data_25385 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of Ssa1 substrate binding domain ; _BMRB_accession_number 25385 _BMRB_flat_file_name bmr25385.str _Entry_type original _Submission_date 2014-12-08 _Accession_date 2014-12-08 _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 Hu Wanhui . . 2 Wu Huiwen . . 3 Zhang Hong . . 4 Gong Weibin . . 5 Perrett Sarah . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 909 "13C chemical shifts" 727 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-30 original BMRB . stop_ _Original_release_date 2016-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments for the substrate binding domain of Hsp70 chaperone Ssa1 from Saccharomyces cerevisiae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25682100 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hu Wanhui . . 2 Wu Huiwen . . 3 Zhang Hong . . 4 Gong Weibin . . 5 Perrett Sarah . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 329 _Page_last 332 _Year 2015 _Details . loop_ _Keyword Ssa1 'solution NMR' 'substrate binding domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ssa1 substrate binding domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ssa1 substrate binding domain' $Ssa1_substrate_binding_domain stop_ _System_molecular_weight 18838.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ssa1_substrate_binding_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ssa1_substrate_binding_domain _Molecular_mass 18838.3 _Mol_thiol_state 'all free' loop_ _Biological_function 'substrate binding domain of Ssa1 (Hsp70)' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; SSSKTQDLLLLDVAPLSLGI ETAGGVMTKLIPRNSTIPTK KSEIFSTYADNQPGVLIQVF EGERAKTKDNNLLGKFELSG IPPAPRGVPQIEVTFDVDSN GILNVSAVEKGTGKSNKITI TNDKGRLSKEDIEKMVAEAE KFKEEDEKESQRIASKNQLE SIAYSLKNTISEAG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 SER 4 LYS 5 THR 6 GLN 7 ASP 8 LEU 9 LEU 10 LEU 11 LEU 12 ASP 13 VAL 14 ALA 15 PRO 16 LEU 17 SER 18 LEU 19 GLY 20 ILE 21 GLU 22 THR 23 ALA 24 GLY 25 GLY 26 VAL 27 MET 28 THR 29 LYS 30 LEU 31 ILE 32 PRO 33 ARG 34 ASN 35 SER 36 THR 37 ILE 38 PRO 39 THR 40 LYS 41 LYS 42 SER 43 GLU 44 ILE 45 PHE 46 SER 47 THR 48 TYR 49 ALA 50 ASP 51 ASN 52 GLN 53 PRO 54 GLY 55 VAL 56 LEU 57 ILE 58 GLN 59 VAL 60 PHE 61 GLU 62 GLY 63 GLU 64 ARG 65 ALA 66 LYS 67 THR 68 LYS 69 ASP 70 ASN 71 ASN 72 LEU 73 LEU 74 GLY 75 LYS 76 PHE 77 GLU 78 LEU 79 SER 80 GLY 81 ILE 82 PRO 83 PRO 84 ALA 85 PRO 86 ARG 87 GLY 88 VAL 89 PRO 90 GLN 91 ILE 92 GLU 93 VAL 94 THR 95 PHE 96 ASP 97 VAL 98 ASP 99 SER 100 ASN 101 GLY 102 ILE 103 LEU 104 ASN 105 VAL 106 SER 107 ALA 108 VAL 109 GLU 110 LYS 111 GLY 112 THR 113 GLY 114 LYS 115 SER 116 ASN 117 LYS 118 ILE 119 THR 120 ILE 121 THR 122 ASN 123 ASP 124 LYS 125 GLY 126 ARG 127 LEU 128 SER 129 LYS 130 GLU 131 ASP 132 ILE 133 GLU 134 LYS 135 MET 136 VAL 137 ALA 138 GLU 139 ALA 140 GLU 141 LYS 142 PHE 143 LYS 144 GLU 145 GLU 146 ASP 147 GLU 148 LYS 149 GLU 150 SER 151 GLN 152 ARG 153 ILE 154 ALA 155 SER 156 LYS 157 ASN 158 GLN 159 LEU 160 GLU 161 SER 162 ILE 163 ALA 164 TYR 165 SER 166 LEU 167 LYS 168 ASN 169 THR 170 ILE 171 SER 172 GLU 173 ALA 174 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ssa1_substrate_binding_domain "baker's yeast" 4932 Eucaryotes Fungi Saccharomyces cerevisiae 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 $Ssa1_substrate_binding_domain 'recombinant technology' . Escherichia coli BL21(DE3) pET28a 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 $Ssa1_substrate_binding_domain 1 mM '[U-99% 15N]' D2O 10 '% v/v' '[U-99% 2H]' H2O 90 '% v/v' 'natural abundance' DTT 4 mM 'natural abundance' DSS 0.002 '% w/v' 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ssa1_substrate_binding_domain 1 mM '[U-99% 13C; U-99% 15N]' D2O 10 '% v/v' '[U-99% 2H]' H2O 90 '% v/v' 'natural abundance' DTT 4 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 'NMRViewJ 8.0' 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 Varian _Model DD2 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 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' 250 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HCACO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' 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 'Ssa1 substrate binding 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 4 4 LYS HA H 4.3810 . 1 2 4 4 LYS HB2 H 1.8660 . 2 3 4 4 LYS HB3 H 1.7680 . 2 4 4 4 LYS HG2 H 1.4080 . 2 5 4 4 LYS HD2 H 1.6650 . 2 6 4 4 LYS HE2 H 2.9840 . 2 7 4 4 LYS C C 176.8979 . 1 8 4 4 LYS CA C 56.5953 . 1 9 4 4 LYS CB C 32.9516 . 1 10 4 4 LYS CG C 24.6460 . 1 11 4 4 LYS CD C 29.1010 . 1 12 4 4 LYS CE C 42.1380 . 1 13 5 5 THR H H 8.1395 . 1 14 5 5 THR HA H 4.2730 . 1 15 5 5 THR HB H 4.1990 . 1 16 5 5 THR HG2 H 1.1790 . 1 17 5 5 THR C C 174.6806 . 1 18 5 5 THR CA C 62.1685 . 1 19 5 5 THR CB C 69.5721 . 1 20 5 5 THR CG2 C 21.5270 . 1 21 5 5 THR N N 115.2123 . 1 22 6 6 GLN H H 8.3788 . 1 23 6 6 GLN HA H 4.2890 . 1 24 6 6 GLN HB2 H 1.9770 . 2 25 6 6 GLN HB3 H 2.0800 . 2 26 6 6 GLN HG2 H 2.3300 . 2 27 6 6 GLN HE21 H 7.5480 . 2 28 6 6 GLN HE22 H 6.8530 . 2 29 6 6 GLN C C 175.5988 . 1 30 6 6 GLN CA C 56.1234 . 1 31 6 6 GLN CB C 29.4700 . 1 32 6 6 GLN CG C 33.7730 . 1 33 6 6 GLN N N 122.1801 . 1 34 6 6 GLN NE2 N 112.4940 . 1 35 7 7 ASP H H 8.3190 . 1 36 7 7 ASP HA H 4.5330 . 1 37 7 7 ASP HB2 H 2.5620 . 2 38 7 7 ASP HB3 H 2.6760 . 2 39 7 7 ASP C C 176.1606 . 1 40 7 7 ASP CA C 54.6527 . 1 41 7 7 ASP CB C 41.1031 . 1 42 7 7 ASP N N 121.6338 . 1 43 8 8 LEU H H 8.0796 . 1 44 8 8 LEU HA H 4.2860 . 1 45 8 8 LEU HB2 H 1.6230 . 2 46 8 8 LEU HB3 H 1.5560 . 2 47 8 8 LEU HG H 1.5890 . 1 48 8 8 LEU HD1 H 0.8400 . 2 49 8 8 LEU HD2 H 0.8970 . 2 50 8 8 LEU C C 177.0469 . 1 51 8 8 LEU CA C 55.3229 . 1 52 8 8 LEU CB C 42.3301 . 1 53 8 8 LEU CG C 26.9030 . 1 54 8 8 LEU CD1 C 23.5970 . 2 55 8 8 LEU CD2 C 24.9550 . 2 56 8 8 LEU N N 122.0717 . 1 57 9 9 LEU H H 8.1579 . 1 58 9 9 LEU HA H 4.2970 . 1 59 9 9 LEU HB2 H 1.5570 . 2 60 9 9 LEU HB3 H 1.6140 . 2 61 9 9 LEU HG H 1.5750 . 1 62 9 9 LEU HD1 H 0.8930 . 2 63 9 9 LEU HD2 H 0.8400 . 2 64 9 9 LEU C C 176.8244 . 1 65 9 9 LEU CA C 54.9470 . 1 66 9 9 LEU CB C 42.1533 . 1 67 9 9 LEU CG C 27.0470 . 1 68 9 9 LEU CD1 C 24.9450 . 2 69 9 9 LEU CD2 C 23.6310 . 2 70 9 9 LEU N N 122.4963 . 1 71 10 10 LEU H H 8.0558 . 1 72 10 10 LEU HA H 4.3070 . 1 73 10 10 LEU HB2 H 1.6180 . 2 74 10 10 LEU HB3 H 1.5610 . 2 75 10 10 LEU HG H 1.5740 . 1 76 10 10 LEU HD1 H 0.8920 . 2 77 10 10 LEU HD2 H 0.8440 . 2 78 10 10 LEU CA C 54.9470 . 1 79 10 10 LEU CB C 42.1533 . 1 80 10 10 LEU CG C 27.0800 . 1 81 10 10 LEU CD1 C 24.9610 . 2 82 10 10 LEU CD2 C 23.6130 . 2 83 10 10 LEU N N 122.9346 . 1 84 11 11 LEU H H 8.0730 . 1 85 11 11 LEU HA H 4.4590 . 1 86 11 11 LEU HB2 H 1.6080 . 2 87 11 11 LEU HG H 1.5820 . 1 88 11 11 LEU HD1 H 0.9000 . 2 89 11 11 LEU HD2 H 0.8370 . 2 90 11 11 LEU C C 176.5480 . 1 91 11 11 LEU CA C 54.5072 . 1 92 11 11 LEU CB C 43.1530 . 1 93 11 11 LEU CG C 26.8420 . 1 94 11 11 LEU CD1 C 25.1300 . 2 95 11 11 LEU CD2 C 23.5400 . 2 96 11 11 LEU N N 122.9380 . 1 97 12 12 ASP H H 8.4770 . 1 98 12 12 ASP HA H 4.6760 . 1 99 12 12 ASP HB2 H 2.6290 . 2 100 12 12 ASP HB3 H 2.7210 . 2 101 12 12 ASP C C 175.4430 . 1 102 12 12 ASP CA C 53.9902 . 1 103 12 12 ASP CB C 41.3600 . 1 104 12 12 ASP N N 120.9240 . 1 105 13 13 VAL H H 7.5980 . 1 106 13 13 VAL HA H 5.1060 . 1 107 13 13 VAL HB H 1.5940 . 1 108 13 13 VAL HG1 H 0.6520 . 2 109 13 13 VAL HG2 H 0.6380 . 2 110 13 13 VAL C C 175.6130 . 1 111 13 13 VAL CA C 57.9552 . 1 112 13 13 VAL CB C 36.5480 . 1 113 13 13 VAL CG1 C 21.5590 . 2 114 13 13 VAL CG2 C 18.0800 . 2 115 13 13 VAL N N 110.8670 . 1 116 14 14 ALA H H 8.4940 . 1 117 14 14 ALA HA H 4.6090 . 1 118 14 14 ALA HB H 1.2340 . 1 119 14 14 ALA C C 176.3290 . 1 120 14 14 ALA CA C 48.9982 . 1 121 14 14 ALA CB C 17.5060 . 1 122 14 14 ALA N N 125.8240 . 1 123 15 15 PRO HA H 4.3400 . 1 124 15 15 PRO HB2 H 1.9110 . 2 125 15 15 PRO HB3 H 2.3120 . 2 126 15 15 PRO HG2 H 2.0570 . 2 127 15 15 PRO HD2 H 4.1420 . 2 128 15 15 PRO C C 175.4847 . 1 129 15 15 PRO CA C 64.2587 . 1 130 15 15 PRO CB C 32.5580 . 1 131 15 15 PRO CG C 27.0210 . 1 132 15 15 PRO CD C 50.9122 . 1 133 16 16 LEU H H 7.3418 . 1 134 16 16 LEU HA H 4.6060 . 1 135 16 16 LEU HB2 H 1.6110 . 2 136 16 16 LEU HB3 H 1.3530 . 2 137 16 16 LEU HG H 1.4710 . 1 138 16 16 LEU HD1 H 1.1200 . 2 139 16 16 LEU HD2 H 0.8549 . 2 140 16 16 LEU C C 175.9538 . 1 141 16 16 LEU CA C 52.4499 . 1 142 16 16 LEU CB C 48.6451 . 1 143 16 16 LEU CG C 27.3560 . 1 144 16 16 LEU CD1 C 24.4000 . 2 145 16 16 LEU CD2 C 27.2100 . 2 146 16 16 LEU N N 113.9461 . 1 147 17 17 SER H H 10.6724 . 1 148 17 17 SER HA H 4.8190 . 1 149 17 17 SER HB2 H 3.3350 . 2 150 17 17 SER HB3 H 4.1843 . 2 151 17 17 SER C C 172.7147 . 1 152 17 17 SER CA C 59.0722 . 1 153 17 17 SER CB C 62.8786 . 1 154 17 17 SER N N 119.5221 . 1 155 18 18 LEU H H 8.6890 . 1 156 18 18 LEU HA H 5.5050 . 1 157 18 18 LEU HB2 H 1.4890 . 2 158 18 18 LEU HB3 H 1.7920 . 2 159 18 18 LEU HG H 1.9360 . 1 160 18 18 LEU HD1 H 0.9180 . 2 161 18 18 LEU HD2 H 0.9536 . 2 162 18 18 LEU C C 178.0646 . 1 163 18 18 LEU CA C 52.3008 . 1 164 18 18 LEU CB C 46.4845 . 1 165 18 18 LEU CG C 26.1800 . 1 166 18 18 LEU CD1 C 23.8460 . 2 167 18 18 LEU CD2 C 26.0300 . 2 168 18 18 LEU N N 120.5695 . 1 169 19 19 GLY H H 9.3029 . 1 170 19 19 GLY HA2 H 4.4030 . 2 171 19 19 GLY HA3 H 4.0510 . 2 172 19 19 GLY C C 170.9098 . 1 173 19 19 GLY CA C 46.5337 . 1 174 19 19 GLY N N 112.2530 . 1 175 20 20 ILE H H 8.3751 . 1 176 20 20 ILE HB H 1.8960 . 1 177 20 20 ILE HG12 H 1.0190 . 2 178 20 20 ILE HG13 H 0.5760 . 2 179 20 20 ILE HG2 H 0.8580 . 1 180 20 20 ILE HD1 H -0.0940 . 1 181 20 20 ILE C C 174.2627 . 1 182 20 20 ILE CA C 57.6217 . 1 183 20 20 ILE CB C 42.8958 . 1 184 20 20 ILE CG1 C 24.9350 . 1 185 20 20 ILE CG2 C 18.0620 . 1 186 20 20 ILE CD1 C 14.2810 . 1 187 20 20 ILE N N 113.2599 . 1 188 21 21 GLU H H 7.3483 . 1 189 21 21 GLU HA H 4.7770 . 1 190 21 21 GLU HB2 H 2.0800 . 2 191 21 21 GLU HG2 H 2.3600 . 2 192 21 21 GLU C C 177.1468 . 1 193 21 21 GLU CA C 55.7939 . 1 194 21 21 GLU CB C 32.0788 . 1 195 21 21 GLU CG C 36.8170 . 1 196 21 21 GLU N N 119.6403 . 1 197 22 22 THR H H 9.4740 . 1 198 22 22 THR HA H 4.8100 . 1 199 22 22 THR HB H 4.7700 . 1 200 22 22 THR HG1 H 5.4400 . 1 201 22 22 THR HG2 H 1.2100 . 1 202 22 22 THR C C 174.2287 . 1 203 22 22 THR CA C 60.4992 . 1 204 22 22 THR CB C 70.4737 . 1 205 22 22 THR CG2 C 22.8000 . 1 206 22 22 THR N N 120.6285 . 1 207 23 23 ALA H H 8.2986 . 1 208 23 23 ALA HA H 4.0330 . 1 209 23 23 ALA HB H 0.7880 . 1 210 23 23 ALA C C 178.0257 . 1 211 23 23 ALA CA C 53.7497 . 1 212 23 23 ALA CB C 19.1644 . 1 213 23 23 ALA N N 119.4300 . 1 214 24 24 GLY H H 8.3845 . 1 215 24 24 GLY HA2 H 3.9480 . 2 216 24 24 GLY C C 174.7970 . 1 217 24 24 GLY CA C 45.3135 . 1 218 24 24 GLY N N 108.3064 . 1 219 25 25 GLY H H 8.2025 . 1 220 25 25 GLY HA2 H 3.5176 . 2 221 25 25 GLY HA3 H 3.2790 . 2 222 25 25 GLY C C 174.3100 . 1 223 25 25 GLY CA C 45.8305 . 1 224 25 25 GLY N N 108.7121 . 1 225 26 26 VAL H H 7.1837 . 1 226 26 26 VAL HA H 3.8060 . 1 227 26 26 VAL HB H 1.7590 . 1 228 26 26 VAL HG1 H 0.7500 . 2 229 26 26 VAL HG2 H 0.7510 . 2 230 26 26 VAL C C 174.4235 . 1 231 26 26 VAL CA C 62.3731 . 1 232 26 26 VAL CB C 34.0530 . 1 233 26 26 VAL CG1 C 22.3520 . 2 234 26 26 VAL CG2 C 20.9960 . 2 235 26 26 VAL N N 122.8994 . 1 236 27 27 MET H H 8.2634 . 1 237 27 27 MET HA H 3.8650 . 1 238 27 27 MET HB2 H 2.0290 . 2 239 27 27 MET HB3 H 0.7103 . 2 240 27 27 MET HG2 H 2.1200 . 2 241 27 27 MET HG3 H 2.2200 . 2 242 27 27 MET HE H 2.2700 . 1 243 27 27 MET C C 174.0467 . 1 244 27 27 MET CA C 54.5261 . 1 245 27 27 MET CB C 33.6020 . 1 246 27 27 MET CG C 33.6000 . 1 247 27 27 MET CE C 17.6000 . 1 248 27 27 MET N N 125.0857 . 1 249 28 28 THR H H 8.9861 . 1 250 28 28 THR HA H 4.4890 . 1 251 28 28 THR HB H 4.0050 . 1 252 28 28 THR HG2 H 1.2780 . 1 253 28 28 THR C C 174.1163 . 1 254 28 28 THR CA C 62.5243 . 1 255 28 28 THR CB C 69.0298 . 1 256 28 28 THR CG2 C 21.4790 . 1 257 28 28 THR N N 130.0099 . 1 258 29 29 LYS H H 8.9120 . 1 259 29 29 LYS HA H 3.8174 . 1 260 29 29 LYS HB2 H 1.7500 . 2 261 29 29 LYS HB3 H 1.2600 . 2 262 29 29 LYS HG2 H 1.4400 . 2 263 29 29 LYS HG3 H 0.9700 . 2 264 29 29 LYS HD2 H 1.6670 . 2 265 29 29 LYS HE2 H 2.8700 . 2 266 29 29 LYS HE3 H 2.9495 . 2 267 29 29 LYS C C 175.6439 . 1 268 29 29 LYS CA C 58.1278 . 1 269 29 29 LYS CB C 33.4441 . 1 270 29 29 LYS CG C 26.8740 . 1 271 29 29 LYS CD C 30.0800 . 1 272 29 29 LYS CE C 41.8730 . 1 273 29 29 LYS N N 126.3676 . 1 274 30 30 LEU H H 8.8512 . 1 275 30 30 LEU HA H 4.4860 . 1 276 30 30 LEU HB2 H 1.0650 . 2 277 30 30 LEU HB3 H 0.5430 . 2 278 30 30 LEU HG H 1.4320 . 1 279 30 30 LEU HD1 H 0.6580 . 2 280 30 30 LEU HD2 H 0.5680 . 2 281 30 30 LEU C C 176.0609 . 1 282 30 30 LEU CA C 56.2766 . 1 283 30 30 LEU CB C 43.7649 . 1 284 30 30 LEU CG C 29.6820 . 1 285 30 30 LEU CD1 C 24.5860 . 2 286 30 30 LEU CD2 C 24.5860 . 2 287 30 30 LEU N N 123.3995 . 1 288 31 31 ILE H H 7.6559 . 1 289 31 31 ILE HA H 4.6040 . 1 290 31 31 ILE HB H 1.9720 . 1 291 31 31 ILE HG12 H 1.3489 . 2 292 31 31 ILE HG13 H 1.1290 . 2 293 31 31 ILE HG2 H 0.7650 . 1 294 31 31 ILE HD1 H 0.8690 . 1 295 31 31 ILE C C 173.2508 . 1 296 31 31 ILE CA C 56.7320 . 1 297 31 31 ILE CB C 40.2669 . 1 298 31 31 ILE CG1 C 26.8500 . 1 299 31 31 ILE CG2 C 16.1890 . 1 300 31 31 ILE CD1 C 13.4240 . 1 301 31 31 ILE N N 116.6936 . 1 302 32 32 PRO HA H 4.3200 . 1 303 32 32 PRO HB2 H 1.8600 . 2 304 32 32 PRO HB3 H 2.3228 . 2 305 32 32 PRO HG2 H 2.0000 . 2 306 32 32 PRO HD2 H 4.1380 . 2 307 32 32 PRO C C 176.5290 . 1 308 32 32 PRO CA C 62.1282 . 1 309 32 32 PRO CB C 32.8130 . 1 310 32 32 PRO CG C 27.3160 . 1 311 32 32 PRO CD C 51.0342 . 1 312 33 33 ARG H H 8.6860 . 1 313 33 33 ARG HA H 3.4530 . 1 314 33 33 ARG HB2 H 1.5750 . 2 315 33 33 ARG HB3 H 1.9400 . 2 316 33 33 ARG HG2 H 1.2180 . 2 317 33 33 ARG HG3 H 1.3780 . 2 318 33 33 ARG HD2 H 3.1990 . 2 319 33 33 ARG HD3 H 3.0032 . 2 320 33 33 ARG HE H 7.1500 . 1 321 33 33 ARG C C 175.7110 . 1 322 33 33 ARG CA C 57.5602 . 1 323 33 33 ARG CB C 29.6930 . 1 324 33 33 ARG CG C 27.4450 . 1 325 33 33 ARG CD C 43.1710 . 1 326 33 33 ARG N N 125.5930 . 1 327 33 33 ARG NE N 84.3430 . 1 328 34 34 ASN H H 9.4640 . 1 329 34 34 ASN HA H 4.1760 . 1 330 34 34 ASN HB2 H 3.1930 . 2 331 34 34 ASN HB3 H 3.0070 . 2 332 34 34 ASN HD21 H 7.5988 . 2 333 34 34 ASN HD22 H 6.4910 . 2 334 34 34 ASN C C 174.5690 . 1 335 34 34 ASN CA C 55.0962 . 1 336 34 34 ASN CB C 36.1210 . 1 337 34 34 ASN N N 118.3080 . 1 338 34 34 ASN ND2 N 110.9000 . 1 339 35 35 SER H H 7.7330 . 1 340 35 35 SER HA H 4.4650 . 1 341 35 35 SER HB2 H 3.6220 . 2 342 35 35 SER HB3 H 3.8408 . 2 343 35 35 SER C C 173.7120 . 1 344 35 35 SER CA C 59.8362 . 1 345 35 35 SER CB C 63.8762 . 1 346 35 35 SER N N 115.1220 . 1 347 36 36 THR H H 8.4610 . 1 348 36 36 THR HA H 4.4600 . 1 349 36 36 THR HB H 4.1260 . 1 350 36 36 THR HG2 H 1.2550 . 1 351 36 36 THR C C 173.5460 . 1 352 36 36 THR CA C 63.2822 . 1 353 36 36 THR CB C 69.4542 . 1 354 36 36 THR CG2 C 22.4160 . 1 355 36 36 THR N N 118.7010 . 1 356 37 37 ILE H H 7.7170 . 1 357 37 37 ILE HA H 4.2000 . 1 358 37 37 ILE HB H 1.5500 . 1 359 37 37 ILE HG12 H 1.1600 . 2 360 37 37 ILE HG13 H 0.6600 . 2 361 37 37 ILE HG2 H 0.7100 . 1 362 37 37 ILE HD1 H 0.8080 . 1 363 37 37 ILE C C 173.6430 . 1 364 37 37 ILE CA C 57.6042 . 1 365 37 37 ILE CB C 39.1080 . 1 366 37 37 ILE CG1 C 25.9500 . 1 367 37 37 ILE CG2 C 17.8270 . 1 368 37 37 ILE CD1 C 12.8230 . 1 369 37 37 ILE N N 118.3530 . 1 370 38 38 PRO HA H 4.4600 . 1 371 38 38 PRO HB2 H 2.1830 . 2 372 38 38 PRO HB3 H 2.3280 . 2 373 38 38 PRO HG2 H 1.8680 . 2 374 38 38 PRO HD2 H 3.7010 . 2 375 38 38 PRO HD3 H 3.4000 . 2 376 38 38 PRO C C 175.8970 . 1 377 38 38 PRO CA C 62.2102 . 1 378 38 38 PRO CB C 36.4380 . 1 379 38 38 PRO CG C 24.5310 . 1 380 38 38 PRO CD C 51.2472 . 1 381 39 39 THR H H 8.5500 . 1 382 39 39 THR HA H 4.5990 . 1 383 39 39 THR HB H 4.5400 . 1 384 39 39 THR HG2 H 1.0230 . 1 385 39 39 THR C C 169.7610 . 1 386 39 39 THR CA C 61.4522 . 1 387 39 39 THR CB C 68.3892 . 1 388 39 39 THR CG2 C 19.4510 . 1 389 39 39 THR N N 115.4610 . 1 390 40 40 LYS H H 7.7260 . 1 391 40 40 LYS HA H 5.6070 . 1 392 40 40 LYS HB2 H 1.7680 . 2 393 40 40 LYS HB3 H 1.7990 . 2 394 40 40 LYS HG2 H 1.2970 . 2 395 40 40 LYS HG3 H 1.2350 . 2 396 40 40 LYS HD2 H 1.5960 . 2 397 40 40 LYS HE2 H 2.8680 . 2 398 40 40 LYS C C 175.3650 . 1 399 40 40 LYS CA C 54.8742 . 1 400 40 40 LYS CB C 35.5760 . 1 401 40 40 LYS CG C 24.4210 . 1 402 40 40 LYS CD C 29.5680 . 1 403 40 40 LYS CE C 41.9110 . 1 404 40 40 LYS N N 124.0980 . 1 405 41 41 LYS H H 9.0670 . 1 406 41 41 LYS HA H 4.8240 . 1 407 41 41 LYS HB2 H 1.7650 . 2 408 41 41 LYS HB3 H 1.7030 . 2 409 41 41 LYS HG2 H 1.4410 . 2 410 41 41 LYS HG3 H 1.5500 . 2 411 41 41 LYS HD2 H 1.9280 . 2 412 41 41 LYS HE2 H 3.0750 . 2 413 41 41 LYS C C 174.2180 . 1 414 41 41 LYS CA C 54.3032 . 1 415 41 41 LYS CB C 37.0760 . 1 416 41 41 LYS CG C 24.6160 . 1 417 41 41 LYS CD C 28.0630 . 1 418 41 41 LYS CE C 42.3440 . 1 419 41 41 LYS N N 125.6200 . 1 420 42 42 SER H H 8.6530 . 1 421 42 42 SER HA H 6.0190 . 1 422 42 42 SER HB2 H 3.5970 . 2 423 42 42 SER HB3 H 3.7350 . 2 424 42 42 SER C C 173.1170 . 1 425 42 42 SER CA C 56.5912 . 1 426 42 42 SER CB C 66.8082 . 1 427 42 42 SER N N 118.8370 . 1 428 43 43 GLU H H 8.8970 . 1 429 43 43 GLU HA H 4.6050 . 1 430 43 43 GLU HB2 H 1.8600 . 2 431 43 43 GLU HB3 H 1.7500 . 2 432 43 43 GLU HG2 H 1.9400 . 2 433 43 43 GLU HG3 H 1.9900 . 2 434 43 43 GLU C C 173.2900 . 1 435 43 43 GLU CA C 54.8602 . 1 436 43 43 GLU CB C 34.7200 . 1 437 43 43 GLU CG C 36.2060 . 1 438 43 43 GLU N N 122.2180 . 1 439 44 44 ILE H H 8.8250 . 1 440 44 44 ILE HA H 4.6710 . 1 441 44 44 ILE HB H 1.7660 . 1 442 44 44 ILE HG12 H 1.5480 . 2 443 44 44 ILE HG13 H 1.1811 . 2 444 44 44 ILE HG2 H 0.8550 . 1 445 44 44 ILE HD1 H 0.7620 . 1 446 44 44 ILE C C 175.1640 . 1 447 44 44 ILE CA C 59.9382 . 1 448 44 44 ILE CB C 37.5070 . 1 449 44 44 ILE CG1 C 27.9360 . 1 450 44 44 ILE CG2 C 18.0960 . 1 451 44 44 ILE CD1 C 11.2090 . 1 452 44 44 ILE N N 123.4160 . 1 453 45 45 PHE H H 9.5760 . 1 454 45 45 PHE HA H 5.0420 . 1 455 45 45 PHE HB2 H 2.7250 . 2 456 45 45 PHE HB3 H 3.1999 . 2 457 45 45 PHE HD1 H 7.0940 . 3 458 45 45 PHE HE1 H 6.8750 . 3 459 45 45 PHE C C 173.6620 . 1 460 45 45 PHE CA C 56.2592 . 1 461 45 45 PHE CB C 43.1500 . 1 462 45 45 PHE CD1 C 132.1250 . 2 463 45 45 PHE CE1 C 128.4000 . 2 464 45 45 PHE N N 127.7910 . 1 465 46 46 SER H H 8.5790 . 1 466 46 46 SER HA H 4.8790 . 1 467 46 46 SER HB2 H 3.8550 . 2 468 46 46 SER HB3 H 3.5600 . 2 469 46 46 SER C C 175.4210 . 1 470 46 46 SER CA C 55.2652 . 1 471 46 46 SER CB C 64.8562 . 1 472 46 46 SER N N 111.7510 . 1 473 47 47 THR H H 9.0320 . 1 474 47 47 THR HA H 4.4630 . 1 475 47 47 THR HB H 4.4430 . 1 476 47 47 THR HG2 H 1.0500 . 1 477 47 47 THR C C 173.5120 . 1 478 47 47 THR CA C 60.0972 . 1 479 47 47 THR CB C 69.0492 . 1 480 47 47 THR CG2 C 23.6067 . 1 481 47 47 THR N N 109.2970 . 1 482 48 48 TYR H H 7.8170 . 1 483 48 48 TYR HA H 4.2730 . 1 484 48 48 TYR HB2 H 2.9770 . 2 485 48 48 TYR HD1 H 7.1690 . 3 486 48 48 TYR C C 174.0440 . 1 487 48 48 TYR CA C 57.6262 . 1 488 48 48 TYR CB C 42.0370 . 1 489 48 48 TYR CD1 C 133.0470 . 2 490 48 48 TYR N N 119.5860 . 1 491 49 49 ALA H H 8.4690 . 1 492 49 49 ALA HA H 4.5700 . 1 493 49 49 ALA HB H 1.4210 . 1 494 49 49 ALA C C 176.2720 . 1 495 49 49 ALA CA C 49.5242 . 1 496 49 49 ALA CB C 22.2500 . 1 497 49 49 ALA N N 121.1870 . 1 498 50 50 ASP H H 8.5720 . 1 499 50 50 ASP HA H 4.3850 . 1 500 50 50 ASP HB2 H 2.5180 . 2 501 50 50 ASP C C 176.7860 . 1 502 50 50 ASP CA C 55.1012 . 1 503 50 50 ASP CB C 40.8650 . 1 504 50 50 ASP N N 119.4220 . 1 505 51 51 ASN H H 9.0290 . 1 506 51 51 ASN HA H 4.2310 . 1 507 51 51 ASN HB2 H 2.9970 . 2 508 51 51 ASN HB3 H 2.8347 . 2 509 51 51 ASN HD21 H 7.4840 . 2 510 51 51 ASN HD22 H 6.7110 . 2 511 51 51 ASN C C 173.9630 . 1 512 51 51 ASN CA C 54.8292 . 1 513 51 51 ASN CB C 36.4070 . 1 514 51 51 ASN N N 115.7860 . 1 515 51 51 ASN ND2 N 113.1750 . 1 516 52 52 GLN H H 7.6870 . 1 517 52 52 GLN HA H 4.4500 . 1 518 52 52 GLN HB2 H 2.6407 . 2 519 52 52 GLN HG2 H 2.3390 . 2 520 52 52 GLN HG3 H 2.3800 . 2 521 52 52 GLN C C 176.6100 . 1 522 52 52 GLN CA C 54.7862 . 1 523 52 52 GLN CB C 30.7110 . 1 524 52 52 GLN CG C 33.5300 . 1 525 52 52 GLN N N 123.8490 . 1 526 53 53 PRO HA H 4.9170 . 1 527 53 53 PRO HB2 H 2.1730 . 2 528 53 53 PRO HG2 H 2.0865 . 2 529 53 53 PRO HG3 H 1.9920 . 2 530 53 53 PRO HD2 H 4.1300 . 2 531 53 53 PRO C C 175.7612 . 1 532 53 53 PRO CA C 64.2625 . 1 533 53 53 PRO CB C 31.9783 . 1 534 53 53 PRO CG C 26.7680 . 1 535 53 53 PRO CD C 51.1000 . 1 536 54 54 GLY H H 7.0763 . 1 537 54 54 GLY HA2 H 4.7840 . 2 538 54 54 GLY HA3 H 4.0337 . 2 539 54 54 GLY C C 172.3025 . 1 540 54 54 GLY CA C 45.3422 . 1 541 54 54 GLY N N 106.2002 . 1 542 55 55 VAL H H 8.6185 . 1 543 55 55 VAL HA H 4.4510 . 1 544 55 55 VAL HB H 1.7900 . 1 545 55 55 VAL HG1 H 0.5980 . 2 546 55 55 VAL HG2 H 0.7010 . 2 547 55 55 VAL C C 172.6292 . 1 548 55 55 VAL CA C 58.8912 . 1 549 55 55 VAL CB C 35.4979 . 1 550 55 55 VAL CG1 C 23.5080 . 2 551 55 55 VAL CG2 C 19.4740 . 2 552 55 55 VAL N N 109.5193 . 1 553 56 56 LEU H H 7.8764 . 1 554 56 56 LEU HA H 4.5000 . 1 555 56 56 LEU HB2 H 1.5708 . 2 556 56 56 LEU HB3 H 1.0400 . 2 557 56 56 LEU HG H 0.6827 . 1 558 56 56 LEU HD1 H 0.6275 . 2 559 56 56 LEU C C 174.6278 . 1 560 56 56 LEU CA C 53.5022 . 1 561 56 56 LEU CB C 42.8958 . 1 562 56 56 LEU CG C 26.1509 . 1 563 56 56 LEU CD1 C 22.8800 . 2 564 56 56 LEU N N 123.7295 . 1 565 57 57 ILE H H 8.8249 . 1 566 57 57 ILE HA H 3.9000 . 1 567 57 57 ILE HB H 0.5004 . 1 568 57 57 ILE HG12 H 0.6138 . 2 569 57 57 ILE HG13 H 0.6550 . 2 570 57 57 ILE HG2 H 0.2860 . 1 571 57 57 ILE HD1 H 0.2000 . 1 572 57 57 ILE C C 173.7721 . 1 573 57 57 ILE CA C 58.8912 . 1 574 57 57 ILE CB C 34.5173 . 1 575 57 57 ILE CG1 C 27.2300 . 1 576 57 57 ILE CG2 C 18.0600 . 1 577 57 57 ILE CD1 C 12.1400 . 1 578 57 57 ILE N N 129.1379 . 1 579 58 58 GLN H H 8.9763 . 1 580 58 58 GLN HA H 4.6130 . 1 581 58 58 GLN HB2 H 1.9200 . 2 582 58 58 GLN HB3 H 2.1450 . 2 583 58 58 GLN HE21 H 7.1862 . 2 584 58 58 GLN C C 173.7335 . 1 585 58 58 GLN CA C 54.8289 . 1 586 58 58 GLN CB C 34.5900 . 1 587 58 58 GLN CG C 36.4756 . 1 588 58 58 GLN N N 125.6677 . 1 589 59 59 VAL H H 8.6200 . 1 590 59 59 VAL HA H 4.6430 . 1 591 59 59 VAL HB H 1.7260 . 1 592 59 59 VAL HG1 H 0.6870 . 2 593 59 59 VAL HG2 H 0.8318 . 2 594 59 59 VAL C C 174.1948 . 1 595 59 59 VAL CA C 61.6840 . 1 596 59 59 VAL CB C 32.4860 . 1 597 59 59 VAL CG1 C 21.1480 . 2 598 59 59 VAL CG2 C 21.2000 . 2 599 59 59 VAL N N 122.7000 . 1 600 60 60 PHE H H 9.1075 . 1 601 60 60 PHE HA H 5.3090 . 1 602 60 60 PHE HB2 H 2.3610 . 2 603 60 60 PHE HB3 H 2.5450 . 2 604 60 60 PHE HD1 H 6.7610 . 3 605 60 60 PHE HE1 H 7.1800 . 3 606 60 60 PHE C C 174.1475 . 1 607 60 60 PHE CA C 56.8086 . 1 608 60 60 PHE CB C 46.3088 . 1 609 60 60 PHE CD1 C 131.4350 . 2 610 60 60 PHE CE1 C 133.0466 . 2 611 60 60 PHE N N 125.8813 . 1 612 61 61 GLU H H 9.0364 . 1 613 61 61 GLU HA H 5.8390 . 1 614 61 61 GLU HB2 H 1.8170 . 2 615 61 61 GLU HB3 H 2.0110 . 2 616 61 61 GLU HG2 H 2.2410 . 2 617 61 61 GLU HG3 H 2.1500 . 2 618 61 61 GLU C C 175.5985 . 1 619 61 61 GLU CA C 52.8106 . 1 620 61 61 GLU CB C 33.5068 . 1 621 61 61 GLU CG C 36.8960 . 1 622 61 61 GLU N N 117.7752 . 1 623 62 62 GLY H H 8.9443 . 1 624 62 62 GLY HA2 H 3.6390 . 2 625 62 62 GLY HA3 H 4.8257 . 2 626 62 62 GLY C C 171.9551 . 1 627 62 62 GLY CA C 43.7498 . 1 628 62 62 GLY N N 111.5362 . 1 629 63 63 GLU H H 8.0472 . 1 630 63 63 GLU HA H 4.5000 . 1 631 63 63 GLU HB2 H 2.3267 . 2 632 63 63 GLU HB3 H 1.5000 . 2 633 63 63 GLU HG2 H 2.2800 . 2 634 63 63 GLU HG3 H 2.1800 . 2 635 63 63 GLU C C 178.5950 . 1 636 63 63 GLU CA C 54.3219 . 1 637 63 63 GLU CB C 31.9783 . 1 638 63 63 GLU CG C 36.1070 . 1 639 63 63 GLU N N 109.8863 . 1 640 64 64 ARG H H 8.5283 . 1 641 64 64 ARG HA H 4.3200 . 1 642 64 64 ARG HB2 H 1.6000 . 2 643 64 64 ARG HB3 H 2.5300 . 2 644 64 64 ARG HG2 H 1.5600 . 2 645 64 64 ARG HG3 H 1.8861 . 2 646 64 64 ARG HD2 H 3.3000 . 2 647 64 64 ARG HD3 H 2.9300 . 2 648 64 64 ARG C C 176.9903 . 1 649 64 64 ARG CA C 53.8270 . 1 650 64 64 ARG CB C 27.5102 . 1 651 64 64 ARG CG C 25.5500 . 1 652 64 64 ARG CD C 39.7250 . 1 653 64 64 ARG N N 119.0041 . 1 654 65 65 ALA H H 7.4891 . 1 655 65 65 ALA HA H 4.1050 . 1 656 65 65 ALA HB H 1.3780 . 1 657 65 65 ALA C C 177.7729 . 1 658 65 65 ALA CA C 54.4647 . 1 659 65 65 ALA CB C 20.2349 . 1 660 65 65 ALA N N 121.7112 . 1 661 66 66 LYS H H 8.6979 . 1 662 66 66 LYS HA H 4.3350 . 1 663 66 66 LYS HB2 H 1.8100 . 2 664 66 66 LYS HB3 H 1.9110 . 2 665 66 66 LYS HG2 H 1.4180 . 2 666 66 66 LYS HD2 H 1.6690 . 2 667 66 66 LYS HE2 H 2.9760 . 2 668 66 66 LYS C C 177.4797 . 1 669 66 66 LYS CA C 53.6740 . 1 670 66 66 LYS CB C 32.1793 . 1 671 66 66 LYS CG C 24.8300 . 1 672 66 66 LYS CD C 29.3280 . 1 673 66 66 LYS CE C 42.0630 . 1 674 66 66 LYS N N 117.1580 . 1 675 67 67 THR H H 7.9460 . 1 676 67 67 THR HA H 2.7813 . 1 677 67 67 THR HB H 2.0202 . 1 678 67 67 THR HG2 H 0.2814 . 1 679 67 67 THR C C 176.9175 . 1 680 67 67 THR CA C 65.3556 . 1 681 67 67 THR CB C 65.1150 . 1 682 67 67 THR CG2 C 23.7889 . 1 683 67 67 THR N N 113.9410 . 1 684 68 68 LYS H H 8.1135 . 1 685 68 68 LYS HA H 4.1150 . 1 686 68 68 LYS HB2 H 1.8170 . 2 687 68 68 LYS HB3 H 1.6500 . 2 688 68 68 LYS HG2 H 1.1820 . 2 689 68 68 LYS HD2 H 1.6900 . 2 690 68 68 LYS HE2 H 2.9400 . 2 691 68 68 LYS HE3 H 2.8000 . 2 692 68 68 LYS C C 176.1270 . 1 693 68 68 LYS CA C 58.0032 . 1 694 68 68 LYS CB C 30.9779 . 1 695 68 68 LYS CG C 23.3470 . 1 696 68 68 LYS CD C 29.3130 . 1 697 68 68 LYS CE C 42.1000 . 1 698 68 68 LYS N N 119.0377 . 1 699 69 69 ASP H H 7.1963 . 1 700 69 69 ASP HA H 4.8110 . 1 701 69 69 ASP HB2 H 2.7590 . 2 702 69 69 ASP HB3 H 2.2870 . 2 703 69 69 ASP C C 174.7749 . 1 704 69 69 ASP CA C 54.4840 . 1 705 69 69 ASP CB C 42.2071 . 1 706 69 69 ASP N N 117.2961 . 1 707 70 70 ASN H H 7.6553 . 1 708 70 70 ASN HA H 5.2370 . 1 709 70 70 ASN HB2 H 3.1190 . 2 710 70 70 ASN HB3 H 2.1420 . 2 711 70 70 ASN HD21 H 6.8019 . 2 712 70 70 ASN HD22 H 7.1764 . 2 713 70 70 ASN C C 172.7899 . 1 714 70 70 ASN CA C 51.5978 . 1 715 70 70 ASN CB C 40.3965 . 1 716 70 70 ASN N N 119.8415 . 1 717 71 71 ASN H H 8.5968 . 1 718 71 71 ASN HA H 5.2410 . 1 719 71 71 ASN HB2 H 2.7570 . 2 720 71 71 ASN HB3 H 2.9980 . 2 721 71 71 ASN HD21 H 6.8620 . 2 722 71 71 ASN HD22 H 8.6020 . 2 723 71 71 ASN C C 173.9923 . 1 724 71 71 ASN CA C 52.8169 . 1 725 71 71 ASN CB C 40.7517 . 1 726 71 71 ASN N N 116.2130 . 1 727 71 71 ASN ND2 N 115.6710 . 1 728 72 72 LEU H H 8.7588 . 1 729 72 72 LEU HA H 3.4220 . 1 730 72 72 LEU HB2 H 1.6030 . 2 731 72 72 LEU HB3 H 1.1690 . 2 732 72 72 LEU HG H 0.9327 . 1 733 72 72 LEU HD1 H 0.1770 . 2 734 72 72 LEU HD2 H 0.6830 . 2 735 72 72 LEU C C 176.4185 . 1 736 72 72 LEU CA C 55.8613 . 1 737 72 72 LEU CB C 41.2127 . 1 738 72 72 LEU CG C 26.5060 . 1 739 72 72 LEU CD1 C 22.8430 . 2 740 72 72 LEU CD2 C 26.5060 . 2 741 72 72 LEU N N 129.5620 . 1 742 73 73 LEU H H 9.3459 . 1 743 73 73 LEU HA H 4.4370 . 1 744 73 73 LEU HB2 H 1.3360 . 2 745 73 73 LEU HG H 1.5670 . 1 746 73 73 LEU HD1 H 0.6660 . 2 747 73 73 LEU C C 177.5059 . 1 748 73 73 LEU CA C 54.5755 . 1 749 73 73 LEU CB C 44.0920 . 1 750 73 73 LEU CG C 25.9570 . 1 751 73 73 LEU CD1 C 22.1430 . 2 752 73 73 LEU N N 126.6855 . 1 753 74 74 GLY H H 7.1256 . 1 754 74 74 GLY HA2 H 3.9630 . 2 755 74 74 GLY HA3 H 3.7840 . 2 756 74 74 GLY C C 169.3178 . 1 757 74 74 GLY CA C 45.2221 . 1 758 74 74 GLY N N 103.8307 . 1 759 75 75 LYS H H 8.5183 . 1 760 75 75 LYS HA H 5.6520 . 1 761 75 75 LYS HB2 H 1.5660 . 2 762 75 75 LYS HG2 H 1.2270 . 2 763 75 75 LYS HD2 H 1.4920 . 2 764 75 75 LYS HE2 H 3.0720 . 2 765 75 75 LYS C C 173.7887 . 1 766 75 75 LYS CA C 54.5566 . 1 767 75 75 LYS CB C 37.0562 . 1 768 75 75 LYS CG C 23.2750 . 1 769 75 75 LYS CD C 30.1470 . 1 770 75 75 LYS CE C 42.2400 . 1 771 75 75 LYS N N 116.1132 . 1 772 76 76 PHE H H 8.7633 . 1 773 76 76 PHE HA H 4.7690 . 1 774 76 76 PHE HB2 H 3.1780 . 2 775 76 76 PHE HB3 H 2.9100 . 2 776 76 76 PHE HD1 H 6.7430 . 3 777 76 76 PHE HE1 H 7.2400 . 3 778 76 76 PHE C C 171.4254 . 1 779 76 76 PHE CA C 56.6710 . 1 780 76 76 PHE CB C 40.1029 . 1 781 76 76 PHE CD1 C 132.3660 . 2 782 76 76 PHE N N 114.8225 . 1 783 77 77 GLU H H 8.9003 . 1 784 77 77 GLU HA H 4.9420 . 1 785 77 77 GLU HB2 H 1.9100 . 2 786 77 77 GLU HB3 H 1.8450 . 2 787 77 77 GLU HG2 H 2.0910 . 2 788 77 77 GLU HG3 H 2.0068 . 2 789 77 77 GLU C C 175.7830 . 1 790 77 77 GLU CA C 54.5750 . 1 791 77 77 GLU CB C 33.1898 . 1 792 77 77 GLU CG C 37.0140 . 1 793 77 77 GLU N N 119.6746 . 1 794 78 78 LEU H H 8.4858 . 1 795 78 78 LEU HA H 4.8600 . 1 796 78 78 LEU HB2 H 1.7740 . 2 797 78 78 LEU HB3 H 0.9670 . 2 798 78 78 LEU HG H 1.3780 . 1 799 78 78 LEU HD1 H 0.6860 . 2 800 78 78 LEU HD2 H 0.8300 . 2 801 78 78 LEU C C 174.3865 . 1 802 78 78 LEU CA C 54.4593 . 1 803 78 78 LEU CB C 44.4192 . 1 804 78 78 LEU CG C 27.4380 . 1 805 78 78 LEU CD1 C 26.1140 . 2 806 78 78 LEU CD2 C 24.0320 . 2 807 78 78 LEU N N 125.1523 . 1 808 79 79 SER H H 8.5971 . 1 809 79 79 SER HA H 5.1290 . 1 810 79 79 SER HB2 H 3.8560 . 2 811 79 79 SER HB3 H 3.7940 . 2 812 79 79 SER C C 173.3932 . 1 813 79 79 SER CA C 56.8591 . 1 814 79 79 SER CB C 65.1574 . 1 815 79 79 SER N N 121.3413 . 1 816 80 80 GLY H H 8.1734 . 1 817 80 80 GLY HA2 H 4.0650 . 2 818 80 80 GLY HA3 H 3.7600 . 2 819 80 80 GLY C C 175.3924 . 1 820 80 80 GLY CA C 45.9837 . 1 821 80 80 GLY N N 107.9387 . 1 822 81 81 ILE H H 8.1889 . 1 823 81 81 ILE HA H 3.9100 . 1 824 81 81 ILE HB H 1.8630 . 1 825 81 81 ILE HG12 H 1.4300 . 2 826 81 81 ILE HG13 H 0.7400 . 2 827 81 81 ILE HG2 H 0.8730 . 1 828 81 81 ILE HD1 H 0.5740 . 1 829 81 81 ILE C C 174.0957 . 1 830 81 81 ILE CA C 59.6765 . 1 831 81 81 ILE CB C 37.8039 . 1 832 81 81 ILE CG1 C 27.5020 . 1 833 81 81 ILE CG2 C 16.4300 . 1 834 81 81 ILE CD1 C 13.3100 . 1 835 81 81 ILE N N 122.0714 . 1 836 82 82 PRO HA H 4.5512 . 1 837 82 82 PRO HB2 H 1.8060 . 2 838 82 82 PRO HB3 H 2.3314 . 2 839 82 82 PRO HG2 H 2.0759 . 2 840 82 82 PRO HG3 H 1.8888 . 2 841 82 82 PRO HD2 H 3.4979 . 2 842 82 82 PRO HD3 H 4.1267 . 2 843 82 82 PRO CA C 61.7870 . 1 844 82 82 PRO CB C 30.6617 . 1 845 82 82 PRO CG C 27.9232 . 1 846 82 82 PRO CD C 51.1483 . 1 847 83 83 PRO HA H 4.2130 . 1 848 83 83 PRO HB2 H 1.8750 . 2 849 83 83 PRO HB3 H 2.0880 . 2 850 83 83 PRO HG2 H 2.0730 . 2 851 83 83 PRO HG3 H 1.9554 . 2 852 83 83 PRO HD2 H 3.6030 . 2 853 83 83 PRO HD3 H 3.7090 . 2 854 83 83 PRO CA C 64.3000 . 1 855 83 83 PRO CB C 31.7260 . 1 856 83 83 PRO CG C 27.5750 . 1 857 83 83 PRO CD C 50.7500 . 1 858 84 84 ALA H H 7.8930 . 1 859 84 84 ALA HA H 4.3210 . 1 860 84 84 ALA HB H 1.3180 . 1 861 84 84 ALA CA C 50.6082 . 1 862 84 84 ALA CB C 19.8500 . 1 863 84 84 ALA N N 127.1600 . 1 864 85 85 PRO HA H 4.3765 . 1 865 85 85 PRO HB2 H 2.4100 . 2 866 85 85 PRO HB3 H 1.7650 . 2 867 85 85 PRO HG2 H 1.9920 . 2 868 85 85 PRO C C 174.6670 . 1 869 85 85 PRO CA C 62.6730 . 1 870 85 85 PRO CB C 32.0470 . 1 871 85 85 PRO CG C 27.5450 . 1 872 85 85 PRO CD C 51.0300 . 1 873 86 86 ARG H H 9.1480 . 1 874 86 86 ARG HA H 3.8000 . 1 875 86 86 ARG HB2 H 1.4850 . 2 876 86 86 ARG HB3 H 1.2440 . 2 877 86 86 ARG HG2 H 1.3260 . 2 878 86 86 ARG HG3 H 1.5096 . 2 879 86 86 ARG HD2 H 2.9530 . 2 880 86 86 ARG HD3 H 2.9940 . 2 881 86 86 ARG HE H 7.0007 . 1 882 86 86 ARG C C 176.6720 . 1 883 86 86 ARG CA C 55.8492 . 1 884 86 86 ARG CB C 29.8000 . 1 885 86 86 ARG CG C 25.5510 . 1 886 86 86 ARG CD C 44.0000 . 1 887 86 86 ARG N N 120.9660 . 1 888 86 86 ARG NE N 85.7251 . 1 889 87 87 GLY H H 7.6800 . 1 890 87 87 GLY HA2 H 3.8130 . 2 891 87 87 GLY HA3 H 4.0760 . 2 892 87 87 GLY C C 175.1940 . 1 893 87 87 GLY CA C 46.3660 . 1 894 87 87 GLY N N 110.8930 . 1 895 88 88 VAL H H 7.5800 . 1 896 88 88 VAL HA H 4.0990 . 1 897 88 88 VAL HB H 2.3130 . 1 898 88 88 VAL HG1 H 0.8430 . 2 899 88 88 VAL HG2 H 0.9080 . 2 900 88 88 VAL C C 174.4930 . 1 901 88 88 VAL CA C 65.9620 . 1 902 88 88 VAL CB C 29.8000 . 1 903 88 88 VAL CG1 C 23.5120 . 2 904 88 88 VAL CG2 C 20.9420 . 2 905 88 88 VAL N N 118.6690 . 1 906 89 89 PRO HA H 4.4790 . 1 907 89 89 PRO HB2 H 1.5000 . 2 908 89 89 PRO HB3 H 2.3093 . 2 909 89 89 PRO HG2 H 1.9469 . 2 910 89 89 PRO HG3 H 2.1087 . 2 911 89 89 PRO HD2 H 3.9299 . 2 912 89 89 PRO C C 176.4149 . 1 913 89 89 PRO CA C 64.2691 . 1 914 89 89 PRO CB C 31.7244 . 1 915 89 89 PRO CG C 28.9000 . 1 916 89 89 PRO CD C 50.1082 . 1 917 90 90 GLN H H 9.5941 . 1 918 90 90 GLN HA H 4.7130 . 1 919 90 90 GLN HB2 H 1.8222 . 2 920 90 90 GLN HB3 H 2.1580 . 2 921 90 90 GLN HG2 H 2.3868 . 2 922 90 90 GLN HG3 H 2.3341 . 2 923 90 90 GLN HE21 H 7.3345 . 2 924 90 90 GLN HE22 H 6.7813 . 2 925 90 90 GLN C C 173.2986 . 1 926 90 90 GLN CA C 54.7554 . 1 927 90 90 GLN CB C 30.6684 . 1 928 90 90 GLN CG C 33.6000 . 1 929 90 90 GLN N N 123.7585 . 1 930 90 90 GLN NE2 N 112.6321 . 1 931 91 91 ILE H H 9.2180 . 1 932 91 91 ILE HA H 4.9200 . 1 933 91 91 ILE HB H 1.7630 . 1 934 91 91 ILE HG12 H 1.3758 . 2 935 91 91 ILE HG13 H 0.9631 . 2 936 91 91 ILE HG2 H 0.5460 . 1 937 91 91 ILE HD1 H 0.7280 . 1 938 91 91 ILE C C 175.0687 . 1 939 91 91 ILE CA C 59.1148 . 1 940 91 91 ILE CB C 39.0874 . 1 941 91 91 ILE CG1 C 28.1000 . 1 942 91 91 ILE CG2 C 18.4119 . 1 943 91 91 ILE CD1 C 14.9130 . 1 944 91 91 ILE N N 124.9787 . 1 945 92 92 GLU H H 9.3864 . 1 946 92 92 GLU HA H 4.9236 . 1 947 92 92 GLU HB2 H 1.6970 . 2 948 92 92 GLU HB3 H 2.2150 . 2 949 92 92 GLU HG2 H 1.9370 . 2 950 92 92 GLU C C 176.3676 . 1 951 92 92 GLU CA C 55.8913 . 1 952 92 92 GLU CB C 32.2322 . 1 953 92 92 GLU CG C 36.8690 . 1 954 92 92 GLU N N 129.4307 . 1 955 93 93 VAL H H 9.5137 . 1 956 93 93 VAL HA H 5.2420 . 1 957 93 93 VAL HB H 2.2124 . 1 958 93 93 VAL HG1 H 0.7690 . 2 959 93 93 VAL HG2 H 0.9839 . 2 960 93 93 VAL C C 174.5540 . 1 961 93 93 VAL CA C 61.4146 . 1 962 93 93 VAL CB C 33.3248 . 1 963 93 93 VAL CG1 C 21.8610 . 2 964 93 93 VAL CG2 C 20.7880 . 2 965 93 93 VAL N N 133.8594 . 1 966 94 94 THR H H 9.1500 . 1 967 94 94 THR HA H 5.2720 . 1 968 94 94 THR HB H 3.9770 . 1 969 94 94 THR HG2 H 1.0809 . 1 970 94 94 THR C C 173.6327 . 1 971 94 94 THR CA C 61.7200 . 1 972 94 94 THR CB C 71.1000 . 1 973 94 94 THR CG2 C 21.4810 . 1 974 94 94 THR N N 122.3282 . 1 975 95 95 PHE H H 9.6756 . 1 976 95 95 PHE HA H 5.0360 . 1 977 95 95 PHE HB2 H 2.6420 . 2 978 95 95 PHE HB3 H 3.2440 . 2 979 95 95 PHE HD1 H 7.0982 . 3 980 95 95 PHE HE1 H 7.0982 . 3 981 95 95 PHE C C 172.8308 . 1 982 95 95 PHE CA C 55.8850 . 1 983 95 95 PHE CB C 41.1643 . 1 984 95 95 PHE CD1 C 130.5140 . 2 985 95 95 PHE N N 128.6864 . 1 986 96 96 ASP H H 8.7227 . 1 987 96 96 ASP HA H 5.2480 . 1 988 96 96 ASP HB2 H 2.9000 . 2 989 96 96 ASP HB3 H 2.3231 . 2 990 96 96 ASP C C 174.6338 . 1 991 96 96 ASP CA C 53.2779 . 1 992 96 96 ASP CB C 44.6744 . 1 993 96 96 ASP N N 123.9889 . 1 994 97 97 VAL H H 9.0900 . 1 995 97 97 VAL HA H 5.0920 . 1 996 97 97 VAL HB H 1.9010 . 1 997 97 97 VAL HG1 H 1.0400 . 2 998 97 97 VAL C C 176.0638 . 1 999 97 97 VAL CA C 60.7000 . 1 1000 97 97 VAL CB C 33.9377 . 1 1001 97 97 VAL CG1 C 21.8690 . 2 1002 97 97 VAL N N 126.3596 . 1 1003 98 98 ASP H H 8.3539 . 1 1004 98 98 ASP HA H 4.8260 . 1 1005 98 98 ASP HB2 H 3.2774 . 2 1006 98 98 ASP HB3 H 2.8630 . 2 1007 98 98 ASP C C 177.4816 . 1 1008 98 98 ASP CA C 52.8322 . 1 1009 98 98 ASP CB C 41.6266 . 1 1010 98 98 ASP N N 128.6874 . 1 1011 99 99 SER H H 8.4864 . 1 1012 99 99 SER HA H 3.8570 . 1 1013 99 99 SER HB2 H 3.9410 . 2 1014 99 99 SER HB3 H 3.8030 . 2 1015 99 99 SER C C 174.3812 . 1 1016 99 99 SER CA C 61.1615 . 1 1017 99 99 SER CB C 62.9647 . 1 1018 99 99 SER N N 111.2676 . 1 1019 100 100 ASN H H 8.2852 . 1 1020 100 100 ASN HA H 4.8700 . 1 1021 100 100 ASN HB2 H 2.9260 . 2 1022 100 100 ASN HB3 H 2.8320 . 2 1023 100 100 ASN HD21 H 6.8900 . 2 1024 100 100 ASN HD22 H 7.8180 . 2 1025 100 100 ASN C C 175.4174 . 1 1026 100 100 ASN CA C 52.9903 . 1 1027 100 100 ASN CB C 39.7775 . 1 1028 100 100 ASN N N 118.0396 . 1 1029 100 100 ASN ND2 N 114.7890 . 1 1030 101 101 GLY H H 8.1835 . 1 1031 101 101 GLY HA2 H 3.3720 . 2 1032 101 101 GLY HA3 H 4.1120 . 2 1033 101 101 GLY C C 174.0639 . 1 1034 101 101 GLY CA C 45.7097 . 1 1035 101 101 GLY N N 108.5677 . 1 1036 102 102 ILE H H 8.3218 . 1 1037 102 102 ILE HA H 3.7600 . 1 1038 102 102 ILE HB H 2.0460 . 1 1039 102 102 ILE HG12 H 1.4530 . 2 1040 102 102 ILE HG13 H 1.1050 . 2 1041 102 102 ILE HG2 H 0.6340 . 1 1042 102 102 ILE HD1 H 0.8130 . 1 1043 102 102 ILE C C 174.9087 . 1 1044 102 102 ILE CA C 62.2593 . 1 1045 102 102 ILE CB C 35.7867 . 1 1046 102 102 ILE CG1 C 28.5880 . 1 1047 102 102 ILE CG2 C 17.7420 . 1 1048 102 102 ILE CD1 C 11.9290 . 1 1049 102 102 ILE N N 123.7604 . 1 1050 103 103 LEU H H 8.2023 . 1 1051 103 103 LEU HA H 5.0910 . 1 1052 103 103 LEU HB2 H 1.7360 . 2 1053 103 103 LEU HB3 H 1.3940 . 2 1054 103 103 LEU HD1 H 0.5860 . 2 1055 103 103 LEU HD2 H 0.5530 . 2 1056 103 103 LEU C C 173.7166 . 1 1057 103 103 LEU CA C 53.2803 . 1 1058 103 103 LEU CB C 43.9814 . 1 1059 103 103 LEU CD1 C 23.6400 . 2 1060 103 103 LEU CD2 C 26.5000 . 2 1061 103 103 LEU N N 130.2973 . 1 1062 104 104 ASN H H 9.4183 . 1 1063 104 104 ASN HA H 5.3370 . 1 1064 104 104 ASN HB2 H 2.7510 . 2 1065 104 104 ASN HB3 H 2.4050 . 2 1066 104 104 ASN HD21 H 8.0530 . 2 1067 104 104 ASN HD22 H 6.8920 . 2 1068 104 104 ASN C C 174.6711 . 1 1069 104 104 ASN CA C 52.5980 . 1 1070 104 104 ASN CB C 42.0081 . 1 1071 104 104 ASN N N 126.5897 . 1 1072 104 104 ASN ND2 N 116.7730 . 1 1073 105 105 VAL H H 8.6998 . 1 1074 105 105 VAL HA H 5.1020 . 1 1075 105 105 VAL HB H 1.6800 . 1 1076 105 105 VAL HG1 H 0.7600 . 2 1077 105 105 VAL HG2 H 0.0240 . 2 1078 105 105 VAL C C 173.6269 . 1 1079 105 105 VAL CA C 60.4026 . 1 1080 105 105 VAL CB C 33.5017 . 1 1081 105 105 VAL CG1 C 21.4833 . 2 1082 105 105 VAL CG2 C 19.4000 . 2 1083 105 105 VAL N N 125.3289 . 1 1084 106 106 SER H H 8.8846 . 1 1085 106 106 SER HA H 5.2580 . 1 1086 106 106 SER HB2 H 3.7014 . 2 1087 106 106 SER HB3 H 3.8260 . 2 1088 106 106 SER C C 172.8297 . 1 1089 106 106 SER CA C 55.9264 . 1 1090 106 106 SER CB C 67.0000 . 1 1091 106 106 SER N N 118.9100 . 1 1092 107 107 ALA H H 8.9024 . 1 1093 107 107 ALA HA H 5.6990 . 1 1094 107 107 ALA HB H 1.2210 . 1 1095 107 107 ALA C C 174.8296 . 1 1096 107 107 ALA CA C 50.5264 . 1 1097 107 107 ALA CB C 23.2730 . 1 1098 107 107 ALA N N 122.8609 . 1 1099 108 108 VAL H H 8.4845 . 1 1100 108 108 VAL HA H 4.8750 . 1 1101 108 108 VAL HB H 1.9500 . 1 1102 108 108 VAL HG1 H 0.8510 . 2 1103 108 108 VAL HG2 H 0.7890 . 2 1104 108 108 VAL C C 174.3375 . 1 1105 108 108 VAL CA C 59.6797 . 1 1106 108 108 VAL CB C 36.3347 . 1 1107 108 108 VAL CG1 C 20.9980 . 2 1108 108 108 VAL CG2 C 20.2170 . 2 1109 108 108 VAL N N 120.3160 . 1 1110 109 109 GLU H H 9.0977 . 1 1111 109 109 GLU HA H 4.8700 . 1 1112 109 109 GLU HB2 H 1.6460 . 2 1113 109 109 GLU HB3 H 2.4300 . 2 1114 109 109 GLU HG2 H 2.3742 . 2 1115 109 109 GLU HG3 H 2.1110 . 2 1116 109 109 GLU C C 176.6910 . 1 1117 109 109 GLU CA C 55.8682 . 1 1118 109 109 GLU CB C 29.8500 . 1 1119 109 109 GLU CG C 37.7000 . 1 1120 109 109 GLU N N 130.5914 . 1 1121 110 110 LYS H H 8.7611 . 1 1122 110 110 LYS HA H 3.8960 . 1 1123 110 110 LYS HB2 H 1.8900 . 2 1124 110 110 LYS HG2 H 1.4280 . 2 1125 110 110 LYS HG3 H 1.6028 . 2 1126 110 110 LYS HD2 H 1.6300 . 2 1127 110 110 LYS HE2 H 2.9100 . 2 1128 110 110 LYS C C 178.2879 . 1 1129 110 110 LYS CA C 59.1064 . 1 1130 110 110 LYS CB C 31.8959 . 1 1131 110 110 LYS CG C 24.6580 . 1 1132 110 110 LYS CD C 27.7838 . 1 1133 110 110 LYS CE C 41.9030 . 1 1134 110 110 LYS N N 125.4744 . 1 1135 111 111 GLY H H 8.7322 . 1 1136 111 111 GLY HA2 H 4.0570 . 2 1137 111 111 GLY HA3 H 3.9010 . 2 1138 111 111 GLY C C 175.9946 . 1 1139 111 111 GLY CA C 47.1109 . 1 1140 111 111 GLY N N 109.6269 . 1 1141 112 112 THR H H 9.2824 . 1 1142 112 112 THR HA H 4.4800 . 1 1143 112 112 THR HB H 4.2840 . 1 1144 112 112 THR HG2 H 1.3000 . 1 1145 112 112 THR C C 177.1152 . 1 1146 112 112 THR CA C 62.2593 . 1 1147 112 112 THR CB C 71.5440 . 1 1148 112 112 THR CG2 C 22.1920 . 1 1149 112 112 THR N N 110.9914 . 1 1150 113 113 GLY H H 8.4734 . 1 1151 113 113 GLY HA2 H 3.6030 . 2 1152 113 113 GLY HA3 H 4.1170 . 2 1153 113 113 GLY C C 174.6065 . 1 1154 113 113 GLY CA C 45.8432 . 1 1155 113 113 GLY N N 112.6729 . 1 1156 114 114 LYS H H 8.0727 . 1 1157 114 114 LYS HA H 4.2000 . 1 1158 114 114 LYS HB2 H 1.8610 . 2 1159 114 114 LYS HG2 H 1.6340 . 2 1160 114 114 LYS HG3 H 1.4500 . 2 1161 114 114 LYS HD2 H 1.6990 . 2 1162 114 114 LYS HE2 H 3.0740 . 2 1163 114 114 LYS C C 175.1979 . 1 1164 114 114 LYS CA C 57.6642 . 1 1165 114 114 LYS CB C 32.6438 . 1 1166 114 114 LYS CG C 25.5320 . 1 1167 114 114 LYS CD C 29.2270 . 1 1168 114 114 LYS CE C 42.2070 . 1 1169 114 114 LYS N N 122.8088 . 1 1170 115 115 SER H H 8.3643 . 1 1171 115 115 SER HA H 5.8730 . 1 1172 115 115 SER HB2 H 3.9050 . 2 1173 115 115 SER HB3 H 3.7400 . 2 1174 115 115 SER C C 174.0917 . 1 1175 115 115 SER CA C 56.7251 . 1 1176 115 115 SER CB C 68.4868 . 1 1177 115 115 SER N N 114.8734 . 1 1178 116 116 ASN H H 8.7368 . 1 1179 116 116 ASN HA H 4.9320 . 1 1180 116 116 ASN HB2 H 3.1420 . 2 1181 116 116 ASN HB3 H 2.6980 . 2 1182 116 116 ASN HD21 H 7.2540 . 2 1183 116 116 ASN HD22 H 8.1350 . 2 1184 116 116 ASN C C 171.7640 . 1 1185 116 116 ASN CA C 51.7359 . 1 1186 116 116 ASN CB C 40.8057 . 1 1187 116 116 ASN N N 116.2891 . 1 1188 116 116 ASN ND2 N 110.3590 . 1 1189 117 117 LYS H H 7.9803 . 1 1190 117 117 LYS HA H 4.7160 . 1 1191 117 117 LYS HB2 H 1.5780 . 2 1192 117 117 LYS HG2 H 0.9820 . 2 1193 117 117 LYS HG3 H 1.1286 . 2 1194 117 117 LYS HD2 H 1.4230 . 2 1195 117 117 LYS HE2 H 2.7550 . 2 1196 117 117 LYS C C 173.6128 . 1 1197 117 117 LYS CA C 54.9498 . 1 1198 117 117 LYS CB C 35.1069 . 1 1199 117 117 LYS CG C 22.6880 . 1 1200 117 117 LYS CD C 29.3790 . 1 1201 117 117 LYS CE C 42.0180 . 1 1202 117 117 LYS N N 118.1919 . 1 1203 118 118 ILE H H 8.4253 . 1 1204 118 118 ILE HA H 4.3780 . 1 1205 118 118 ILE HB H 1.4910 . 1 1206 118 118 ILE HG12 H 1.3612 . 2 1207 118 118 ILE HG2 H 0.6340 . 1 1208 118 118 ILE HD1 H 0.7600 . 1 1209 118 118 ILE C C 172.6253 . 1 1210 118 118 ILE CA C 60.3963 . 1 1211 118 118 ILE CB C 42.7020 . 1 1212 118 118 ILE CG1 C 26.8870 . 1 1213 118 118 ILE CG2 C 17.0240 . 1 1214 118 118 ILE CD1 C 14.2000 . 1 1215 118 118 ILE N N 115.9550 . 1 1216 119 119 THR H H 8.2857 . 1 1217 119 119 THR HA H 4.8280 . 1 1218 119 119 THR HB H 3.6490 . 1 1219 119 119 THR HG2 H 0.9740 . 1 1220 119 119 THR C C 173.6751 . 1 1221 119 119 THR CA C 61.9614 . 1 1222 119 119 THR CB C 70.5704 . 1 1223 119 119 THR CG2 C 22.0770 . 1 1224 119 119 THR N N 121.4512 . 1 1225 120 120 ILE H H 9.6088 . 1 1226 120 120 ILE HA H 4.2900 . 1 1227 120 120 ILE HB H 1.7770 . 1 1228 120 120 ILE HG12 H 0.9630 . 2 1229 120 120 ILE HG13 H 1.2412 . 2 1230 120 120 ILE HG2 H 0.9120 . 1 1231 120 120 ILE HD1 H 0.5060 . 1 1232 120 120 ILE C C 175.0337 . 1 1233 120 120 ILE CA C 60.0021 . 1 1234 120 120 ILE CB C 39.5951 . 1 1235 120 120 ILE CG1 C 27.4200 . 1 1236 120 120 ILE CG2 C 17.9280 . 1 1237 120 120 ILE CD1 C 13.5600 . 1 1238 120 120 ILE N N 130.2244 . 1 1239 121 121 THR H H 8.4900 . 1 1240 121 121 THR HA H 4.2830 . 1 1241 121 121 THR HB H 4.2830 . 1 1242 121 121 THR HG2 H 1.1740 . 1 1243 121 121 THR C C 173.7417 . 1 1244 121 121 THR CA C 61.6518 . 1 1245 121 121 THR CB C 69.2064 . 1 1246 121 121 THR CG2 C 21.7510 . 1 1247 121 121 THR N N 120.1230 . 1 1248 122 122 ASN H H 8.4213 . 1 1249 122 122 ASN HA H 4.8070 . 1 1250 122 122 ASN HB2 H 2.6260 . 2 1251 122 122 ASN HB3 H 2.7660 . 2 1252 122 122 ASN HD21 H 7.6120 . 2 1253 122 122 ASN HD22 H 6.8010 . 2 1254 122 122 ASN C C 174.7333 . 1 1255 122 122 ASN CA C 52.6757 . 1 1256 122 122 ASN CB C 38.9062 . 1 1257 122 122 ASN N N 120.1404 . 1 1258 122 122 ASN ND2 N 111.5820 . 1 1259 123 123 ASP H H 8.2966 . 1 1260 123 123 ASP HA H 4.5310 . 1 1261 123 123 ASP HB2 H 2.6450 . 2 1262 123 123 ASP C C 176.5673 . 1 1263 123 123 ASP CA C 54.5470 . 1 1264 123 123 ASP CB C 41.2807 . 1 1265 123 123 ASP N N 120.6252 . 1 1266 124 124 LYS H H 8.2688 . 1 1267 124 124 LYS HA H 4.2610 . 1 1268 124 124 LYS HB2 H 1.7760 . 2 1269 124 124 LYS HB3 H 1.8490 . 2 1270 124 124 LYS HG2 H 1.4210 . 2 1271 124 124 LYS HD2 H 1.6630 . 2 1272 124 124 LYS HE2 H 2.9770 . 2 1273 124 124 LYS C C 177.1454 . 1 1274 124 124 LYS CA C 57.1477 . 1 1275 124 124 LYS CB C 32.7891 . 1 1276 124 124 LYS CG C 24.6120 . 1 1277 124 124 LYS CD C 29.0610 . 1 1278 124 124 LYS CE C 42.2370 . 1 1279 124 124 LYS N N 121.3456 . 1 1280 125 125 GLY H H 8.5757 . 1 1281 125 125 GLY HA2 H 3.8910 . 2 1282 125 125 GLY C C 174.3848 . 1 1283 125 125 GLY CA C 45.4585 . 1 1284 125 125 GLY N N 109.3788 . 1 1285 126 126 ARG H H 7.6957 . 1 1286 126 126 ARG HA H 4.2690 . 1 1287 126 126 ARG HB2 H 1.8440 . 2 1288 126 126 ARG HB3 H 1.9360 . 2 1289 126 126 ARG HG2 H 1.6280 . 2 1290 126 126 ARG HG3 H 1.5100 . 2 1291 126 126 ARG HD2 H 3.1730 . 2 1292 126 126 ARG HE H 7.4162 . 1 1293 126 126 ARG C C 176.5970 . 1 1294 126 126 ARG CA C 56.0797 . 1 1295 126 126 ARG CB C 30.4987 . 1 1296 126 126 ARG CG C 27.1000 . 1 1297 126 126 ARG CD C 42.4500 . 1 1298 126 126 ARG N N 119.6475 . 1 1299 126 126 ARG NE N 83.2062 . 1 1300 127 127 LEU HA H 4.5560 . 1 1301 127 127 LEU HB2 H 1.6540 . 2 1302 127 127 LEU HB3 H 1.4300 . 2 1303 127 127 LEU HD1 H 0.8440 . 2 1304 127 127 LEU HD2 H 0.8470 . 2 1305 127 127 LEU C C 176.9618 . 1 1306 127 127 LEU CA C 54.3486 . 1 1307 127 127 LEU CB C 43.3990 . 1 1308 127 127 LEU CD1 C 23.2000 . 2 1309 127 127 LEU CD2 C 26.0200 . 2 1310 128 128 SER H H 9.1316 . 1 1311 128 128 SER HA H 4.5160 . 1 1312 128 128 SER HB2 H 4.3400 . 2 1313 128 128 SER C C 174.6713 . 1 1314 128 128 SER CA C 56.8448 . 1 1315 128 128 SER CB C 65.7730 . 1 1316 128 128 SER N N 118.8817 . 1 1317 129 129 LYS H H 8.8571 . 1 1318 129 129 LYS HA H 3.9510 . 1 1319 129 129 LYS HB2 H 1.9060 . 2 1320 129 129 LYS HB3 H 1.8000 . 2 1321 129 129 LYS HG2 H 1.4100 . 2 1322 129 129 LYS HG3 H 1.5032 . 2 1323 129 129 LYS HD2 H 1.6880 . 2 1324 129 129 LYS HE2 H 2.9820 . 2 1325 129 129 LYS C C 178.7720 . 1 1326 129 129 LYS CA C 60.1380 . 1 1327 129 129 LYS CB C 32.3003 . 1 1328 129 129 LYS CG C 24.7210 . 1 1329 129 129 LYS CD C 29.2880 . 1 1330 129 129 LYS CE C 42.2040 . 1 1331 129 129 LYS N N 121.3042 . 1 1332 130 130 GLU H H 8.6893 . 1 1333 130 130 GLU HA H 4.0630 . 1 1334 130 130 GLU HB2 H 2.0400 . 2 1335 130 130 GLU HB3 H 1.9246 . 2 1336 130 130 GLU HG2 H 2.2710 . 2 1337 130 130 GLU HG3 H 2.3930 . 2 1338 130 130 GLU C C 179.0676 . 1 1339 130 130 GLU CA C 60.1109 . 1 1340 130 130 GLU CB C 29.1530 . 1 1341 130 130 GLU CG C 37.2270 . 1 1342 130 130 GLU N N 118.3484 . 1 1343 131 131 ASP H H 7.9106 . 1 1344 131 131 ASP HA H 4.4680 . 1 1345 131 131 ASP HB2 H 2.9940 . 2 1346 131 131 ASP HB3 H 2.6300 . 2 1347 131 131 ASP C C 179.3967 . 1 1348 131 131 ASP CA C 57.4044 . 1 1349 131 131 ASP CB C 41.1185 . 1 1350 131 131 ASP N N 121.6761 . 1 1351 132 132 ILE H H 8.3070 . 1 1352 132 132 ILE HA H 3.6170 . 1 1353 132 132 ILE HB H 1.9660 . 1 1354 132 132 ILE HG12 H 1.7290 . 2 1355 132 132 ILE HG13 H 0.8900 . 2 1356 132 132 ILE HG2 H 0.8890 . 1 1357 132 132 ILE HD1 H 0.7880 . 1 1358 132 132 ILE C C 177.5244 . 1 1359 132 132 ILE CA C 65.7750 . 1 1360 132 132 ILE CB C 38.3257 . 1 1361 132 132 ILE CG1 C 29.7450 . 1 1362 132 132 ILE CG2 C 17.1310 . 1 1363 132 132 ILE CD1 C 13.6400 . 1 1364 132 132 ILE N N 122.5876 . 1 1365 133 133 GLU H H 8.1267 . 1 1366 133 133 GLU HA H 4.1270 . 1 1367 133 133 GLU HB2 H 2.0660 . 2 1368 133 133 GLU HG2 H 2.2570 . 2 1369 133 133 GLU C C 179.9668 . 1 1370 133 133 GLU CA C 59.7268 . 1 1371 133 133 GLU CB C 29.4199 . 1 1372 133 133 GLU CG C 36.5410 . 1 1373 133 133 GLU N N 118.1774 . 1 1374 134 134 LYS H H 7.8818 . 1 1375 134 134 LYS HA H 4.1350 . 1 1376 134 134 LYS HB2 H 1.9950 . 2 1377 134 134 LYS HG2 H 1.4340 . 2 1378 134 134 LYS HG3 H 1.6240 . 2 1379 134 134 LYS HD2 H 1.7270 . 2 1380 134 134 LYS HE2 H 2.9870 . 2 1381 134 134 LYS C C 178.7397 . 1 1382 134 134 LYS CA C 59.6311 . 1 1383 134 134 LYS CB C 32.5364 . 1 1384 134 134 LYS CG C 25.0380 . 1 1385 134 134 LYS CD C 29.5000 . 1 1386 134 134 LYS CE C 42.1610 . 1 1387 134 134 LYS N N 119.7449 . 1 1388 135 135 MET H H 8.0239 . 1 1389 135 135 MET HA H 4.2370 . 1 1390 135 135 MET HB2 H 2.3300 . 2 1391 135 135 MET HB3 H 2.3816 . 2 1392 135 135 MET HG2 H 2.6360 . 2 1393 135 135 MET HG3 H 2.7380 . 2 1394 135 135 MET HE H 2.2900 . 1 1395 135 135 MET C C 179.4333 . 1 1396 135 135 MET CA C 59.1206 . 1 1397 135 135 MET CB C 32.7400 . 1 1398 135 135 MET CG C 32.8490 . 1 1399 135 135 MET CE C 17.6588 . 1 1400 135 135 MET N N 120.1622 . 1 1401 136 136 VAL H H 8.5825 . 1 1402 136 136 VAL HA H 3.4500 . 1 1403 136 136 VAL HB H 2.0940 . 1 1404 136 136 VAL HG1 H 0.9850 . 2 1405 136 136 VAL HG2 H 0.9100 . 2 1406 136 136 VAL C C 178.1991 . 1 1407 136 136 VAL CA C 67.0325 . 1 1408 136 136 VAL CB C 31.8983 . 1 1409 136 136 VAL CG1 C 22.7860 . 2 1410 136 136 VAL CG2 C 20.9030 . 2 1411 136 136 VAL N N 121.1953 . 1 1412 137 137 ALA H H 8.0807 . 1 1413 137 137 ALA HA H 4.2090 . 1 1414 137 137 ALA HB H 1.5270 . 1 1415 137 137 ALA C C 181.4081 . 1 1416 137 137 ALA CA C 55.0301 . 1 1417 137 137 ALA CB C 18.0567 . 1 1418 137 137 ALA N N 122.1363 . 1 1419 138 138 GLU H H 8.4758 . 1 1420 138 138 GLU HA H 4.0550 . 1 1421 138 138 GLU HB2 H 2.1630 . 2 1422 138 138 GLU HB3 H 2.3020 . 2 1423 138 138 GLU HG2 H 2.3680 . 2 1424 138 138 GLU HG3 H 2.5640 . 2 1425 138 138 GLU C C 178.1163 . 1 1426 138 138 GLU CA C 59.4849 . 1 1427 138 138 GLU CB C 30.0378 . 1 1428 138 138 GLU CG C 37.4150 . 1 1429 138 138 GLU N N 119.9029 . 1 1430 139 139 ALA H H 7.9904 . 1 1431 139 139 ALA HA H 4.0190 . 1 1432 139 139 ALA HB H 1.5030 . 1 1433 139 139 ALA C C 180.1787 . 1 1434 139 139 ALA CA C 55.2279 . 1 1435 139 139 ALA CB C 18.5455 . 1 1436 139 139 ALA N N 120.2088 . 1 1437 140 140 GLU H H 7.7423 . 1 1438 140 140 GLU HA H 4.0790 . 1 1439 140 140 GLU HB2 H 2.1480 . 2 1440 140 140 GLU HB3 H 2.0650 . 2 1441 140 140 GLU HG2 H 2.2800 . 2 1442 140 140 GLU HG3 H 2.3750 . 2 1443 140 140 GLU C C 179.0411 . 1 1444 140 140 GLU CA C 58.8797 . 1 1445 140 140 GLU CB C 29.3942 . 1 1446 140 140 GLU CG C 36.5450 . 1 1447 140 140 GLU N N 117.1186 . 1 1448 141 141 LYS H H 7.7952 . 1 1449 141 141 LYS HA H 3.9500 . 1 1450 141 141 LYS HB2 H 1.6310 . 2 1451 141 141 LYS HB3 H 1.7060 . 2 1452 141 141 LYS HG2 H 0.7630 . 2 1453 141 141 LYS HG3 H 1.1840 . 2 1454 141 141 LYS HD2 H 1.4450 . 2 1455 141 141 LYS HD3 H 1.4805 . 2 1456 141 141 LYS HE2 H 2.7617 . 2 1457 141 141 LYS HE3 H 2.7297 . 2 1458 141 141 LYS C C 178.2149 . 1 1459 141 141 LYS CA C 58.8930 . 1 1460 141 141 LYS CB C 32.2505 . 1 1461 141 141 LYS CG C 24.5670 . 1 1462 141 141 LYS CD C 29.2790 . 1 1463 141 141 LYS CE C 42.1430 . 1 1464 141 141 LYS N N 120.5883 . 1 1465 142 142 PHE H H 7.7302 . 1 1466 142 142 PHE HA H 4.8820 . 1 1467 142 142 PHE HB2 H 3.5640 . 2 1468 142 142 PHE HB3 H 2.5490 . 2 1469 142 142 PHE HD1 H 7.3010 . 3 1470 142 142 PHE HE1 H 6.7550 . 3 1471 142 142 PHE C C 175.1381 . 1 1472 142 142 PHE CA C 58.1765 . 1 1473 142 142 PHE CB C 39.0427 . 1 1474 142 142 PHE CD1 C 131.8950 . 2 1475 142 142 PHE CE1 C 132.4000 . 2 1476 142 142 PHE N N 115.8636 . 1 1477 143 143 LYS H H 7.2187 . 1 1478 143 143 LYS HA H 4.1550 . 1 1479 143 143 LYS HB2 H 1.8850 . 2 1480 143 143 LYS HB3 H 2.1111 . 2 1481 143 143 LYS HG2 H 1.4590 . 2 1482 143 143 LYS HD2 H 1.7300 . 2 1483 143 143 LYS HE2 H 2.9810 . 2 1484 143 143 LYS C C 178.3177 . 1 1485 143 143 LYS CA C 60.3315 . 1 1486 143 143 LYS CB C 32.8089 . 1 1487 143 143 LYS CG C 24.3050 . 1 1488 143 143 LYS CD C 29.6000 . 1 1489 143 143 LYS CE C 42.1360 . 1 1490 143 143 LYS N N 121.8747 . 1 1491 144 144 GLU H H 8.6520 . 1 1492 144 144 GLU HA H 4.1190 . 1 1493 144 144 GLU HB2 H 2.0520 . 2 1494 144 144 GLU HG2 H 2.2530 . 2 1495 144 144 GLU C C 179.0948 . 1 1496 144 144 GLU CA C 59.5140 . 1 1497 144 144 GLU CB C 29.2416 . 1 1498 144 144 GLU CG C 36.6330 . 1 1499 144 144 GLU N N 118.5089 . 1 1500 145 145 GLU H H 8.3842 . 1 1501 145 145 GLU HA H 4.0950 . 1 1502 145 145 GLU HB2 H 2.1570 . 2 1503 145 145 GLU HG2 H 2.4100 . 2 1504 145 145 GLU C C 179.0634 . 1 1505 145 145 GLU CA C 59.3918 . 1 1506 145 145 GLU CB C 29.4951 . 1 1507 145 145 GLU CG C 36.5270 . 1 1508 145 145 GLU N N 120.9375 . 1 1509 146 146 ASP H H 8.8118 . 1 1510 146 146 ASP HA H 4.3980 . 1 1511 146 146 ASP HB2 H 2.6770 . 2 1512 146 146 ASP HB3 H 3.0200 . 2 1513 146 146 ASP C C 178.6886 . 1 1514 146 146 ASP CA C 56.7719 . 1 1515 146 146 ASP CB C 40.1442 . 1 1516 146 146 ASP N N 120.9095 . 1 1517 147 147 GLU H H 8.3443 . 1 1518 147 147 GLU HA H 4.0960 . 1 1519 147 147 GLU HB2 H 2.0680 . 2 1520 147 147 GLU HB3 H 2.1472 . 2 1521 147 147 GLU HG2 H 2.4090 . 2 1522 147 147 GLU HG3 H 2.2584 . 2 1523 147 147 GLU C C 178.7993 . 1 1524 147 147 GLU CA C 59.0832 . 1 1525 147 147 GLU CB C 29.3911 . 1 1526 147 147 GLU CG C 36.6640 . 1 1527 147 147 GLU N N 121.0997 . 1 1528 148 148 LYS H H 7.8190 . 1 1529 148 148 LYS HA H 4.0673 . 1 1530 148 148 LYS HB2 H 1.9260 . 2 1531 148 148 LYS HG2 H 1.4633 . 2 1532 148 148 LYS HG3 H 1.6164 . 2 1533 148 148 LYS HD2 H 1.7000 . 2 1534 148 148 LYS HE2 H 2.9830 . 2 1535 148 148 LYS C C 179.2629 . 1 1536 148 148 LYS CA C 58.9494 . 1 1537 148 148 LYS CB C 32.4827 . 1 1538 148 148 LYS CG C 24.9870 . 1 1539 148 148 LYS CD C 29.1810 . 1 1540 148 148 LYS CE C 42.1270 . 1 1541 148 148 LYS N N 119.5640 . 1 1542 149 149 GLU H H 8.0418 . 1 1543 149 149 GLU HA H 4.1830 . 1 1544 149 149 GLU HB2 H 2.0670 . 2 1545 149 149 GLU HG2 H 2.2940 . 2 1546 149 149 GLU C C 178.6085 . 1 1547 149 149 GLU CA C 58.1918 . 1 1548 149 149 GLU CB C 29.4653 . 1 1549 149 149 GLU CG C 36.2590 . 1 1550 149 149 GLU N N 119.0955 . 1 1551 150 150 SER H H 8.2099 . 1 1552 150 150 SER HA H 4.1960 . 1 1553 150 150 SER HB2 H 3.9430 . 2 1554 150 150 SER HB3 H 3.9950 . 2 1555 150 150 SER C C 175.8635 . 1 1556 150 150 SER CA C 60.8166 . 1 1557 150 150 SER CB C 63.1643 . 1 1558 150 150 SER N N 114.8999 . 1 1559 151 151 GLN H H 7.8329 . 1 1560 151 151 GLN HA H 4.2380 . 1 1561 151 151 GLN HB2 H 2.1710 . 2 1562 151 151 GLN HB3 H 2.0450 . 2 1563 151 151 GLN HG2 H 2.4310 . 2 1564 151 151 GLN HG3 H 2.5230 . 2 1565 151 151 GLN HE21 H 7.5260 . 2 1566 151 151 GLN HE22 H 6.8340 . 2 1567 151 151 GLN C C 176.6934 . 1 1568 151 151 GLN CA C 56.8600 . 1 1569 151 151 GLN CB C 28.6777 . 1 1570 151 151 GLN CG C 33.9820 . 1 1571 151 151 GLN N N 119.1687 . 1 1572 151 151 GLN NE2 N 112.0490 . 1 1573 152 152 ARG H H 7.6810 . 1 1574 152 152 ARG HA H 4.1970 . 1 1575 152 152 ARG HB2 H 1.9180 . 2 1576 152 152 ARG HB3 H 1.8470 . 2 1577 152 152 ARG HG2 H 1.7050 . 2 1578 152 152 ARG HG3 H 1.6200 . 2 1579 152 152 ARG HD2 H 3.1980 . 2 1580 152 152 ARG C C 176.5665 . 1 1581 152 152 ARG CA C 57.4296 . 1 1582 152 152 ARG CB C 30.6112 . 1 1583 152 152 ARG CG C 27.4670 . 1 1584 152 152 ARG CD C 43.4060 . 1 1585 152 152 ARG N N 119.0919 . 1 1586 153 153 ILE H H 7.6801 . 1 1587 153 153 ILE HA H 4.0860 . 1 1588 153 153 ILE HB H 1.8790 . 1 1589 153 153 ILE HG12 H 1.4780 . 2 1590 153 153 ILE HG13 H 1.1860 . 2 1591 153 153 ILE HG2 H 0.9120 . 1 1592 153 153 ILE HD1 H 0.7900 . 1 1593 153 153 ILE C C 175.8324 . 1 1594 153 153 ILE CA C 61.0909 . 1 1595 153 153 ILE CB C 38.3940 . 1 1596 153 153 ILE CG1 C 27.2920 . 1 1597 153 153 ILE CG2 C 17.6680 . 1 1598 153 153 ILE CD1 C 12.8300 . 1 1599 153 153 ILE N N 119.7624 . 1 1600 154 154 ALA H H 8.2948 . 1 1601 154 154 ALA HA H 4.3030 . 1 1602 154 154 ALA HB H 1.4130 . 1 1603 154 154 ALA C C 177.6989 . 1 1604 154 154 ALA CA C 53.1174 . 1 1605 154 154 ALA CB C 18.9543 . 1 1606 154 154 ALA N N 127.3137 . 1 1607 155 155 SER H H 8.0805 . 1 1608 155 155 SER HA H 4.4590 . 1 1609 155 155 SER HB2 H 3.8930 . 2 1610 155 155 SER C C 174.5459 . 1 1611 155 155 SER CA C 58.2486 . 1 1612 155 155 SER CB C 63.9496 . 1 1613 155 155 SER N N 114.4040 . 1 1614 156 156 LYS H H 8.4635 . 1 1615 156 156 LYS HA H 4.3950 . 1 1616 156 156 LYS HB2 H 1.9100 . 2 1617 156 156 LYS HB3 H 1.7100 . 2 1618 156 156 LYS HG2 H 1.4230 . 2 1619 156 156 LYS HD2 H 1.6670 . 2 1620 156 156 LYS HE2 H 2.9830 . 2 1621 156 156 LYS C C 175.7975 . 1 1622 156 156 LYS CA C 56.0521 . 1 1623 156 156 LYS CB C 32.9939 . 1 1624 156 156 LYS CG C 24.7530 . 1 1625 156 156 LYS CD C 29.0410 . 1 1626 156 156 LYS CE C 42.1930 . 1 1627 156 156 LYS N N 122.4226 . 1 1628 157 157 ASN H H 8.7725 . 1 1629 157 157 ASN HA H 4.5510 . 1 1630 157 157 ASN HB2 H 2.8460 . 2 1631 157 157 ASN HD21 H 6.6025 . 2 1632 157 157 ASN HD22 H 6.8016 . 2 1633 157 157 ASN C C 173.9776 . 1 1634 157 157 ASN CA C 53.8165 . 1 1635 157 157 ASN CB C 36.9615 . 1 1636 157 157 ASN N N 117.4595 . 1 1637 157 157 ASN ND2 N 109.5998 . 1 1638 158 158 GLN H H 8.5472 . 1 1639 158 158 GLN HA H 4.7240 . 1 1640 158 158 GLN HB2 H 2.1950 . 2 1641 158 158 GLN HB3 H 1.6450 . 2 1642 158 158 GLN HG2 H 2.1880 . 2 1643 158 158 GLN HG3 H 2.4380 . 2 1644 158 158 GLN HE21 H 6.6940 . 2 1645 158 158 GLN HE22 H 7.5820 . 2 1646 158 158 GLN C C 174.8236 . 1 1647 158 158 GLN CA C 55.0972 . 1 1648 158 158 GLN CB C 31.0660 . 1 1649 158 158 GLN CG C 34.5070 . 1 1650 158 158 GLN N N 117.4051 . 1 1651 158 158 GLN NE2 N 108.6860 . 1 1652 159 159 LEU H H 8.9998 . 1 1653 159 159 LEU HA H 4.9120 . 1 1654 159 159 LEU HB2 H 1.3830 . 2 1655 159 159 LEU HB3 H 1.8336 . 2 1656 159 159 LEU HG H 1.7100 . 1 1657 159 159 LEU HD1 H 0.7604 . 2 1658 159 159 LEU HD2 H 0.4800 . 2 1659 159 159 LEU C C 174.7965 . 1 1660 159 159 LEU CA C 53.0263 . 1 1661 159 159 LEU CB C 44.4192 . 1 1662 159 159 LEU CG C 26.7000 . 1 1663 159 159 LEU CD1 C 24.2000 . 2 1664 159 159 LEU CD2 C 25.6000 . 2 1665 159 159 LEU N N 120.9975 . 1 1666 160 160 GLU H H 8.0380 . 1 1667 160 160 GLU HA H 4.6543 . 1 1668 160 160 GLU HB2 H 2.3500 . 2 1669 160 160 GLU HG2 H 2.3300 . 2 1670 160 160 GLU C C 175.6311 . 1 1671 160 160 GLU CA C 56.6061 . 1 1672 160 160 GLU CB C 32.1448 . 1 1673 160 160 GLU CG C 36.0360 . 1 1674 161 161 SER H H 8.6706 . 1 1675 161 161 SER HA H 4.3210 . 1 1676 161 161 SER HB2 H 3.7690 . 2 1677 161 161 SER HB3 H 3.9547 . 2 1678 161 161 SER C C 173.6835 . 1 1679 161 161 SER CA C 58.3106 . 1 1680 161 161 SER CB C 64.4769 . 1 1681 161 161 SER N N 112.9328 . 1 1682 162 162 ILE H H 7.5192 . 1 1683 162 162 ILE HA H 4.2040 . 1 1684 162 162 ILE HB H 1.6940 . 1 1685 162 162 ILE HG12 H 1.3190 . 2 1686 162 162 ILE HG13 H 1.0090 . 2 1687 162 162 ILE HG2 H 0.7730 . 1 1688 162 162 ILE HD1 H 0.7569 . 1 1689 162 162 ILE C C 174.6113 . 1 1690 162 162 ILE CA C 60.1967 . 1 1691 162 162 ILE CB C 40.8841 . 1 1692 162 162 ILE CG1 C 27.0070 . 1 1693 162 162 ILE CG2 C 17.2500 . 1 1694 162 162 ILE CD1 C 13.7730 . 1 1695 162 162 ILE N N 118.1812 . 1 1696 163 163 ALA H H 8.1940 . 1 1697 163 163 ALA HA H 4.1040 . 1 1698 163 163 ALA HB H 1.2740 . 1 1699 163 163 ALA C C 177.3574 . 1 1700 163 163 ALA CA C 52.2899 . 1 1701 163 163 ALA CB C 19.2835 . 1 1702 163 163 ALA N N 127.1460 . 1 1703 164 164 TYR H H 8.8830 . 1 1704 164 164 TYR HA H 4.1940 . 1 1705 164 164 TYR HB2 H 3.0040 . 2 1706 164 164 TYR HB3 H 2.8050 . 2 1707 164 164 TYR HD1 H 7.0650 . 3 1708 164 164 TYR HE1 H 6.7520 . 3 1709 164 164 TYR C C 176.9590 . 1 1710 164 164 TYR CA C 60.4146 . 1 1711 164 164 TYR CB C 38.0718 . 1 1712 164 164 TYR CD1 C 133.0470 . 2 1713 164 164 TYR CE1 C 118.0800 . 2 1714 164 164 TYR N N 124.3767 . 1 1715 165 165 SER H H 8.3637 . 1 1716 165 165 SER HA H 4.1770 . 1 1717 165 165 SER HB2 H 3.7870 . 2 1718 165 165 SER C C 174.5867 . 1 1719 165 165 SER CA C 58.7781 . 1 1720 165 165 SER CB C 63.4669 . 1 1721 165 165 SER N N 115.4180 . 1 1722 166 166 LEU H H 7.8137 . 1 1723 166 166 LEU HA H 4.2890 . 1 1724 166 166 LEU HB2 H 1.5770 . 2 1725 166 166 LEU HB3 H 1.6180 . 2 1726 166 166 LEU HG H 1.5720 . 1 1727 166 166 LEU HD1 H 0.8400 . 2 1728 166 166 LEU HD2 H 0.9010 . 2 1729 166 166 LEU C C 177.5191 . 1 1730 166 166 LEU CA C 55.1510 . 1 1731 166 166 LEU CB C 42.1503 . 1 1732 166 166 LEU CG C 26.9350 . 1 1733 166 166 LEU CD1 C 23.5840 . 2 1734 166 166 LEU CD2 C 24.8760 . 2 1735 166 166 LEU N N 123.1863 . 1 1736 167 167 LYS H H 7.9302 . 1 1737 167 167 LYS HA H 4.1150 . 1 1738 167 167 LYS HB2 H 1.6900 . 2 1739 167 167 LYS HB3 H 1.6260 . 2 1740 167 167 LYS HG2 H 1.3700 . 2 1741 167 167 LYS HG3 H 1.2874 . 2 1742 167 167 LYS HD2 H 1.6064 . 2 1743 167 167 LYS HE2 H 2.9780 . 2 1744 167 167 LYS C C 176.4066 . 1 1745 167 167 LYS CA C 57.0079 . 1 1746 167 167 LYS CB C 32.7400 . 1 1747 167 167 LYS CG C 24.7760 . 1 1748 167 167 LYS CD C 29.0650 . 1 1749 167 167 LYS CE C 42.0830 . 1 1750 167 167 LYS N N 121.4040 . 1 1751 168 168 ASN H H 8.2707 . 1 1752 168 168 ASN HA H 4.6780 . 1 1753 168 168 ASN HB2 H 2.6490 . 2 1754 168 168 ASN HB3 H 2.7650 . 2 1755 168 168 ASN HD21 H 6.7840 . 2 1756 168 168 ASN HD22 H 7.4990 . 2 1757 168 168 ASN C C 175.2499 . 1 1758 168 168 ASN CA C 53.3947 . 1 1759 168 168 ASN CB C 38.8283 . 1 1760 168 168 ASN N N 118.8803 . 1 1761 168 168 ASN ND2 N 112.7050 . 1 1762 169 169 THR H H 7.9919 . 1 1763 169 169 THR HA H 4.2970 . 1 1764 169 169 THR HB H 4.2000 . 1 1765 169 169 THR HG2 H 1.1620 . 1 1766 169 169 THR C C 174.5440 . 1 1767 169 169 THR CA C 62.0573 . 1 1768 169 169 THR CB C 69.8670 . 1 1769 169 169 THR CG2 C 21.5920 . 1 1770 169 169 THR N N 114.3071 . 1 1771 170 170 ILE H H 8.1110 . 1 1772 170 170 ILE HA H 4.1860 . 1 1773 170 170 ILE HB H 1.8650 . 1 1774 170 170 ILE HG12 H 1.4420 . 2 1775 170 170 ILE HG13 H 1.1530 . 2 1776 170 170 ILE HG2 H 0.8900 . 1 1777 170 170 ILE HD1 H 0.8190 . 1 1778 170 170 ILE C C 176.2370 . 1 1779 170 170 ILE CA C 61.2367 . 1 1780 170 170 ILE CB C 38.8364 . 1 1781 170 170 ILE CG1 C 27.1970 . 1 1782 170 170 ILE CG2 C 17.5550 . 1 1783 170 170 ILE CD1 C 12.9910 . 1 1784 170 170 ILE N N 122.9245 . 1 1785 171 171 SER H H 8.3408 . 1 1786 171 171 SER HA H 4.4520 . 1 1787 171 171 SER HB2 H 3.8580 . 2 1788 171 171 SER C C 174.5591 . 1 1789 171 171 SER CA C 58.2064 . 1 1790 171 171 SER CB C 63.8730 . 1 1791 171 171 SER N N 119.7577 . 1 1792 172 172 GLU H H 8.4631 . 1 1793 172 172 GLU HA H 4.2820 . 1 1794 172 172 GLU HB2 H 1.9190 . 2 1795 172 172 GLU HB3 H 2.0730 . 2 1796 172 172 GLU HG2 H 2.2480 . 2 1797 172 172 GLU C C 176.0460 . 1 1798 172 172 GLU CA C 56.7341 . 1 1799 172 172 GLU CB C 30.1977 . 1 1800 172 172 GLU CG C 36.3790 . 1 1801 172 172 GLU N N 123.4138 . 1 1802 173 173 ALA H H 8.2583 . 1 1803 173 173 ALA HA H 4.3220 . 1 1804 173 173 ALA HB H 1.3730 . 1 1805 173 173 ALA C C 177.0787 . 1 1806 173 173 ALA CA C 52.4646 . 1 1807 173 173 ALA CB C 19.3980 . 1 1808 173 173 ALA N N 124.8865 . 1 1809 174 174 GLY H H 7.8990 . 1 1810 174 174 GLY HA2 H 3.7210 . 2 1811 174 174 GLY CA C 46.2188 . 1 1812 174 174 GLY N N 114.4888 . 1 stop_ save_