data_19054 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structures of human apoptotic protein tBid in LPPG micelle ; _BMRB_accession_number 19054 _BMRB_flat_file_name bmr19054.str _Entry_type original _Submission_date 2013-02-25 _Accession_date 2013-02-25 _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 Wang Yu . . 2 Suzuki Motoshi . . 3 Tjandra Nico . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 737 "13C chemical shifts" 564 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-07 update BMRB 'update entry citation' 2013-11-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insights of tBid, the caspase-8-activated Bid, and its BH3 domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24158446 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Yu . . 2 Tjandra Nico . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 288 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35840 _Page_last 35851 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human apoptotic protein tBid' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human apoptotic protein tBid' $tBid 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_tBid _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15243.369 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; GNRSSHSRLGRIEADSESQE DIIRNIARHLAQVGDSMDRS IPPGLVNGLALQLRNTSRSE EDRNRDLATALEQLLQAYPR DMEKEKTMLVLALLLAKKVA SHTPSLLRDVFHTTVNFINQ NLRTYVRSLARNGMD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 61 GLY 2 62 ASN 3 63 ARG 4 64 SER 5 65 SER 6 66 HIS 7 67 SER 8 68 ARG 9 69 LEU 10 70 GLY 11 71 ARG 12 72 ILE 13 73 GLU 14 74 ALA 15 75 ASP 16 76 SER 17 77 GLU 18 78 SER 19 79 GLN 20 80 GLU 21 81 ASP 22 82 ILE 23 83 ILE 24 84 ARG 25 85 ASN 26 86 ILE 27 87 ALA 28 88 ARG 29 89 HIS 30 90 LEU 31 91 ALA 32 92 GLN 33 93 VAL 34 94 GLY 35 95 ASP 36 96 SER 37 97 MET 38 98 ASP 39 99 ARG 40 100 SER 41 101 ILE 42 102 PRO 43 103 PRO 44 104 GLY 45 105 LEU 46 106 VAL 47 107 ASN 48 108 GLY 49 109 LEU 50 110 ALA 51 111 LEU 52 112 GLN 53 113 LEU 54 114 ARG 55 115 ASN 56 116 THR 57 117 SER 58 118 ARG 59 119 SER 60 120 GLU 61 121 GLU 62 122 ASP 63 123 ARG 64 124 ASN 65 125 ARG 66 126 ASP 67 127 LEU 68 128 ALA 69 129 THR 70 130 ALA 71 131 LEU 72 132 GLU 73 133 GLN 74 134 LEU 75 135 LEU 76 136 GLN 77 137 ALA 78 138 TYR 79 139 PRO 80 140 ARG 81 141 ASP 82 142 MET 83 143 GLU 84 144 LYS 85 145 GLU 86 146 LYS 87 147 THR 88 148 MET 89 149 LEU 90 150 VAL 91 151 LEU 92 152 ALA 93 153 LEU 94 154 LEU 95 155 LEU 96 156 ALA 97 157 LYS 98 158 LYS 99 159 VAL 100 160 ALA 101 161 SER 102 162 HIS 103 163 THR 104 164 PRO 105 165 SER 106 166 LEU 107 167 LEU 108 168 ARG 109 169 ASP 110 170 VAL 111 171 PHE 112 172 HIS 113 173 THR 114 174 THR 115 175 VAL 116 176 ASN 117 177 PHE 118 178 ILE 119 179 ASN 120 180 GLN 121 181 ASN 122 182 LEU 123 183 ARG 124 184 THR 125 185 TYR 126 186 VAL 127 187 ARG 128 188 SER 129 189 LEU 130 190 ALA 131 191 ARG 132 192 ASN 133 193 GLY 134 194 MET 135 195 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 2BID "Human Pro-Apoptotic Protein Bid" 100.00 197 100.00 100.00 2.95e-90 PDB 2M5I "Nmr Structures Of Human Apoptotic Protein Tbid In Lppg Micelle" 100.00 135 100.00 100.00 3.13e-91 DBJ BAF79673 "desmocollin type 4 [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 DBJ BAG10922 "BH3-interacting domain death agonist [synthetic construct]" 100.00 241 100.00 100.00 6.39e-90 DBJ BAG36471 "unnamed protein product [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 DBJ BAG52933 "unnamed protein product [Homo sapiens]" 100.00 241 100.00 100.00 4.71e-90 EMBL CAG28531 "BID [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 EMBL CAG30275 "BID [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 EMBL CAH92211 "hypothetical protein [Pongo abelii]" 73.33 99 97.98 98.99 3.38e-62 EMBL CAK54378 "BID [synthetic construct]" 100.00 195 100.00 100.00 3.22e-90 EMBL CAK54677 "BID [synthetic construct]" 100.00 195 100.00 100.00 3.22e-90 GB AAC34365 "BH3 interacting domain death agonist [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 GB AAH09197 "BID protein [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 GB AAH22072 "BID protein, partial [Homo sapiens]" 100.00 252 100.00 100.00 1.47e-89 GB AAH33634 "BH3 interacting domain death agonist [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 GB AAH36364 "BH3 interacting domain death agonist [Homo sapiens]" 100.00 241 99.26 99.26 6.86e-89 REF NP_001126293 "BH3-interacting domain death agonist [Pongo abelii]" 73.33 99 97.98 98.99 3.38e-62 REF NP_001187 "BH3-interacting domain death agonist isoform 2 [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 REF NP_001231496 "BH3-interacting domain death agonist isoform 2 [Homo sapiens]" 100.00 195 100.00 100.00 3.22e-90 REF NP_001231498 "BH3-interacting domain death agonist isoform 3 [Homo sapiens]" 73.33 99 100.00 100.00 1.17e-63 REF NP_001231499 "BH3-interacting domain death agonist isoform 3 [Homo sapiens]" 73.33 99 100.00 100.00 1.17e-63 SP P55957 "RecName: Full=BH3-interacting domain death agonist; AltName: Full=p22 BID; Short=BID; Contains: RecName: Full=BH3-interacting d" 100.00 195 100.00 100.00 3.22e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tBid 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 $tBid 'recombinant technology' . Escherichia coli . 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 $tBid 0.5 mM [U-15N] $tBid 0.8 mM '[U-13C; U-15N]' $tBid 0.8 mM '[U-100% 15N; U-80% 2H]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'Potassium Phosphate' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $tBid 1.0 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' 'Potassium Phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_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 stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_4D_HCHC-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCHC-NOESY' _Sample_label $sample_2 save_ save_T1_9 _Saveframe_category NMR_applied_experiment _Experiment_name T1 _Sample_label $sample_1 save_ save_T2_10 _Saveframe_category NMR_applied_experiment _Experiment_name T2 _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' 0.1 0.02 M pH 6.6 0.1 pH pressure 1 1 atm temperature 318 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.3 na indirect . 'insert at center of a separate sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.02 internal direct . 'insert at center of a separate sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.2 na indirect . 'insert at center of a separate sample tube' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '4D HCHC-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human apoptotic protein tBid' _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 66 6 HIS HA H 4.6993 . . 2 66 6 HIS HB2 H 3.2437 . . 3 66 6 HIS HB3 H 3.1440 . . 4 66 6 HIS HD2 H 7.1570 . . 5 66 6 HIS C C 174.8790 . . 6 66 6 HIS CA C 56.0795 . . 7 66 6 HIS CB C 30.0227 . . 8 66 6 HIS CD2 C 119.9196 . . 9 67 7 SER H H 8.14400 . . 10 67 7 SER HA H 4.4450 . . 11 67 7 SER HB2 H 3.8750 . . 12 67 7 SER HB3 H 3.8750 . . 13 67 7 SER C C 174.8670 . . 14 67 7 SER CA C 58.6606 . . 15 67 7 SER CB C 63.8500 . . 16 67 7 SER N N 116.0540 . . 17 68 8 ARG H H 8.5050 . . 18 68 8 ARG HA H 4.3445 . . 19 68 8 ARG HB2 H 1.8595 . . 20 68 8 ARG HB3 H 1.8595 . . 21 68 8 ARG HG2 H 1.6830 . . 22 68 8 ARG HG3 H 1.6830 . . 23 68 8 ARG HD2 H 3.2195 . . 24 68 8 ARG HD3 H 3.2195 . . 25 68 8 ARG C C 176.3100 . . 26 68 8 ARG CA C 56.7298 . . 27 68 8 ARG CB C 30.7677 . . 28 68 8 ARG CG C 27.3592 . . 29 68 8 ARG CD C 43.3657 . . 30 68 8 ARG N N 122.6270 . . 31 69 9 LEU H H 8.1320 . . 32 69 9 LEU HA H 4.3059 . . 33 69 9 LEU HB2 H 1.7690 . . 34 69 9 LEU HB3 H 1.6320 . . 35 69 9 LEU HG H 1.6705 . . 36 69 9 LEU HD1 H 0.8988 . . 37 69 9 LEU HD2 H 0.9262 . . 38 69 9 LEU C C 177.1230 . . 39 69 9 LEU CA C 55.4037 . . 40 69 9 LEU CB C 42.2500 . . 41 69 9 LEU CG C 27.3137 . . 42 69 9 LEU CD1 C 24.2254 . . 43 69 9 LEU CD2 C 25.2163 . . 44 69 9 LEU N N 120.2930 . . 45 70 10 GLY H H 8.0430 . . 46 70 10 GLY HA2 H 3.9393 . . 47 70 10 GLY HA3 H 3.9393 . . 48 70 10 GLY C C 173.8670 . . 49 70 10 GLY CA C 45.5568 . . 50 70 10 GLY N N 107.5760 . . 51 71 11 ARG H H 7.9420 . . 52 71 11 ARG HA H 4.3595 . . 53 71 11 ARG HB2 H 1.8870 . . 54 71 11 ARG HB3 H 1.8870 . . 55 71 11 ARG HG2 H 1.6720 . . 56 71 11 ARG HG3 H 1.6720 . . 57 71 11 ARG HD2 H 3.2200 . . 58 71 11 ARG HD3 H 3.2200 . . 59 71 11 ARG C C 176.2040 . . 60 71 11 ARG CA C 56.1451 . . 61 71 11 ARG CB C 30.818 . . 62 71 11 ARG CG C 27.0043 . . 63 71 11 ARG CD C 43.3727 . . 64 71 11 ARG N N 119.8030 . . 65 72 12 ILE H H 7.9420 . . 66 72 12 ILE HA H 4.1444 . . 67 72 12 ILE HB H 1.9198 . . 68 72 12 ILE HG12 H 1.4932 . . 69 72 12 ILE HG13 H 1.1960 . . 70 72 12 ILE HG2 H 0.9170 . . 71 72 12 ILE HD1 H 0.8740 . . 72 72 12 ILE C C 175.7690 . . 73 72 12 ILE CA C 61.2780 . . 74 72 12 ILE CB C 38.5670 . . 75 72 12 ILE CG1 C 27.5997 . . 76 72 12 ILE CG2 C 17.7227 . . 77 72 12 ILE CD1 C 13.2000 . . 78 72 12 ILE N N 120.7500 . . 79 73 13 GLU H H 8.2460 . . 80 73 13 GLU HA H 4.3333 . . 81 73 13 GLU HB2 H 2.0587 . . 82 73 13 GLU HB3 H 1.9420 . . 83 73 13 GLU HG2 H 2.2777 . . 84 73 13 GLU HG3 H 2.2440 . . 85 73 13 GLU C C 175.8380 . . 86 73 13 GLU CA C 56.2941 . . 87 73 13 GLU CB C 30.3106 . . 88 73 13 GLU CG C 35.9843 . . 89 73 13 GLU N N 123.9000 . . 90 74 14 ALA H H 8.1320 . . 91 74 14 ALA HA H 4.3493 . . 92 74 14 ALA HB H 1.3969 . . 93 74 14 ALA C C 177.1390 . . 94 74 14 ALA CA C 52.4388 . . 95 74 14 ALA CB C 19.5449 . . 96 74 14 ALA N N 124.4530 . . 97 75 15 ASP H H 8.2270 . . 98 75 15 ASP HA H 4.6595 . . 99 75 15 ASP HB2 H 2.7464 . . 100 75 15 ASP HB3 H 2.7110 . . 101 75 15 ASP C C 176.3630 . . 102 75 15 ASP CA C 54.1566 . . 103 75 15 ASP CB C 41.2621 . . 104 75 15 ASP N N 119.0830 . . 105 76 16 SER H H 8.1010 . . 106 76 16 SER HA H 4.4160 . . 107 76 16 SER HB2 H 3.8900 . . 108 76 16 SER HB3 H 3.8900 . . 109 76 16 SER C C 175.0440 . . 110 76 16 SER CA C 59.1351 . . 111 76 16 SER CB C 63.7407 . . 112 76 16 SER N N 115.7720 . . 113 77 17 GLU H H 8.4170 . . 114 77 17 GLU HA H 4.2120 . . 115 77 17 GLU HB2 H 2.0503 . . 116 77 17 GLU HB3 H 2.0503 . . 117 77 17 GLU HG2 H 2.2600 . . 118 77 17 GLU HG3 H 2.2600 . . 119 77 17 GLU C C 177.0590 . . 120 77 17 GLU CA C 57.6021 . . 121 77 17 GLU CB C 30.1658 . . 122 77 17 GLU CG C 36.3222 . . 123 77 17 GLU N N 122.1990 . . 124 78 18 SER H H 8.1640 . . 125 78 18 SER HA H 4.4500 . . 126 78 18 SER HB2 H 3.9000 . . 127 78 18 SER HB3 H 3.9000 . . 128 78 18 SER C C 175.2280 . . 129 78 18 SER CA C 58.7091 . . 130 78 18 SER CB C 63.7987 . . 131 78 18 SER N N 115.4470 . . 132 79 19 GLN H H 8.2900 . . 133 79 19 GLN HA H 4.2160 . . 134 79 19 GLN HB2 H 2.1179 . . 135 79 19 GLN HB3 H 2.1179 . . 136 79 19 GLN HG2 H 2.4200 . . 137 79 19 GLN HG3 H 2.4200 . . 138 79 19 GLN CA C 57.6174 . . 139 79 19 GLN CB C 28.9352 . . 140 79 19 GLN CG C 34.0807 . . 141 79 19 GLN N N 121.5060 . . 142 80 20 GLU H H 8.2900 . . 143 80 20 GLU HA H 4.1270 . . 144 80 20 GLU HB2 H 2.0126 . . 145 80 20 GLU HB3 H 2.0126 . . 146 80 20 GLU HG2 H 2.3015 . . 147 80 20 GLU HG3 H 2.3015 . . 148 80 20 GLU C C 176.9540 . . 149 80 20 GLU CA C 58.2045 . . 150 80 20 GLU CB C 29.9142 . . 151 80 20 GLU CG C 36.3222 . . 152 80 20 GLU N N 119.9910 . . 153 81 21 ASP H H 8.0050 . . 154 81 21 ASP HA H 4.5805 . . 155 81 21 ASP HB2 H 2.7788 . . 156 81 21 ASP HB3 H 2.7788 . . 157 81 21 ASP C C 177.6510 . . 158 81 21 ASP CA C 55.6768 . . 159 81 21 ASP CB C 41.4812 . . 160 81 21 ASP N N 120.5960 . . 161 82 22 ILE H H 8.1280 . . 162 82 22 ILE HA H 3.9424 . . 163 82 22 ILE HB H 2.0203 . . 164 82 22 ILE HG12 H 1.7456 . . 165 82 22 ILE HG13 H 1.2363 . . 166 82 22 ILE HG2 H 0.9658 . . 167 82 22 ILE HD1 H 0.9292 . . 168 82 22 ILE C C 177.4380 . . 169 82 22 ILE CA C 64.6668 . . 170 82 22 ILE CB C 38.1607 . . 171 82 22 ILE CG1 C 29.1511 . . 172 82 22 ILE CG2 C 17.6565 . . 173 82 22 ILE CD1 C 13.6650 . . 174 82 22 ILE N N 121.2020 . . 175 83 23 ILE H H 7.9110 . . 176 83 23 ILE HA H 3.6880 . . 177 83 23 ILE HB H 2.0968 . . 178 83 23 ILE HG12 H 1.7381 . . 179 83 23 ILE HG13 H 1.2525 . . 180 83 23 ILE HG2 H 0.9493 . . 181 83 23 ILE HD1 H 0.8950 . . 182 83 23 ILE C C 177.6730 . . 183 83 23 ILE CA C 64.9447 . . 184 83 23 ILE CB C 36.8474 . . 185 83 23 ILE CG1 C 29.2379 . . 186 83 23 ILE CG2 C 17.6943 . . 187 83 23 ILE CD1 C 12.5248 . . 188 83 23 ILE N N 119.9910 . . 189 84 24 ARG H H 8.1350 . . 190 84 24 ARG HA H 3.9912 . . 191 84 24 ARG HB2 H 1.9470 . . 192 84 24 ARG HB3 H 1.9470 . . 193 84 24 ARG HG2 H 1.8768 . . 194 84 24 ARG HG3 H 1.8768 . . 195 84 24 ARG HD2 H 3.2405 . . 196 84 24 ARG HD3 H 3.2405 . . 197 84 24 ARG C C 178.7120 . . 198 84 24 ARG CA C 59.7375 . . 199 84 24 ARG CB C 30.0223 . . 200 84 24 ARG CG C 28.6098 . . 201 84 24 ARG CD C 43.3547 . . 202 84 24 ARG N N 119.0830 . . 203 85 25 ASN H H 8.1530 . . 204 85 25 ASN HA H 4.5307 . . 205 85 25 ASN HB2 H 2.9216 . . 206 85 25 ASN HB3 H 2.9216 . . 207 85 25 ASN C C 178.6450 . . 208 85 25 ASN CA C 56.1727 . . 209 85 25 ASN CB C 38.6386 . . 210 85 25 ASN N N 117.8710 . . 211 86 26 ILE H H 8.4310 . . 212 86 26 ILE HA H 3.7635 . . 213 86 26 ILE HB H 2.0945 . . 214 86 26 ILE HG12 H 2.0192 . . 215 86 26 ILE HG13 H 1.1226 . . 216 86 26 ILE HG2 H 0.9617 . . 217 86 26 ILE HD1 H 0.8923 . . 218 86 26 ILE C C 177.6670 . . 219 86 26 ILE CA C 66.0253 . . 220 86 26 ILE CB C 37.8309 . . 221 86 26 ILE CG1 C 29.3788 . . 222 86 26 ILE CG2 C 17.6656 . . 223 86 26 ILE CD1 C 14.0519 . . 224 86 26 ILE N N 121.5070 . . 225 87 27 ALA H H 8.5610 . . 226 87 27 ALA HA H 3.9800 . . 227 87 27 ALA HB H 1.5916 . . 228 87 27 ALA C C 179.1550 . . 229 87 27 ALA CA C 55.8597 . . 230 87 27 ALA CB C 18.3104 . . 231 87 27 ALA N N 121.8070 . . 232 88 28 ARG H H 8.1800 . . 233 88 28 ARG HA H 4.0850 . . 234 88 28 ARG HB2 H 1.9645 . . 235 88 28 ARG HB3 H 1.9645 . . 236 88 28 ARG HG2 H 1.6927 . . 237 88 28 ARG HG3 H 1.6927 . . 238 88 28 ARG HD2 H 3.2305 . . 239 88 28 ARG HD3 H 3.2305 . . 240 88 28 ARG C C 179.0380 . . 241 88 28 ARG CA C 59.2912 . . 242 88 28 ARG CB C 29.9819 . . 243 88 28 ARG CG C 27.6048 . . 244 88 28 ARG CD C 43.3865 . . 245 88 28 ARG N N 116.3570 . . 246 89 29 HIS H H 7.8790 . . 247 89 29 HIS HA H 4.4536 . . 248 89 29 HIS HB2 H 3.2766 . . 249 89 29 HIS HB3 H 3.2766 . . 250 89 29 HIS HD2 H 7.1577 . . 251 89 29 HIS C C 177.5200 . . 252 89 29 HIS CA C 59.7244 . . 253 89 29 HIS CB C 29.4173 . . 254 89 29 HIS CD2 C 120.6780 . . 255 89 29 HIS N N 117.2650 . . 256 90 30 LEU H H 8.4560 . . 257 90 30 LEU HA H 4.1044 . . 258 90 30 LEU HB2 H 1.5738 . . 259 90 30 LEU HB3 H 1.9540 . . 260 90 30 LEU HG H 1.8917 . . 261 90 30 LEU HD1 H 0.9680 . . 262 90 30 LEU HD2 H 0.9263 . . 263 90 30 LEU C C 178.2130 . . 264 90 30 LEU CA C 57.7677 . . 265 90 30 LEU CB C 41.6018 . . 266 90 30 LEU CG C 26.9769 . . 267 90 30 LEU CD1 C 25.1219 . . 268 90 30 LEU CD2 C 23.5331 . . 269 90 30 LEU N N 119.3850 . . 270 91 31 ALA H H 8.1490 . . 271 91 31 ALA HA H 4.0868 . . 272 91 31 ALA HB H 1.5530 . . 273 91 31 ALA C C 178.8350 . . 274 91 31 ALA CA C 54.8823 . . 275 91 31 ALA CB C 18.1745 . . 276 91 31 ALA N N 120.2930 . . 277 92 32 GLN H H 7.6440 . . 278 92 32 GLN HA H 4.2320 . . 279 92 32 GLN HB2 H 2.2661 . . 280 92 32 GLN HB3 H 2.2661 . . 281 92 32 GLN HG2 H 2.5212 . . 282 92 32 GLN HG3 H 2.5212 . . 283 92 32 GLN C C 178.6540 . . 284 92 32 GLN CA C 58.1019 . . 285 92 32 GLN CB C 28.6390 . . 286 92 32 GLN CG C 34.2003 . . 287 92 32 GLN N N 116.3420 . . 288 93 33 VAL H H 7.8470 . . 289 93 33 VAL HA H 3.8365 . . 290 93 33 VAL HB H 2.2930 . . 291 93 33 VAL HG1 H 1.0180 . . 292 93 33 VAL HG2 H 1.0991 . . 293 93 33 VAL C C 178.1780 . . 294 93 33 VAL CA C 65.6905 . . 295 93 33 VAL CB C 31.6145 . . 296 93 33 VAL CG1 C 21.7645 . . 297 93 33 VAL CG2 C 22.4879 . . 298 93 33 VAL N N 119.4430 . . 299 94 34 GLY H H 8.3670 . . 300 94 34 GLY HA2 H 3.8473 . . 301 94 34 GLY HA3 H 3.8473 . . 302 94 34 GLY C C 175.0650 . . 303 94 34 GLY CA C 47.1519 . . 304 94 34 GLY N N 107.4370 . . 305 95 35 ASP H H 8.0050 . . 306 95 35 ASP HA H 4.5820 . . 307 95 35 ASP HB2 H 2.7712 . . 308 95 35 ASP HB3 H 2.7712 . . 309 95 35 ASP C C 177.6590 . . 310 95 35 ASP CA C 56.3144 . . 311 95 35 ASP CB C 41.3838 . . 312 95 35 ASP N N 120.1620 . . 313 96 36 SER H H 7.8620 . . 314 96 36 SER HA H 4.4118 . . 315 96 36 SER HB2 H 3.9520 . . 316 96 36 SER HB3 H 3.9520 . . 317 96 36 SER C C 175.2260 . . 318 96 36 SER CA C 60.1976 . . 319 96 36 SER CB C 63.7589 . . 320 96 36 SER N N 113.7740 . . 321 97 37 MET H H 7.8470 . . 322 97 37 MET HA H 4.3922 . . 323 97 37 MET HB2 H 2.1647 . . 324 97 37 MET HB3 H 2.1647 . . 325 97 37 MET HG2 H 2.6107 . . 326 97 37 MET HG3 H 2.6107 . . 327 97 37 MET HE H 2.0500 . . 328 97 37 MET C C 175.9980 . . 329 97 37 MET CA C 56.5614 . . 330 97 37 MET CB C 33.2957 . . 331 97 37 MET CG C 32.4506 . . 332 97 37 MET CE C 17.3798 . . 333 97 37 MET N N 120.1620 . . 334 98 38 ASP H H 8.2270 . . 335 98 38 ASP HA H 4.5348 . . 336 98 38 ASP HB2 H 2.7567 . . 337 98 38 ASP HB3 H 2.7567 . . 338 98 38 ASP C C 176.4180 . . 339 98 38 ASP CA C 55.2336 . . 340 98 38 ASP CB C 40.9079 . . 341 98 38 ASP N N 119.8030 . . 342 99 39 ARG H H 7.9250 . . 343 99 39 ARG HA H 4.5105 . . 344 99 39 ARG HB2 H 1.9600 . . 345 99 39 ARG HB3 H 1.9600 . . 346 99 39 ARG HG2 H 1.6887 . . 347 99 39 ARG HG3 H 1.6887 . . 348 99 39 ARG HD2 H 3.2170 . . 349 99 39 ARG HD3 H 3.2170 . . 350 99 39 ARG C C 175.7620 . . 351 99 39 ARG CA C 56.2696 . . 352 99 39 ARG CB C 30.0000 . . 353 99 39 ARG CG C 27.3129 . . 354 99 39 ARG CD C 43.3532 . . 355 99 39 ARG N N 118.2710 . . 356 100 40 SER H H 7.9400 . . 357 100 40 SER HA H 4.4950 . . 358 100 40 SER HB2 H 3.8370 . . 359 100 40 SER HB3 H 3.8370 . . 360 100 40 SER C C 173.6520 . . 361 100 40 SER CA C 58.7428 . . 362 100 40 SER CB C 64.3820 . . 363 100 40 SER N N 114.3520 . . 364 101 41 ILE H H 7.9280 . . 365 101 41 ILE HA H 4.3501 . . 366 101 41 ILE HB H 1.9495 . . 367 101 41 ILE HG12 H 1.1900 . . 368 101 41 ILE HG13 H 1.6759 . . 369 101 41 ILE HG2 H 0.9633 . . 370 101 41 ILE HD1 H 0.8919 . . 371 101 41 ILE CA C 58.9086 . . 372 101 41 ILE CB C 38.3799 . . 373 101 41 ILE CG1 C 27.8825 . . 374 101 41 ILE CG2 C 17.6567 . . 375 101 41 ILE CD1 C 13.0458 . . 376 101 41 ILE N N 121.6850 . . 377 102 42 PRO HA H 4.7164 . . 378 102 42 PRO HB2 H 2.4056 . . 379 102 42 PRO HB3 H 1.9690 . . 380 102 42 PRO HG2 H 2.1172 . . 381 102 42 PRO HG3 H 2.1172 . . 382 102 42 PRO HD2 H 4.0989 . . 383 102 42 PRO HD3 H 3.5749 . . 384 102 42 PRO CA C 61.8178 . . 385 102 42 PRO CB C 31.1717 . . 386 102 42 PRO CG C 27.8738 . . 387 102 42 PRO CD C 50.8263 . . 388 103 43 PRO HA H 4.3998 . . 389 103 43 PRO HB2 H 2.3527 . . 390 103 43 PRO HB3 H 1.9881 . . 391 103 43 PRO HG2 H 2.1233 . . 392 103 43 PRO HG3 H 2.1233 . . 393 103 43 PRO HD2 H 3.8121 . . 394 103 43 PRO HD3 H 3.8121 . . 395 103 43 PRO CA C 64.2571 . . 396 103 43 PRO CB C 31.8295 . . 397 103 43 PRO CG C 27.6633 . . 398 103 43 PRO CD C 50.8935 . . 399 104 44 GLY H H 8.6680 . . 400 104 44 GLY HA2 H 3.9863 . . 401 104 44 GLY HA3 H 3.9863 . . 402 104 44 GLY C C 176.2430 . . 403 104 44 GLY CA C 46.2796 . . 404 104 44 GLY N N 107.6630 . . 405 105 45 LEU H H 7.6260 . . 406 105 45 LEU HA H 4.1500 . . 407 105 45 LEU HB2 H 1.7868 . . 408 105 45 LEU HB3 H 1.7868 . . 409 105 45 LEU HG H 1.8370 . . 410 105 45 LEU HD1 H 0.9650 . . 411 105 45 LEU HD2 H 0.9524 . . 412 105 45 LEU C C 177.8990 . . 413 105 45 LEU CA C 57.9700 . . 414 105 45 LEU CB C 42.3493 . . 415 105 45 LEU CG C 27.0023 . . 416 105 45 LEU CD1 C 25.0423 . . 417 105 45 LEU CD2 C 24.1833 . . 418 105 45 LEU N N 121.6620 . . 419 106 46 VAL H H 7.8610 . . 420 106 46 VAL HA H 3.6344 . . 421 106 46 VAL HB H 2.1934 . . 422 106 46 VAL HG1 H 1.0536 . . 423 106 46 VAL HG2 H 0.9267 . . 424 106 46 VAL C C 177.1700 . . 425 106 46 VAL CA C 66.3967 . . 426 106 46 VAL CB C 31.4369 . . 427 106 46 VAL CG1 C 22.7528 . . 428 106 46 VAL CG2 C 21.7448 . . 429 106 46 VAL N N 116.6600 . . 430 107 47 ASN H H 8.3220 . . 431 107 47 ASN HA H 4.4310 . . 432 107 47 ASN HB2 H 2.7930 . . 433 107 47 ASN HB3 H 2.7930 . . 434 107 47 ASN C C 177.5390 . . 435 107 47 ASN CA C 56.0421 . . 436 107 47 ASN CB C 38.5468 . . 437 107 47 ASN N N 117.3450 . . 438 108 48 GLY H H 8.0690 . . 439 108 48 GLY HA2 H 3.9154 . . 440 108 48 GLY HA3 H 3.9154 . . 441 108 48 GLY C C 175.9900 . . 442 108 48 GLY CA C 46.7719 . . 443 108 48 GLY N N 106.8580 . . 444 109 49 LEU H H 8.0050 . . 445 109 49 LEU HA H 4.1700 . . 446 109 49 LEU HB2 H 1.8388 . . 447 109 49 LEU HB3 H 1.6573 . . 448 109 49 LEU HG H 1.7670 . . 449 109 49 LEU HD1 H 0.8710 . . 450 109 49 LEU HD2 H 0.9343 . . 451 109 49 LEU C C 178.0570 . . 452 109 49 LEU CA C 57.9001 . . 453 109 49 LEU CB C 42.1023 . . 454 109 49 LEU CG C 27.2262 . . 455 109 49 LEU CD1 C 24.9930 . . 456 109 49 LEU CD2 C 24.3543 . . 457 109 49 LEU N N 122.1100 . . 458 110 50 ALA H H 8.2400 . . 459 110 50 ALA HA H 4.0250 . . 460 110 50 ALA HB H 1.5252 . . 461 110 50 ALA C C 179.4760 . . 462 110 50 ALA CA C 55.3871 . . 463 110 50 ALA CB C 18.2393 . . 464 110 50 ALA N N 120.5960 . . 465 111 51 LEU H H 7.8470 . . 466 111 51 LEU HA H 4.0890 . . 467 111 51 LEU HB2 H 1.6375 . . 468 111 51 LEU HB3 H 1.6375 . . 469 111 51 LEU HG H 1.8100 . . 470 111 51 LEU HD1 H 0.9627 . . 471 111 51 LEU HD2 H 0.9230 . . 472 111 51 LEU C C 179.0320 . . 473 111 51 LEU CA C 57.4576 . . 474 111 51 LEU CB C 41.8017 . . 475 111 51 LEU CG C 27.1780 . . 476 111 51 LEU CD1 C 24.8997 . . 477 111 51 LEU CD2 C 24.0919 . . 478 111 51 LEU N N 117.2000 . . 479 112 52 GLN H H 7.7670 . . 480 112 52 GLN HA H 4.1989 . . 481 112 52 GLN HB2 H 2.1901 . . 482 112 52 GLN HB3 H 2.1901 . . 483 112 52 GLN HG2 H 2.5354 . . 484 112 52 GLN HG3 H 2.4030 . . 485 112 52 GLN C C 178.2990 . . 486 112 52 GLN CA C 57.5735 . . 487 112 52 GLN CB C 28.2336 . . 488 112 52 GLN CG C 33.5178 . . 489 112 52 GLN N N 117.2650 . . 490 113 53 LEU H H 8.0110 . . 491 113 53 LEU HA H 4.1909 . . 492 113 53 LEU HB2 H 1.8530 . . 493 113 53 LEU HB3 H 1.6570 . . 494 113 53 LEU HG H 1.8305 . . 495 113 53 LEU HD1 H 0.9230 . . 496 113 53 LEU HD2 H 0.8950 . . 497 113 53 LEU C C 177.9870 . . 498 113 53 LEU CA C 56.8907 . . 499 113 53 LEU CB C 41.9280 . . 500 113 53 LEU CG C 27.1017 . . 501 113 53 LEU CD1 C 25.3833 . . 502 113 53 LEU CD2 C 23.7549 . . 503 113 53 LEU N N 118.7830 . . 504 114 54 ARG H H 7.8680 . . 505 114 54 ARG HA H 4.2298 . . 506 114 54 ARG HB2 H 1.9081 . . 507 114 54 ARG HB3 H 1.9081 . . 508 114 54 ARG HG2 H 1.7065 . . 509 114 54 ARG HG3 H 1.7065 . . 510 114 54 ARG HD2 H 3.2154 . . 511 114 54 ARG HD3 H 3.2154 . . 512 114 54 ARG C C 176.9400 . . 513 114 54 ARG CA C 57.5855 . . 514 114 54 ARG CB C 30.5903 . . 515 114 54 ARG CG C 27.3402 . . 516 114 54 ARG CD C 43.4726 . . 517 114 54 ARG N N 118.0730 . . 518 115 55 ASN H H 8.1129 . . 519 115 55 ASN HA H 4.7253 . . 520 115 55 ASN HB2 H 2.9417 . . 521 115 55 ASN HB3 H 2.9417 . . 522 115 55 ASN C C 176.1930 . . 523 115 55 ASN CA C 53.9183 . . 524 115 55 ASN CB C 38.5139 . . 525 115 55 ASN N N 118.1430 . . 526 116 56 THR H H 7.9500 . . 527 116 56 THR HA H 4.3106 . . 528 116 56 THR HB H 4.3031 . . 529 116 56 THR HG2 H 1.2900 . . 530 116 56 THR C C 174.8760 . . 531 116 56 THR CA C 63.2637 . . 532 116 56 THR CB C 69.4200 . . 533 116 56 THR CG2 C 21.7600 . . 534 116 56 THR N N 114.2370 . . 535 117 57 SER H H 8.0790 . . 536 117 57 SER HA H 4.4606 . . 537 117 57 SER HB2 H 3.9289 . . 538 117 57 SER HB3 H 3.9289 . . 539 117 57 SER C C 174.5110 . . 540 117 57 SER CA C 58.8789 . . 541 117 57 SER CB C 63.8018 . . 542 117 57 SER N N 116.9270 . . 543 118 58 ARG H H 8.0370 . . 544 118 58 ARG HA H 4.4495 . . 545 118 58 ARG HB2 H 1.8848 . . 546 118 58 ARG HB3 H 1.8848 . . 547 118 58 ARG HG2 H 1.7100 . . 548 118 58 ARG HG3 H 1.7100 . . 549 118 58 ARG HD2 H 3.2228 . . 550 118 58 ARG HD3 H 3.2228 . . 551 118 58 ARG C C 176.2810 . . 552 118 58 ARG CA C 56.0716 . . 553 118 58 ARG CB C 30.9380 . . 554 118 58 ARG CG C 27.3742 . . 555 118 58 ARG CD C 43.4032 . . 556 118 58 ARG N N 122.0760 . . 557 119 59 SER H H 8.3220 . . 558 119 59 SER HA H 4.5010 . . 559 119 59 SER HB2 H 3.9310 . . 560 119 59 SER HB3 H 3.9310 . . 561 119 59 SER C C 174.9480 . . 562 119 59 SER CA C 58.3411 . . 563 119 59 SER CB C 63.8412 . . 564 119 59 SER N N 116.6630 . . 565 120 60 GLU H H 8.5560 . . 566 120 60 GLU HA H 4.3133 . . 567 120 60 GLU HB2 H 2.0565 . . 568 120 60 GLU HB3 H 2.0565 . . 569 120 60 GLU HG2 H 2.2936 . . 570 120 60 GLU HG3 H 2.2936 . . 571 120 60 GLU C C 176.9820 . . 572 120 60 GLU CA C 57.5423 . . 573 120 60 GLU CB C 30.0009 . . 574 120 60 GLU CG C 36.3423 . . 575 120 60 GLU N N 122.7060 . . 576 121 61 GLU H H 8.2690 . . 577 121 61 GLU HA H 4.1910 . . 578 121 61 GLU HB2 H 2.0500 . . 579 121 61 GLU HB3 H 2.0500 . . 580 121 61 GLU HG2 H 2.2725 . . 581 121 61 GLU HG3 H 2.2725 . . 582 121 61 GLU C C 176.7510 . . 583 121 61 GLU CA C 57.5581 . . 584 121 61 GLU CB C 30.1280 . . 585 121 61 GLU CG C 36.3277 . . 586 121 61 GLU N N 119.1980 . . 587 122 62 ASP H H 8.0370 . . 588 122 62 ASP HA H 4.5846 . . 589 122 62 ASP HB2 H 2.7460 . . 590 122 62 ASP HB3 H 2.7460 . . 591 122 62 ASP C C 176.3270 . . 592 122 62 ASP CA C 54.9757 . . 593 122 62 ASP CB C 40.9492 . . 594 122 62 ASP N N 119.9020 . . 595 123 63 ARG H H 8.0090 . . 596 123 63 ARG HA H 4.3027 . . 597 123 63 ARG HB2 H 1.9062 . . 598 123 63 ARG HB3 H 1.9062 . . 599 123 63 ARG HG2 H 1.7140 . . 600 123 63 ARG HG3 H 1.7140 . . 601 123 63 ARG HD2 H 3.2344 . . 602 123 63 ARG HD3 H 3.2344 . . 603 123 63 ARG C C 176.5040 . . 604 123 63 ARG CA C 56.8653 . . 605 123 63 ARG CB C 30.6554 . . 606 123 63 ARG CG C 27.3037 . . 607 123 63 ARG CD C 43.3582 . . 608 123 63 ARG N N 120.4550 . . 609 124 64 ASN H H 8.3850 . . 610 124 64 ASN HA H 4.6352 . . 611 124 64 ASN HB2 H 2.8360 . . 612 124 64 ASN HB3 H 2.8360 . . 613 124 64 ASN C C 175.7530 . . 614 124 64 ASN CA C 54.2985 . . 615 124 64 ASN CB C 38.4071 . . 616 124 64 ASN N N 119.0180 . . 617 125 65 ARG H H 8.1140 . . 618 125 65 ARG HA H 4.3224 . . 619 125 65 ARG HB2 H 1.9120 . . 620 125 65 ARG HB3 H 1.9120 . . 621 125 65 ARG HG2 H 1.6938 . . 622 125 65 ARG HG3 H 1.6938 . . 623 125 65 ARG HD2 H 3.2202 . . 624 125 65 ARG HD3 H 3.2202 . . 625 125 65 ARG C C 176.3680 . . 626 125 65 ARG CA C 56.9053 . . 627 125 65 ARG CB C 30.5502 . . 628 125 65 ARG CG C 27.2764 . . 629 125 65 ARG CD C 43.4030 . . 630 125 65 ARG N N 121.1380 . . 631 126 66 ASP H H 8.1740 . . 632 126 66 ASP HA H 4.6193 . . 633 126 66 ASP HB2 H 2.7655 . . 634 126 66 ASP HB3 H 2.7655 . . 635 126 66 ASP C C 177.2470 . . 636 126 66 ASP CA C 54.9825 . . 637 126 66 ASP CB C 41.0168 . . 638 126 66 ASP N N 121.3910 . . 639 127 67 LEU H H 8.4170 . . 640 127 67 LEU HA H 4.0915 . . 641 127 67 LEU HB2 H 1.8050 . . 642 127 67 LEU HB3 H 1.8050 . . 643 127 67 LEU HG H 1.7730 . . 644 127 67 LEU HD1 H 0.9750 . . 645 127 67 LEU HD2 H 0.9450 . . 646 127 67 LEU C C 178.8030 . . 647 127 67 LEU CA C 58.0351 . . 648 127 67 LEU CB C 42.0080 . . 649 127 67 LEU CG C 27.4112 . . 650 127 67 LEU CD1 C 24.9453 . . 651 127 67 LEU CD2 C 24.9593 . . 652 127 67 LEU N N 122.5640 . . 653 128 68 ALA H H 8.3460 . . 654 128 68 ALA HA H 4.0080 . . 655 128 68 ALA HB H 1.5196 . . 656 128 68 ALA C C 180.0480 . . 657 128 68 ALA CA C 55.5121 . . 658 128 68 ALA CB C 18.1763 . . 659 128 68 ALA N N 121.3540 . . 660 129 69 THR H H 8.0690 . . 661 129 69 THR HA H 4.0111 . . 662 129 69 THR HB H 4.2443 . . 663 129 69 THR HG2 H 1.2972 . . 664 129 69 THR C C 176.3230 . . 665 129 69 THR CA C 66.0953 . . 666 129 69 THR CB C 68.5169 . . 667 129 69 THR CG2 C 21.8793 . . 668 129 69 THR N N 114.2370 . . 669 130 70 ALA H H 7.8470 . . 670 130 70 ALA HA H 4.1420 . . 671 130 70 ALA HB H 1.5351 . . 672 130 70 ALA C C 179.6390 . . 673 130 70 ALA CA C 55.2783 . . 674 130 70 ALA CB C 18.1836 . . 675 130 70 ALA N N 124.1180 . . 676 131 71 LEU H H 8.1950 . . 677 131 71 LEU HA H 4.1005 . . 678 131 71 LEU HB2 H 1.8350 . . 679 131 71 LEU HB3 H 1.8350 . . 680 131 71 LEU HG H 1.8705 . . 681 131 71 LEU HD1 H 0.9640 . . 682 131 71 LEU HD2 H 0.9400 . . 683 131 71 LEU C C 178.2260 . . 684 131 71 LEU CA C 58.1601 . . 685 131 71 LEU CB C 41.6922 . . 686 131 71 LEU CG C 27.0373 . . 687 131 71 LEU CD1 C 24.8370 . . 688 131 71 LEU CD2 C 24.9253 . . 689 131 71 LEU N N 117.2650 . . 690 132 72 GLU H H 8.0660 . . 691 132 72 GLU HA H 3.9433 . . 692 132 72 GLU HB2 H 2.2245 . . 693 132 72 GLU HB3 H 2.2245 . . 694 132 72 GLU HG2 H 2.2659 . . 695 132 72 GLU HG3 H 2.4130 . . 696 132 72 GLU C C 178.9460 . . 697 132 72 GLU CA C 59.8536 . . 698 132 72 GLU CB C 29.2987 . . 699 132 72 GLU CG C 35.9318 . . 700 132 72 GLU N N 118.4770 . . 701 133 73 GLN H H 7.9910 . . 702 133 73 GLN HA H 4.2400 . . 703 133 73 GLN HB2 H 2.2530 . . 704 133 73 GLN HB3 H 2.2530 . . 705 133 73 GLN HG2 H 2.5521 . . 706 133 73 GLN HG3 H 2.5521 . . 707 133 73 GLN C C 178.9380 . . 708 133 73 GLN CA C 58.1090 . . 709 133 73 GLN CB C 28.4050 . . 710 133 73 GLN CG C 34.2844 . . 711 133 73 GLN N N 116.9630 . . 712 134 74 LEU H H 7.9620 . . 713 134 74 LEU HA H 4.1560 . . 714 134 74 LEU HB2 H 1.7950 . . 715 134 74 LEU HB3 H 1.7950 . . 716 134 74 LEU HG H 1.7615 . . 717 134 74 LEU HD1 H 0.9550 . . 718 134 74 LEU HD2 H 0.9663 . . 719 134 74 LEU C C 178.2590 . . 720 134 74 LEU CA C 58.1596 . . 721 134 74 LEU CB C 42.1282 . . 722 134 74 LEU CG C 26.9698 . . 723 134 74 LEU CD1 C 24.9823 . . 724 134 74 LEU CD2 C 24.8833 . . 725 134 74 LEU N N 120.8990 . . 726 135 75 LEU H H 8.0370 . . 727 135 75 LEU HA H 4.1310 . . 728 135 75 LEU HB2 H 1.8653 . . 729 135 75 LEU HB3 H 1.9040 . . 730 135 75 LEU HG H 1.8500 . . 731 135 75 LEU HD1 H 0.9150 . . 732 135 75 LEU HD2 H 0.8696 . . 733 135 75 LEU C C 179.1360 . . 734 135 75 LEU CA C 57.2951 . . 735 135 75 LEU CB C 41.5515 . . 736 135 75 LEU CG C 27.1780 . . 737 135 75 LEU CD1 C 24.1985 . . 738 135 75 LEU CD2 C 23.2975 . . 739 135 75 LEU N N 116.2970 . . 740 136 76 GLN H H 7.6980 . . 741 136 76 GLN HA H 4.2073 . . 742 136 76 GLN HB2 H 2.1873 . . 743 136 76 GLN HB3 H 2.1873 . . 744 136 76 GLN HG2 H 2.5100 . . 745 136 76 GLN HG3 H 2.5100 . . 746 136 76 GLN C C 176.6880 . . 747 136 76 GLN CA C 57.3651 . . 748 136 76 GLN CB C 28.7139 . . 749 136 76 GLN CG C 34.0838 . . 750 136 76 GLN N N 115.7560 . . 751 137 77 ALA H H 7.6060 . . 752 137 77 ALA HA H 4.2785 . . 753 137 77 ALA HB H 1.4715 . . 754 137 77 ALA C C 176.9710 . . 755 137 77 ALA CA C 52.6878 . . 756 137 77 ALA CB C 19.4023 . . 757 137 77 ALA N N 120.6790 . . 758 138 78 TYR H H 7.4850 . . 759 138 78 TYR HA H 4.6527 . . 760 138 78 TYR HB2 H 3.0220 . . 761 138 78 TYR HB3 H 3.0220 . . 762 138 78 TYR HD1 H 7.0794 . . 763 138 78 TYR HD2 H 7.0794 . . 764 138 78 TYR HE1 H 6.7788 . . 765 138 78 TYR HE2 H 6.7788 . . 766 138 78 TYR CA C 56.2025 . . 767 138 78 TYR CB C 38.7746 . . 768 138 78 TYR CD1 C 133.0492 . . 769 138 78 TYR CD2 C 133.0492 . . 770 138 78 TYR CE1 C 118.0745 . . 771 138 78 TYR CE2 C 118.0745 . . 772 138 78 TYR N N 119.2910 . . 773 139 79 PRO HA H 4.4868 . . 774 139 79 PRO HB2 H 2.1523 . . 775 139 79 PRO HB3 H 1.9553 . . 776 139 79 PRO HG2 H 1.9312 . . 777 139 79 PRO HG3 H 1.9312 . . 778 139 79 PRO HD2 H 3.1570 . . 779 139 79 PRO HD3 H 3.7648 . . 780 139 79 PRO C C 175.9650 . . 781 139 79 PRO CA C 62.9425 . . 782 139 79 PRO CB C 31.2645 . . 783 139 79 PRO CG C 27.5243 . . 784 139 79 PRO CD C 50.3759 . . 785 140 80 ARG H H 7.8050 . . 786 140 80 ARG HA H 4.2517 . . 787 140 80 ARG HB2 H 1.7118 . . 788 140 80 ARG HB3 H 1.9647 . . 789 140 80 ARG HG2 H 1.7196 . . 790 140 80 ARG HG3 H 1.7196 . . 791 140 80 ARG HD2 H 3.2354 . . 792 140 80 ARG HD3 H 3.2354 . . 793 140 80 ARG C C 176.0010 . . 794 140 80 ARG CA C 55.9356 . . 795 140 80 ARG CB C 31.2154 . . 796 140 80 ARG CG C 27.2278 . . 797 140 80 ARG CD C 43.1262 . . 798 140 80 ARG N N 120.8810 . . 799 141 81 ASP H H 8.2390 . . 800 141 81 ASP HA H 4.7023 . . 801 141 81 ASP HB2 H 2.7747 . . 802 141 81 ASP HB3 H 2.6710 . . 803 141 81 ASP C C 176.2020 . . 804 141 81 ASP CA C 53.8009 . . 805 141 81 ASP CB C 41.4797 . . 806 141 81 ASP N N 120.8900 . . 807 142 82 MET H H 8.5210 . . 808 142 82 MET HA H 4.4658 . . 809 142 82 MET HB2 H 2.1843 . . 810 142 82 MET HB3 H 2.1843 . . 811 142 82 MET HG2 H 2.1100 . . 812 142 82 MET HG3 H 2.1100 . . 813 142 82 MET HE H 2.0898 . . 814 142 82 MET C C 177.3980 . . 815 142 82 MET CA C 57.1751 . . 816 142 82 MET CB C 32.6972 . . 817 142 82 MET CG C 32.4880 . . 818 142 82 MET CE C 17.3745 . . 819 142 82 MET N N 122.4440 . . 820 143 83 GLU H H 8.3140 . . 821 143 83 GLU HA H 4.1204 . . 822 143 83 GLU HB2 H 2.1634 . . 823 143 83 GLU HB3 H 2.1634 . . 824 143 83 GLU HG2 H 2.3332 . . 825 143 83 GLU HG3 H 2.3332 . . 826 143 83 GLU C C 177.4980 . . 827 143 83 GLU CA C 59.2875 . . 828 143 83 GLU CB C 29.4329 . . 829 143 83 GLU CG C 36.3834 . . 830 143 83 GLU N N 120.0690 . . 831 144 84 LYS H H 8.1640 . . 832 144 84 LYS HA H 4.1448 . . 833 144 84 LYS HB2 H 1.9066 . . 834 144 84 LYS HB3 H 1.9066 . . 835 144 84 LYS HG2 H 1.5154 . . 836 144 84 LYS HG3 H 1.5154 . . 837 144 84 LYS HD2 H 1.7470 . . 838 144 84 LYS HD3 H 1.7470 . . 839 144 84 LYS HE2 H 2.9890 . . 840 144 84 LYS HE3 H 2.9890 . . 841 144 84 LYS C C 178.5780 . . 842 144 84 LYS CA C 58.9893 . . 843 144 84 LYS CB C 32.3738 . . 844 144 84 LYS CG C 25.3679 . . 845 144 84 LYS CD C 29.2063 . . 846 144 84 LYS CE C 41.8234 . . 847 144 84 LYS N N 120.6000 . . 848 145 85 GLU H H 8.5350 . . 849 145 85 GLU HA H 3.9883 . . 850 145 85 GLU HB2 H 2.2100 . . 851 145 85 GLU HB3 H 1.9758 . . 852 145 85 GLU HG2 H 2.3687 . . 853 145 85 GLU HG3 H 2.3687 . . 854 145 85 GLU C C 177.7850 . . 855 145 85 GLU CA C 60.0543 . . 856 145 85 GLU CB C 28.9244 . . 857 145 85 GLU CG C 36.4543 . . 858 145 85 GLU N N 119.3500 . . 859 146 86 LYS H H 8.0900 . . 860 146 86 LYS HA H 3.9937 . . 861 146 86 LYS HB2 H 2.0091 . . 862 146 86 LYS HB3 H 2.0091 . . 863 146 86 LYS HG2 H 1.5130 . . 864 146 86 LYS HG3 H 1.5130 . . 865 146 86 LYS HD2 H 1.7469 . . 866 146 86 LYS HD3 H 1.7469 . . 867 146 86 LYS HE2 H 2.9727 . . 868 146 86 LYS HE3 H 2.9727 . . 869 146 86 LYS C C 178.1880 . . 870 146 86 LYS CA C 59.7548 . . 871 146 86 LYS CB C 32.3610 . . 872 146 86 LYS CG C 25.7371 . . 873 146 86 LYS CD C 29.3829 . . 874 146 86 LYS CE C 41.8138 . . 875 146 86 LYS N N 118.0990 . . 876 147 87 THR H H 7.8310 . . 877 147 87 THR HA H 3.9809 . . 878 147 87 THR HB H 4.3577 . . 879 147 87 THR HG2 H 1.2962 . . 880 147 87 THR C C 176.1770 . . 881 147 87 THR CA C 66.3361 . . 882 147 87 THR CB C 68.7927 . . 883 147 87 THR CG2 C 21.8702 . . 884 147 87 THR N N 114.4950 . . 885 148 88 MET H H 8.0330 . . 886 148 88 MET HA H 4.2255 . . 887 148 88 MET HB2 H 2.3232 . . 888 148 88 MET HB3 H 2.0969 . . 889 148 88 MET HG2 H 2.6308 . . 890 148 88 MET HG3 H 2.6308 . . 891 148 88 MET HE H 2.0802 . . 892 148 88 MET C C 177.2970 . . 893 148 88 MET CA C 58.6485 . . 894 148 88 MET CB C 32.4480 . . 895 148 88 MET CG C 32.8797 . . 896 148 88 MET CE C 17.5182 . . 897 148 88 MET N N 119.6830 . . 898 149 89 LEU H H 7.9430 . . 899 149 89 LEU HA H 4.1055 . . 900 149 89 LEU HB2 H 1.8507 . . 901 149 89 LEU HB3 H 1.8507 . . 902 149 89 LEU HG H 1.8200 . . 903 149 89 LEU HD1 H 0.9581 . . 904 149 89 LEU HD2 H 0.9243 . . 905 149 89 LEU C C 178.1520 . . 906 149 89 LEU CA C 58.1856 . . 907 149 89 LEU CB C 41.7615 . . 908 149 89 LEU CG C 27.3090 . . 909 149 89 LEU CD1 C 24.9830 . . 910 149 89 LEU CD2 C 23.6130 . . 911 149 89 LEU N N 118.9810 . . 912 150 90 VAL H H 7.9150 . . 913 150 90 VAL HA H 3.6289 . . 914 150 90 VAL HB H 2.2731 . . 915 150 90 VAL HG1 H 1.1195 . . 916 150 90 VAL HG2 H 1.0399 . . 917 150 90 VAL C C 178.4880 . . 918 150 90 VAL CA C 66.9750 . . 919 150 90 VAL CB C 31.6360 . . 920 150 90 VAL CG1 C 23.0364 . . 921 150 90 VAL CG2 C 21.4102 . . 922 150 90 VAL N N 117.9160 . . 923 151 91 LEU H H 7.9230 . . 924 151 91 LEU HA H 4.1745 . . 925 151 91 LEU HB2 H 1.7490 . . 926 151 91 LEU HB3 H 1.6503 . . 927 151 91 LEU HG H 1.7010 . . 928 151 91 LEU HD1 H 0.9300 . . 929 151 91 LEU HD2 H 0.8900 . . 930 151 91 LEU C C 177.8860 . . 931 151 91 LEU CA C 57.6586 . . 932 151 91 LEU CB C 41.8236 . . 933 151 91 LEU CG C 27.4552 . . 934 151 91 LEU CD1 C 25.4470 . . 935 151 91 LEU CD2 C 23.7670 . . 936 151 91 LEU N N 119.5130 . . 937 152 92 ALA H H 8.2220 . . 938 152 92 ALA HA H 4.0160 . . 939 152 92 ALA HB H 1.5510 . . 940 152 92 ALA C C 178.9590 . . 941 152 92 ALA CA C 55.5789 . . 942 152 92 ALA CB C 18.2153 . . 943 152 92 ALA N N 120.2820 . . 944 153 93 LEU H H 8.1180 . . 945 153 93 LEU HA H 4.0914 . . 946 153 93 LEU HB2 H 1.8842 . . 947 153 93 LEU HB3 H 1.8842 . . 948 153 93 LEU HG H 1.8503 . . 949 153 93 LEU HD1 H 0.9260 . . 950 153 93 LEU HD2 H 0.9560 . . 951 153 93 LEU C C 178.9560 . . 952 153 93 LEU CA C 58.0045 . . 953 153 93 LEU CB C 41.5987 . . 954 153 93 LEU CG C 27.0113 . . 955 153 93 LEU CD1 C 24.5236 . . 956 153 93 LEU CD2 C 24.6170 . . 957 153 93 LEU N N 117.5680 . . 958 154 94 LEU H H 8.1830 . . 959 154 94 LEU HA H 4.0995 . . 960 154 94 LEU HB2 H 1.7940 . . 961 154 94 LEU HB3 H 1.7940 . . 962 154 94 LEU HG H 1.7547 . . 963 154 94 LEU HD1 H 0.9600 . . 964 154 94 LEU HD2 H 0.9400 . . 965 154 94 LEU C C 180.2920 . . 966 154 94 LEU CA C 58.0951 . . 967 154 94 LEU CB C 41.8060 . . 968 154 94 LEU CG C 27.1479 . . 969 154 94 LEU CD1 C 24.9520 . . 970 154 94 LEU CD2 C 23.5520 . . 971 154 94 LEU N N 119.8890 . . 972 155 95 LEU H H 8.3050 . . 973 155 95 LEU HA H 4.0976 . . 974 155 95 LEU HB2 H 1.7755 . . 975 155 95 LEU HB3 H 1.7755 . . 976 155 95 LEU HG H 1.8300 . . 977 155 95 LEU HD1 H 0.9445 . . 978 155 95 LEU HD2 H 0.9530 . . 979 155 95 LEU C C 178.5480 . . 980 155 95 LEU CA C 58.1246 . . 981 155 95 LEU CB C 41.6575 . . 982 155 95 LEU CG C 27.1780 . . 983 155 95 LEU CD1 C 24.9428 . . 984 155 95 LEU CD2 C 23.8113 . . 985 155 95 LEU N N 120.5960 . . 986 156 96 ALA H H 8.3400 . . 987 156 96 ALA HA H 3.9322 . . 988 156 96 ALA HB H 1.5438 . . 989 156 96 ALA C C 179.1330 . . 990 156 96 ALA CA C 55.6171 . . 991 156 96 ALA CB C 18.2463 . . 992 156 96 ALA N N 121.2020 . . 993 157 97 LYS H H 8.1690 . . 994 157 97 LYS HA H 3.9588 . . 995 157 97 LYS HB2 H 2.0591 . . 996 157 97 LYS HB3 H 2.0591 . . 997 157 97 LYS HG2 H 1.7344 . . 998 157 97 LYS HG3 H 1.4687 . . 999 157 97 LYS HD2 H 1.7417 . . 1000 157 97 LYS HD3 H 1.7417 . . 1001 157 97 LYS HE2 H 2.9752 . . 1002 157 97 LYS HE3 H 2.9752 . . 1003 157 97 LYS C C 179.1260 . . 1004 157 97 LYS CA C 59.8680 . . 1005 157 97 LYS CB C 32.4092 . . 1006 157 97 LYS CG C 25.7939 . . 1007 157 97 LYS CD C 29.6199 . . 1008 157 97 LYS CE C 41.8254 . . 1009 157 97 LYS N N 116.0540 . . 1010 158 98 LYS H H 7.8910 . . 1011 158 98 LYS HA H 4.1765 . . 1012 158 98 LYS HB2 H 2.0100 . . 1013 158 98 LYS HB3 H 2.0100 . . 1014 158 98 LYS HG2 H 1.5838 . . 1015 158 98 LYS HG3 H 1.5838 . . 1016 158 98 LYS HD2 H 1.7450 . . 1017 158 98 LYS HD3 H 1.7450 . . 1018 158 98 LYS HE2 H 2.9680 . . 1019 158 98 LYS HE3 H 2.9680 . . 1020 158 98 LYS C C 179.5100 . . 1021 158 98 LYS CA C 59.1060 . . 1022 158 98 LYS CB C 32.4412 . . 1023 158 98 LYS CG C 25.1891 . . 1024 158 98 LYS CD C 29.4632 . . 1025 158 98 LYS CE C 41.7802 . . 1026 158 98 LYS N N 119.9910 . . 1027 159 99 VAL H H 8.3360 . . 1028 159 99 VAL HA H 3.7696 . . 1029 159 99 VAL HB H 2.2520 . . 1030 159 99 VAL HG1 H 1.0541 . . 1031 159 99 VAL HG2 H 0.9928 . . 1032 159 99 VAL C C 178.3210 . . 1033 159 99 VAL CA C 66.1952 . . 1034 159 99 VAL CB C 31.7088 . . 1035 159 99 VAL CG1 C 22.8540 . . 1036 159 99 VAL CG2 C 21.7879 . . 1037 159 99 VAL N N 118.4770 . . 1038 160 100 ALA H H 8.4380 . . 1039 160 100 ALA HA H 4.0494 . . 1040 160 100 ALA HB H 1.5304 . . 1041 160 100 ALA C C 179.4500 . . 1042 160 100 ALA CA C 55.0387 . . 1043 160 100 ALA CB C 18.3402 . . 1044 160 100 ALA N N 121.5050 . . 1045 161 101 SER H H 7.8160 . . 1046 161 101 SER HA H 4.2845 . . 1047 161 101 SER HB2 H 3.9273 . . 1048 161 101 SER HB3 H 3.9273 . . 1049 161 101 SER C C 174.5900 . . 1050 161 101 SER CA C 60.4221 . . 1051 161 101 SER CB C 63.2033 . . 1052 161 101 SER N N 111.4390 . . 1053 162 102 HIS H H 7.7840 . . 1054 162 102 HIS HA H 4.7904 . . 1055 162 102 HIS HB2 H 3.0343 . . 1056 162 102 HIS HB3 H 3.5350 . . 1057 162 102 HIS HD2 H 7.3347 . . 1058 162 102 HIS C C 174.0330 . . 1059 162 102 HIS CA C 55.8795 . . 1060 162 102 HIS CB C 29.8038 . . 1061 162 102 HIS CD2 C 121.2776 . . 1062 162 102 HIS N N 118.4770 . . 1063 163 103 THR H H 7.5850 . . 1064 163 103 THR HA H 4.3375 . . 1065 163 103 THR HB H 4.1190 . . 1066 163 103 THR HG2 H 1.2796 . . 1067 163 103 THR CA C 62.6277 . . 1068 163 103 THR CB C 69.1304 . . 1069 163 103 THR CG2 C 22.2334 . . 1070 163 103 THR N N 115.7510 . . 1071 164 104 PRO HA H 4.5932 . . 1072 164 104 PRO HB2 H 2.0155 . . 1073 164 104 PRO HB3 H 2.6081 . . 1074 164 104 PRO HG2 H 2.1252 . . 1075 164 104 PRO HG3 H 2.1252 . . 1076 164 104 PRO HD2 H 3.6559 . . 1077 164 104 PRO HD3 H 4.1645 . . 1078 164 104 PRO C C 177.7850 . . 1079 164 104 PRO CA C 63.6529 . . 1080 164 104 PRO CB C 32.4049 . . 1081 164 104 PRO CG C 27.9961 . . 1082 164 104 PRO CD C 51.0200 . . 1083 165 105 SER H H 8.8620 . . 1084 165 105 SER HA H 4.4660 . . 1085 165 105 SER HB2 H 3.9100 . . 1086 165 105 SER HB3 H 3.9100 . . 1087 165 105 SER C C 176.2900 . . 1088 165 105 SER CA C 58.7101 . . 1089 165 105 SER CB C 63.9325 . . 1090 165 105 SER N N 119.3500 . . 1091 166 106 LEU H H 8.2240 . . 1092 166 106 LEU HA H 4.3382 . . 1093 166 106 LEU HB2 H 1.7700 . . 1094 166 106 LEU HB3 H 1.5630 . . 1095 166 106 LEU HG H 1.6460 . . 1096 166 106 LEU HD1 H 1.0100 . . 1097 166 106 LEU HD2 H 0.9307 . . 1098 166 106 LEU C C 178.5290 . . 1099 166 106 LEU CA C 58.0625 . . 1100 166 106 LEU CB C 42.5612 . . 1101 166 106 LEU CG C 27.4940 . . 1102 166 106 LEU CD1 C 24.0903 . . 1103 166 106 LEU CD2 C 25.4563 . . 1104 166 106 LEU N N 117.4890 . . 1105 167 107 LEU H H 7.2270 . . 1106 167 107 LEU HA H 4.1207 . . 1107 167 107 LEU HB2 H 1.6657 . . 1108 167 107 LEU HB3 H 1.6657 . . 1109 167 107 LEU HG H 1.7185 . . 1110 167 107 LEU HD1 H 0.9753 . . 1111 167 107 LEU HD2 H 0.9268 . . 1112 167 107 LEU C C 178.0910 . . 1113 167 107 LEU CA C 57.5124 . . 1114 167 107 LEU CB C 41.7477 . . 1115 167 107 LEU CG C 27.4837 . . 1116 167 107 LEU CD1 C 24.9179 . . 1117 167 107 LEU CD2 C 23.9113 . . 1118 167 107 LEU N N 115.2150 . . 1119 168 108 ARG H H 7.6960 . . 1120 168 108 ARG HA H 3.9747 . . 1121 168 108 ARG HB2 H 2.0440 . . 1122 168 108 ARG HB3 H 2.0440 . . 1123 168 108 ARG HG2 H 1.5532 . . 1124 168 108 ARG HG3 H 1.7910 . . 1125 168 108 ARG HD2 H 3.2200 . . 1126 168 108 ARG HD3 H 3.2200 . . 1127 168 108 ARG C C 177.2970 . . 1128 168 108 ARG CA C 60.1581 . . 1129 168 108 ARG CB C 29.7958 . . 1130 168 108 ARG CG C 28.0478 . . 1131 168 108 ARG CD C 43.2380 . . 1132 168 108 ARG N N 118.9860 . . 1133 169 109 ASP H H 8.2300 . . 1134 169 109 ASP HA H 4.6424 . . 1135 169 109 ASP HB2 H 2.8967 . . 1136 169 109 ASP HB3 H 2.8967 . . 1137 169 109 ASP C C 179.4380 . . 1138 169 109 ASP CA C 57.7164 . . 1139 169 109 ASP CB C 40.1595 . . 1140 169 109 ASP N N 119.7090 . . 1141 170 110 VAL H H 8.2940 . . 1142 170 110 VAL HA H 3.8480 . . 1143 170 110 VAL HB H 2.2786 . . 1144 170 110 VAL HG1 H 1.2275 . . 1145 170 110 VAL HG2 H 1.0050 . . 1146 170 110 VAL C C 179.0390 . . 1147 170 110 VAL CA C 66.3523 . . 1148 170 110 VAL CB C 31.7041 . . 1149 170 110 VAL CG1 C 23.0581 . . 1150 170 110 VAL CG2 C 21.7735 . . 1151 170 110 VAL N N 120.5960 . . 1152 171 111 PHE H H 8.6300 . . 1153 171 111 PHE HA H 4.2163 . . 1154 171 111 PHE HB2 H 3.3389 . . 1155 171 111 PHE HB3 H 3.3389 . . 1156 171 111 PHE HD1 H 7.0255 . . 1157 171 111 PHE HD2 H 7.0255 . . 1158 171 111 PHE HE1 H 7.2120 . . 1159 171 111 PHE HE2 H 7.2120 . . 1160 171 111 PHE C C 176.3160 . . 1161 171 111 PHE CA C 61.9292 . . 1162 171 111 PHE CB C 38.8981 . . 1163 171 111 PHE CD1 C 131.5266 . . 1164 171 111 PHE CD2 C 131.5266 . . 1165 171 111 PHE CE1 C 131.2296 . . 1166 171 111 PHE CE2 C 131.2296 . . 1167 171 111 PHE N N 123.0190 . . 1168 172 112 HIS H H 8.5600 . . 1169 172 112 HIS HA H 4.2138 . . 1170 172 112 HIS HB2 H 3.4387 . . 1171 172 112 HIS HB3 H 3.4387 . . 1172 172 112 HIS HD2 H 7.3660 . . 1173 172 112 HIS C C 177.4440 . . 1174 172 112 HIS CA C 59.7727 . . 1175 172 112 HIS CB C 29.0414 . . 1176 172 112 HIS CD2 C 120.4777 . . 1177 172 112 HIS N N 117.5680 . . 1178 173 113 THR H H 7.4900 . . 1179 173 113 THR HA H 4.0081 . . 1180 173 113 THR HB H 4.3027 . . 1181 173 113 THR HG2 H 1.2986 . . 1182 173 113 THR C C 176.5330 . . 1183 173 113 THR CA C 66.8680 . . 1184 173 113 THR CB C 68.8459 . . 1185 173 113 THR CG2 C 21.9309 . . 1186 173 113 THR N N 116.2930 . . 1187 174 114 THR H H 8.1830 . . 1188 174 114 THR HA H 3.8494 . . 1189 174 114 THR HB H 4.2576 . . 1190 174 114 THR HG2 H 1.2039 . . 1191 174 114 THR C C 176.0570 . . 1192 174 114 THR CA C 68.2716 . . 1193 174 114 THR CB C 67.9563 . . 1194 174 114 THR CG2 C 21.5579 . . 1195 174 114 THR N N 119.5290 . . 1196 175 115 VAL H H 8.2860 . . 1197 175 115 VAL HA H 3.4751 . . 1198 175 115 VAL HB H 1.9518 . . 1199 175 115 VAL HG1 H 0.8690 . . 1200 175 115 VAL HG2 H 0.6174 . . 1201 175 115 VAL C C 177.6280 . . 1202 175 115 VAL CA C 67.3002 . . 1203 175 115 VAL CB C 31.3517 . . 1204 175 115 VAL CG1 C 21.6183 . . 1205 175 115 VAL CG2 C 23.0611 . . 1206 175 115 VAL N N 120.8780 . . 1207 176 116 ASN H H 7.9620 . . 1208 176 116 ASN HA H 4.5004 . . 1209 176 116 ASN HB2 H 2.8827 . . 1210 176 116 ASN HB3 H 2.8827 . . 1211 176 116 ASN C C 177.0810 . . 1212 176 116 ASN CA C 56.5475 . . 1213 176 116 ASN CB C 38.2387 . . 1214 176 116 ASN N N 117.8710 . . 1215 177 117 PHE H H 8.1460 . . 1216 177 117 PHE HA H 4.3217 . . 1217 177 117 PHE HB2 H 3.3664 . . 1218 177 117 PHE HB3 H 3.3664 . . 1219 177 117 PHE HD1 H 7.2166 . . 1220 177 117 PHE HD2 H 7.2166 . . 1221 177 117 PHE HE1 H 7.2800 . . 1222 177 117 PHE HE2 H 7.2800 . . 1223 177 117 PHE C C 178.5410 . . 1224 177 117 PHE CA C 61.6484 . . 1225 177 117 PHE CB C 39.6027 . . 1226 177 117 PHE CD1 C 132.2095 . . 1227 177 117 PHE CD2 C 132.2095 . . 1228 177 117 PHE CE1 C 131.1116 . . 1229 177 117 PHE CE2 C 131.1116 . . 1230 177 117 PHE N N 120.5960 . . 1231 178 118 ILE H H 8.4930 . . 1232 178 118 ILE HA H 3.5614 . . 1233 178 118 ILE HB H 2.0761 . . 1234 178 118 ILE HG12 H 1.2215 . . 1235 178 118 ILE HG13 H 2.1170 . . 1236 178 118 ILE HG2 H 0.9627 . . 1237 178 118 ILE HD1 H 0.9162 . . 1238 178 118 ILE C C 177.1900 . . 1239 178 118 ILE CA C 65.4846 . . 1240 178 118 ILE CB C 37.9496 . . 1241 178 118 ILE CG1 C 29.2912 . . 1242 178 118 ILE CG2 C 17.6190 . . 1243 178 118 ILE CD1 C 13.8828 . . 1244 178 118 ILE N N 120.5960 . . 1245 179 119 ASN H H 8.6070 . . 1246 179 119 ASN HA H 4.4268 . . 1247 179 119 ASN HB2 H 2.8673 . . 1248 179 119 ASN HB3 H 2.8673 . . 1249 179 119 ASN C C 177.0710 . . 1250 179 119 ASN CA C 56.4618 . . 1251 179 119 ASN CB C 39.1720 . . 1252 179 119 ASN N N 117.5680 . . 1253 180 120 GLN H H 8.2090 . . 1254 180 120 GLN HA H 4.1412 . . 1255 180 120 GLN HB2 H 2.0888 . . 1256 180 120 GLN HB3 H 2.0888 . . 1257 180 120 GLN HG2 H 2.4156 . . 1258 180 120 GLN HG3 H 2.4156 . . 1259 180 120 GLN C C 177.7880 . . 1260 180 120 GLN CA C 58.0717 . . 1261 180 120 GLN CB C 28.8709 . . 1262 180 120 GLN CG C 33.7723 . . 1263 180 120 GLN N N 115.4490 . . 1264 181 121 ASN H H 7.6410 . . 1265 181 121 ASN HA H 4.6130 . . 1266 181 121 ASN HB2 H 2.2600 . . 1267 181 121 ASN HB3 H 2.2600 . . 1268 181 121 ASN C C 176.2020 . . 1269 181 121 ASN CA C 56.0053 . . 1270 181 121 ASN CB C 40.1449 . . 1271 181 121 ASN N N 115.4490 . . 1272 182 122 LEU H H 8.4000 . . 1273 182 122 LEU HA H 4.2628 . . 1274 182 122 LEU HB2 H 1.8299 . . 1275 182 122 LEU HB3 H 1.8299 . . 1276 182 122 LEU HG H 1.7423 . . 1277 182 122 LEU HD1 H 0.9917 . . 1278 182 122 LEU HD2 H 0.9511 . . 1279 182 122 LEU C C 178.0460 . . 1280 182 122 LEU CA C 58.2478 . . 1281 182 122 LEU CB C 42.2817 . . 1282 182 122 LEU CG C 27.2522 . . 1283 182 122 LEU CD1 C 25.2199 . . 1284 182 122 LEU CD2 C 24.9213 . . 1285 182 122 LEU N N 120.2930 . . 1286 183 123 ARG H H 8.0170 . . 1287 183 123 ARG HA H 3.9326 . . 1288 183 123 ARG HB2 H 1.9270 . . 1289 183 123 ARG HB3 H 1.9270 . . 1290 183 123 ARG HG2 H 1.6030 . . 1291 183 123 ARG HG3 H 1.8080 . . 1292 183 123 ARG HD2 H 3.2225 . . 1293 183 123 ARG HD3 H 3.2225 . . 1294 183 123 ARG C C 178.0500 . . 1295 183 123 ARG CA C 59.8975 . . 1296 183 123 ARG CB C 29.9683 . . 1297 183 123 ARG CG C 28.0656 . . 1298 183 123 ARG CD C 43.3987 . . 1299 183 123 ARG N N 116.9630 . . 1300 184 124 THR H H 7.6330 . . 1301 184 124 THR HA H 3.8890 . . 1302 184 124 THR HB H 4.1416 . . 1303 184 124 THR HG2 H 1.1200 . . 1304 184 124 THR C C 176.1680 . . 1305 184 124 THR CA C 65.6850 . . 1306 184 124 THR CB C 68.5245 . . 1307 184 124 THR CG2 C 21.8333 . . 1308 184 124 THR N N 113.6320 . . 1309 185 125 TYR H H 7.8280 . . 1310 185 125 TYR HA H 4.3625 . . 1311 185 125 TYR HB2 H 3.1143 . . 1312 185 125 TYR HB3 H 3.1143 . . 1313 185 125 TYR HD1 H 7.0500 . . 1314 185 125 TYR HD2 H 7.0500 . . 1315 185 125 TYR HE1 H 6.7680 . . 1316 185 125 TYR HE2 H 6.7680 . . 1317 185 125 TYR C C 177.9670 . . 1318 185 125 TYR CA C 61.0154 . . 1319 185 125 TYR CB C 38.6901 . . 1320 185 125 TYR CD1 C 132.3633 . . 1321 185 125 TYR CD2 C 132.3633 . . 1322 185 125 TYR CE1 C 118.1590 . . 1323 185 125 TYR CE2 C 118.1590 . . 1324 185 125 TYR N N 121.6560 . . 1325 186 126 VAL H H 8.2670 . . 1326 186 126 VAL HA H 3.6820 . . 1327 186 126 VAL HB H 2.2148 . . 1328 186 126 VAL HG1 H 1.1121 . . 1329 186 126 VAL HG2 H 1.0000 . . 1330 186 126 VAL C C 177.4120 . . 1331 186 126 VAL CA C 66.0333 . . 1332 186 126 VAL CB C 31.5467 . . 1333 186 126 VAL CG1 C 21.8670 . . 1334 186 126 VAL CG2 C 22.7870 . . 1335 186 126 VAL N N 117.5680 . . 1336 187 127 ARG H H 7.8620 . . 1337 187 127 ARG HA H 4.1059 . . 1338 187 127 ARG HB2 H 1.9438 . . 1339 187 127 ARG HB3 H 1.9438 . . 1340 187 127 ARG HG2 H 1.7970 . . 1341 187 127 ARG HG3 H 1.7970 . . 1342 187 127 ARG HD2 H 3.2202 . . 1343 187 127 ARG HD3 H 3.2202 . . 1344 187 127 ARG C C 178.1450 . . 1345 187 127 ARG CA C 58.8864 . . 1346 187 127 ARG CB C 30.0206 . . 1347 187 127 ARG CG C 27.7814 . . 1348 187 127 ARG CD C 43.4390 . . 1349 187 127 ARG N N 118.7790 . . 1350 188 128 SER H H 7.7760 . . 1351 188 128 SER HA H 4.3155 . . 1352 188 128 SER HB2 H 3.9870 . . 1353 188 128 SER HB3 H 3.9870 . . 1354 188 128 SER C C 175.3110 . . 1355 188 128 SER CA C 60.6411 . . 1356 188 128 SER CB C 63.3080 . . 1357 188 128 SER N N 113.9350 . . 1358 189 129 LEU H H 7.5650 . . 1359 189 129 LEU HA H 4.2056 . . 1360 189 129 LEU HB2 H 1.5400 . . 1361 189 129 LEU HB3 H 1.8183 . . 1362 189 129 LEU HG H 1.6845 . . 1363 189 129 LEU HD1 H 0.8090 . . 1364 189 129 LEU HD2 H 0.8453 . . 1365 189 129 LEU C C 177.3440 . . 1366 189 129 LEU CA C 56.0473 . . 1367 189 129 LEU CB C 42.2732 . . 1368 189 129 LEU CG C 26.7533 . . 1369 189 129 LEU CD1 C 25.5769 . . 1370 189 129 LEU CD2 C 23.1346 . . 1371 189 129 LEU N N 121.5050 . . 1372 190 130 ALA H H 7.6800 . . 1373 190 130 ALA HA H 4.2780 . . 1374 190 130 ALA HB H 1.4165 . . 1375 190 130 ALA C C 177.5240 . . 1376 190 130 ALA CA C 52.7178 . . 1377 190 130 ALA CB C 19.1655 . . 1378 190 130 ALA N N 120.8990 . . 1379 191 131 ARG H H 7.9270 . . 1380 191 131 ARG HA H 4.3420 . . 1381 191 131 ARG HB2 H 1.9345 . . 1382 191 131 ARG HB3 H 1.9345 . . 1383 191 131 ARG HG2 H 1.6935 . . 1384 191 131 ARG HG3 H 1.6935 . . 1385 191 131 ARG HD2 H 3.2100 . . 1386 191 131 ARG HD3 H 3.2100 . . 1387 191 131 ARG C C 176.3040 . . 1388 191 131 ARG CA C 56.1671 . . 1389 191 131 ARG CB C 30.2312 . . 1390 191 131 ARG CG C 27.2680 . . 1391 191 131 ARG CD C 43.3680 . . 1392 191 131 ARG N N 118.3350 . . 1393 192 132 ASN H H 8.2480 . . 1394 192 132 ASN HA H 4.7600 . . 1395 192 132 ASN HB2 H 2.8620 . . 1396 192 132 ASN HB3 H 2.8620 . . 1397 192 132 ASN C C 175.7540 . . 1398 192 132 ASN CA C 53.4827 . . 1399 192 132 ASN CB C 39.0842 . . 1400 192 132 ASN N N 119.0340 . . 1401 193 133 GLY H H 8.3270 . . 1402 193 133 GLY HA2 H 3.9757 . . 1403 193 133 GLY HA3 H 3.9757 . . 1404 193 133 GLY C C 174.0490 . . 1405 193 133 GLY CA C 45.5594 . . 1406 193 133 GLY N N 109.0900 . . 1407 194 134 MET H H 8.0340 . . 1408 194 134 MET HA H 4.5330 . . 1409 194 134 MET HB2 H 2.1313 . . 1410 194 134 MET HB3 H 2.1313 . . 1411 194 134 MET HG2 H 2.5854 . . 1412 194 134 MET HG3 H 2.5854 . . 1413 194 134 MET HE H 2.0217 . . 1414 194 134 MET C C 175.0690 . . 1415 194 134 MET CA C 55.3511 . . 1416 194 134 MET CB C 33.3082 . . 1417 194 134 MET CG C 32.1698 . . 1418 194 134 MET CE C 16.1636 . . 1419 194 134 MET N N 119.5970 . . 1420 195 135 ASP H H 7.8900 . . 1421 195 135 ASP HA H 4.1350 . . 1422 195 135 ASP HB2 H 2.7700 . . 1423 195 135 ASP HB3 H 2.7700 . . 1424 195 135 ASP CA C 55.8980 . . 1425 195 135 ASP CB C 42.2710 . . 1426 195 135 ASP N N 126.5090 . . stop_ save_