data_17428 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; AIDA1 PTB domain ; _BMRB_accession_number 17428 _BMRB_flat_file_name bmr17428.str _Entry_type original _Submission_date 2011-01-25 _Accession_date 2011-01-25 _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 Donaldson Logan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 568 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-14 original author . stop_ _Original_release_date 2012-08-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Improving protein solubility by aromatic ablation' _Citation_status submitted _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 Donaldson Logan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _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 'AIDA1 PTB domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PTB domain' $AIDA1 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_AIDA1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AIDA1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 189 _Mol_residue_sequence ; HHHHHHLVPRGSGYENPTYK FFETLRPPNEATALQTPVQA WQHHPEKLIAQSCDYKAAYL GSMLIKELRGTESTQDACAK MRANCQKSTEQMKKVPTIIL SVSAKGVKFIDATNKNIIAE HEIRNISCAAQDPEDLSTFA YITKDLKSNHHYCHVFTAFD VNLAAEIILTLGQAFEVAYQ LALQARKLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -33 HIS 2 -32 HIS 3 -31 HIS 4 -30 HIS 5 -29 HIS 6 -28 HIS 7 -27 LEU 8 -26 VAL 9 -25 PRO 10 -24 ARG 11 -23 GLY 12 -22 SER 13 -21 GLY 14 -20 TYR 15 -19 GLU 16 -18 ASN 17 -17 PRO 18 -16 THR 19 -15 TYR 20 -14 LYS 21 -13 PHE 22 -12 PHE 23 -11 GLU 24 -10 THR 25 -9 LEU 26 -8 ARG 27 -7 PRO 28 -6 PRO 29 -5 ASN 30 -4 GLU 31 -3 ALA 32 -2 THR 33 -1 ALA 34 0 LEU 35 1 GLN 36 2 THR 37 3 PRO 38 4 VAL 39 5 GLN 40 6 ALA 41 7 TRP 42 8 GLN 43 9 HIS 44 10 HIS 45 11 PRO 46 12 GLU 47 13 LYS 48 14 LEU 49 15 ILE 50 16 ALA 51 17 GLN 52 18 SER 53 19 CYS 54 20 ASP 55 21 TYR 56 22 LYS 57 23 ALA 58 24 ALA 59 25 TYR 60 26 LEU 61 27 GLY 62 28 SER 63 29 MET 64 30 LEU 65 31 ILE 66 32 LYS 67 33 GLU 68 34 LEU 69 35 ARG 70 36 GLY 71 37 THR 72 38 GLU 73 39 SER 74 40 THR 75 41 GLN 76 42 ASP 77 43 ALA 78 44 CYS 79 45 ALA 80 46 LYS 81 47 MET 82 48 ARG 83 49 ALA 84 50 ASN 85 51 CYS 86 52 GLN 87 53 LYS 88 54 SER 89 55 THR 90 56 GLU 91 57 GLN 92 58 MET 93 59 LYS 94 60 LYS 95 61 VAL 96 62 PRO 97 63 THR 98 64 ILE 99 65 ILE 100 66 LEU 101 67 SER 102 68 VAL 103 69 SER 104 70 ALA 105 71 LYS 106 72 GLY 107 73 VAL 108 74 LYS 109 75 PHE 110 76 ILE 111 77 ASP 112 78 ALA 113 79 THR 114 80 ASN 115 81 LYS 116 82 ASN 117 83 ILE 118 84 ILE 119 85 ALA 120 86 GLU 121 87 HIS 122 88 GLU 123 89 ILE 124 90 ARG 125 91 ASN 126 92 ILE 127 93 SER 128 94 CYS 129 95 ALA 130 96 ALA 131 97 GLN 132 98 ASP 133 99 PRO 134 100 GLU 135 101 ASP 136 102 LEU 137 103 SER 138 104 THR 139 105 PHE 140 106 ALA 141 107 TYR 142 108 ILE 143 109 THR 144 110 LYS 145 111 ASP 146 112 LEU 147 113 LYS 148 114 SER 149 115 ASN 150 116 HIS 151 117 HIS 152 118 TYR 153 119 CYS 154 120 HIS 155 121 VAL 156 122 PHE 157 123 THR 158 124 ALA 159 125 PHE 160 126 ASP 161 127 VAL 162 128 ASN 163 129 LEU 164 130 ALA 165 131 ALA 166 132 GLU 167 133 ILE 168 134 ILE 169 135 LEU 170 136 THR 171 137 LEU 172 138 GLY 173 139 GLN 174 140 ALA 175 141 PHE 176 142 GLU 177 143 VAL 178 144 ALA 179 145 TYR 180 146 GLN 181 147 LEU 182 148 ALA 183 149 LEU 184 150 GLN 185 151 ALA 186 152 ARG 187 153 LYS 188 154 LEU 189 155 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17934 "AIDA1 PTB domain" 80.42 153 100.00 100.00 3.91e-107 PDB 2M38 "Ptb Domain Of Aida1" 80.42 153 100.00 100.00 3.91e-107 DBJ BAE87950 "unnamed protein product [Macaca fascicularis]" 66.14 191 98.40 98.40 1.74e-81 GB EDL21516 "mCG122584, isoform CRA_b [Mus musculus]" 66.14 163 97.60 97.60 3.38e-81 GB EDL21517 "mCG122584, isoform CRA_b [Mus musculus]" 66.14 163 97.60 97.60 3.38e-81 GB EDL21518 "mCG122584, isoform CRA_b [Mus musculus]" 66.14 163 97.60 97.60 3.38e-81 GB EDM16964 "rCG48876, isoform CRA_d [Rattus norvegicus]" 66.14 163 97.60 97.60 2.72e-81 GB EDM16965 "rCG48876, isoform CRA_d [Rattus norvegicus]" 66.14 163 97.60 97.60 2.72e-81 REF XP_003126745 "PREDICTED: ankyrin repeat and sterile alpha motif domain-containing protein 1B-like isoform X1 [Sus scrofa]" 56.08 203 97.17 98.11 7.55e-65 REF XP_005658157 "PREDICTED: ankyrin repeat and sterile alpha motif domain-containing protein 1B-like isoform X2 [Sus scrofa]" 56.08 202 97.17 98.11 7.73e-65 REF XP_006077488 "PREDICTED: ankyrin repeat and sterile alpha motif domain-containing protein 1B-like isoform X5 [Bubalus bubalis]" 69.31 541 97.71 97.71 1.72e-81 REF XP_013846696 "PREDICTED: ankyrin repeat and sterile alpha motif domain-containing protein 1B-like isoform X3 [Sus scrofa]" 56.08 177 97.17 98.11 8.60e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AIDA1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $AIDA1 'recombinant technology' . Escherichia coli BL21 pJExpress405-kan 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 $AIDA1 0.6 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'University of Queensland' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model NMRS _Field_strength 600 _Details 'York University' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.8 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbon' ppm 0 internal direct . . . 1.0 water H 1 protons ppm 4.72 internal direct . . . 1.0 '[15N] ammonium chloride' N 15 nitrogen ppm 0 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D HN(CO)CA' '3D HNCO' '2D 1H-15N HSQC' 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 'PTB domain' _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 3 37 PRO HA H 4.4070 . 1 2 3 37 PRO HB2 H 2.2580 . 2 3 3 37 PRO HB3 H 1.8380 . 2 4 3 37 PRO HG2 H 1.9760 . 2 5 3 37 PRO HG3 H 1.9760 . 2 6 3 37 PRO HD2 H 3.7240 . 2 7 3 37 PRO HD3 H 3.8950 . 2 8 3 37 PRO C C 176.7640 . 1 9 3 37 PRO CA C 63.2890 . 1 10 3 37 PRO CB C 31.8830 . 1 11 3 37 PRO CG C 27.3710 . 1 12 3 37 PRO CD C 51.2680 . 1 13 4 38 VAL H H 8.0930 . 1 14 4 38 VAL HA H 3.9700 . 1 15 4 38 VAL HB H 1.9200 . 1 16 4 38 VAL HG1 H 0.8200 . 2 17 4 38 VAL HG2 H 0.8700 . 2 18 4 38 VAL C C 176.1730 . 1 19 4 38 VAL CA C 63.2890 . 1 20 4 38 VAL CB C 32.8200 . 1 21 4 38 VAL CG1 C 21.0700 . 1 22 4 38 VAL CG2 C 20.6740 . 1 23 4 38 VAL N N 120.4870 . 1 24 5 39 GLN H H 8.2170 . 1 25 5 39 GLN HA H 4.1870 . 1 26 5 39 GLN HB2 H 1.7820 . 2 27 5 39 GLN HB3 H 1.7000 . 2 28 5 39 GLN HG2 H 2.1900 . 2 29 5 39 GLN HG3 H 2.1900 . 2 30 5 39 GLN C C 176.2320 . 1 31 5 39 GLN CA C 55.3200 . 1 32 5 39 GLN CB C 29.0700 . 1 33 5 39 GLN CG C 33.6860 . 1 34 5 39 GLN N N 123.7190 . 1 35 6 40 ALA H H 8.1470 . 1 36 6 40 ALA HA H 4.2020 . 1 37 6 40 ALA HB H 1.2500 . 1 38 6 40 ALA C C 177.2700 . 1 39 6 40 ALA CA C 52.5080 . 1 40 6 40 ALA CB C 19.0810 . 1 41 6 40 ALA N N 125.1280 . 1 42 7 41 TRP H H 7.8100 . 1 43 7 41 TRP HA H 4.6800 . 1 44 7 41 TRP HB2 H 3.1600 . 2 45 7 41 TRP HB3 H 3.2200 . 2 46 7 41 TRP HD1 H 7.1760 . 1 47 7 41 TRP HE1 H 10.1900 . 1 48 7 41 TRP HE3 H 7.5370 . 1 49 7 41 TRP HZ2 H 7.4090 . 1 50 7 41 TRP HZ3 H 7.0800 . 1 51 7 41 TRP HH2 H 7.1220 . 1 52 7 41 TRP C C 176.4680 . 1 53 7 41 TRP CA C 56.3500 . 1 54 7 41 TRP CB C 29.8500 . 1 55 7 41 TRP CD1 C 126.9370 . 1 56 7 41 TRP CE3 C 120.9390 . 1 57 7 41 TRP CZ2 C 114.4410 . 1 58 7 41 TRP CZ3 C 121.9390 . 1 59 7 41 TRP CH2 C 124.4380 . 1 60 7 41 TRP N N 119.1570 . 1 61 7 41 TRP NE1 N 129.4920 . 1 62 11 45 PRO HA H 4.1140 . 1 63 11 45 PRO HB2 H 2.2470 . 2 64 11 45 PRO HB3 H 1.9320 . 2 65 11 45 PRO HD2 H 2.8600 . 2 66 11 45 PRO HD3 H 2.6400 . 2 67 11 45 PRO C C 177.5750 . 1 68 11 45 PRO CA C 65.1640 . 1 69 11 45 PRO CB C 31.8830 . 1 70 11 45 PRO CG C 27.6440 . 1 71 11 45 PRO CD C 56.8850 . 1 72 12 46 GLU H H 9.5600 . 1 73 12 46 GLU HA H 4.1170 . 1 74 12 46 GLU HB2 H 2.0590 . 2 75 12 46 GLU HB3 H 2.0590 . 2 76 12 46 GLU HG2 H 2.3020 . 2 77 12 46 GLU HG3 H 2.3020 . 2 78 12 46 GLU C C 178.1680 . 1 79 12 46 GLU CA C 59.0700 . 1 80 12 46 GLU CB C 29.5390 . 1 81 12 46 GLU CG C 36.4960 . 1 82 12 46 GLU N N 118.7160 . 1 83 13 47 LYS H H 7.9840 . 1 84 13 47 LYS C C 176.4760 . 1 85 13 47 LYS CA C 58.6010 . 1 86 13 47 LYS CB C 32.8200 . 1 87 13 47 LYS N N 120.7780 . 1 88 14 48 LEU HD1 H 0.6900 . 2 89 14 48 LEU HD2 H 0.7000 . 2 90 14 48 LEU CD1 C 24.6500 . 1 91 14 48 LEU CD2 C 25.5500 . 1 92 15 49 ILE HA H 3.8200 . 1 93 15 49 ILE HB H 1.6900 . 1 94 15 49 ILE HG2 H 0.8500 . 1 95 15 49 ILE HD1 H 0.7900 . 1 96 15 49 ILE C C 176.3760 . 1 97 15 49 ILE CA C 63.5700 . 1 98 15 49 ILE CB C 39.3800 . 1 99 15 49 ILE CG2 C 17.1800 . 1 100 15 49 ILE CD1 C 13.2700 . 1 101 16 50 ALA H H 8.0810 . 1 102 16 50 ALA HA H 4.4380 . 1 103 16 50 ALA HB H 1.4380 . 1 104 16 50 ALA C C 177.4940 . 1 105 16 50 ALA CA C 52.9760 . 1 106 16 50 ALA CB C 20.3330 . 1 107 16 50 ALA N N 121.3640 . 1 108 17 51 GLN H H 7.5500 . 1 109 17 51 GLN HA H 4.5730 . 1 110 17 51 GLN HB2 H 2.1010 . 2 111 17 51 GLN HB3 H 2.1010 . 2 112 17 51 GLN HG2 H 2.2580 . 2 113 17 51 GLN HG3 H 2.3570 . 2 114 17 51 GLN C C 173.6320 . 1 115 17 51 GLN CA C 54.8510 . 1 116 17 51 GLN CB C 30.4770 . 1 117 17 51 GLN CG C 33.7540 . 1 118 17 51 GLN N N 118.1090 . 1 119 18 52 SER H H 7.6660 . 1 120 18 52 SER HA H 4.3880 . 1 121 18 52 SER HB2 H 3.6600 . 2 122 18 52 SER HB3 H 3.7100 . 2 123 18 52 SER C C 173.7800 . 1 124 18 52 SER CA C 57.6640 . 1 125 18 52 SER CB C 65.1640 . 1 126 18 52 SER N N 112.3840 . 1 127 19 53 CYS H H 8.8350 . 1 128 19 53 CYS HA H 4.3300 . 1 129 19 53 CYS HB2 H 2.6700 . 2 130 19 53 CYS HB3 H 2.5300 . 2 131 19 53 CYS C C 180.3870 . 1 132 19 53 CYS CA C 58.6010 . 1 133 19 53 CYS CB C 30.0080 . 1 134 19 53 CYS N N 120.1160 . 1 135 20 54 ASP H H 7.8470 . 1 136 20 54 ASP HB2 H 2.4000 . 2 137 20 54 ASP HB3 H 2.1900 . 2 138 20 54 ASP CA C 52.9760 . 1 139 20 54 ASP CB C 42.1950 . 1 140 20 54 ASP N N 124.4160 . 1 141 21 55 TYR H H 9.0700 . 1 142 21 55 TYR HA H 4.7300 . 1 143 21 55 TYR HB2 H 2.5100 . 2 144 21 55 TYR HB3 H 2.9900 . 2 145 21 55 TYR HD1 H 6.9700 . 3 146 21 55 TYR HE1 H 6.5300 . 3 147 21 55 TYR C C 175.7930 . 1 148 21 55 TYR CA C 57.2000 . 1 149 21 55 TYR CB C 43.2400 . 1 150 21 55 TYR CD1 C 133.9300 . 1 151 21 55 TYR CE1 C 117.4400 . 1 152 21 55 TYR N N 121.2960 . 1 153 22 56 LYS H H 8.7110 . 1 154 22 56 LYS HA H 5.1920 . 1 155 22 56 LYS HB2 H 1.7950 . 2 156 22 56 LYS HB3 H 1.7950 . 2 157 22 56 LYS HG2 H 1.3810 . 2 158 22 56 LYS HG3 H 1.3810 . 2 159 22 56 LYS C C 175.7930 . 1 160 22 56 LYS CA C 56.2580 . 1 161 22 56 LYS CB C 33.7580 . 1 162 22 56 LYS CG C 25.5900 . 1 163 22 56 LYS CD C 29.4690 . 1 164 22 56 LYS N N 122.8200 . 1 165 23 57 ALA H H 8.7270 . 1 166 23 57 ALA HA H 4.7300 . 1 167 23 57 ALA HB H 1.2820 . 1 168 23 57 ALA C C 174.5150 . 1 169 23 57 ALA CA C 51.5700 . 1 170 23 57 ALA CB C 21.6280 . 1 171 23 57 ALA N N 123.0730 . 1 172 24 58 ALA H H 8.6750 . 1 173 24 58 ALA HA H 5.1810 . 1 174 24 58 ALA HB H 1.3400 . 1 175 24 58 ALA C C 176.8350 . 1 176 24 58 ALA CA C 51.5700 . 1 177 24 58 ALA CB C 20.1200 . 1 178 24 58 ALA N N 122.4860 . 1 179 25 59 TYR H H 8.2700 . 1 180 25 59 TYR HA H 5.0100 . 1 181 25 59 TYR HD1 H 6.6500 . 3 182 25 59 TYR HE1 H 6.5900 . 3 183 25 59 TYR CA C 54.3400 . 1 184 25 59 TYR CB C 39.8500 . 1 185 25 59 TYR CD1 C 132.4300 . 1 186 25 59 TYR CE1 C 117.9400 . 1 187 25 59 TYR N N 122.6980 . 1 188 26 60 LEU H H 8.7000 . 1 189 26 60 LEU HA H 3.9200 . 1 190 26 60 LEU HB2 H 1.0800 . 2 191 26 60 LEU HB3 H 1.2800 . 2 192 26 60 LEU HD1 H 0.6600 . 2 193 26 60 LEU HD2 H 0.6500 . 2 194 26 60 LEU C C 175.9830 . 1 195 26 60 LEU CA C 56.7260 . 1 196 26 60 LEU CB C 41.0700 . 1 197 26 60 LEU CG C 28.7400 . 1 198 26 60 LEU CD1 C 22.9500 . 1 199 26 60 LEU CD2 C 25.0100 . 1 200 26 60 LEU N N 127.9970 . 1 201 27 61 GLY H H 5.8910 . 1 202 27 61 GLY HA2 H 4.1870 . 2 203 27 61 GLY HA3 H 2.6500 . 2 204 27 61 GLY C C 176.2190 . 1 205 27 61 GLY CA C 43.6010 . 1 206 27 61 GLY N N 102.9010 . 1 207 28 62 SER H H 7.9810 . 1 208 28 62 SER HA H 5.7850 . 1 209 28 62 SER HB2 H 3.3100 . 2 210 28 62 SER HB3 H 3.5150 . 2 211 28 62 SER CA C 56.2580 . 1 212 28 62 SER CB C 65.6320 . 1 213 28 62 SER N N 111.5510 . 1 214 29 63 MET H H 8.7040 . 1 215 29 63 MET HA H 4.7250 . 1 216 29 63 MET HB2 H 1.9100 . 2 217 29 63 MET HB3 H 2.3300 . 2 218 29 63 MET HG2 H 2.3400 . 2 219 29 63 MET HG3 H 2.3000 . 2 220 29 63 MET HE H 1.6700 . 1 221 29 63 MET C C 174.1430 . 1 222 29 63 MET CA C 54.0360 . 1 223 29 63 MET CB C 37.2680 . 1 224 29 63 MET CG C 31.2650 . 1 225 29 63 MET CE C 16.9760 . 1 226 29 63 MET N N 119.4930 . 1 227 30 64 LEU H H 8.6300 . 1 228 30 64 LEU HA H 3.7850 . 1 229 30 64 LEU HB2 H 1.4700 . 2 230 30 64 LEU HB3 H 1.2900 . 2 231 30 64 LEU HG H 1.0000 . 1 232 30 64 LEU HD1 H 0.5400 . 2 233 30 64 LEU HD2 H 0.3500 . 2 234 30 64 LEU C C 175.8570 . 1 235 30 64 LEU CA C 56.2500 . 1 236 30 64 LEU CB C 42.6600 . 1 237 30 64 LEU CG C 27.2300 . 1 238 30 64 LEU CD1 C 25.4600 . 1 239 30 64 LEU CD2 C 23.6100 . 1 240 30 64 LEU N N 128.1500 . 1 241 31 65 ILE H H 8.5600 . 1 242 31 65 ILE HA H 4.1900 . 1 243 31 65 ILE HB H 1.7900 . 1 244 31 65 ILE HG12 H 1.3900 . 1 245 31 65 ILE HG13 H 1.0300 . 1 246 31 65 ILE HG2 H 0.6800 . 1 247 31 65 ILE HD1 H 0.6100 . 1 248 31 65 ILE C C 174.8810 . 1 249 31 65 ILE CA C 57.6600 . 1 250 31 65 ILE CB C 37.1100 . 1 251 31 65 ILE CG1 C 26.0900 . 1 252 31 65 ILE CG2 C 17.2500 . 1 253 31 65 ILE CD1 C 10.5200 . 1 254 31 65 ILE N N 127.7230 . 1 255 32 66 LYS HA H 4.0550 . 1 256 32 66 LYS HB2 H 1.7960 . 2 257 32 66 LYS HB3 H 1.6910 . 2 258 32 66 LYS HG2 H 1.3570 . 2 259 32 66 LYS HG3 H 1.3570 . 2 260 32 66 LYS HD2 H 1.1610 . 2 261 32 66 LYS HD3 H 1.1610 . 2 262 32 66 LYS C C 176.2720 . 1 263 32 66 LYS CA C 58.6010 . 1 264 32 66 LYS CB C 32.8200 . 1 265 33 67 GLU H H 7.7230 . 1 266 33 67 GLU HA H 4.3880 . 1 267 33 67 GLU HB2 H 1.7880 . 2 268 33 67 GLU HB3 H 1.8300 . 2 269 33 67 GLU HG2 H 2.1310 . 2 270 33 67 GLU HG3 H 2.0700 . 2 271 33 67 GLU C C 173.9620 . 1 272 33 67 GLU CA C 54.8510 . 1 273 33 67 GLU CB C 30.9450 . 1 274 33 67 GLU CG C 36.1030 . 1 275 33 67 GLU N N 118.6380 . 1 276 34 68 LEU H H 8.4460 . 1 277 34 68 LEU HA H 3.9450 . 1 278 34 68 LEU HB2 H 0.8700 . 2 279 34 68 LEU HB3 H 1.5700 . 2 280 34 68 LEU HD1 H 0.2800 . 2 281 34 68 LEU HD2 H 0.5990 . 2 282 34 68 LEU C C 176.8700 . 1 283 34 68 LEU CA C 54.8500 . 1 284 34 68 LEU CB C 41.7200 . 1 285 34 68 LEU CG C 27.0500 . 1 286 34 68 LEU CD1 C 24.3400 . 1 287 34 68 LEU CD2 C 24.0500 . 1 288 34 68 LEU N N 126.5350 . 1 289 35 69 ARG H H 8.6800 . 1 290 35 69 ARG HA H 4.5550 . 1 291 35 69 ARG HB2 H 1.4930 . 2 292 35 69 ARG HB3 H 1.9780 . 2 293 35 69 ARG HG2 H 1.4240 . 2 294 35 69 ARG HG3 H 1.4240 . 2 295 35 69 ARG HD2 H 3.1060 . 2 296 35 69 ARG HD3 H 3.1060 . 2 297 35 69 ARG C C 176.1100 . 1 298 35 69 ARG CA C 54.8510 . 1 299 35 69 ARG CB C 30.4770 . 1 300 35 69 ARG N N 128.4470 . 1 301 36 70 GLY H H 7.1820 . 1 302 36 70 GLY CA C 45.9060 . 1 303 36 70 GLY N N 107.4060 . 1 304 37 71 THR HA H 4.0600 . 1 305 37 71 THR HB H 4.1890 . 1 306 37 71 THR HG2 H 1.2680 . 1 307 37 71 THR C C 176.6340 . 1 308 37 71 THR CA C 65.6320 . 1 309 37 71 THR CB C 68.4450 . 1 310 37 71 THR CG2 C 22.5570 . 1 311 38 72 GLU H H 8.4500 . 1 312 38 72 GLU HA H 4.1260 . 1 313 38 72 GLU HB2 H 2.1370 . 2 314 38 72 GLU HB3 H 2.1370 . 2 315 38 72 GLU HG2 H 2.3570 . 2 316 38 72 GLU HG3 H 2.2220 . 2 317 38 72 GLU C C 179.9810 . 1 318 38 72 GLU CA C 60.0080 . 1 319 38 72 GLU CB C 29.5390 . 1 320 38 72 GLU CG C 36.8330 . 1 321 38 72 GLU N N 122.2510 . 1 322 39 73 SER H H 7.5220 . 1 323 39 73 SER C C 175.9910 . 1 324 39 73 SER CA C 62.8200 . 1 325 39 73 SER N N 115.9660 . 1 326 40 74 THR HA H 4.0490 . 1 327 40 74 THR HB H 4.1910 . 1 328 40 74 THR HG2 H 1.2080 . 1 329 40 74 THR C C 175.9720 . 1 330 40 74 THR CA C 66.1010 . 1 331 40 74 THR CB C 67.9760 . 1 332 41 75 GLN H H 8.2710 . 1 333 41 75 GLN HA H 3.7590 . 1 334 41 75 GLN C C 178.4830 . 1 335 41 75 GLN CA C 60.4760 . 1 336 41 75 GLN CB C 28.1330 . 1 337 41 75 GLN CG C 34.7950 . 1 338 41 75 GLN N N 120.3540 . 1 339 42 76 ASP H H 7.9540 . 1 340 42 76 ASP HA H 4.3590 . 1 341 42 76 ASP HB2 H 2.8240 . 2 342 42 76 ASP HB3 H 2.6410 . 2 343 42 76 ASP C C 177.4800 . 1 344 42 76 ASP CA C 57.6640 . 1 345 42 76 ASP CB C 42.1950 . 1 346 42 76 ASP N N 120.7570 . 1 347 43 77 ALA H H 7.8420 . 1 348 43 77 ALA HA H 3.9900 . 1 349 43 77 ALA HB H 1.4200 . 1 350 43 77 ALA C C 179.7670 . 1 351 43 77 ALA CA C 55.3200 . 1 352 43 77 ALA CB C 19.2300 . 1 353 43 77 ALA N N 120.5870 . 1 354 44 78 CYS H H 7.9000 . 1 355 44 78 CYS HA H 3.8950 . 1 356 44 78 CYS HB2 H 3.1650 . 2 357 44 78 CYS HB3 H 3.0060 . 2 358 44 78 CYS C C 176.0760 . 1 359 44 78 CYS CA C 64.6950 . 1 360 44 78 CYS CB C 27.6640 . 1 361 44 78 CYS N N 115.4280 . 1 362 45 79 ALA H H 7.2500 . 1 363 45 79 ALA HA H 4.0000 . 1 364 45 79 ALA HB H 1.5100 . 1 365 45 79 ALA C C 173.5060 . 1 366 45 79 ALA CA C 55.3200 . 1 367 45 79 ALA CB C 17.9400 . 1 368 45 79 ALA N N 120.4870 . 1 369 46 80 LYS H H 8.1020 . 1 370 46 80 LYS HA H 3.9470 . 1 371 46 80 LYS HB2 H 1.7970 . 2 372 46 80 LYS HB3 H 1.7280 . 2 373 46 80 LYS HG2 H 1.4880 . 2 374 46 80 LYS HG3 H 1.4880 . 2 375 46 80 LYS C C 179.5610 . 1 376 46 80 LYS CG C 26.2780 . 1 377 46 80 LYS N N 119.2670 . 1 378 47 81 MET H H 8.5850 . 1 379 47 81 MET HA H 4.2140 . 1 380 47 81 MET HB2 H 1.7930 . 2 381 47 81 MET HB3 H 1.8470 . 2 382 47 81 MET HG2 H 2.3900 . 2 383 47 81 MET HG3 H 2.4600 . 2 384 47 81 MET HE H 1.9900 . 1 385 47 81 MET C C 179.5260 . 1 386 47 81 MET CA C 57.1950 . 1 387 47 81 MET CB C 30.9450 . 1 388 47 81 MET CG C 33.8520 . 1 389 47 81 MET CE C 17.6140 . 1 390 47 81 MET N N 118.0090 . 1 391 48 82 ARG H H 8.1900 . 1 392 48 82 ARG HA H 3.8560 . 1 393 48 82 ARG HB2 H 1.8130 . 2 394 48 82 ARG HB3 H 1.8130 . 2 395 48 82 ARG C C 178.8750 . 1 396 48 82 ARG CA C 60.9450 . 1 397 48 82 ARG CB C 30.4770 . 1 398 48 82 ARG CG C 29.4910 . 1 399 48 82 ARG N N 119.9620 . 1 400 49 83 ALA H H 7.6710 . 1 401 49 83 ALA HA H 3.7430 . 1 402 49 83 ALA HB H 1.2690 . 1 403 49 83 ALA C C 180.1690 . 1 404 49 83 ALA CA C 54.8510 . 1 405 49 83 ALA CB C 17.8210 . 1 406 49 83 ALA N N 120.6400 . 1 407 50 84 ASN H H 7.8930 . 1 408 50 84 ASN HA H 4.4740 . 1 409 50 84 ASN HB2 H 2.8700 . 2 410 50 84 ASN HB3 H 2.8700 . 2 411 50 84 ASN C C 177.0840 . 1 412 50 84 ASN CA C 55.7890 . 1 413 50 84 ASN CB C 38.9140 . 1 414 50 84 ASN N N 116.0630 . 1 415 51 85 CYS H H 7.7700 . 1 416 51 85 CYS HA H 4.3060 . 1 417 51 85 CYS HB2 H 2.9460 . 2 418 51 85 CYS HB3 H 2.9460 . 2 419 51 85 CYS C C 175.0020 . 1 420 51 85 CYS CA C 61.4140 . 1 421 51 85 CYS CB C 27.6640 . 1 422 51 85 CYS N N 116.8840 . 1 423 52 86 GLN H H 7.7960 . 1 424 52 86 GLN HA H 4.2280 . 1 425 52 86 GLN HB2 H 2.1830 . 2 426 52 86 GLN HB3 H 2.0290 . 2 427 52 86 GLN HG2 H 2.3990 . 2 428 52 86 GLN HG3 H 2.4730 . 2 429 52 86 GLN CA C 56.7260 . 1 430 52 86 GLN CB C 29.0700 . 1 431 52 86 GLN CG C 34.0560 . 1 432 52 86 GLN N N 117.8310 . 1 433 53 87 LYS H H 7.6860 . 1 434 53 87 LYS CA C 57.1950 . 1 435 53 87 LYS CB C 33.2890 . 1 436 53 87 LYS N N 118.8410 . 1 437 55 89 THR HA H 4.3040 . 1 438 55 89 THR HB H 4.1990 . 1 439 55 89 THR HG2 H 1.2700 . 1 440 55 89 THR CA C 63.7570 . 1 441 55 89 THR CB C 68.9140 . 1 442 55 89 THR CG2 C 22.0110 . 1 443 56 90 GLU H H 8.3110 . 1 444 56 90 GLU HA H 4.1470 . 1 445 56 90 GLU HB2 H 2.2700 . 2 446 56 90 GLU HB3 H 2.0200 . 2 447 56 90 GLU HG2 H 2.2920 . 2 448 56 90 GLU HG3 H 2.2920 . 2 449 56 90 GLU C C 177.6560 . 1 450 56 90 GLU CA C 58.1330 . 1 451 56 90 GLU CB C 30.0080 . 1 452 56 90 GLU N N 120.8610 . 1 453 57 91 GLN H H 7.8990 . 1 454 57 91 GLN HA H 4.1420 . 1 455 57 91 GLN HB2 H 2.1570 . 2 456 57 91 GLN HB3 H 2.0850 . 2 457 57 91 GLN HG2 H 2.4040 . 2 458 57 91 GLN HG3 H 2.4040 . 2 459 57 91 GLN C C 177.2750 . 1 460 57 91 GLN CA C 57.6640 . 1 461 57 91 GLN CB C 29.0700 . 1 462 57 91 GLN CG C 34.0310 . 1 463 57 91 GLN N N 118.3970 . 1 464 58 92 MET H H 8.0360 . 1 465 58 92 MET HA H 4.3500 . 1 466 58 92 MET HB2 H 2.6340 . 2 467 58 92 MET HB3 H 2.6040 . 2 468 58 92 MET HG2 H 2.2100 . 2 469 58 92 MET HG3 H 2.2100 . 2 470 58 92 MET HE H 2.0600 . 1 471 58 92 MET C C 177.1720 . 1 472 58 92 MET CA C 56.7260 . 1 473 58 92 MET CB C 32.1960 . 1 474 58 92 MET CE C 16.9480 . 1 475 58 92 MET N N 118.8970 . 1 476 59 93 LYS H H 7.9010 . 1 477 59 93 LYS HA H 4.2310 . 1 478 59 93 LYS HB2 H 1.8630 . 2 479 59 93 LYS HB3 H 1.8630 . 2 480 59 93 LYS HG2 H 1.6880 . 2 481 59 93 LYS HG3 H 1.6880 . 2 482 59 93 LYS HD2 H 1.5210 . 2 483 59 93 LYS HD3 H 1.4300 . 2 484 59 93 LYS C C 176.6760 . 1 485 59 93 LYS CA C 57.1950 . 1 486 59 93 LYS CB C 32.8200 . 1 487 59 93 LYS CG C 25.2140 . 1 488 59 93 LYS CD C 29.1620 . 1 489 59 93 LYS N N 119.7790 . 1 490 60 94 LYS H H 7.8770 . 1 491 60 94 LYS HA H 4.3350 . 1 492 60 94 LYS HB2 H 1.9020 . 2 493 60 94 LYS HB3 H 1.7710 . 2 494 60 94 LYS HG2 H 1.6740 . 2 495 60 94 LYS HG3 H 1.6740 . 2 496 60 94 LYS HD2 H 1.4910 . 2 497 60 94 LYS HD3 H 1.3930 . 2 498 60 94 LYS C C 176.3360 . 1 499 60 94 LYS CA C 56.2580 . 1 500 60 94 LYS CB C 32.8200 . 1 501 60 94 LYS CG C 24.8860 . 1 502 60 94 LYS CD C 29.0990 . 1 503 60 94 LYS N N 119.9930 . 1 504 61 95 VAL H H 7.7080 . 1 505 61 95 VAL HA H 4.3800 . 1 506 61 95 VAL HB H 2.1900 . 1 507 61 95 VAL HG1 H 0.9900 . 2 508 61 95 VAL HG2 H 0.9300 . 2 509 61 95 VAL C C 174.2100 . 1 510 61 95 VAL CA C 60.0000 . 1 511 61 95 VAL CB C 32.3500 . 1 512 61 95 VAL CG1 C 21.0300 . 1 513 61 95 VAL CG2 C 21.9200 . 1 514 61 95 VAL N N 122.6490 . 1 515 62 96 PRO HA H 4.6630 . 1 516 62 96 PRO HB2 H 2.3690 . 2 517 62 96 PRO HB3 H 2.0040 . 2 518 62 96 PRO C C 176.6560 . 1 519 62 96 PRO CA C 62.8200 . 1 520 62 96 PRO CB C 31.8830 . 1 521 62 96 PRO CG C 27.3290 . 1 522 63 97 THR H H 8.3030 . 1 523 63 97 THR HA H 4.8300 . 1 524 63 97 THR HB H 4.1360 . 1 525 63 97 THR HG2 H 1.2700 . 1 526 63 97 THR C C 174.6820 . 1 527 63 97 THR CA C 62.8200 . 1 528 63 97 THR CB C 69.3820 . 1 529 63 97 THR CG2 C 22.2800 . 1 530 63 97 THR N N 117.1550 . 1 531 64 98 ILE H H 9.3480 . 1 532 64 98 ILE HB H 1.9800 . 1 533 64 98 ILE HG12 H 1.3400 . 1 534 64 98 ILE HG13 H 0.9800 . 1 535 64 98 ILE HG2 H 0.9200 . 1 536 64 98 ILE HD1 H 0.5480 . 1 537 64 98 ILE CA C 58.6000 . 1 538 64 98 ILE CB C 42.6900 . 1 539 64 98 ILE CG1 C 26.3200 . 1 540 64 98 ILE CG2 C 19.4650 . 1 541 64 98 ILE CD1 C 15.7100 . 1 542 64 98 ILE N N 121.0040 . 1 543 65 99 ILE HA H 4.7400 . 1 544 65 99 ILE HB H 1.7300 . 1 545 65 99 ILE HG12 H 1.4300 . 1 546 65 99 ILE HG13 H 1.0700 . 1 547 65 99 ILE HG2 H 0.7100 . 1 548 65 99 ILE HD1 H 0.8100 . 1 549 65 99 ILE C C 175.3780 . 1 550 65 99 ILE CA C 60.0800 . 1 551 65 99 ILE CB C 38.7500 . 1 552 65 99 ILE CG1 C 27.7300 . 1 553 65 99 ILE CG2 C 17.1500 . 1 554 65 99 ILE CD1 C 12.6800 . 1 555 66 100 LEU H H 9.6100 . 1 556 66 100 LEU HA H 4.8500 . 1 557 66 100 LEU HB2 H 1.6300 . 2 558 66 100 LEU HB3 H 1.1900 . 2 559 66 100 LEU HD1 H 0.3980 . 2 560 66 100 LEU HD2 H 0.3330 . 2 561 66 100 LEU C C 174.9820 . 1 562 66 100 LEU CA C 53.9100 . 1 563 66 100 LEU CB C 44.2300 . 1 564 66 100 LEU CG C 27.4100 . 1 565 66 100 LEU CD1 C 25.9200 . 1 566 66 100 LEU CD2 C 25.5900 . 1 567 66 100 LEU N N 110.3430 . 1 568 67 101 SER H H 9.2600 . 1 569 67 101 SER HA H 5.4050 . 1 570 67 101 SER HB2 H 3.7290 . 2 571 67 101 SER HB3 H 3.4400 . 2 572 67 101 SER C C 174.4050 . 1 573 67 101 SER CA C 57.1950 . 1 574 67 101 SER CB C 64.6950 . 1 575 67 101 SER N N 120.9900 . 1 576 68 102 VAL H H 9.2250 . 1 577 68 102 VAL HA H 4.4930 . 1 578 68 102 VAL HB H 2.0800 . 1 579 68 102 VAL HG1 H 0.9300 . 2 580 68 102 VAL HG2 H 0.7910 . 2 581 68 102 VAL C C 173.8910 . 1 582 68 102 VAL CA C 62.3500 . 1 583 68 102 VAL CB C 33.7500 . 1 584 68 102 VAL CG1 C 20.6600 . 1 585 68 102 VAL CG2 C 22.1800 . 1 586 68 102 VAL N N 128.1760 . 1 587 69 103 SER H H 8.8690 . 1 588 69 103 SER HA H 4.8370 . 1 589 69 103 SER HB2 H 3.8650 . 2 590 69 103 SER HB3 H 3.8650 . 2 591 69 103 SER C C 173.1880 . 1 592 69 103 SER CA C 57.1950 . 1 593 69 103 SER CB C 67.9760 . 1 594 69 103 SER N N 121.6970 . 1 595 70 104 ALA H H 8.8100 . 1 596 70 104 ALA HA H 4.1500 . 1 597 70 104 ALA HB H 1.3000 . 1 598 70 104 ALA C C 176.7140 . 1 599 70 104 ALA CA C 53.9100 . 1 600 70 104 ALA CB C 18.6000 . 1 601 70 104 ALA N N 118.6890 . 1 602 71 105 LYS H H 7.8300 . 1 603 71 105 LYS HA H 4.2750 . 1 604 71 105 LYS HB2 H 1.6050 . 2 605 71 105 LYS HB3 H 1.8640 . 2 606 71 105 LYS HG2 H 1.4370 . 2 607 71 105 LYS HG3 H 1.4370 . 2 608 71 105 LYS C C 177.0330 . 1 609 71 105 LYS CA C 57.1950 . 1 610 71 105 LYS CB C 33.2890 . 1 611 71 105 LYS N N 112.6330 . 1 612 72 106 GLY H H 7.6850 . 1 613 72 106 GLY HA2 H 3.5020 . 2 614 72 106 GLY HA3 H 4.9720 . 2 615 72 106 GLY CA C 45.4760 . 1 616 72 106 GLY N N 108.4320 . 1 617 73 107 VAL H H 8.6200 . 1 618 73 107 VAL HA H 5.0000 . 1 619 73 107 VAL HB H 1.9400 . 1 620 73 107 VAL HG1 H 0.7300 . 2 621 73 107 VAL HG2 H 0.9600 . 2 622 73 107 VAL CA C 60.4700 . 1 623 73 107 VAL CB C 35.6300 . 1 624 73 107 VAL CG1 C 22.8700 . 1 625 73 107 VAL CG2 C 22.6800 . 1 626 73 107 VAL N N 120.4140 . 1 627 74 108 LYS H H 8.7830 . 1 628 74 108 LYS HA H 5.0160 . 1 629 74 108 LYS HB2 H 1.6960 . 2 630 74 108 LYS HB3 H 1.6960 . 2 631 74 108 LYS HG2 H 1.5530 . 2 632 74 108 LYS HG3 H 1.5530 . 2 633 74 108 LYS HD2 H 1.4070 . 2 634 74 108 LYS HD3 H 1.2400 . 2 635 74 108 LYS CA C 54.3830 . 1 636 74 108 LYS CB C 36.5700 . 1 637 74 108 LYS CG C 25.1200 . 1 638 74 108 LYS N N 125.2570 . 1 639 75 109 PHE H H 8.4320 . 1 640 75 109 PHE HA H 5.7000 . 1 641 75 109 PHE HB2 H 2.9200 . 2 642 75 109 PHE HB3 H 2.9500 . 2 643 75 109 PHE HD1 H 6.5900 . 3 644 75 109 PHE HE1 H 6.7100 . 3 645 75 109 PHE CA C 53.9200 . 1 646 75 109 PHE CB C 40.6100 . 1 647 75 109 PHE CD1 C 130.4600 . 1 648 75 109 PHE CE1 C 131.4600 . 1 649 75 109 PHE N N 119.4140 . 1 650 76 110 ILE H H 8.9600 . 1 651 76 110 ILE HA H 4.8400 . 1 652 76 110 ILE HB H 1.6610 . 1 653 76 110 ILE HG12 H 1.5900 . 1 654 76 110 ILE HG13 H 1.0700 . 1 655 76 110 ILE HG2 H 0.7000 . 1 656 76 110 ILE HD1 H 0.7300 . 1 657 76 110 ILE C C 175.2490 . 1 658 76 110 ILE CA C 59.0700 . 1 659 76 110 ILE CB C 41.2200 . 1 660 76 110 ILE CG1 C 27.6400 . 1 661 76 110 ILE CG2 C 17.1000 . 1 662 76 110 ILE CD1 C 13.5900 . 1 663 76 110 ILE N N 121.4300 . 1 664 77 111 ASP H H 8.7500 . 1 665 77 111 ASP HA H 4.5630 . 1 666 77 111 ASP HB2 H 2.5840 . 2 667 77 111 ASP HB3 H 3.1980 . 2 668 77 111 ASP C C 177.5690 . 1 669 77 111 ASP CA C 55.7890 . 1 670 77 111 ASP CB C 43.6010 . 1 671 77 111 ASP N N 125.7440 . 1 672 78 112 ALA H H 8.7000 . 1 673 78 112 ALA HA H 3.9700 . 1 674 78 112 ALA HB H 1.3300 . 1 675 78 112 ALA C C 178.0520 . 1 676 78 112 ALA CA C 54.8300 . 1 677 78 112 ALA CB C 18.7930 . 1 678 78 112 ALA N N 128.6320 . 1 679 79 113 THR H H 8.7790 . 1 680 79 113 THR HA H 4.1940 . 1 681 79 113 THR HB H 3.9490 . 1 682 79 113 THR HG2 H 1.2900 . 1 683 79 113 THR C C 175.5870 . 1 684 79 113 THR CA C 64.6950 . 1 685 79 113 THR CB C 69.3820 . 1 686 79 113 THR CG2 C 21.6600 . 1 687 79 113 THR N N 113.0870 . 1 688 80 114 ASN H H 8.5840 . 1 689 80 114 ASN HA H 4.7370 . 1 690 80 114 ASN HB2 H 2.9680 . 2 691 80 114 ASN HB3 H 2.7100 . 2 692 80 114 ASN CA C 53.4450 . 1 693 80 114 ASN CB C 39.3830 . 1 694 80 114 ASN N N 118.4340 . 1 695 81 115 LYS H H 7.9660 . 1 696 81 115 LYS C C 174.9090 . 1 697 81 115 LYS CA C 57.6640 . 1 698 81 115 LYS CB C 28.6020 . 1 699 81 115 LYS CG C 25.0670 . 1 700 81 115 LYS N N 112.4290 . 1 701 82 116 ASN H H 8.4550 . 1 702 82 116 ASN HA H 4.5900 . 1 703 82 116 ASN HB2 H 2.7200 . 2 704 82 116 ASN HB3 H 2.5850 . 2 705 82 116 ASN C C 174.9990 . 1 706 82 116 ASN CA C 52.9760 . 1 707 82 116 ASN CB C 38.4450 . 1 708 82 116 ASN N N 116.8060 . 1 709 83 117 ILE H H 8.6500 . 1 710 83 117 ILE HA H 4.0300 . 1 711 83 117 ILE HB H 1.7360 . 1 712 83 117 ILE HG12 H 1.6200 . 1 713 83 117 ILE HG13 H 0.9500 . 1 714 83 117 ILE HG2 H 0.6700 . 1 715 83 117 ILE HD1 H 0.8100 . 1 716 83 117 ILE C C 176.5720 . 1 717 83 117 ILE CA C 62.3500 . 1 718 83 117 ILE CB C 37.9700 . 1 719 83 117 ILE CG1 C 28.4500 . 1 720 83 117 ILE CG2 C 17.7900 . 1 721 83 117 ILE CD1 C 13.3800 . 1 722 83 117 ILE N N 122.4470 . 1 723 84 118 ILE H H 8.9300 . 1 724 84 118 ILE HA H 3.9200 . 1 725 84 118 ILE HB H 1.4700 . 1 726 84 118 ILE HG12 H 1.0700 . 1 727 84 118 ILE HG13 H 1.0700 . 1 728 84 118 ILE HG2 H 0.8500 . 1 729 84 118 ILE HD1 H 0.9100 . 1 730 84 118 ILE C C 175.8730 . 1 731 84 118 ILE CA C 62.8100 . 1 732 84 118 ILE CB C 38.8400 . 1 733 84 118 ILE CG1 C 28.0000 . 1 734 84 118 ILE CG2 C 17.3400 . 1 735 84 118 ILE CD1 C 14.0000 . 1 736 84 118 ILE N N 129.3390 . 1 737 85 119 ALA H H 7.0480 . 1 738 85 119 ALA C C 174.1000 . 1 739 85 119 ALA CA C 51.5700 . 1 740 85 119 ALA N N 118.8670 . 1 741 87 121 HIS HA H 5.1540 . 1 742 87 121 HIS HB2 H 2.9000 . 2 743 87 121 HIS HB3 H 3.0300 . 2 744 87 121 HIS C C 174.9860 . 1 745 87 121 HIS CB C 34.3500 . 1 746 88 122 GLU H H 9.1060 . 1 747 88 122 GLU HA H 4.5210 . 1 748 88 122 GLU HB2 H 2.3300 . 2 749 88 122 GLU HB3 H 2.3300 . 2 750 88 122 GLU HG2 H 2.4340 . 2 751 88 122 GLU HG3 H 2.4340 . 2 752 88 122 GLU C C 179.0470 . 1 753 88 122 GLU CA C 56.7260 . 1 754 88 122 GLU CB C 30.4770 . 1 755 88 122 GLU CG C 37.1050 . 1 756 88 122 GLU N N 125.3720 . 1 757 89 123 ILE H H 8.0550 . 1 758 89 123 ILE HA H 4.0190 . 1 759 89 123 ILE HB H 1.3700 . 1 760 89 123 ILE HG12 H 1.2900 . 1 761 89 123 ILE HG13 H 0.9700 . 1 762 89 123 ILE HG2 H 0.9560 . 1 763 89 123 ILE HD1 H 0.7300 . 1 764 89 123 ILE C C 176.0950 . 1 765 89 123 ILE CA C 62.3510 . 1 766 89 123 ILE CB C 38.9140 . 1 767 89 123 ILE CG2 C 18.6100 . 1 768 89 123 ILE CD1 C 13.7800 . 1 769 89 123 ILE N N 124.1320 . 1 770 90 124 ARG H H 8.0450 . 1 771 90 124 ARG HA H 4.3380 . 1 772 90 124 ARG HB2 H 1.7590 . 2 773 90 124 ARG HB3 H 1.7590 . 2 774 90 124 ARG C C 176.5780 . 1 775 90 124 ARG CA C 57.6640 . 1 776 90 124 ARG CB C 29.0700 . 1 777 90 124 ARG CG C 27.3050 . 1 778 90 124 ARG N N 116.9490 . 1 779 91 125 ASN H H 8.0670 . 1 780 91 125 ASN HA H 5.1530 . 1 781 91 125 ASN HB2 H 3.3810 . 2 782 91 125 ASN HB3 H 2.8880 . 2 783 91 125 ASN C C 174.5950 . 1 784 91 125 ASN CA C 52.5080 . 1 785 91 125 ASN CB C 39.8520 . 1 786 91 125 ASN N N 116.3200 . 1 787 92 126 ILE H H 7.4830 . 1 788 92 126 ILE HA H 5.0730 . 1 789 92 126 ILE HB H 1.9200 . 1 790 92 126 ILE HG2 H 0.7200 . 1 791 92 126 ILE HD1 H 0.5300 . 1 792 92 126 ILE C C 175.2290 . 1 793 92 126 ILE CA C 61.8800 . 1 794 92 126 ILE CB C 39.8500 . 1 795 92 126 ILE CG1 C 27.1400 . 1 796 92 126 ILE CG2 C 16.3000 . 1 797 92 126 ILE CD1 C 14.2700 . 1 798 92 126 ILE N N 122.4410 . 1 799 93 127 SER H H 9.5450 . 1 800 93 127 SER HA H 4.6840 . 1 801 93 127 SER HB2 H 3.8790 . 2 802 93 127 SER HB3 H 3.9620 . 2 803 93 127 SER C C 180.7440 . 1 804 93 127 SER CA C 57.6640 . 1 805 93 127 SER CB C 66.5700 . 1 806 93 127 SER N N 120.3290 . 1 807 94 128 CYS H H 8.8580 . 1 808 94 128 CYS HA H 3.8120 . 1 809 94 128 CYS HB2 H 2.6370 . 2 810 94 128 CYS HB3 H 2.8740 . 2 811 94 128 CYS C C 173.9730 . 1 812 94 128 CYS CA C 59.5390 . 1 813 94 128 CYS CB C 26.2580 . 1 814 94 128 CYS N N 110.9000 . 1 815 95 129 ALA H H 8.3600 . 1 816 95 129 ALA HA H 4.4300 . 1 817 95 129 ALA HB H 1.4400 . 1 818 95 129 ALA C C 178.0980 . 1 819 95 129 ALA CA C 52.6500 . 1 820 95 129 ALA CB C 19.3000 . 1 821 95 129 ALA N N 121.3790 . 1 822 96 130 ALA H H 9.0800 . 1 823 96 130 ALA HA H 4.6800 . 1 824 96 130 ALA HB H 1.4360 . 1 825 96 130 ALA C C 175.7160 . 1 826 96 130 ALA CA C 52.4400 . 1 827 96 130 ALA CB C 22.7000 . 1 828 96 130 ALA N N 122.5760 . 1 829 97 131 GLN H H 8.3690 . 1 830 97 131 GLN HA H 4.9300 . 1 831 97 131 GLN HB2 H 2.2280 . 2 832 97 131 GLN HB3 H 1.7690 . 2 833 97 131 GLN HG2 H 2.1210 . 2 834 97 131 GLN HG3 H 2.1210 . 2 835 97 131 GLN C C 175.2700 . 1 836 97 131 GLN CA C 54.8510 . 1 837 97 131 GLN CB C 33.7580 . 1 838 97 131 GLN CG C 36.4600 . 1 839 97 131 GLN N N 116.9030 . 1 840 98 132 ASP H H 8.3950 . 1 841 98 132 ASP C C 175.2170 . 1 842 98 132 ASP CA C 52.0390 . 1 843 98 132 ASP CB C 42.1950 . 1 844 98 132 ASP N N 124.9710 . 1 845 99 133 PRO HA H 4.2340 . 1 846 99 133 PRO HB2 H 2.2920 . 2 847 99 133 PRO HB3 H 1.9410 . 2 848 99 133 PRO C C 178.4330 . 1 849 99 133 PRO CA C 64.6950 . 1 850 99 133 PRO CB C 32.3520 . 1 851 99 133 PRO CG C 27.3540 . 1 852 100 134 GLU H H 8.6430 . 1 853 100 134 GLU HA H 4.2200 . 1 854 100 134 GLU HB2 H 2.1060 . 2 855 100 134 GLU HB3 H 1.8010 . 2 856 100 134 GLU HG2 H 2.2640 . 2 857 100 134 GLU HG3 H 2.2640 . 2 858 100 134 GLU C C 176.6780 . 1 859 100 134 GLU CA C 56.7260 . 1 860 100 134 GLU CB C 30.9450 . 1 861 100 134 GLU CG C 36.8350 . 1 862 100 134 GLU N N 116.2230 . 1 863 101 135 ASP H H 7.5970 . 1 864 101 135 ASP HA H 4.5430 . 1 865 101 135 ASP HB2 H 2.5030 . 2 866 101 135 ASP HB3 H 2.4380 . 2 867 101 135 ASP C C 174.7710 . 1 868 101 135 ASP CA C 53.9140 . 1 869 101 135 ASP CB C 40.7890 . 1 870 101 135 ASP N N 119.0530 . 1 871 102 136 LEU H H 8.5340 . 1 872 102 136 LEU HA H 4.3900 . 1 873 102 136 LEU HB2 H 1.6270 . 2 874 102 136 LEU HB3 H 1.6270 . 2 875 102 136 LEU HD1 H 0.8240 . 2 876 102 136 LEU HD2 H 0.9200 . 2 877 102 136 LEU C C 177.1410 . 1 878 102 136 LEU CA C 57.6600 . 1 879 102 136 LEU CB C 42.6600 . 1 880 102 136 LEU CG C 28.1400 . 1 881 102 136 LEU CD1 C 23.7600 . 1 882 102 136 LEU CD2 C 25.6900 . 1 883 102 136 LEU N N 123.9860 . 1 884 103 137 SER H H 7.8670 . 1 885 103 137 SER HA H 4.2900 . 1 886 103 137 SER HB2 H 3.9450 . 2 887 103 137 SER HB3 H 3.7370 . 2 888 103 137 SER C C 174.1060 . 1 889 103 137 SER CA C 60.9450 . 1 890 103 137 SER CB C 63.7570 . 1 891 103 137 SER N N 112.3390 . 1 892 104 138 THR H H 8.8300 . 1 893 104 138 THR HA H 5.3730 . 1 894 104 138 THR HB H 4.4130 . 1 895 104 138 THR HG2 H 1.2490 . 1 896 104 138 THR C C 180.6930 . 1 897 104 138 THR CA C 63.2890 . 1 898 104 138 THR CB C 69.3820 . 1 899 104 138 THR CG2 C 21.2900 . 1 900 104 138 THR N N 123.0700 . 1 901 105 139 PHE H H 9.1700 . 1 902 105 139 PHE HA H 5.4700 . 1 903 105 139 PHE HB2 H 2.8100 . 2 904 105 139 PHE HB3 H 3.0200 . 2 905 105 139 PHE HD1 H 7.0500 . 3 906 105 139 PHE HE1 H 6.6900 . 3 907 105 139 PHE C C 179.2110 . 1 908 105 139 PHE CA C 55.3200 . 1 909 105 139 PHE CB C 41.7900 . 1 910 105 139 PHE CD1 C 131.9400 . 1 911 105 139 PHE CE1 C 129.4300 . 1 912 105 139 PHE N N 122.5820 . 1 913 106 140 ALA H H 8.7700 . 1 914 106 140 ALA HB H 1.2300 . 1 915 106 140 ALA C C 175.6030 . 1 916 106 140 ALA N N 119.5670 . 1 917 107 141 TYR H H 7.9500 . 1 918 107 141 TYR HA H 4.9200 . 1 919 107 141 TYR HB2 H 2.9800 . 2 920 107 141 TYR HB3 H 3.1700 . 2 921 107 141 TYR HD1 H 6.8900 . 3 922 107 141 TYR HE1 H 6.6700 . 3 923 107 141 TYR C C 180.4260 . 1 924 107 141 TYR CA C 57.0800 . 1 925 107 141 TYR CB C 40.7890 . 1 926 107 141 TYR CD1 C 132.9600 . 1 927 107 141 TYR CE1 C 117.4400 . 1 928 107 141 TYR N N 109.9330 . 1 929 108 142 ILE H H 8.8690 . 1 930 108 142 ILE HA H 5.3700 . 1 931 108 142 ILE HB H 1.8200 . 1 932 108 142 ILE HG12 H 0.8000 . 1 933 108 142 ILE HG13 H 0.9500 . 1 934 108 142 ILE HG2 H 0.8900 . 1 935 108 142 ILE HD1 H 0.6500 . 1 936 108 142 ILE C C 176.2120 . 1 937 108 142 ILE CA C 59.5400 . 1 938 108 142 ILE CB C 39.3800 . 1 939 108 142 ILE CG1 C 28.7700 . 1 940 108 142 ILE CG2 C 18.3100 . 1 941 108 142 ILE CD1 C 13.3800 . 1 942 108 142 ILE N N 120.6130 . 1 943 109 143 THR H H 9.4890 . 1 944 109 143 THR HA H 5.6690 . 1 945 109 143 THR HB H 4.0870 . 1 946 109 143 THR HG2 H 0.8440 . 1 947 109 143 THR C C 173.5050 . 1 948 109 143 THR CA C 59.0700 . 1 949 109 143 THR CG2 C 21.0610 . 1 950 109 143 THR N N 116.5050 . 1 951 110 144 LYS H H 7.8310 . 1 952 110 144 LYS HA H 4.4600 . 1 953 110 144 LYS HB2 H 1.7690 . 2 954 110 144 LYS HB3 H 1.5970 . 2 955 110 144 LYS HG2 H 1.5970 . 2 956 110 144 LYS HG3 H 1.5970 . 2 957 110 144 LYS HD2 H 1.0520 . 2 958 110 144 LYS HD3 H 0.6780 . 2 959 110 144 LYS C C 175.9370 . 1 960 110 144 LYS CA C 55.7890 . 1 961 110 144 LYS CB C 34.2270 . 1 962 110 144 LYS CG C 24.8920 . 1 963 110 144 LYS CD C 29.0700 . 1 964 110 144 LYS N N 122.9600 . 1 965 111 145 ASP H H 8.7690 . 1 966 111 145 ASP HA H 4.7810 . 1 967 111 145 ASP HB2 H 3.0280 . 2 968 111 145 ASP HB3 H 2.6220 . 2 969 111 145 ASP C C 176.3960 . 1 970 111 145 ASP CA C 53.9140 . 1 971 111 145 ASP CB C 43.1330 . 1 972 111 145 ASP N N 127.4090 . 1 973 112 146 LEU H H 8.5930 . 1 974 112 146 LEU HA H 4.1500 . 1 975 112 146 LEU HB2 H 1.6800 . 2 976 112 146 LEU HB3 H 1.8200 . 2 977 112 146 LEU HD1 H 1.0000 . 2 978 112 146 LEU HD2 H 0.8700 . 2 979 112 146 LEU C C 178.5530 . 1 980 112 146 LEU CA C 57.1900 . 1 981 112 146 LEU CB C 41.7900 . 1 982 112 146 LEU CG C 27.6300 . 1 983 112 146 LEU CD1 C 25.0000 . 1 984 112 146 LEU CD2 C 22.9800 . 1 985 112 146 LEU N N 125.9130 . 1 986 113 147 LYS H H 8.2070 . 1 987 113 147 LYS HA H 4.2620 . 1 988 113 147 LYS HB2 H 1.9390 . 2 989 113 147 LYS HB3 H 1.9390 . 2 990 113 147 LYS HD2 H 1.4840 . 2 991 113 147 LYS HD3 H 1.3850 . 2 992 113 147 LYS C C 177.1800 . 1 993 113 147 LYS CA C 58.1330 . 1 994 113 147 LYS CB C 32.8200 . 1 995 113 147 LYS CG C 24.9570 . 1 996 113 147 LYS N N 117.1890 . 1 997 114 148 SER H H 7.7550 . 1 998 114 148 SER CA C 58.6010 . 1 999 114 148 SER CB C 65.1640 . 1 1000 114 148 SER N N 112.4920 . 1 1001 115 149 ASN HA H 4.3890 . 1 1002 115 149 ASN HB2 H 2.7360 . 2 1003 115 149 ASN HB3 H 3.0010 . 2 1004 115 149 ASN C C 174.2030 . 1 1005 115 149 ASN CA C 54.3830 . 1 1006 115 149 ASN CB C 37.9770 . 1 1007 116 150 HIS H H 7.6900 . 1 1008 116 150 HIS HA H 4.9300 . 1 1009 116 150 HIS HB2 H 2.7800 . 2 1010 116 150 HIS HB3 H 2.9000 . 2 1011 116 150 HIS C C 173.8980 . 1 1012 116 150 HIS CA C 54.9100 . 1 1013 116 150 HIS CB C 32.6500 . 1 1014 116 150 HIS N N 116.8220 . 1 1015 117 151 HIS H H 8.3400 . 1 1016 117 151 HIS HA H 5.3200 . 1 1017 117 151 HIS C C 173.6950 . 1 1018 117 151 HIS CA C 56.3500 . 1 1019 117 151 HIS CB C 32.3500 . 1 1020 117 151 HIS N N 118.2530 . 1 1021 118 152 TYR H H 9.0800 . 1 1022 118 152 TYR HA H 5.0100 . 1 1023 118 152 TYR HB2 H 2.2500 . 2 1024 118 152 TYR HB3 H 2.6400 . 2 1025 118 152 TYR HD1 H 6.7500 . 3 1026 118 152 TYR HE1 H 6.7000 . 3 1027 118 152 TYR C C 173.5300 . 1 1028 118 152 TYR CA C 56.7300 . 1 1029 118 152 TYR CB C 43.2400 . 1 1030 118 152 TYR CD1 C 132.4300 . 1 1031 118 152 TYR CE1 C 118.4400 . 1 1032 118 152 TYR N N 118.3010 . 1 1033 119 153 CYS H H 9.1200 . 1 1034 119 153 CYS HA H 5.0630 . 1 1035 119 153 CYS HB2 H 2.3870 . 2 1036 119 153 CYS HB3 H 2.3870 . 2 1037 119 153 CYS C C 180.6640 . 1 1038 119 153 CYS CA C 56.7260 . 1 1039 119 153 CYS CB C 29.5390 . 1 1040 119 153 CYS N N 121.0150 . 1 1041 120 154 HIS H H 8.4820 . 1 1042 120 154 HIS HA H 4.6990 . 1 1043 120 154 HIS C C 180.7760 . 1 1044 120 154 HIS CA C 55.3200 . 1 1045 120 154 HIS CB C 32.3520 . 1 1046 120 154 HIS N N 110.1340 . 1 1047 121 155 VAL H H 7.9290 . 1 1048 121 155 VAL HA H 4.3500 . 1 1049 121 155 VAL HB H 1.5200 . 1 1050 121 155 VAL HG1 H 0.6900 . 2 1051 121 155 VAL HG2 H 0.9400 . 2 1052 121 155 VAL C C 173.4190 . 1 1053 121 155 VAL CA C 61.4100 . 1 1054 121 155 VAL CB C 33.2800 . 1 1055 121 155 VAL CG1 C 20.9800 . 1 1056 121 155 VAL CG2 C 23.4700 . 1 1057 121 155 VAL N N 120.8550 . 1 1058 122 156 PHE H H 8.9100 . 1 1059 122 156 PHE HA H 5.4200 . 1 1060 122 156 PHE HB2 H 1.0900 . 2 1061 122 156 PHE HB3 H 2.4600 . 2 1062 122 156 PHE HD1 H 6.5400 . 3 1063 122 156 PHE HE1 H 6.9000 . 3 1064 122 156 PHE C C 174.8760 . 1 1065 122 156 PHE CA C 55.3200 . 1 1066 122 156 PHE CB C 44.5400 . 1 1067 122 156 PHE CD1 C 131.9400 . 1 1068 122 156 PHE N N 124.3840 . 1 1069 123 157 THR H H 8.6680 . 1 1070 123 157 THR HA H 5.1470 . 1 1071 123 157 THR HB H 3.7130 . 1 1072 123 157 THR HG2 H 0.9550 . 1 1073 123 157 THR C C 174.0960 . 1 1074 123 157 THR CA C 61.8430 . 1 1075 123 157 THR CB C 71.2180 . 1 1076 123 157 THR N N 112.4510 . 1 1077 124 158 ALA H H 9.1800 . 1 1078 124 158 ALA HA H 4.7200 . 1 1079 124 158 ALA HB H 1.7000 . 1 1080 124 158 ALA C C 177.1680 . 1 1081 124 158 ALA CA C 50.8900 . 1 1082 124 158 ALA CB C 21.1000 . 1 1083 124 158 ALA N N 128.9220 . 1 1084 125 159 PHE H H 8.5600 . 1 1085 125 159 PHE HA H 4.2900 . 1 1086 125 159 PHE HB2 H 3.2400 . 2 1087 125 159 PHE HB3 H 3.3000 . 2 1088 125 159 PHE HD1 H 7.2800 . 3 1089 125 159 PHE HE1 H 7.2800 . 3 1090 125 159 PHE C C 174.7030 . 1 1091 125 159 PHE CA C 60.4700 . 1 1092 125 159 PHE CB C 38.0600 . 1 1093 125 159 PHE CD1 C 131.4900 . 1 1094 125 159 PHE CE1 C 131.4900 . 1 1095 125 159 PHE N N 115.4270 . 1 1096 126 160 ASP H H 7.4170 . 1 1097 126 160 ASP HA H 4.8430 . 1 1098 126 160 ASP HB2 H 2.7050 . 2 1099 126 160 ASP HB3 H 2.8970 . 2 1100 126 160 ASP C C 176.5320 . 1 1101 126 160 ASP CA C 53.4450 . 1 1102 126 160 ASP CB C 44.0700 . 1 1103 126 160 ASP N N 115.7450 . 1 1104 127 161 VAL H H 8.5080 . 1 1105 127 161 VAL HA H 3.5900 . 1 1106 127 161 VAL HB H 2.0500 . 1 1107 127 161 VAL HG1 H 0.9900 . 2 1108 127 161 VAL HG2 H 0.9600 . 2 1109 127 161 VAL C C 176.8630 . 1 1110 127 161 VAL CA C 65.6300 . 1 1111 127 161 VAL CB C 31.8300 . 1 1112 127 161 VAL CG1 C 21.0200 . 1 1113 127 161 VAL CG2 C 21.2000 . 1 1114 127 161 VAL N N 121.9230 . 1 1115 128 162 ASN H H 8.2070 . 1 1116 128 162 ASN HA H 4.4760 . 1 1117 128 162 ASN HB2 H 2.9580 . 2 1118 128 162 ASN HB3 H 2.7560 . 2 1119 128 162 ASN C C 178.2510 . 1 1120 128 162 ASN CA C 56.2580 . 1 1121 128 162 ASN CB C 37.9770 . 1 1122 128 162 ASN N N 118.8510 . 1 1123 129 163 LEU H H 8.2230 . 1 1124 129 163 LEU HA H 4.2100 . 1 1125 129 163 LEU HB2 H 1.6900 . 2 1126 129 163 LEU HB3 H 1.8500 . 2 1127 129 163 LEU HD1 H 1.2210 . 2 1128 129 163 LEU HD2 H 1.1900 . 2 1129 129 163 LEU C C 178.0030 . 1 1130 129 163 LEU CA C 57.1900 . 1 1131 129 163 LEU CB C 41.7900 . 1 1132 129 163 LEU CG C 27.3200 . 1 1133 129 163 LEU CD1 C 24.8900 . 1 1134 129 163 LEU CD2 C 24.8000 . 1 1135 129 163 LEU N N 122.5490 . 1 1136 130 164 ALA H H 7.3600 . 1 1137 130 164 ALA HA H 3.3100 . 1 1138 130 164 ALA HB H 1.5900 . 1 1139 130 164 ALA C C 178.1720 . 1 1140 130 164 ALA CA C 55.7800 . 1 1141 130 164 ALA CB C 19.0700 . 1 1142 130 164 ALA N N 120.0360 . 1 1143 131 165 ALA H H 7.3600 . 1 1144 131 165 ALA HA H 3.7100 . 1 1145 131 165 ALA HB H 1.4870 . 1 1146 131 165 ALA C C 180.1630 . 1 1147 131 165 ALA CA C 55.7800 . 1 1148 131 165 ALA CB C 17.8300 . 1 1149 131 165 ALA N N 116.9890 . 1 1150 132 166 GLU H H 7.6730 . 1 1151 132 166 GLU HA H 3.8880 . 1 1152 132 166 GLU HB2 H 1.4930 . 2 1153 132 166 GLU HB3 H 2.1600 . 2 1154 132 166 GLU C C 179.2430 . 1 1155 132 166 GLU CA C 59.5390 . 1 1156 132 166 GLU CB C 29.5390 . 1 1157 132 166 GLU CG C 36.3250 . 1 1158 132 166 GLU N N 119.4620 . 1 1159 133 167 ILE H H 8.1540 . 1 1160 133 167 ILE HA H 2.7800 . 1 1161 133 167 ILE HB H 0.8200 . 1 1162 133 167 ILE HG12 H 0.8800 . 1 1163 133 167 ILE HG13 H 0.8800 . 1 1164 133 167 ILE HG2 H 0.0600 . 1 1165 133 167 ILE HD1 H 0.1700 . 1 1166 133 167 ILE C C 177.4210 . 1 1167 133 167 ILE CA C 66.4900 . 1 1168 133 167 ILE CB C 36.6500 . 1 1169 133 167 ILE CG1 C 27.7260 . 1 1170 133 167 ILE CG2 C 16.7400 . 1 1171 133 167 ILE CD1 C 14.1200 . 1 1172 133 167 ILE N N 123.2180 . 1 1173 134 168 ILE H H 7.3760 . 1 1174 134 168 ILE HA H 3.5400 . 1 1175 134 168 ILE HB H 1.9100 . 1 1176 134 168 ILE HG12 H 1.2500 . 1 1177 134 168 ILE HG13 H 1.3700 . 1 1178 134 168 ILE HG2 H 0.8500 . 1 1179 134 168 ILE HD1 H 0.7300 . 1 1180 134 168 ILE C C 179.3850 . 1 1181 134 168 ILE CA C 63.2800 . 1 1182 134 168 ILE CB C 36.1000 . 1 1183 134 168 ILE CG1 C 27.1800 . 1 1184 134 168 ILE CG2 C 17.3900 . 1 1185 134 168 ILE CD1 C 10.6500 . 1 1186 134 168 ILE N N 118.2440 . 1 1187 135 169 LEU H H 8.0360 . 1 1188 135 169 LEU HA H 4.1900 . 1 1189 135 169 LEU HB2 H 1.7200 . 2 1190 135 169 LEU HB3 H 1.7800 . 2 1191 135 169 LEU HD1 H 0.8900 . 2 1192 135 169 LEU HD2 H 0.9330 . 2 1193 135 169 LEU C C 179.8580 . 1 1194 135 169 LEU CA C 58.1900 . 1 1195 135 169 LEU CB C 41.8600 . 1 1196 135 169 LEU CG C 26.9500 . 1 1197 135 169 LEU CD1 C 24.5600 . 1 1198 135 169 LEU CD2 C 24.4000 . 1 1199 135 169 LEU N N 123.0610 . 1 1200 136 170 THR H H 8.5080 . 1 1201 136 170 THR HA H 3.7250 . 1 1202 136 170 THR HB H 1.9810 . 1 1203 136 170 THR HG2 H 1.2860 . 1 1204 136 170 THR C C 176.0880 . 1 1205 136 170 THR CA C 58.6010 . 1 1206 136 170 THR CB C 67.9760 . 1 1207 136 170 THR CG2 C 21.3060 . 1 1208 136 170 THR N N 119.6470 . 1 1209 137 171 LEU H H 8.5200 . 1 1210 137 171 LEU HA H 3.7400 . 1 1211 137 171 LEU HB2 H 1.3700 . 2 1212 137 171 LEU HB3 H 1.6400 . 2 1213 137 171 LEU HG H 1.5100 . 1 1214 137 171 LEU HD1 H 0.6000 . 2 1215 137 171 LEU HD2 H 0.5400 . 2 1216 137 171 LEU C C 178.3410 . 1 1217 137 171 LEU CA C 58.2600 . 1 1218 137 171 LEU CB C 41.5500 . 1 1219 137 171 LEU CG C 26.9500 . 1 1220 137 171 LEU CD1 C 24.9600 . 1 1221 137 171 LEU CD2 C 24.4800 . 1 1222 137 171 LEU N N 123.1820 . 1 1223 138 172 GLY H H 7.8580 . 1 1224 138 172 GLY HA2 H 4.0110 . 2 1225 138 172 GLY HA3 H 3.8790 . 2 1226 138 172 GLY C C 176.9730 . 1 1227 138 172 GLY CA C 47.3510 . 1 1228 138 172 GLY N N 105.2660 . 1 1229 139 173 GLN H H 8.1950 . 1 1230 139 173 GLN C C 177.8910 . 1 1231 139 173 GLN CA C 58.6010 . 1 1232 139 173 GLN CB C 28.1330 . 1 1233 139 173 GLN CG C 33.6880 . 1 1234 139 173 GLN N N 123.4850 . 1 1235 140 174 ALA H H 8.5300 . 1 1236 140 174 ALA HA H 3.7090 . 1 1237 140 174 ALA HB H 1.2700 . 1 1238 140 174 ALA C C 178.9870 . 1 1239 140 174 ALA CA C 55.7800 . 1 1240 140 174 ALA CB C 17.4100 . 1 1241 140 174 ALA N N 122.7540 . 1 1242 141 175 PHE H H 7.9200 . 1 1243 141 175 PHE HA H 4.0900 . 1 1244 141 175 PHE HB2 H 3.1800 . 2 1245 141 175 PHE HB3 H 3.3000 . 2 1246 141 175 PHE HD1 H 7.3200 . 3 1247 141 175 PHE C C 178.1290 . 1 1248 141 175 PHE CA C 61.2400 . 1 1249 141 175 PHE CB C 39.3830 . 1 1250 141 175 PHE CD1 C 131.9400 . 1 1251 141 175 PHE N N 116.2750 . 1 1252 142 176 GLU H H 7.7130 . 1 1253 142 176 GLU HA H 4.2270 . 1 1254 142 176 GLU HB2 H 2.2920 . 2 1255 142 176 GLU HB3 H 2.2360 . 2 1256 142 176 GLU HG2 H 2.4370 . 2 1257 142 176 GLU HG3 H 2.5100 . 2 1258 142 176 GLU C C 179.2500 . 1 1259 142 176 GLU CA C 59.5390 . 1 1260 142 176 GLU CB C 29.5390 . 1 1261 142 176 GLU CG C 36.4070 . 1 1262 142 176 GLU N N 119.9670 . 1 1263 143 177 VAL H H 8.6080 . 1 1264 143 177 VAL HA H 3.6830 . 1 1265 143 177 VAL HB H 2.0310 . 1 1266 143 177 VAL HG1 H 0.9800 . 2 1267 143 177 VAL HG2 H 0.8820 . 2 1268 143 177 VAL C C 178.0660 . 1 1269 143 177 VAL CA C 66.5700 . 1 1270 143 177 VAL CB C 31.8830 . 1 1271 143 177 VAL CG1 C 23.3280 . 1 1272 143 177 VAL CG2 C 21.9850 . 2 1273 143 177 VAL N N 120.1890 . 1 1274 144 178 ALA H H 8.3990 . 1 1275 144 178 ALA HA H 4.0000 . 1 1276 144 178 ALA HB H 1.6000 . 1 1277 144 178 ALA C C 180.7760 . 1 1278 144 178 ALA CA C 55.7800 . 1 1279 144 178 ALA CB C 18.7700 . 1 1280 144 178 ALA N N 121.7530 . 1 1281 145 179 TYR H H 8.1900 . 1 1282 145 179 TYR HA H 4.1900 . 1 1283 145 179 TYR HB2 H 3.0100 . 2 1284 145 179 TYR HB3 H 3.2100 . 2 1285 145 179 TYR HD1 H 7.1300 . 3 1286 145 179 TYR HE1 H 6.8300 . 3 1287 145 179 TYR C C 177.6450 . 1 1288 145 179 TYR CA C 60.8800 . 1 1289 145 179 TYR CB C 37.9800 . 1 1290 145 179 TYR CD1 C 133.4500 . 1 1291 145 179 TYR CE1 C 117.9400 . 1 1292 145 179 TYR N N 119.9620 . 1 1293 146 180 GLN H H 8.1010 . 1 1294 146 180 GLN HA H 3.9130 . 1 1295 146 180 GLN HB2 H 2.2010 . 2 1296 146 180 GLN HB3 H 2.2010 . 2 1297 146 180 GLN HG2 H 2.6040 . 2 1298 146 180 GLN HG3 H 2.6040 . 2 1299 146 180 GLN C C 179.3920 . 1 1300 146 180 GLN CA C 58.6010 . 1 1301 146 180 GLN CB C 28.1330 . 1 1302 146 180 GLN CG C 33.6800 . 1 1303 146 180 GLN N N 118.5570 . 1 1304 147 181 LEU H H 8.3750 . 1 1305 147 181 LEU HA H 4.1000 . 1 1306 147 181 LEU HB2 H 1.5400 . 2 1307 147 181 LEU HB3 H 1.8900 . 2 1308 147 181 LEU HD1 H 0.8200 . 2 1309 147 181 LEU HD2 H 0.8200 . 2 1310 147 181 LEU C C 179.6000 . 1 1311 147 181 LEU CA C 57.6600 . 1 1312 147 181 LEU CB C 42.1900 . 1 1313 147 181 LEU CG C 26.7000 . 1 1314 147 181 LEU CD1 C 22.8200 . 1 1315 147 181 LEU CD2 C 25.5800 . 1 1316 147 181 LEU N N 119.8110 . 1 1317 148 182 ALA H H 7.7300 . 1 1318 148 182 ALA HA H 4.1400 . 1 1319 148 182 ALA HB H 1.4200 . 1 1320 148 182 ALA C C 179.8730 . 1 1321 148 182 ALA CA C 54.1000 . 1 1322 148 182 ALA CB C 17.8600 . 1 1323 148 182 ALA N N 121.9190 . 1 1324 149 183 LEU H H 7.7000 . 1 1325 149 183 LEU HA H 4.0800 . 1 1326 149 183 LEU HB2 H 1.5700 . 2 1327 149 183 LEU HB3 H 1.7200 . 2 1328 149 183 LEU HD1 H 0.7700 . 2 1329 149 183 LEU HD2 H 0.7600 . 2 1330 149 183 LEU C C 179.1730 . 1 1331 149 183 LEU CA C 56.9000 . 1 1332 149 183 LEU CB C 42.0900 . 1 1333 149 183 LEU CG C 26.6300 . 1 1334 149 183 LEU CD1 C 24.8900 . 1 1335 149 183 LEU CD2 C 23.1700 . 1 1336 149 183 LEU N N 119.1420 . 1 1337 150 184 GLN H H 7.7480 . 1 1338 150 184 GLN HA H 4.1490 . 1 1339 150 184 GLN HB2 H 2.1600 . 2 1340 150 184 GLN HB3 H 2.0710 . 2 1341 150 184 GLN HG2 H 2.4280 . 2 1342 150 184 GLN HG3 H 2.5050 . 2 1343 150 184 GLN C C 176.5880 . 1 1344 150 184 GLN CA C 57.1950 . 1 1345 150 184 GLN CB C 29.0700 . 1 1346 150 184 GLN CG C 34.0170 . 1 1347 150 184 GLN N N 117.6730 . 1 1348 151 185 ALA H H 7.7200 . 1 1349 151 185 ALA HA H 4.2500 . 1 1350 151 185 ALA HB H 1.4200 . 1 1351 151 185 ALA C C 177.8550 . 1 1352 151 185 ALA CA C 52.8600 . 1 1353 151 185 ALA CB C 18.6600 . 1 1354 151 185 ALA N N 122.0820 . 1 1355 152 186 ARG H H 7.7860 . 1 1356 152 186 ARG HA H 4.2630 . 1 1357 152 186 ARG HB2 H 1.8730 . 2 1358 152 186 ARG HB3 H 1.8730 . 2 1359 152 186 ARG HG2 H 1.6900 . 2 1360 152 186 ARG HG3 H 1.6320 . 2 1361 152 186 ARG HD2 H 3.1740 . 2 1362 152 186 ARG HD3 H 3.1740 . 2 1363 152 186 ARG C C 176.1330 . 1 1364 152 186 ARG CA C 56.2580 . 1 1365 152 186 ARG CB C 30.9450 . 1 1366 152 186 ARG CG C 27.0200 . 1 1367 152 186 ARG CD C 43.5530 . 1 1368 152 186 ARG N N 118.7520 . 1 1369 153 187 LYS H H 8.0910 . 1 1370 153 187 LYS C C 176.2300 . 1 1371 153 187 LYS CA C 56.2580 . 1 1372 153 187 LYS CB C 33.2890 . 1 1373 153 187 LYS CG C 24.8370 . 1 1374 153 187 LYS CD C 29.1310 . 1 1375 153 187 LYS CE C 42.1970 . 1 1376 153 187 LYS N N 122.0470 . 1 stop_ save_