG C 27.665 . . 680 74 74 LEU CD1 C 22.854 . . 681 74 74 LEU CD2 C 22.854 . . 682 74 74 LEU N N 125.684 . . 683 75 75 ILE H H 9.536 . . 684 75 75 ILE HA H 4.511 . . 685 75 75 ILE HB H 1.984 . . 686 75 75 ILE HG12 H 1.382 . . 687 75 75 ILE HG13 H 1.227 . . 688 75 75 ILE HD1 H 0.905 . . 689 75 75 ILE C C 175.804 . . 690 75 75 ILE CA C 60.045 . . 691 75 75 ILE CB C 39.599 . . 692 75 75 ILE CG1 C 25.440 . . 693 75 75 ILE CD1 C 11.868 . . 694 75 75 ILE N N 125.355 . . 695 76 76 ARG H H 8.727 . . 696 76 76 ARG HA H 4.757 . . 697 76 76 ARG HB2 H 1.298 . . 698 76 76 ARG HB3 H 1.298 . . 699 76 76 ARG HG2 H 0.857 . . 700 76 76 ARG HG3 H 0.857 . . 701 76 76 ARG C C 176.334 . . 702 76 76 ARG CA C 54.003 . . 703 76 76 ARG CB C 33.792 . . 704 76 76 ARG CG C 26.404 . . 705 76 76 ARG N N 120.539 . . 706 77 77 GLU H H 9.306 . . 707 77 77 GLU HA H 3.829 . . 708 77 77 GLU HB2 H 1.983 . . 709 77 77 GLU HB3 H 2.194 . . 710 77 77 GLU C C 177.281 . . 711 77 77 GLU CA C 58.665 . . 712 77 77 GLU CB C 27.456 . . 713 77 77 GLU N N 122.107 . . 714 78 78 ASP H H 8.116 . . 715 78 78 ASP HA H 4.787 . . 716 78 78 ASP HB2 H 2.592 . . 717 78 78 ASP HB3 H 2.840 . . 718 78 78 ASP C C 176.922 . . 719 78 78 ASP CA C 53.900 . . 720 78 78 ASP CB C 38.605 . . 721 78 78 ASP N N 115.471 . . 722 79 79 GLN H H 7.589 . . 723 79 79 GLN HA H 4.107 . . 724 79 79 GLN HG2 H 2.514 . . 725 79 79 GLN HG3 H 2.514 . . 726 79 79 GLN HE21 H 7.053 . . 727 79 79 GLN HE22 H 7.930 . . 728 79 79 GLN C C 177.179 . . 729 79 79 GLN CA C 56.684 . . 730 79 79 GLN CB C 32.030 . . 731 79 79 GLN CG C 35.854 . . 732 79 79 GLN N N 116.954 . . 733 79 79 GLN NE2 N 109.518 . . 734 80 80 LEU H H 7.525 . . 735 80 80 LEU HA H 4.279 . . 736 80 80 LEU HD1 H 0.925 . . 737 80 80 LEU HD2 H 0.925 . . 738 80 80 LEU C C 176.537 . . 739 80 80 LEU CA C 55.009 . . 740 80 80 LEU CB C 42.590 . . 741 80 80 LEU CD1 C 24.466 . . 742 80 80 LEU CD2 C 24.466 . . 743 80 80 LEU N N 114.931 . . 744 81 81 THR H H 7.243 . . 745 81 81 THR HA H 4.798 . . 746 81 81 THR HG2 H 1.277 . . 747 81 81 THR C C 173.632 . . 748 81 81 THR CA C 58.893 . . 749 81 81 THR CB C 71.124 . . 750 81 81 THR CG2 C 20.811 . . 751 81 81 THR N N 111.532 . . 752 82 82 ASP H H 8.434 . . 753 82 82 ASP HA H 3.659 . . 754 82 82 ASP HB2 H 2.415 . . 755 82 82 ASP HB3 H 2.303 . . 756 82 82 ASP C C 177.139 . . 757 82 82 ASP CA C 55.090 . . 758 82 82 ASP CB C 40.164 . . 759 82 82 ASP N N 121.672 . . 760 83 83 TYR H H 9.623 . . 761 83 83 TYR HA H 3.536 . . 762 83 83 TYR HB2 H 3.434 . . 763 83 83 TYR HB3 H 2.825 . . 764 83 83 TYR HD1 H 7.028 . . 765 83 83 TYR HD2 H 7.028 . . 766 83 83 TYR HE1 H 6.685 . . 767 83 83 TYR HE2 H 6.685 . . 768 83 83 TYR C C 175.764 . . 769 83 83 TYR CA C 59.897 . . 770 83 83 TYR CB C 37.491 . . 771 83 83 TYR CD1 C 132.883 . . 772 83 83 TYR CD2 C 132.883 . . 773 83 83 TYR CE1 C 117.864 . . 774 83 83 TYR CE2 C 117.864 . . 775 83 83 TYR N N 125.759 . . 776 84 84 CYS H H 8.086 . . 777 84 84 CYS HA H 4.572 . . 778 84 84 CYS HB2 H 3.580 . . 779 84 84 CYS HB3 H 3.133 . . 780 84 84 CYS C C 170.458 . . 781 84 84 CYS CA C 56.588 . . 782 84 84 CYS CB C 27.649 . . 783 84 84 CYS N N 116.406 . . 784 85 85 GLN H H 9.336 . . 785 85 85 GLN HA H 4.958 . . 786 85 85 GLN HB2 H 1.974 . . 787 85 85 GLN HB3 H 1.974 . . 788 85 85 GLN HG2 H 2.333 . . 789 85 85 GLN HG3 H 2.333 . . 790 85 85 GLN CA C 53.660 . . 791 85 85 GLN CB C 28.920 . . 792 85 85 GLN CG C 35.437 . . 793 85 85 GLN N N 119.803 . . 794 86 86 LEU H H 9.550 . . 795 86 86 LEU HA H 6.136 . . 796 86 86 LEU HB2 H 2.243 . . 797 86 86 LEU HB3 H 2.243 . . 798 86 86 LEU HG H 0.944 . . 799 86 86 LEU HD1 H 1.059 . . 800 86 86 LEU HD2 H 1.059 . . 801 86 86 LEU CA C 51.761 . . 802 86 86 LEU CB C 43.592 . . 803 86 86 LEU CG C 26.410 . . 804 86 86 LEU CD1 C 23.243 . . 805 86 86 LEU CD2 C 23.243 . . 806 86 86 LEU N N 126.206 . . 807 87 87 TYR H H 9.704 . . 808 87 87 TYR HA H 5.193 . . 809 87 87 TYR HB2 H 2.010 . . 810 87 87 TYR HB3 H 2.010 . . 811 87 87 TYR HD1 H 6.113 . . 812 87 87 TYR HD2 H 6.113 . . 813 87 87 TYR HE1 H 5.711 . . 814 87 87 TYR HE2 H 5.711 . . 815 87 87 TYR HH H 8.700 . . 816 87 87 TYR C C 173.274 . . 817 87 87 TYR CA C 56.408 . . 818 87 87 TYR CB C 41.175 . . 819 87 87 TYR CD1 C 133.107 . . 820 87 87 TYR CD2 C 133.107 . . 821 87 87 TYR CE1 C 117.063 . . 822 87 87 TYR CE2 C 117.063 . . 823 87 87 TYR N N 124.878 . . 824 88 88 VAL H H 8.197 . . 825 88 88 VAL HA H 4.738 . . 826 88 88 VAL HB H 1.934 . . 827 88 88 VAL HG1 H 1.077 . . 828 88 88 VAL HG2 H 1.305 . . 829 88 88 VAL C C 173.695 . . 830 88 88 VAL CA C 60.442 . . 831 88 88 VAL CB C 31.882 . . 832 88 88 VAL CG1 C 20.379 . . 833 88 88 VAL CG2 C 21.728 . . 834 88 88 VAL N N 128.251 . . 835 89 89 PHE H H 8.857 . . 836 89 89 PHE HA H 4.568 . . 837 89 89 PHE HB2 H 3.029 . . 838 89 89 PHE HB3 H 3.029 . . 839 89 89 PHE HD1 H 7.093 . . 840 89 89 PHE HD2 H 7.093 . . 841 89 89 PHE HE1 H 7.392 . . 842 89 89 PHE HE2 H 7.392 . . 843 89 89 PHE HZ H 6.844 . . 844 89 89 PHE C C 175.594 . . 845 89 89 PHE CA C 57.083 . . 846 89 89 PHE CB C 40.211 . . 847 89 89 PHE CD1 C 131.166 . . 848 89 89 PHE CD2 C 131.166 . . 849 89 89 PHE CE1 C 132.538 . . 850 89 89 PHE CE2 C 132.538 . . 851 89 89 PHE N N 125.336 . . 852 90 90 GLN H H 8.521 . . 853 90 90 GLN HA H 5.341 . . 854 90 90 GLN CA C 53.230 . . 855 90 90 GLN CB C 31.523 . . 856 90 90 GLN N N 118.285 . . 857 91 91 PRO HA H 4.140 . . 858 91 91 PRO HB2 H 1.837 . . 859 91 91 PRO HB3 H 1.837 . . 860 91 91 PRO HG2 H 2.134 . . 861 91 91 PRO HG3 H 2.134 . . 862 91 91 PRO HD2 H 3.204 . . 863 91 91 PRO HD3 H 3.204 . . 864 91 91 PRO CA C 63.355 . . 865 91 91 PRO CB C 30.623 . . 866 91 91 PRO CG C 25.630 . . 867 91 91 PRO CD C 49.084 . . 868 91 91 PRO N N 115.026 . . 869 92 92 PRO C C 175.790 . . 870 92 92 PRO CA C 62.085 . . 871 93 93 ASN H H 7.895 . . 872 93 93 ASN HA H 4.086 . . 873 93 93 ASN HB2 H 1.301 . . 874 93 93 ASN HB3 H 1.301 . . 875 93 93 ASN CA C 52.760 . . 876 93 93 ASN N N 129.941 . . 877 94 94 GLU H H 8.154 . . 878 94 94 GLU HA H 4.768 . . 879 94 94 GLU C C 176.472 . . 880 94 94 GLU CA C 56.442 . . 881 94 94 GLU N N 116.822 . . 882 95 95 TRP H H 7.443 . . 883 95 95 TRP HA H 4.710 . . 884 95 95 TRP HB2 H 2.848 . . 885 95 95 TRP HB3 H 2.172 . . 886 95 95 TRP HD1 H 6.978 . . 887 95 95 TRP HE1 H 10.164 . . 888 95 95 TRP HE3 H 7.124 . . 889 95 95 TRP HZ2 H 7.369 . . 890 95 95 TRP HH2 H 6.795 . . 891 95 95 TRP C C 178.553 . . 892 95 95 TRP CA C 57.790 . . 893 95 95 TRP CB C 29.392 . . 894 95 95 TRP CD1 C 126.230 . . 895 95 95 TRP CE3 C 124.254 . . 896 95 95 TRP CZ2 C 114.415 . . 897 95 95 TRP CH2 C 121.448 . . 898 95 95 TRP N N 117.276 . . 899 95 95 TRP NE1 N 129.400 . . 900 96 96 HIS H H 8.578 . . 901 96 96 HIS HA H 4.963 . . 902 96 96 HIS HD2 H 6.686 . . 903 96 96 HIS HE1 H 7.136 . . 904 96 96 HIS C C 175.287 . . 905 96 96 HIS CA C 53.688 . . 906 96 96 HIS CB C 31.404 . . 907 96 96 HIS CD2 C 128.767 . . 908 96 96 HIS CE1 C 132.819 . . 909 96 96 HIS N N 119.616 . . 910 97 97 LYS H H 8.663 . . 911 97 97 LYS HA H 4.530 . . 912 97 97 LYS HB2 H 1.740 . . 913 97 97 LYS HB3 H 1.740 . . 914 97 97 LYS C C 175.296 . . 915 97 97 LYS CA C 54.256 . . 916 97 97 LYS CB C 33.260 . . 917 97 97 LYS N N 124.949 . . 918 98 98 GLU H H 8.612 . . 919 98 98 GLU HA H 4.773 . . 920 98 98 GLU HB2 H 2.263 . . 921 98 98 GLU HB3 H 2.263 . . 922 98 98 GLU C C 176.262 . . 923 98 98 GLU CA C 55.303 . . 924 98 98 GLU CB C 29.037 . . 925 98 98 GLU N N 122.717 . . 926 99 99 SER H H 8.238 . . 927 99 99 SER HA H 4.826 . . 928 99 99 SER HB2 H 3.831 . . 929 99 99 SER HB3 H 4.029 . . 930 99 99 SER CA C 56.283 . . 931 99 99 SER CB C 66.005 . . 932 99 99 SER N N 120.989 . . 933 100 100 GLN H H 8.239 . . 934 100 100 GLN HA H 4.781 . . 935 100 100 GLN C C 175.603 . . 936 100 100 GLN CA C 54.576 . . 937 100 100 GLN N N 123.467 . . 938 101 101 LYS H H 7.339 . . 939 101 101 LYS HA H 4.780 . . 940 101 101 LYS C C 176.011 . . 941 101 101 LYS CA C 56.113 . . 942 101 101 LYS CB C 33.508 . . 943 101 101 LYS N N 119.556 . . 944 102 102 GLU H H 8.506 . . 945 102 102 GLU HA H 4.044 . . 946 102 102 GLU HB2 H 1.868 . . 947 102 102 GLU HB3 H 1.868 . . 948 102 102 GLU HG2 H 2.237 . . 949 102 102 GLU HG3 H 2.237 . . 950 102 102 GLU C C 176.058 . . 951 102 102 GLU CA C 55.167 . . 952 102 102 GLU CB C 28.974 . . 953 102 102 GLU CG C 35.047 . . 954 102 102 GLU N N 120.280 . . 955 103 103 ILE H H 8.547 . . 956 103 103 ILE HA H 3.927 . . 957 103 103 ILE HB H 1.691 . . 958 103 103 ILE HG12 H 0.657 . . 959 103 103 ILE HG13 H 0.657 . . 960 103 103 ILE HG2 H 0.855 . . 961 103 103 ILE HD1 H 0.956 . . 962 103 103 ILE C C 174.491 . . 963 103 103 ILE CA C 58.695 . . 964 103 103 ILE CB C 37.060 . . 965 103 103 ILE CG1 C 28.610 . . 966 103 103 ILE CG2 C 16.612 . . 967 103 103 ILE CD1 C 11.984 . . 968 103 103 ILE N N 124.001 . . 969 105 105 PRO HA H 4.368 . . 970 105 105 PRO C C 176.720 . . 971 105 105 PRO CA C 61.702 . . 972 105 105 PRO CB C 30.859 . . 973 106 106 ALA H H 8.529 . . 974 106 106 ALA HA H 4.047 . . 975 106 106 ALA HB H 1.386 . . 976 106 106 ALA C C 177.824 . . 977 106 106 ALA CA C 51.771 . . 978 106 106 ALA CB C 17.804 . . 979 106 106 ALA N N 125.340 . . 980 107 107 MET H H 8.513 . . 981 107 107 MET HA H 4.975 . . 982 107 107 MET HB2 H 2.391 . . 983 107 107 MET HB3 H 2.391 . . 984 107 107 MET HG2 H 2.758 . . 985 107 107 MET HG3 H 2.758 . . 986 107 107 MET HE H 2.195 . . 987 107 107 MET C C 175.822 . . 988 107 107 MET CA C 52.194 . . 989 107 107 MET CB C 35.703 . . 990 107 107 MET CG C 30.140 . . 991 107 107 MET CE C 16.038 . . 992 107 107 MET N N 119.863 . . 993 108 108 LYS H H 8.741 . . 994 108 108 LYS HA H 4.658 . . 995 108 108 LYS HB2 H 1.817 . . 996 108 108 LYS HB3 H 1.817 . . 997 108 108 LYS HG2 H 1.568 . . 998 108 108 LYS HG3 H 1.568 . . 999 108 108 LYS HD2 H 1.685 . . 1000 108 108 LYS HD3 H 1.685 . . 1001 108 108 LYS HE2 H 3.016 . . 1002 108 108 LYS HE3 H 3.016 . . 1003 108 108 LYS C C 174.241 . . 1004 108 108 LYS CA C 54.057 . . 1005 108 108 LYS CB C 30.358 . . 1006 108 108 LYS CG C 23.871 . . 1007 108 108 LYS CD C 27.870 . . 1008 108 108 LYS CE C 41.099 . . 1009 108 108 LYS N N 123.688 . . stop_ save_