data_36161 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SBDbeta domain of yeast Ssa1 ; _BMRB_accession_number 36161 _BMRB_flat_file_name bmr36161.str _Entry_type original _Submission_date 2018-01-31 _Accession_date 2018-09-28 _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 Gong W. . . 2 Hu W. . . 3 Wu H. . . 4 Perrett S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 926 "13C chemical shifts" 732 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-06 update BMRB 'update entry citation' 2018-10-12 original author 'original release' stop_ _Original_release_date 2018-09-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The C-terminal GGAP motif of Hsp70 mediates substrate recognition and stress response in yeast ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30228181 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gong W. . . 2 Hu W. . . 3 Xu L. . . 4 Wu H. . . 5 Wu S. . . 6 Zhang H. . . 7 Wang J. . . 8 Jones G. W. . 9 Perrett S. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The journal of biological chemistry' _Journal_volume 293 _Journal_issue 46 _Journal_ASTM JBCHA3 _Journal_ISSN 1083-351X _Journal_CSD 0071 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17663 _Page_last 17675 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Heat shock protein SSA1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 18774.189 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; SSKTQDLLLLDVAPLSLGIE TAGGVMTKLIPRNSTIPTKK SEIFSTYADNQPGVLIQVFE GERAKTKDNNLLGKFELSGI PPAPRGVPQIEVTFDVDSNG ILNVSAVEKGTGKSNKITIT NDKGRLSKEDIEKMVAEAEK FKEEDEKESQRIASKNQLES IAYSLKNTISEAG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 SER 3 3 LYS 4 4 THR 5 5 GLN 6 6 ASP 7 7 LEU 8 8 LEU 9 9 LEU 10 10 LEU 11 11 ASP 12 12 VAL 13 13 ALA 14 14 PRO 15 15 LEU 16 16 SER 17 17 LEU 18 18 GLY 19 19 ILE 20 20 GLU 21 21 THR 22 22 ALA 23 23 GLY 24 24 GLY 25 25 VAL 26 26 MET 27 27 THR 28 28 LYS 29 29 LEU 30 30 ILE 31 31 PRO 32 32 ARG 33 33 ASN 34 34 SER 35 35 THR 36 36 ILE 37 37 PRO 38 38 THR 39 39 LYS 40 40 LYS 41 41 SER 42 42 GLU 43 43 ILE 44 44 PHE 45 45 SER 46 46 THR 47 47 TYR 48 48 ALA 49 49 ASP 50 50 ASN 51 51 GLN 52 52 PRO 53 53 GLY 54 54 VAL 55 55 LEU 56 56 ILE 57 57 GLN 58 58 VAL 59 59 PHE 60 60 GLU 61 61 GLY 62 62 GLU 63 63 ARG 64 64 ALA 65 65 LYS 66 66 THR 67 67 LYS 68 68 ASP 69 69 ASN 70 70 ASN 71 71 LEU 72 72 LEU 73 73 GLY 74 74 LYS 75 75 PHE 76 76 GLU 77 77 LEU 78 78 SER 79 79 GLY 80 80 ILE 81 81 PRO 82 82 PRO 83 83 ALA 84 84 PRO 85 85 ARG 86 86 GLY 87 87 VAL 88 88 PRO 89 89 GLN 90 90 ILE 91 91 GLU 92 92 VAL 93 93 THR 94 94 PHE 95 95 ASP 96 96 VAL 97 97 ASP 98 98 SER 99 99 ASN 100 100 GLY 101 101 ILE 102 102 LEU 103 103 ASN 104 104 VAL 105 105 SER 106 106 ALA 107 107 VAL 108 108 GLU 109 109 LYS 110 110 GLY 111 111 THR 112 112 GLY 113 113 LYS 114 114 SER 115 115 ASN 116 116 LYS 117 117 ILE 118 118 THR 119 119 ILE 120 120 THR 121 121 ASN 122 122 ASP 123 123 LYS 124 124 GLY 125 125 ARG 126 126 LEU 127 127 SER 128 128 LYS 129 129 GLU 130 130 ASP 131 131 ILE 132 132 GLU 133 133 LYS 134 134 MET 135 135 VAL 136 136 ALA 137 137 GLU 138 138 ALA 139 139 GLU 140 140 LYS 141 141 PHE 142 142 LYS 143 143 GLU 144 144 GLU 145 145 ASP 146 146 GLU 147 147 LYS 148 148 GLU 149 149 SER 150 150 GLN 151 151 ARG 152 152 ILE 153 153 ALA 154 154 SER 155 155 LYS 156 156 ASN 157 157 GLN 158 158 LEU 159 159 GLU 160 160 SER 161 161 ILE 162 162 ALA 163 163 TYR 164 164 SER 165 165 LEU 166 166 LYS 167 167 ASN 168 168 THR 169 169 ILE 170 170 SER 171 171 GLU 172 172 ALA 173 173 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 _Strain _Gene_mnemonic $entity_1 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces 'Saccharomyces cerevisiae' 'ATCC 204508 / S288c' 'SSA1, YAL005C' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] Ssa1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_15N-edited_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label $sample_1 save_ save_3D_13C-edited_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label $sample_1 save_ save_3D_13C-edited_aromatic_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited aromatic NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 90 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D HBHA(CO)NH' '3D C(CO)NH' '3D 15N-edited NOESY' '3D 13C-edited NOESY' '3D 13C-edited aromatic NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 LYS HA H 4.3810 . 1 2 3 3 LYS HB2 H 1.8660 . 2 3 3 3 LYS HB3 H 1.7680 . 2 4 3 3 LYS HG2 H 1.4080 . 2 5 3 3 LYS HD2 H 1.6650 . 2 6 3 3 LYS HE2 H 2.9840 . 2 7 3 3 LYS C C 176.8980 . 1 8 3 3 LYS CA C 56.5950 . 1 9 3 3 LYS CB C 32.9520 . 1 10 3 3 LYS CG C 24.6460 . 1 11 3 3 LYS CD C 29.1010 . 1 12 3 3 LYS CE C 42.1380 . 1 13 4 4 THR H H 8.1390 . 1 14 4 4 THR HA H 4.2730 . 1 15 4 4 THR HB H 4.1990 . 1 16 4 4 THR HG2 H 1.1790 . 1 17 4 4 THR C C 174.6810 . 1 18 4 4 THR CA C 62.1680 . 1 19 4 4 THR CB C 69.5720 . 1 20 4 4 THR CG2 C 21.5270 . 1 21 4 4 THR N N 115.2120 . 1 22 5 5 GLN H H 8.3790 . 1 23 5 5 GLN HA H 4.2890 . 1 24 5 5 GLN HB2 H 1.9770 . 2 25 5 5 GLN HB3 H 2.0800 . 2 26 5 5 GLN HG2 H 2.3300 . 2 27 5 5 GLN HE21 H 7.5480 . 2 28 5 5 GLN HE22 H 6.8530 . 2 29 5 5 GLN C C 175.5990 . 1 30 5 5 GLN CA C 56.1230 . 1 31 5 5 GLN CB C 29.4700 . 1 32 5 5 GLN CG C 33.7730 . 1 33 5 5 GLN N N 122.1800 . 1 34 5 5 GLN NE2 N 112.4940 . 1 35 6 6 ASP H H 8.3190 . 1 36 6 6 ASP HA H 4.5330 . 1 37 6 6 ASP HB2 H 2.5620 . 2 38 6 6 ASP HB3 H 2.6760 . 2 39 6 6 ASP C C 176.1610 . 1 40 6 6 ASP CA C 54.6530 . 1 41 6 6 ASP CB C 41.1030 . 1 42 6 6 ASP N N 121.6340 . 1 43 7 7 LEU H H 8.0800 . 1 44 7 7 LEU HA H 4.2860 . 1 45 7 7 LEU HB2 H 1.6230 . 2 46 7 7 LEU HB3 H 1.5560 . 2 47 7 7 LEU HG H 1.5890 . 1 48 7 7 LEU HD1 H 0.8400 . 2 49 7 7 LEU HD2 H 0.8970 . 2 50 7 7 LEU C C 177.0470 . 1 51 7 7 LEU CA C 55.3230 . 1 52 7 7 LEU CB C 42.3300 . 1 53 7 7 LEU CG C 26.9030 . 1 54 7 7 LEU CD1 C 23.5970 . 2 55 7 7 LEU CD2 C 24.9550 . 2 56 7 7 LEU N N 122.0720 . 1 57 8 8 LEU H H 8.1580 . 1 58 8 8 LEU HA H 4.2970 . 1 59 8 8 LEU HB2 H 1.5570 . 2 60 8 8 LEU HB3 H 1.6140 . 2 61 8 8 LEU HG H 1.5750 . 1 62 8 8 LEU HD1 H 0.8930 . 2 63 8 8 LEU HD2 H 0.8400 . 2 64 8 8 LEU C C 176.8240 . 1 65 8 8 LEU CA C 54.9470 . 1 66 8 8 LEU CB C 42.1530 . 1 67 8 8 LEU CG C 27.0470 . 1 68 8 8 LEU CD1 C 24.9450 . 2 69 8 8 LEU CD2 C 23.6310 . 2 70 8 8 LEU N N 122.4960 . 1 71 9 9 LEU H H 8.0560 . 1 72 9 9 LEU HA H 4.3070 . 1 73 9 9 LEU HB2 H 1.6180 . 2 74 9 9 LEU HB3 H 1.5610 . 2 75 9 9 LEU HG H 1.5740 . 1 76 9 9 LEU HD1 H 0.8920 . 2 77 9 9 LEU HD2 H 0.8440 . 2 78 9 9 LEU CA C 54.9470 . 1 79 9 9 LEU CB C 42.1530 . 1 80 9 9 LEU CG C 27.0800 . 1 81 9 9 LEU CD1 C 24.9610 . 2 82 9 9 LEU CD2 C 23.6130 . 2 83 9 9 LEU N N 122.9350 . 1 84 10 10 LEU H H 8.0730 . 1 85 10 10 LEU HA H 4.4590 . 1 86 10 10 LEU HB2 H 1.6080 . 2 87 10 10 LEU HG H 1.5820 . 1 88 10 10 LEU HD1 H 0.9000 . 2 89 10 10 LEU HD2 H 0.8370 . 2 90 10 10 LEU C C 176.5480 . 1 91 10 10 LEU CA C 54.5070 . 1 92 10 10 LEU CB C 43.1530 . 1 93 10 10 LEU CG C 26.8420 . 1 94 10 10 LEU CD1 C 25.1300 . 2 95 10 10 LEU CD2 C 23.5400 . 2 96 10 10 LEU N N 122.9380 . 1 97 11 11 ASP H H 8.4770 . 1 98 11 11 ASP HA H 4.6760 . 1 99 11 11 ASP HB2 H 2.6290 . 2 100 11 11 ASP HB3 H 2.7210 . 2 101 11 11 ASP C C 175.4430 . 1 102 11 11 ASP CA C 53.9900 . 1 103 11 11 ASP CB C 41.3600 . 1 104 11 11 ASP N N 121.0600 . 1 105 12 12 VAL H H 7.5980 . 1 106 12 12 VAL HA H 5.1060 . 1 107 12 12 VAL HB H 1.5940 . 1 108 12 12 VAL HG1 H 0.6520 . 2 109 12 12 VAL HG2 H 0.6380 . 2 110 12 12 VAL C C 175.6130 . 1 111 12 12 VAL CA C 57.9550 . 1 112 12 12 VAL CB C 36.5480 . 1 113 12 12 VAL CG1 C 21.5590 . 2 114 12 12 VAL CG2 C 18.0800 . 2 115 12 12 VAL N N 110.8670 . 1 116 13 13 ALA H H 8.4940 . 1 117 13 13 ALA HA H 4.6090 . 1 118 13 13 ALA HB H 1.2340 . 1 119 13 13 ALA C C 176.3290 . 1 120 13 13 ALA CA C 48.9980 . 1 121 13 13 ALA CB C 17.5060 . 1 122 13 13 ALA N N 125.8240 . 1 123 14 14 PRO HA H 4.3400 . 1 124 14 14 PRO HB2 H 1.9110 . 2 125 14 14 PRO HB3 H 2.3120 . 2 126 14 14 PRO HG2 H 2.0570 . 2 127 14 14 PRO HD2 H 4.1420 . 2 128 14 14 PRO C C 175.4850 . 1 129 14 14 PRO CA C 64.2590 . 1 130 14 14 PRO CB C 32.5580 . 1 131 14 14 PRO CG C 27.0210 . 1 132 14 14 PRO CD C 50.9120 . 1 133 15 15 LEU H H 7.3420 . 1 134 15 15 LEU HA H 4.6060 . 1 135 15 15 LEU HB2 H 1.6110 . 2 136 15 15 LEU HB3 H 1.3530 . 2 137 15 15 LEU HG H 1.4710 . 1 138 15 15 LEU HD1 H 1.1200 . 2 139 15 15 LEU HD2 H 0.8550 . 2 140 15 15 LEU C C 175.9540 . 1 141 15 15 LEU CA C 52.4500 . 1 142 15 15 LEU CB C 48.6450 . 1 143 15 15 LEU CG C 27.3560 . 1 144 15 15 LEU CD1 C 24.4000 . 2 145 15 15 LEU CD2 C 27.2100 . 2 146 15 15 LEU N N 113.9460 . 1 147 16 16 SER H H 10.6720 . 1 148 16 16 SER HA H 4.8190 . 1 149 16 16 SER HB2 H 3.3350 . 2 150 16 16 SER HB3 H 4.1840 . 2 151 16 16 SER C C 172.7150 . 1 152 16 16 SER CA C 59.0720 . 1 153 16 16 SER CB C 62.8790 . 1 154 16 16 SER N N 119.5220 . 1 155 17 17 LEU H H 8.6890 . 1 156 17 17 LEU HA H 5.5050 . 1 157 17 17 LEU HB2 H 1.4890 . 2 158 17 17 LEU HB3 H 1.7920 . 2 159 17 17 LEU HG H 1.9360 . 1 160 17 17 LEU HD1 H 0.9180 . 2 161 17 17 LEU HD2 H 0.9540 . 2 162 17 17 LEU C C 178.0650 . 1 163 17 17 LEU CA C 52.3010 . 1 164 17 17 LEU CB C 46.4840 . 1 165 17 17 LEU CG C 26.1800 . 1 166 17 17 LEU CD1 C 23.8460 . 2 167 17 17 LEU CD2 C 26.0300 . 2 168 17 17 LEU N N 120.5690 . 1 169 18 18 GLY H H 9.3030 . 1 170 18 18 GLY HA2 H 4.4030 . 2 171 18 18 GLY HA3 H 4.0510 . 2 172 18 18 GLY C C 170.9100 . 1 173 18 18 GLY CA C 46.5340 . 1 174 18 18 GLY N N 112.2530 . 1 175 19 19 ILE H H 8.3750 . 1 176 19 19 ILE HB H 1.8960 . 1 177 19 19 ILE HG12 H 1.0190 . 2 178 19 19 ILE HG13 H 0.5760 . 2 179 19 19 ILE HG2 H 0.8580 . 1 180 19 19 ILE HD1 H -0.0940 . 1 181 19 19 ILE C C 174.2630 . 1 182 19 19 ILE CA C 57.6220 . 1 183 19 19 ILE CB C 42.8960 . 1 184 19 19 ILE CG1 C 24.9350 . 1 185 19 19 ILE CG2 C 18.0620 . 1 186 19 19 ILE CD1 C 14.2810 . 1 187 19 19 ILE N N 113.2600 . 1 188 20 20 GLU H H 7.3480 . 1 189 20 20 GLU HA H 4.7770 . 1 190 20 20 GLU HB3 H 2.0800 . 2 191 20 20 GLU HG3 H 2.3600 . 2 192 20 20 GLU C C 177.1470 . 1 193 20 20 GLU CA C 55.7940 . 1 194 20 20 GLU CB C 32.0790 . 1 195 20 20 GLU CG C 36.8170 . 1 196 20 20 GLU N N 119.6400 . 1 197 21 21 THR H H 9.4740 . 1 198 21 21 THR HA H 4.8100 . 1 199 21 21 THR HB H 4.7700 . 1 200 21 21 THR HG1 H 5.4400 . 1 201 21 21 THR HG2 H 1.2100 . 1 202 21 21 THR C C 174.2290 . 1 203 21 21 THR CA C 60.4990 . 1 204 21 21 THR CB C 70.4740 . 1 205 21 21 THR CG2 C 22.8000 . 1 206 21 21 THR N N 120.6280 . 1 207 22 22 ALA H H 8.2990 . 1 208 22 22 ALA HA H 4.0330 . 1 209 22 22 ALA HB H 0.7880 . 1 210 22 22 ALA C C 178.0260 . 1 211 22 22 ALA CA C 53.7500 . 1 212 22 22 ALA CB C 19.1640 . 1 213 22 22 ALA N N 119.4300 . 1 214 23 23 GLY H H 8.3840 . 1 215 23 23 GLY HA2 H 3.9480 . 2 216 23 23 GLY HA3 H 3.4240 . 2 217 23 23 GLY C C 174.7970 . 1 218 23 23 GLY CA C 45.3130 . 1 219 23 23 GLY N N 108.3060 . 1 220 24 24 GLY H H 8.2020 . 1 221 24 24 GLY HA2 H 3.5080 . 2 222 24 24 GLY HA3 H 3.2790 . 2 223 24 24 GLY C C 174.3100 . 1 224 24 24 GLY CA C 45.8300 . 1 225 24 24 GLY N N 108.7120 . 1 226 25 25 VAL H H 7.1840 . 1 227 25 25 VAL HA H 3.8060 . 1 228 25 25 VAL HB H 1.7590 . 1 229 25 25 VAL HG1 H 0.7500 . 2 230 25 25 VAL HG2 H 0.7510 . 2 231 25 25 VAL C C 174.4230 . 1 232 25 25 VAL CA C 62.3730 . 1 233 25 25 VAL CB C 34.0530 . 1 234 25 25 VAL CG1 C 22.3520 . 2 235 25 25 VAL CG2 C 20.9960 . 2 236 25 25 VAL N N 122.8990 . 1 237 26 26 MET H H 8.2630 . 1 238 26 26 MET HA H 3.8650 . 1 239 26 26 MET HB2 H 2.0290 . 2 240 26 26 MET HB3 H 0.7100 . 2 241 26 26 MET HG2 H 2.1200 . 2 242 26 26 MET HG3 H 2.2200 . 2 243 26 26 MET HE H 1.7180 . 1 244 26 26 MET C C 174.0470 . 1 245 26 26 MET CA C 54.5260 . 1 246 26 26 MET CB C 33.6020 . 1 247 26 26 MET CG C 33.6000 . 1 248 26 26 MET CE C 18.5600 . 1 249 26 26 MET N N 125.0860 . 1 250 27 27 THR H H 8.9860 . 1 251 27 27 THR HA H 4.4890 . 1 252 27 27 THR HB H 4.0050 . 1 253 27 27 THR HG2 H 1.2780 . 1 254 27 27 THR C C 174.1160 . 1 255 27 27 THR CA C 62.5240 . 1 256 27 27 THR CB C 69.0300 . 1 257 27 27 THR CG2 C 21.4790 . 1 258 27 27 THR N N 130.0100 . 1 259 28 28 LYS H H 8.9120 . 1 260 28 28 LYS HA H 3.8170 . 1 261 28 28 LYS HB2 H 1.7500 . 2 262 28 28 LYS HB3 H 1.2600 . 2 263 28 28 LYS HG2 H 1.4400 . 2 264 28 28 LYS HG3 H 0.9700 . 2 265 28 28 LYS HD2 H 1.6670 . 2 266 28 28 LYS HE2 H 2.8700 . 2 267 28 28 LYS HE3 H 2.9490 . 2 268 28 28 LYS C C 175.6440 . 1 269 28 28 LYS CA C 58.1280 . 1 270 28 28 LYS CB C 33.4440 . 1 271 28 28 LYS CG C 26.8740 . 1 272 28 28 LYS CD C 30.0800 . 1 273 28 28 LYS CE C 41.8730 . 1 274 28 28 LYS N N 126.3680 . 1 275 29 29 LEU H H 8.8510 . 1 276 29 29 LEU HA H 4.4860 . 1 277 29 29 LEU HB2 H 1.0650 . 2 278 29 29 LEU HB3 H 0.5430 . 2 279 29 29 LEU HG H 1.4320 . 1 280 29 29 LEU HD1 H 0.6580 . 2 281 29 29 LEU HD2 H 0.5680 . 2 282 29 29 LEU C C 176.0610 . 1 283 29 29 LEU CA C 56.2770 . 1 284 29 29 LEU CB C 43.7650 . 1 285 29 29 LEU CG C 29.6820 . 1 286 29 29 LEU CD1 C 24.5860 . 2 287 29 29 LEU CD2 C 24.5860 . 2 288 29 29 LEU N N 123.3990 . 1 289 30 30 ILE H H 7.6560 . 1 290 30 30 ILE HA H 4.6040 . 1 291 30 30 ILE HB H 1.9720 . 1 292 30 30 ILE HG12 H 1.3490 . 2 293 30 30 ILE HG13 H 1.1290 . 2 294 30 30 ILE HG2 H 0.7650 . 1 295 30 30 ILE HD1 H 0.8690 . 1 296 30 30 ILE C C 173.2510 . 1 297 30 30 ILE CA C 56.7320 . 1 298 30 30 ILE CB C 40.2670 . 1 299 30 30 ILE CG1 C 26.8500 . 1 300 30 30 ILE CG2 C 16.1890 . 1 301 30 30 ILE CD1 C 13.4240 . 1 302 30 30 ILE N N 116.6940 . 1 303 31 31 PRO HA H 4.3200 . 1 304 31 31 PRO HB2 H 1.8600 . 2 305 31 31 PRO HB3 H 2.3230 . 2 306 31 31 PRO HG2 H 2.0000 . 2 307 31 31 PRO HD2 H 4.1380 . 2 308 31 31 PRO C C 176.5290 . 1 309 31 31 PRO CA C 62.1280 . 1 310 31 31 PRO CB C 32.8130 . 1 311 31 31 PRO CG C 27.3160 . 1 312 31 31 PRO CD C 51.0340 . 1 313 32 32 ARG H H 8.6860 . 1 314 32 32 ARG HA H 3.4530 . 1 315 32 32 ARG HB2 H 1.5750 . 2 316 32 32 ARG HB3 H 1.9400 . 2 317 32 32 ARG HG2 H 1.2180 . 2 318 32 32 ARG HG3 H 1.3780 . 2 319 32 32 ARG HD2 H 3.1990 . 2 320 32 32 ARG HD3 H 3.0030 . 2 321 32 32 ARG HE H 7.1500 . 1 322 32 32 ARG C C 175.7110 . 1 323 32 32 ARG CA C 57.5600 . 1 324 32 32 ARG CB C 29.6930 . 1 325 32 32 ARG CG C 27.4450 . 1 326 32 32 ARG CD C 43.1710 . 1 327 32 32 ARG N N 125.5930 . 1 328 32 32 ARG NE N 84.2770 . 1 329 33 33 ASN H H 9.4640 . 1 330 33 33 ASN HA H 4.1760 . 1 331 33 33 ASN HB2 H 3.1930 . 2 332 33 33 ASN HB3 H 3.0070 . 2 333 33 33 ASN HD21 H 7.5990 . 2 334 33 33 ASN HD22 H 6.4910 . 2 335 33 33 ASN C C 174.5690 . 1 336 33 33 ASN CA C 55.0960 . 1 337 33 33 ASN CB C 36.1210 . 1 338 33 33 ASN N N 118.3080 . 1 339 33 33 ASN ND2 N 110.9000 . 1 340 34 34 SER H H 7.7330 . 1 341 34 34 SER HA H 4.4650 . 1 342 34 34 SER HB2 H 3.6220 . 2 343 34 34 SER HB3 H 3.8410 . 2 344 34 34 SER C C 173.7120 . 1 345 34 34 SER CA C 59.8360 . 1 346 34 34 SER CB C 63.8760 . 1 347 34 34 SER N N 115.1220 . 1 348 35 35 THR H H 8.4610 . 1 349 35 35 THR HA H 4.4600 . 1 350 35 35 THR HB H 4.1260 . 1 351 35 35 THR HG2 H 1.2550 . 1 352 35 35 THR C C 173.5460 . 1 353 35 35 THR CA C 63.2820 . 1 354 35 35 THR CB C 69.4540 . 1 355 35 35 THR CG2 C 22.4160 . 1 356 35 35 THR N N 118.7010 . 1 357 36 36 ILE H H 7.7170 . 1 358 36 36 ILE HA H 4.2000 . 1 359 36 36 ILE HB H 1.5500 . 1 360 36 36 ILE HG12 H 1.1600 . 2 361 36 36 ILE HG13 H 0.6600 . 2 362 36 36 ILE HG2 H 0.7100 . 1 363 36 36 ILE HD1 H 0.8080 . 1 364 36 36 ILE C C 173.6430 . 1 365 36 36 ILE CA C 57.6040 . 1 366 36 36 ILE CB C 39.1080 . 1 367 36 36 ILE CG1 C 25.9500 . 1 368 36 36 ILE CG2 C 17.8270 . 1 369 36 36 ILE CD1 C 12.8230 . 1 370 36 36 ILE N N 118.3530 . 1 371 37 37 PRO HA H 4.4600 . 1 372 37 37 PRO HB2 H 2.1830 . 2 373 37 37 PRO HB3 H 2.3280 . 2 374 37 37 PRO HG2 H 1.8680 . 2 375 37 37 PRO HD2 H 3.7010 . 2 376 37 37 PRO HD3 H 3.3840 . 2 377 37 37 PRO C C 175.8970 . 1 378 37 37 PRO CA C 62.2100 . 1 379 37 37 PRO CB C 36.4380 . 1 380 37 37 PRO CG C 24.5310 . 1 381 37 37 PRO CD C 51.2470 . 1 382 38 38 THR H H 8.5500 . 1 383 38 38 THR HA H 4.5990 . 1 384 38 38 THR HB H 4.5400 . 1 385 38 38 THR HG2 H 1.0230 . 1 386 38 38 THR C C 169.7610 . 1 387 38 38 THR CA C 61.4520 . 1 388 38 38 THR CB C 68.3890 . 1 389 38 38 THR CG2 C 19.4510 . 1 390 38 38 THR N N 115.4610 . 1 391 39 39 LYS H H 7.7260 . 1 392 39 39 LYS HA H 5.6070 . 1 393 39 39 LYS HB2 H 1.7680 . 2 394 39 39 LYS HB3 H 1.7990 . 2 395 39 39 LYS HG2 H 1.2970 . 2 396 39 39 LYS HG3 H 1.2350 . 2 397 39 39 LYS HD2 H 1.5960 . 2 398 39 39 LYS HE2 H 2.8680 . 2 399 39 39 LYS C C 175.3650 . 1 400 39 39 LYS CA C 54.8740 . 1 401 39 39 LYS CB C 35.5760 . 1 402 39 39 LYS CG C 24.4210 . 1 403 39 39 LYS CD C 29.5680 . 1 404 39 39 LYS CE C 41.9110 . 1 405 39 39 LYS N N 124.0980 . 1 406 40 40 LYS H H 9.0670 . 1 407 40 40 LYS HA H 4.8240 . 1 408 40 40 LYS HB2 H 1.7650 . 2 409 40 40 LYS HB3 H 1.7030 . 2 410 40 40 LYS HG2 H 1.4410 . 2 411 40 40 LYS HG3 H 1.5500 . 2 412 40 40 LYS HD2 H 1.9280 . 2 413 40 40 LYS HE2 H 3.0750 . 2 414 40 40 LYS C C 174.2180 . 1 415 40 40 LYS CA C 54.3030 . 1 416 40 40 LYS CB C 37.0760 . 1 417 40 40 LYS CG C 24.6160 . 1 418 40 40 LYS CD C 28.0630 . 1 419 40 40 LYS CE C 42.3440 . 1 420 40 40 LYS N N 125.6200 . 1 421 41 41 SER H H 8.6530 . 1 422 41 41 SER HA H 6.0190 . 1 423 41 41 SER HB2 H 3.5970 . 2 424 41 41 SER HB3 H 3.7350 . 2 425 41 41 SER C C 173.1170 . 1 426 41 41 SER CA C 56.5910 . 1 427 41 41 SER CB C 66.8080 . 1 428 41 41 SER N N 118.8370 . 1 429 42 42 GLU H H 8.8970 . 1 430 42 42 GLU HA H 4.6050 . 1 431 42 42 GLU HB2 H 1.8600 . 2 432 42 42 GLU HB3 H 1.7500 . 2 433 42 42 GLU HG2 H 1.9400 . 2 434 42 42 GLU HG3 H 1.9900 . 2 435 42 42 GLU C C 173.2900 . 1 436 42 42 GLU CA C 54.8600 . 1 437 42 42 GLU CB C 34.7200 . 1 438 42 42 GLU CG C 36.2060 . 1 439 42 42 GLU N N 122.2180 . 1 440 43 43 ILE H H 8.8250 . 1 441 43 43 ILE HA H 4.6710 . 1 442 43 43 ILE HB H 1.7660 . 1 443 43 43 ILE HG12 H 1.5480 . 2 444 43 43 ILE HG13 H 1.1810 . 2 445 43 43 ILE HG2 H 0.8550 . 1 446 43 43 ILE HD1 H 0.7620 . 1 447 43 43 ILE C C 175.1640 . 1 448 43 43 ILE CA C 59.9380 . 1 449 43 43 ILE CB C 37.5070 . 1 450 43 43 ILE CG1 C 27.9360 . 1 451 43 43 ILE CG2 C 18.0960 . 1 452 43 43 ILE CD1 C 11.2090 . 1 453 43 43 ILE N N 123.4160 . 1 454 44 44 PHE H H 9.5760 . 1 455 44 44 PHE HA H 5.0420 . 1 456 44 44 PHE HB2 H 2.7250 . 2 457 44 44 PHE HB3 H 3.2000 . 2 458 44 44 PHE HD1 H 7.0940 . 3 459 44 44 PHE HE1 H 6.8750 . 3 460 44 44 PHE C C 173.6620 . 1 461 44 44 PHE CA C 56.2590 . 1 462 44 44 PHE CB C 43.1500 . 1 463 44 44 PHE CD1 C 132.1250 . 1 464 44 44 PHE CE1 C 128.4000 . 1 465 44 44 PHE N N 127.7910 . 1 466 45 45 SER H H 8.5790 . 1 467 45 45 SER HA H 4.8790 . 1 468 45 45 SER HB2 H 3.8550 . 2 469 45 45 SER HB3 H 3.5600 . 2 470 45 45 SER HG H 6.8050 . 1 471 45 45 SER C C 175.4210 . 1 472 45 45 SER CA C 55.2650 . 1 473 45 45 SER CB C 64.8560 . 1 474 45 45 SER N N 111.7510 . 1 475 46 46 THR H H 9.0320 . 1 476 46 46 THR HA H 4.4630 . 1 477 46 46 THR HB H 4.4430 . 1 478 46 46 THR HG1 H 6.4310 . 1 479 46 46 THR HG2 H 1.0500 . 1 480 46 46 THR C C 173.5120 . 1 481 46 46 THR CA C 60.0970 . 1 482 46 46 THR CB C 69.0490 . 1 483 46 46 THR CG2 C 23.7610 . 1 484 46 46 THR N N 109.2970 . 1 485 47 47 TYR H H 7.8170 . 1 486 47 47 TYR HA H 4.2700 . 1 487 47 47 TYR HB2 H 2.9600 . 2 488 47 47 TYR HB3 H 2.7480 . 2 489 47 47 TYR HD1 H 7.1690 . 3 490 47 47 TYR HE1 H 6.7790 . 3 491 47 47 TYR C C 174.0440 . 1 492 47 47 TYR CA C 57.6260 . 1 493 47 47 TYR CB C 42.0370 . 1 494 47 47 TYR CD1 C 133.0470 . 1 495 47 47 TYR CE1 C 118.3100 . 1 496 47 47 TYR N N 119.5860 . 1 497 48 48 ALA H H 8.4690 . 1 498 48 48 ALA HA H 4.5700 . 1 499 48 48 ALA HB H 1.4210 . 1 500 48 48 ALA C C 176.2720 . 1 501 48 48 ALA CA C 49.5240 . 1 502 48 48 ALA CB C 22.2500 . 1 503 48 48 ALA N N 121.1870 . 1 504 49 49 ASP H H 8.5720 . 1 505 49 49 ASP HA H 4.3850 . 1 506 49 49 ASP HB2 H 2.5180 . 2 507 49 49 ASP C C 176.7860 . 1 508 49 49 ASP CA C 55.1010 . 1 509 49 49 ASP CB C 40.8650 . 1 510 49 49 ASP N N 119.4220 . 1 511 50 50 ASN H H 9.0290 . 1 512 50 50 ASN HA H 4.2310 . 1 513 50 50 ASN HB2 H 2.9970 . 2 514 50 50 ASN HB3 H 2.8350 . 2 515 50 50 ASN HD21 H 7.4840 . 2 516 50 50 ASN HD22 H 6.7110 . 2 517 50 50 ASN C C 173.9630 . 1 518 50 50 ASN CA C 54.8290 . 1 519 50 50 ASN CB C 36.4070 . 1 520 50 50 ASN N N 115.7860 . 1 521 50 50 ASN ND2 N 113.1750 . 1 522 51 51 GLN H H 7.6870 . 1 523 51 51 GLN HA H 4.4500 . 1 524 51 51 GLN HB2 H 2.0360 . 2 525 51 51 GLN HB3 H 2.6410 . 2 526 51 51 GLN HG2 H 2.3390 . 2 527 51 51 GLN HG3 H 2.3800 . 2 528 51 51 GLN C C 176.6100 . 1 529 51 51 GLN CA C 54.7860 . 1 530 51 51 GLN CB C 30.7110 . 1 531 51 51 GLN CG C 33.5300 . 1 532 51 51 GLN N N 123.8490 . 1 533 52 52 PRO HA H 4.9170 . 1 534 52 52 PRO HB3 H 2.1730 . 2 535 52 52 PRO HG2 H 2.0860 . 2 536 52 52 PRO HG3 H 1.9920 . 2 537 52 52 PRO HD2 H 4.1300 . 2 538 52 52 PRO C C 175.7610 . 1 539 52 52 PRO CA C 64.2620 . 1 540 52 52 PRO CB C 31.9780 . 1 541 52 52 PRO CG C 26.7680 . 1 542 52 52 PRO CD C 51.1000 . 1 543 53 53 GLY H H 7.0760 . 1 544 53 53 GLY HA2 H 4.7840 . 2 545 53 53 GLY HA3 H 4.0340 . 2 546 53 53 GLY C C 172.3020 . 1 547 53 53 GLY CA C 45.3420 . 1 548 53 53 GLY N N 106.2000 . 1 549 54 54 VAL H H 8.6180 . 1 550 54 54 VAL HA H 4.4510 . 1 551 54 54 VAL HB H 1.7900 . 1 552 54 54 VAL HG1 H 0.5980 . 2 553 54 54 VAL HG2 H 0.7010 . 2 554 54 54 VAL C C 172.6290 . 1 555 54 54 VAL CA C 58.8910 . 1 556 54 54 VAL CB C 35.4980 . 1 557 54 54 VAL CG1 C 23.5080 . 2 558 54 54 VAL CG2 C 19.4740 . 2 559 54 54 VAL N N 109.5190 . 1 560 55 55 LEU H H 7.8760 . 1 561 55 55 LEU HA H 4.5000 . 1 562 55 55 LEU HB2 H 1.5710 . 2 563 55 55 LEU HB3 H 1.0400 . 2 564 55 55 LEU HG H 0.6830 . 1 565 55 55 LEU HD1 H 0.6270 . 2 566 55 55 LEU HD2 H 0.6830 . 2 567 55 55 LEU C C 174.6280 . 1 568 55 55 LEU CA C 53.5020 . 1 569 55 55 LEU CB C 42.8960 . 1 570 55 55 LEU CG C 26.1510 . 1 571 55 55 LEU CD1 C 22.8800 . 2 572 55 55 LEU CD2 C 26.1510 . 2 573 55 55 LEU N N 123.7290 . 1 574 56 56 ILE H H 8.8250 . 1 575 56 56 ILE HA H 3.9000 . 1 576 56 56 ILE HB H 0.5000 . 1 577 56 56 ILE HG12 H 0.6140 . 2 578 56 56 ILE HG13 H 0.6550 . 2 579 56 56 ILE HG2 H 0.2860 . 1 580 56 56 ILE HD1 H 0.2000 . 1 581 56 56 ILE C C 173.7720 . 1 582 56 56 ILE CA C 58.8910 . 1 583 56 56 ILE CB C 34.5170 . 1 584 56 56 ILE CG1 C 27.2300 . 1 585 56 56 ILE CG2 C 18.0600 . 1 586 56 56 ILE CD1 C 12.1400 . 1 587 56 56 ILE N N 129.1380 . 1 588 57 57 GLN H H 8.9760 . 1 589 57 57 GLN HA H 4.6130 . 1 590 57 57 GLN HB2 H 1.9200 . 2 591 57 57 GLN HB3 H 2.1450 . 2 592 57 57 GLN HG3 H 2.2760 . 2 593 57 57 GLN HE22 H 7.1860 . 2 594 57 57 GLN C C 173.7330 . 1 595 57 57 GLN CA C 54.8290 . 1 596 57 57 GLN CB C 34.5900 . 1 597 57 57 GLN CG C 36.4760 . 1 598 57 57 GLN N N 125.6680 . 1 599 58 58 VAL H H 8.6200 . 1 600 58 58 VAL HA H 4.6430 . 1 601 58 58 VAL HB H 1.7260 . 1 602 58 58 VAL HG1 H 0.6870 . 2 603 58 58 VAL HG2 H 0.8320 . 2 604 58 58 VAL C C 174.1950 . 1 605 58 58 VAL CA C 61.6840 . 1 606 58 58 VAL CB C 32.4860 . 1 607 58 58 VAL CG1 C 21.1480 . 2 608 58 58 VAL CG2 C 21.2000 . 2 609 58 58 VAL N N 122.7000 . 1 610 59 59 PHE H H 9.1070 . 1 611 59 59 PHE HA H 5.3090 . 1 612 59 59 PHE HB2 H 2.3610 . 2 613 59 59 PHE HB3 H 2.5450 . 2 614 59 59 PHE HD1 H 6.7610 . 3 615 59 59 PHE HE1 H 7.1800 . 3 616 59 59 PHE C C 174.1470 . 1 617 59 59 PHE CA C 56.8090 . 1 618 59 59 PHE CB C 46.3090 . 1 619 59 59 PHE CD1 C 131.4350 . 1 620 59 59 PHE CE1 C 133.0470 . 1 621 59 59 PHE N N 125.8810 . 1 622 60 60 GLU H H 9.0360 . 1 623 60 60 GLU HA H 5.8390 . 1 624 60 60 GLU HB2 H 1.8170 . 2 625 60 60 GLU HB3 H 2.0110 . 2 626 60 60 GLU HG2 H 2.2410 . 2 627 60 60 GLU HG3 H 2.1500 . 2 628 60 60 GLU C C 175.5980 . 1 629 60 60 GLU CA C 52.8110 . 1 630 60 60 GLU CB C 33.5070 . 1 631 60 60 GLU CG C 36.8960 . 1 632 60 60 GLU N N 117.7750 . 1 633 61 61 GLY H H 8.9440 . 1 634 61 61 GLY HA2 H 3.6390 . 2 635 61 61 GLY HA3 H 4.8260 . 2 636 61 61 GLY C C 171.9550 . 1 637 61 61 GLY CA C 43.7500 . 1 638 61 61 GLY N N 111.5360 . 1 639 62 62 GLU H H 8.0470 . 1 640 62 62 GLU HA H 4.5000 . 1 641 62 62 GLU HB2 H 2.3270 . 2 642 62 62 GLU HB3 H 1.5000 . 2 643 62 62 GLU HG2 H 2.2800 . 2 644 62 62 GLU HG3 H 2.1800 . 2 645 62 62 GLU C C 178.5950 . 1 646 62 62 GLU CA C 54.3220 . 1 647 62 62 GLU CB C 31.9780 . 1 648 62 62 GLU CG C 36.1070 . 1 649 62 62 GLU N N 109.8860 . 1 650 63 63 ARG H H 8.5280 . 1 651 63 63 ARG HA H 4.3200 . 1 652 63 63 ARG HB2 H 1.6000 . 2 653 63 63 ARG HB3 H 2.5300 . 2 654 63 63 ARG HG2 H 1.5600 . 2 655 63 63 ARG HG3 H 1.8860 . 2 656 63 63 ARG HD2 H 3.3000 . 2 657 63 63 ARG HD3 H 2.9300 . 2 658 63 63 ARG C C 176.9900 . 1 659 63 63 ARG CA C 53.8270 . 1 660 63 63 ARG CB C 27.5100 . 1 661 63 63 ARG CG C 25.5500 . 1 662 63 63 ARG CD C 39.7250 . 1 663 63 63 ARG N N 119.0040 . 1 664 64 64 ALA H H 7.4890 . 1 665 64 64 ALA HA H 4.1050 . 1 666 64 64 ALA HB H 1.3780 . 1 667 64 64 ALA C C 177.7730 . 1 668 64 64 ALA CA C 54.4650 . 1 669 64 64 ALA CB C 20.2350 . 1 670 64 64 ALA N N 121.7110 . 1 671 65 65 LYS H H 8.6980 . 1 672 65 65 LYS HA H 4.3350 . 1 673 65 65 LYS HB2 H 1.8100 . 2 674 65 65 LYS HB3 H 1.9110 . 2 675 65 65 LYS HG2 H 1.4180 . 2 676 65 65 LYS HD2 H 1.6690 . 2 677 65 65 LYS HE2 H 2.9760 . 2 678 65 65 LYS C C 177.4800 . 1 679 65 65 LYS CA C 53.6740 . 1 680 65 65 LYS CB C 32.1790 . 1 681 65 65 LYS CG C 24.8300 . 1 682 65 65 LYS CD C 29.3280 . 1 683 65 65 LYS CE C 42.0630 . 1 684 65 65 LYS N N 117.1580 . 1 685 66 66 THR H H 7.9460 . 1 686 66 66 THR HA H 2.7810 . 1 687 66 66 THR HB H 2.0200 . 1 688 66 66 THR HG2 H 0.2810 . 1 689 66 66 THR C C 176.9170 . 1 690 66 66 THR CA C 65.3560 . 1 691 66 66 THR CB C 65.1150 . 1 692 66 66 THR CG2 C 23.7890 . 1 693 66 66 THR N N 113.9410 . 1 694 67 67 LYS H H 8.1130 . 1 695 67 67 LYS HA H 4.1150 . 1 696 67 67 LYS HB2 H 1.8170 . 2 697 67 67 LYS HB3 H 1.6500 . 2 698 67 67 LYS HG2 H 1.1820 . 2 699 67 67 LYS HD2 H 1.6900 . 2 700 67 67 LYS HE2 H 2.9400 . 2 701 67 67 LYS HE3 H 2.8000 . 2 702 67 67 LYS C C 176.1270 . 1 703 67 67 LYS CA C 58.0030 . 1 704 67 67 LYS CB C 30.9780 . 1 705 67 67 LYS CG C 23.3470 . 1 706 67 67 LYS CD C 29.3130 . 1 707 67 67 LYS CE C 42.1000 . 1 708 67 67 LYS N N 119.0380 . 1 709 68 68 ASP H H 7.1960 . 1 710 68 68 ASP HA H 4.8110 . 1 711 68 68 ASP HB2 H 2.7590 . 2 712 68 68 ASP HB3 H 2.2870 . 2 713 68 68 ASP C C 174.7750 . 1 714 68 68 ASP CA C 54.4840 . 1 715 68 68 ASP CB C 42.2070 . 1 716 68 68 ASP N N 117.2960 . 1 717 69 69 ASN H H 7.6550 . 1 718 69 69 ASN HA H 5.2370 . 1 719 69 69 ASN HB2 H 3.1190 . 2 720 69 69 ASN HB3 H 2.1420 . 2 721 69 69 ASN HD21 H 6.8020 . 2 722 69 69 ASN HD22 H 7.1760 . 2 723 69 69 ASN C C 172.7900 . 1 724 69 69 ASN CA C 51.5980 . 1 725 69 69 ASN CB C 40.3960 . 1 726 69 69 ASN N N 119.8410 . 1 727 70 70 ASN H H 8.5970 . 1 728 70 70 ASN HA H 5.2410 . 1 729 70 70 ASN HB2 H 2.7570 . 2 730 70 70 ASN HB3 H 2.9980 . 2 731 70 70 ASN HD21 H 6.8620 . 2 732 70 70 ASN HD22 H 8.5960 . 2 733 70 70 ASN C C 173.9920 . 1 734 70 70 ASN CA C 52.8170 . 1 735 70 70 ASN CB C 40.7520 . 1 736 70 70 ASN N N 116.2130 . 1 737 70 70 ASN ND2 N 115.6710 . 1 738 71 71 LEU H H 8.7590 . 1 739 71 71 LEU HA H 3.4220 . 1 740 71 71 LEU HB2 H 1.6030 . 2 741 71 71 LEU HB3 H 1.1690 . 2 742 71 71 LEU HG H 0.9330 . 1 743 71 71 LEU HD1 H 0.1770 . 2 744 71 71 LEU HD2 H 0.6830 . 2 745 71 71 LEU C C 176.4180 . 1 746 71 71 LEU CA C 55.8610 . 1 747 71 71 LEU CB C 41.2130 . 1 748 71 71 LEU CG C 26.5060 . 1 749 71 71 LEU CD1 C 22.8430 . 2 750 71 71 LEU CD2 C 26.5060 . 2 751 71 71 LEU N N 129.5620 . 1 752 72 72 LEU H H 9.3460 . 1 753 72 72 LEU HA H 4.4370 . 1 754 72 72 LEU HB2 H 1.3360 . 2 755 72 72 LEU HG H 1.5670 . 1 756 72 72 LEU HD1 H 0.6660 . 2 757 72 72 LEU C C 177.5060 . 1 758 72 72 LEU CA C 54.5750 . 1 759 72 72 LEU CB C 44.0920 . 1 760 72 72 LEU CG C 25.9570 . 1 761 72 72 LEU CD1 C 22.1430 . 2 762 72 72 LEU N N 126.6850 . 1 763 73 73 GLY H H 7.1260 . 1 764 73 73 GLY HA2 H 3.9630 . 2 765 73 73 GLY HA3 H 3.7840 . 2 766 73 73 GLY C C 169.3180 . 1 767 73 73 GLY CA C 45.2220 . 1 768 73 73 GLY N N 103.8310 . 1 769 74 74 LYS H H 8.5180 . 1 770 74 74 LYS HA H 5.6520 . 1 771 74 74 LYS HB2 H 1.5660 . 2 772 74 74 LYS HB3 H 1.7460 . 2 773 74 74 LYS HG2 H 1.2270 . 2 774 74 74 LYS HD2 H 1.4920 . 2 775 74 74 LYS HE3 H 2.8700 . 2 776 74 74 LYS C C 173.7890 . 1 777 74 74 LYS CA C 54.5570 . 1 778 74 74 LYS CB C 37.0560 . 1 779 74 74 LYS CG C 23.2750 . 1 780 74 74 LYS CD C 30.1470 . 1 781 74 74 LYS CE C 42.2400 . 1 782 74 74 LYS N N 116.1130 . 1 783 75 75 PHE H H 8.7630 . 1 784 75 75 PHE HA H 4.7690 . 1 785 75 75 PHE HB2 H 3.1780 . 2 786 75 75 PHE HB3 H 2.9100 . 2 787 75 75 PHE HD1 H 6.7430 . 3 788 75 75 PHE HE1 H 6.7400 . 3 789 75 75 PHE C C 171.4250 . 1 790 75 75 PHE CA C 56.6710 . 1 791 75 75 PHE CB C 40.1030 . 1 792 75 75 PHE CD1 C 132.3660 . 1 793 75 75 PHE CE1 C 129.8230 . 1 794 75 75 PHE N N 114.8220 . 1 795 76 76 GLU H H 8.9000 . 1 796 76 76 GLU HA H 4.9420 . 1 797 76 76 GLU HB2 H 1.9100 . 2 798 76 76 GLU HB3 H 1.8450 . 2 799 76 76 GLU HG2 H 2.0910 . 2 800 76 76 GLU HG3 H 2.0070 . 2 801 76 76 GLU C C 175.7830 . 1 802 76 76 GLU CA C 54.5750 . 1 803 76 76 GLU CB C 33.1900 . 1 804 76 76 GLU CG C 37.0140 . 1 805 76 76 GLU N N 119.6750 . 1 806 77 77 LEU H H 8.4860 . 1 807 77 77 LEU HA H 4.8600 . 1 808 77 77 LEU HB2 H 1.7740 . 2 809 77 77 LEU HB3 H 0.9670 . 2 810 77 77 LEU HG H 1.3780 . 1 811 77 77 LEU HD1 H 0.6860 . 2 812 77 77 LEU HD2 H 0.8300 . 2 813 77 77 LEU C C 174.3860 . 1 814 77 77 LEU CA C 54.4590 . 1 815 77 77 LEU CB C 44.4190 . 1 816 77 77 LEU CG C 27.4380 . 1 817 77 77 LEU CD1 C 26.1140 . 2 818 77 77 LEU CD2 C 24.0320 . 2 819 77 77 LEU N N 125.1520 . 1 820 78 78 SER H H 8.5970 . 1 821 78 78 SER HA H 5.1290 . 1 822 78 78 SER HB2 H 3.8560 . 2 823 78 78 SER HB3 H 3.7940 . 2 824 78 78 SER C C 173.3930 . 1 825 78 78 SER CA C 56.8590 . 1 826 78 78 SER CB C 65.1570 . 1 827 78 78 SER N N 121.3410 . 1 828 79 79 GLY H H 8.1730 . 1 829 79 79 GLY HA2 H 4.0650 . 2 830 79 79 GLY HA3 H 3.7600 . 2 831 79 79 GLY C C 175.3920 . 1 832 79 79 GLY CA C 45.9840 . 1 833 79 79 GLY N N 107.9390 . 1 834 80 80 ILE H H 8.1890 . 1 835 80 80 ILE HA H 3.9100 . 1 836 80 80 ILE HB H 1.8630 . 1 837 80 80 ILE HG12 H 1.4300 . 2 838 80 80 ILE HG13 H 0.7400 . 2 839 80 80 ILE HG2 H 0.8730 . 1 840 80 80 ILE HD1 H 0.5740 . 1 841 80 80 ILE C C 174.0960 . 1 842 80 80 ILE CA C 59.6760 . 1 843 80 80 ILE CB C 37.8040 . 1 844 80 80 ILE CG1 C 27.6500 . 1 845 80 80 ILE CG2 C 16.4300 . 1 846 80 80 ILE CD1 C 13.4310 . 1 847 80 80 ILE N N 122.0710 . 1 848 81 81 PRO HA H 4.5510 . 1 849 81 81 PRO HB2 H 1.8060 . 2 850 81 81 PRO HB3 H 2.3310 . 2 851 81 81 PRO HG2 H 2.0760 . 2 852 81 81 PRO HG3 H 1.8890 . 2 853 81 81 PRO HD2 H 3.4980 . 2 854 81 81 PRO HD3 H 4.1270 . 2 855 81 81 PRO CA C 61.7870 . 1 856 81 81 PRO CB C 30.6620 . 1 857 81 81 PRO CG C 27.9230 . 1 858 81 81 PRO CD C 51.1480 . 1 859 82 82 PRO HA H 4.2130 . 1 860 82 82 PRO HB2 H 1.8750 . 2 861 82 82 PRO HB3 H 2.0880 . 2 862 82 82 PRO HG2 H 2.0730 . 2 863 82 82 PRO HG3 H 1.9550 . 2 864 82 82 PRO HD2 H 3.6030 . 2 865 82 82 PRO HD3 H 3.7090 . 2 866 82 82 PRO CA C 64.3000 . 1 867 82 82 PRO CB C 31.7260 . 1 868 82 82 PRO CG C 27.5750 . 1 869 82 82 PRO CD C 50.7500 . 1 870 83 83 ALA H H 7.8930 . 1 871 83 83 ALA HA H 4.7400 . 1 872 83 83 ALA HB H 1.3180 . 1 873 83 83 ALA CA C 50.6080 . 1 874 83 83 ALA CB C 19.8500 . 1 875 83 83 ALA N N 127.1600 . 1 876 84 84 PRO HA H 4.3760 . 1 877 84 84 PRO HB2 H 2.4100 . 2 878 84 84 PRO HB3 H 1.7650 . 2 879 84 84 PRO HG2 H 2.0630 . 2 880 84 84 PRO HG3 H 1.9060 . 2 881 84 84 PRO HD2 H 3.8650 . 2 882 84 84 PRO HD3 H 3.2840 . 2 883 84 84 PRO C C 174.6670 . 1 884 84 84 PRO CA C 62.6730 . 1 885 84 84 PRO CB C 32.0470 . 1 886 84 84 PRO CG C 27.5450 . 1 887 84 84 PRO CD C 51.0300 . 1 888 85 85 ARG H H 9.1480 . 1 889 85 85 ARG HA H 3.8000 . 1 890 85 85 ARG HB2 H 1.4850 . 2 891 85 85 ARG HB3 H 1.2440 . 2 892 85 85 ARG HG2 H 1.3260 . 2 893 85 85 ARG HG3 H 1.5100 . 2 894 85 85 ARG HD2 H 2.9530 . 2 895 85 85 ARG HD3 H 2.9940 . 2 896 85 85 ARG HE H 7.0010 . 1 897 85 85 ARG C C 176.6720 . 1 898 85 85 ARG CA C 55.8490 . 1 899 85 85 ARG CB C 29.7000 . 1 900 85 85 ARG CG C 25.5510 . 1 901 85 85 ARG CD C 44.0000 . 1 902 85 85 ARG N N 120.9660 . 1 903 85 85 ARG NE N 85.6590 . 1 904 86 86 GLY H H 7.6800 . 1 905 86 86 GLY HA2 H 3.8130 . 2 906 86 86 GLY HA3 H 4.0760 . 2 907 86 86 GLY C C 175.1940 . 1 908 86 86 GLY CA C 46.3660 . 1 909 86 86 GLY N N 110.8930 . 1 910 87 87 VAL H H 7.5800 . 1 911 87 87 VAL HA H 4.0990 . 1 912 87 87 VAL HB H 2.3130 . 1 913 87 87 VAL HG1 H 0.8430 . 2 914 87 87 VAL HG2 H 0.9080 . 2 915 87 87 VAL C C 174.4930 . 1 916 87 87 VAL CA C 65.9620 . 1 917 87 87 VAL CB C 29.8000 . 1 918 87 87 VAL CG1 C 23.5120 . 2 919 87 87 VAL CG2 C 20.9420 . 2 920 87 87 VAL N N 118.6690 . 1 921 88 88 PRO HA H 4.4790 . 1 922 88 88 PRO HB2 H 1.5000 . 2 923 88 88 PRO HB3 H 2.3090 . 2 924 88 88 PRO HG2 H 1.9470 . 2 925 88 88 PRO HG3 H 2.1090 . 2 926 88 88 PRO HD2 H 3.7640 . 2 927 88 88 PRO HD3 H 3.9300 . 2 928 88 88 PRO C C 176.4150 . 1 929 88 88 PRO CA C 64.2690 . 1 930 88 88 PRO CB C 31.7240 . 1 931 88 88 PRO CG C 28.9000 . 1 932 88 88 PRO CD C 50.1080 . 1 933 89 89 GLN H H 9.5940 . 1 934 89 89 GLN HA H 4.7130 . 1 935 89 89 GLN HB2 H 1.8220 . 2 936 89 89 GLN HB3 H 2.1580 . 2 937 89 89 GLN HG2 H 2.3870 . 2 938 89 89 GLN HG3 H 2.3340 . 2 939 89 89 GLN HE21 H 7.3340 . 2 940 89 89 GLN HE22 H 6.7810 . 2 941 89 89 GLN C C 173.2990 . 1 942 89 89 GLN CA C 54.7550 . 1 943 89 89 GLN CB C 30.6680 . 1 944 89 89 GLN CG C 33.6000 . 1 945 89 89 GLN N N 123.7580 . 1 946 89 89 GLN NE2 N 112.6320 . 1 947 90 90 ILE H H 9.2180 . 1 948 90 90 ILE HA H 4.9200 . 1 949 90 90 ILE HB H 1.7630 . 1 950 90 90 ILE HG12 H 1.3760 . 2 951 90 90 ILE HG13 H 0.9630 . 2 952 90 90 ILE HG2 H 0.5460 . 1 953 90 90 ILE HD1 H 0.7280 . 1 954 90 90 ILE C C 175.0690 . 1 955 90 90 ILE CA C 59.1150 . 1 956 90 90 ILE CB C 39.0870 . 1 957 90 90 ILE CG1 C 28.1000 . 1 958 90 90 ILE CG2 C 18.4120 . 1 959 90 90 ILE CD1 C 14.9130 . 1 960 90 90 ILE N N 124.9790 . 1 961 91 91 GLU H H 9.3860 . 1 962 91 91 GLU HA H 4.9240 . 1 963 91 91 GLU HB2 H 1.6970 . 2 964 91 91 GLU HB3 H 2.2150 . 2 965 91 91 GLU HG2 H 1.9370 . 2 966 91 91 GLU C C 176.3680 . 1 967 91 91 GLU CA C 55.8910 . 1 968 91 91 GLU CB C 32.2320 . 1 969 91 91 GLU CG C 36.8690 . 1 970 91 91 GLU N N 129.4310 . 1 971 92 92 VAL H H 9.5140 . 1 972 92 92 VAL HA H 5.2420 . 1 973 92 92 VAL HB H 2.2120 . 1 974 92 92 VAL HG1 H 0.7690 . 2 975 92 92 VAL HG2 H 0.9840 . 2 976 92 92 VAL C C 174.5540 . 1 977 92 92 VAL CA C 61.4150 . 1 978 92 92 VAL CB C 33.3250 . 1 979 92 92 VAL CG1 C 21.8610 . 2 980 92 92 VAL CG2 C 20.7880 . 2 981 92 92 VAL N N 133.8590 . 1 982 93 93 THR H H 9.1500 . 1 983 93 93 THR HA H 5.2720 . 1 984 93 93 THR HB H 3.9770 . 1 985 93 93 THR HG2 H 1.0810 . 1 986 93 93 THR C C 173.6330 . 1 987 93 93 THR CA C 61.7200 . 1 988 93 93 THR CB C 71.1000 . 1 989 93 93 THR CG2 C 21.3810 . 1 990 93 93 THR N N 122.3280 . 1 991 94 94 PHE H H 9.6760 . 1 992 94 94 PHE HA H 5.0360 . 1 993 94 94 PHE HB2 H 2.6420 . 2 994 94 94 PHE HB3 H 3.2440 . 2 995 94 94 PHE HD1 H 7.0980 . 3 996 94 94 PHE HE1 H 7.0980 . 3 997 94 94 PHE C C 172.8310 . 1 998 94 94 PHE CA C 55.8850 . 1 999 94 94 PHE CB C 41.1640 . 1 1000 94 94 PHE CD1 C 130.5140 . 1 1001 94 94 PHE N N 128.6860 . 1 1002 95 95 ASP H H 8.7230 . 1 1003 95 95 ASP HA H 5.2480 . 1 1004 95 95 ASP HB2 H 2.9000 . 2 1005 95 95 ASP HB3 H 2.3230 . 2 1006 95 95 ASP C C 174.6340 . 1 1007 95 95 ASP CA C 53.2780 . 1 1008 95 95 ASP CB C 44.6740 . 1 1009 95 95 ASP N N 123.9890 . 1 1010 96 96 VAL H H 9.0900 . 1 1011 96 96 VAL HA H 5.0920 . 1 1012 96 96 VAL HB H 1.9010 . 1 1013 96 96 VAL HG1 H 1.0400 . 2 1014 96 96 VAL HG2 H 0.8660 . 2 1015 96 96 VAL C C 176.0640 . 1 1016 96 96 VAL CA C 60.7000 . 1 1017 96 96 VAL CB C 33.9380 . 1 1018 96 96 VAL CG1 C 21.8690 . 2 1019 96 96 VAL CG2 C 22.2800 . 2 1020 96 96 VAL N N 126.3600 . 1 1021 97 97 ASP H H 8.3540 . 1 1022 97 97 ASP HA H 4.8260 . 1 1023 97 97 ASP HB2 H 3.2770 . 2 1024 97 97 ASP HB3 H 2.8630 . 2 1025 97 97 ASP C C 177.4820 . 1 1026 97 97 ASP CA C 52.8320 . 1 1027 97 97 ASP CB C 41.6270 . 1 1028 97 97 ASP N N 128.6870 . 1 1029 98 98 SER H H 8.4860 . 1 1030 98 98 SER HA H 3.8570 . 1 1031 98 98 SER HB2 H 3.9410 . 2 1032 98 98 SER HB3 H 3.8030 . 2 1033 98 98 SER C C 174.3810 . 1 1034 98 98 SER CA C 61.1610 . 1 1035 98 98 SER CB C 62.9650 . 1 1036 98 98 SER N N 111.2680 . 1 1037 99 99 ASN H H 8.2850 . 1 1038 99 99 ASN HA H 4.8700 . 1 1039 99 99 ASN HB2 H 2.9260 . 2 1040 99 99 ASN HB3 H 2.8320 . 2 1041 99 99 ASN HD21 H 6.8900 . 2 1042 99 99 ASN HD22 H 7.8180 . 2 1043 99 99 ASN C C 175.4170 . 1 1044 99 99 ASN CA C 52.9900 . 1 1045 99 99 ASN CB C 39.7770 . 1 1046 99 99 ASN N N 118.0400 . 1 1047 99 99 ASN ND2 N 114.7890 . 1 1048 100 100 GLY H H 8.1830 . 1 1049 100 100 GLY HA2 H 3.3720 . 2 1050 100 100 GLY HA3 H 4.1120 . 2 1051 100 100 GLY C C 174.0640 . 1 1052 100 100 GLY CA C 45.7100 . 1 1053 100 100 GLY N N 108.5680 . 1 1054 101 101 ILE H H 8.3220 . 1 1055 101 101 ILE HA H 3.7600 . 1 1056 101 101 ILE HB H 2.0460 . 1 1057 101 101 ILE HG12 H 1.4530 . 2 1058 101 101 ILE HG13 H 1.1050 . 2 1059 101 101 ILE HG2 H 0.6340 . 1 1060 101 101 ILE HD1 H 0.8130 . 1 1061 101 101 ILE C C 174.9090 . 1 1062 101 101 ILE CA C 62.2590 . 1 1063 101 101 ILE CB C 35.7870 . 1 1064 101 101 ILE CG1 C 28.5880 . 1 1065 101 101 ILE CG2 C 17.7420 . 1 1066 101 101 ILE CD1 C 11.9290 . 1 1067 101 101 ILE N N 123.7600 . 1 1068 102 102 LEU H H 8.2020 . 1 1069 102 102 LEU HA H 5.0910 . 1 1070 102 102 LEU HB2 H 1.3940 . 2 1071 102 102 LEU HB3 H 1.7360 . 2 1072 102 102 LEU HG H 1.1400 . 1 1073 102 102 LEU HD1 H 0.5860 . 2 1074 102 102 LEU HD2 H 0.5530 . 2 1075 102 102 LEU C C 173.7170 . 1 1076 102 102 LEU CA C 53.2800 . 1 1077 102 102 LEU CB C 43.9810 . 1 1078 102 102 LEU CG C 27.5000 . 1 1079 102 102 LEU CD1 C 23.6400 . 2 1080 102 102 LEU CD2 C 26.5000 . 2 1081 102 102 LEU N N 130.2970 . 1 1082 103 103 ASN H H 9.4180 . 1 1083 103 103 ASN HA H 5.3370 . 1 1084 103 103 ASN HB2 H 2.7510 . 2 1085 103 103 ASN HB3 H 2.4050 . 2 1086 103 103 ASN HD21 H 8.0530 . 2 1087 103 103 ASN HD22 H 6.8920 . 2 1088 103 103 ASN C C 174.6710 . 1 1089 103 103 ASN CA C 52.5980 . 1 1090 103 103 ASN CB C 42.0080 . 1 1091 103 103 ASN N N 126.5900 . 1 1092 103 103 ASN ND2 N 116.7730 . 1 1093 104 104 VAL H H 8.7000 . 1 1094 104 104 VAL HA H 5.1020 . 1 1095 104 104 VAL HB H 1.6800 . 1 1096 104 104 VAL HG1 H 0.7600 . 2 1097 104 104 VAL HG2 H 0.0240 . 2 1098 104 104 VAL C C 173.6270 . 1 1099 104 104 VAL CA C 60.4030 . 1 1100 104 104 VAL CB C 33.5020 . 1 1101 104 104 VAL CG1 C 21.4830 . 2 1102 104 104 VAL CG2 C 19.4000 . 2 1103 104 104 VAL N N 125.3290 . 1 1104 105 105 SER H H 8.8850 . 1 1105 105 105 SER HA H 5.2580 . 1 1106 105 105 SER HB2 H 3.7010 . 2 1107 105 105 SER HB3 H 3.8260 . 2 1108 105 105 SER C C 172.8300 . 1 1109 105 105 SER CA C 55.9260 . 1 1110 105 105 SER CB C 67.0000 . 1 1111 105 105 SER N N 118.9100 . 1 1112 106 106 ALA H H 8.9020 . 1 1113 106 106 ALA HA H 5.6990 . 1 1114 106 106 ALA HB H 1.2210 . 1 1115 106 106 ALA C C 174.8300 . 1 1116 106 106 ALA CA C 50.5260 . 1 1117 106 106 ALA CB C 23.2730 . 1 1118 106 106 ALA N N 122.8610 . 1 1119 107 107 VAL H H 8.4840 . 1 1120 107 107 VAL HA H 4.8750 . 1 1121 107 107 VAL HB H 1.9500 . 1 1122 107 107 VAL HG1 H 0.8510 . 2 1123 107 107 VAL HG2 H 0.7890 . 2 1124 107 107 VAL C C 174.3370 . 1 1125 107 107 VAL CA C 59.6800 . 1 1126 107 107 VAL CB C 36.3350 . 1 1127 107 107 VAL CG1 C 20.9980 . 2 1128 107 107 VAL CG2 C 20.2170 . 2 1129 107 107 VAL N N 120.3160 . 1 1130 108 108 GLU H H 9.0980 . 1 1131 108 108 GLU HA H 4.8700 . 1 1132 108 108 GLU HB2 H 1.6460 . 2 1133 108 108 GLU HB3 H 2.4300 . 2 1134 108 108 GLU HG2 H 2.3740 . 2 1135 108 108 GLU HG3 H 2.1110 . 2 1136 108 108 GLU C C 176.6910 . 1 1137 108 108 GLU CA C 55.8680 . 1 1138 108 108 GLU CB C 29.8500 . 1 1139 108 108 GLU CG C 37.7000 . 1 1140 108 108 GLU N N 130.5910 . 1 1141 109 109 LYS H H 8.7610 . 1 1142 109 109 LYS HA H 3.8960 . 1 1143 109 109 LYS HB2 H 1.8900 . 2 1144 109 109 LYS HG2 H 1.4280 . 2 1145 109 109 LYS HG3 H 1.6030 . 2 1146 109 109 LYS HD2 H 1.6300 . 2 1147 109 109 LYS HE2 H 2.9100 . 2 1148 109 109 LYS C C 178.2880 . 1 1149 109 109 LYS CA C 59.1060 . 1 1150 109 109 LYS CB C 31.8960 . 1 1151 109 109 LYS CG C 24.6580 . 1 1152 109 109 LYS CD C 27.7840 . 1 1153 109 109 LYS CE C 41.9030 . 1 1154 109 109 LYS N N 125.4740 . 1 1155 110 110 GLY H H 8.7320 . 1 1156 110 110 GLY HA2 H 4.0570 . 2 1157 110 110 GLY HA3 H 3.9010 . 2 1158 110 110 GLY C C 175.9950 . 1 1159 110 110 GLY CA C 47.1110 . 1 1160 110 110 GLY N N 109.6270 . 1 1161 111 111 THR H H 9.2820 . 1 1162 111 111 THR HA H 4.4800 . 1 1163 111 111 THR HB H 4.2840 . 1 1164 111 111 THR HG2 H 1.3000 . 1 1165 111 111 THR C C 177.1150 . 1 1166 111 111 THR CA C 62.2590 . 1 1167 111 111 THR CB C 71.5440 . 1 1168 111 111 THR CG2 C 22.1920 . 1 1169 111 111 THR N N 110.9910 . 1 1170 112 112 GLY H H 8.4730 . 1 1171 112 112 GLY HA2 H 3.6030 . 2 1172 112 112 GLY HA3 H 4.1170 . 2 1173 112 112 GLY C C 174.6060 . 1 1174 112 112 GLY CA C 45.8430 . 1 1175 112 112 GLY N N 112.6730 . 1 1176 113 113 LYS H H 8.0730 . 1 1177 113 113 LYS HA H 4.2000 . 1 1178 113 113 LYS HB2 H 1.8610 . 2 1179 113 113 LYS HG2 H 1.5500 . 2 1180 113 113 LYS HG3 H 1.4950 . 2 1181 113 113 LYS HD2 H 1.6990 . 2 1182 113 113 LYS HE2 H 3.0740 . 2 1183 113 113 LYS C C 175.1980 . 1 1184 113 113 LYS CA C 57.6640 . 1 1185 113 113 LYS CB C 32.6440 . 1 1186 113 113 LYS CG C 25.5320 . 1 1187 113 113 LYS CD C 29.2270 . 1 1188 113 113 LYS CE C 42.2070 . 1 1189 113 113 LYS N N 122.8090 . 1 1190 114 114 SER H H 8.3640 . 1 1191 114 114 SER HA H 5.8730 . 1 1192 114 114 SER HB2 H 3.9050 . 2 1193 114 114 SER HB3 H 3.7400 . 2 1194 114 114 SER C C 174.0920 . 1 1195 114 114 SER CA C 56.7250 . 1 1196 114 114 SER CB C 68.4870 . 1 1197 114 114 SER N N 114.8730 . 1 1198 115 115 ASN H H 8.7370 . 1 1199 115 115 ASN HA H 4.9320 . 1 1200 115 115 ASN HB2 H 3.1420 . 2 1201 115 115 ASN HB3 H 2.6980 . 2 1202 115 115 ASN HD21 H 7.2540 . 2 1203 115 115 ASN HD22 H 8.1350 . 2 1204 115 115 ASN C C 171.7640 . 1 1205 115 115 ASN CA C 51.7360 . 1 1206 115 115 ASN CB C 40.8060 . 1 1207 115 115 ASN N N 116.2890 . 1 1208 115 115 ASN ND2 N 110.3590 . 1 1209 116 116 LYS H H 7.9800 . 1 1210 116 116 LYS HA H 4.7160 . 1 1211 116 116 LYS HB2 H 1.5780 . 2 1212 116 116 LYS HG2 H 0.9820 . 2 1213 116 116 LYS HG3 H 1.1290 . 2 1214 116 116 LYS HD2 H 1.4230 . 2 1215 116 116 LYS HE2 H 2.7550 . 2 1216 116 116 LYS C C 173.6130 . 1 1217 116 116 LYS CA C 54.9500 . 1 1218 116 116 LYS CB C 35.1070 . 1 1219 116 116 LYS CG C 22.6880 . 1 1220 116 116 LYS CD C 29.3790 . 1 1221 116 116 LYS CE C 42.0180 . 1 1222 116 116 LYS N N 118.1920 . 1 1223 117 117 ILE H H 8.4250 . 1 1224 117 117 ILE HA H 4.3780 . 1 1225 117 117 ILE HB H 1.4910 . 1 1226 117 117 ILE HG13 H 1.3610 . 2 1227 117 117 ILE HG2 H 0.6340 . 1 1228 117 117 ILE HD1 H 0.7600 . 1 1229 117 117 ILE C C 172.6250 . 1 1230 117 117 ILE CA C 60.3960 . 1 1231 117 117 ILE CB C 42.7020 . 1 1232 117 117 ILE CG1 C 26.8870 . 1 1233 117 117 ILE CG2 C 17.0240 . 1 1234 117 117 ILE CD1 C 14.2000 . 1 1235 117 117 ILE N N 115.9550 . 1 1236 118 118 THR H H 8.2860 . 1 1237 118 118 THR HA H 4.8280 . 1 1238 118 118 THR HB H 3.6490 . 1 1239 118 118 THR HG2 H 0.9740 . 1 1240 118 118 THR C C 173.6750 . 1 1241 118 118 THR CA C 61.9610 . 1 1242 118 118 THR CB C 70.5700 . 1 1243 118 118 THR CG2 C 22.0770 . 1 1244 118 118 THR N N 121.4510 . 1 1245 119 119 ILE H H 9.6090 . 1 1246 119 119 ILE HA H 4.2900 . 1 1247 119 119 ILE HB H 1.7770 . 1 1248 119 119 ILE HG12 H 0.9630 . 2 1249 119 119 ILE HG13 H 1.2410 . 2 1250 119 119 ILE HG2 H 0.9120 . 1 1251 119 119 ILE HD1 H 0.5060 . 1 1252 119 119 ILE C C 175.0340 . 1 1253 119 119 ILE CA C 60.0020 . 1 1254 119 119 ILE CB C 39.5950 . 1 1255 119 119 ILE CG1 C 27.4200 . 1 1256 119 119 ILE CG2 C 17.9280 . 1 1257 119 119 ILE CD1 C 13.5600 . 1 1258 119 119 ILE N N 130.2240 . 1 1259 120 120 THR H H 8.4900 . 1 1260 120 120 THR HA H 4.2830 . 1 1261 120 120 THR HB H 4.2830 . 1 1262 120 120 THR HG2 H 1.1740 . 1 1263 120 120 THR C C 173.7420 . 1 1264 120 120 THR CA C 61.6520 . 1 1265 120 120 THR CB C 69.2060 . 1 1266 120 120 THR CG2 C 21.7510 . 1 1267 120 120 THR N N 120.1230 . 1 1268 121 121 ASN H H 8.4210 . 1 1269 121 121 ASN HA H 4.8070 . 1 1270 121 121 ASN HB2 H 2.6260 . 2 1271 121 121 ASN HB3 H 2.7660 . 2 1272 121 121 ASN HD21 H 7.6120 . 2 1273 121 121 ASN HD22 H 6.8010 . 2 1274 121 121 ASN C C 174.7330 . 1 1275 121 121 ASN CA C 52.6760 . 1 1276 121 121 ASN CB C 38.9060 . 1 1277 121 121 ASN N N 120.1400 . 1 1278 121 121 ASN ND2 N 111.5820 . 1 1279 122 122 ASP H H 8.2970 . 1 1280 122 122 ASP HA H 4.5310 . 1 1281 122 122 ASP HB2 H 2.6450 . 2 1282 122 122 ASP C C 176.5670 . 1 1283 122 122 ASP CA C 54.5470 . 1 1284 122 122 ASP CB C 41.2810 . 1 1285 122 122 ASP N N 120.6250 . 1 1286 123 123 LYS H H 8.2690 . 1 1287 123 123 LYS HA H 4.2610 . 1 1288 123 123 LYS HB2 H 1.7760 . 2 1289 123 123 LYS HB3 H 1.8490 . 2 1290 123 123 LYS HG2 H 1.4210 . 2 1291 123 123 LYS HD2 H 1.6630 . 2 1292 123 123 LYS HE2 H 2.9770 . 2 1293 123 123 LYS C C 177.1450 . 1 1294 123 123 LYS CA C 57.1480 . 1 1295 123 123 LYS CB C 32.7890 . 1 1296 123 123 LYS CG C 24.6120 . 1 1297 123 123 LYS CD C 29.0610 . 1 1298 123 123 LYS CE C 42.2370 . 1 1299 123 123 LYS N N 121.3460 . 1 1300 124 124 GLY H H 8.5760 . 1 1301 124 124 GLY HA2 H 3.8910 . 2 1302 124 124 GLY C C 174.3850 . 1 1303 124 124 GLY CA C 45.4580 . 1 1304 124 124 GLY N N 109.3790 . 1 1305 125 125 ARG H H 7.6960 . 1 1306 125 125 ARG HA H 4.2690 . 1 1307 125 125 ARG HB2 H 1.8440 . 2 1308 125 125 ARG HB3 H 1.9360 . 2 1309 125 125 ARG HG2 H 1.6280 . 2 1310 125 125 ARG HG3 H 1.5100 . 2 1311 125 125 ARG HD2 H 3.1730 . 2 1312 125 125 ARG HE H 7.4160 . 1 1313 125 125 ARG C C 176.5970 . 1 1314 125 125 ARG CA C 56.0800 . 1 1315 125 125 ARG CB C 30.4990 . 1 1316 125 125 ARG CG C 27.1000 . 1 1317 125 125 ARG CD C 42.4500 . 1 1318 125 125 ARG N N 119.6470 . 1 1319 125 125 ARG NE N 83.1400 . 1 1320 126 126 LEU H H 8.4910 . 1 1321 126 126 LEU HA H 4.5560 . 1 1322 126 126 LEU HB2 H 1.6540 . 2 1323 126 126 LEU HB3 H 1.4300 . 2 1324 126 126 LEU HD1 H 0.8440 . 2 1325 126 126 LEU HD2 H 0.8470 . 2 1326 126 126 LEU C C 176.9620 . 1 1327 126 126 LEU CA C 54.3490 . 1 1328 126 126 LEU CB C 43.3990 . 1 1329 126 126 LEU CD1 C 23.2000 . 2 1330 126 126 LEU CD2 C 26.0200 . 2 1331 127 127 SER H H 9.1320 . 1 1332 127 127 SER HA H 4.5160 . 1 1333 127 127 SER HB2 H 4.3400 . 2 1334 127 127 SER HB3 H 4.0520 . 2 1335 127 127 SER C C 174.6710 . 1 1336 127 127 SER CA C 56.8450 . 1 1337 127 127 SER CB C 65.7730 . 1 1338 127 127 SER N N 118.8820 . 1 1339 128 128 LYS H H 8.8570 . 1 1340 128 128 LYS HA H 3.9510 . 1 1341 128 128 LYS HB2 H 1.9060 . 2 1342 128 128 LYS HB3 H 1.8000 . 2 1343 128 128 LYS HG2 H 1.4100 . 2 1344 128 128 LYS HG3 H 1.5030 . 2 1345 128 128 LYS HD2 H 1.6880 . 2 1346 128 128 LYS HE2 H 2.9820 . 2 1347 128 128 LYS C C 178.7720 . 1 1348 128 128 LYS CA C 60.1380 . 1 1349 128 128 LYS CB C 32.3000 . 1 1350 128 128 LYS CG C 24.7210 . 1 1351 128 128 LYS CD C 29.2880 . 1 1352 128 128 LYS CE C 42.2040 . 1 1353 128 128 LYS N N 121.3040 . 1 1354 129 129 GLU H H 8.6890 . 1 1355 129 129 GLU HA H 4.0630 . 1 1356 129 129 GLU HB2 H 2.0400 . 2 1357 129 129 GLU HB3 H 1.9250 . 2 1358 129 129 GLU HG2 H 2.2710 . 2 1359 129 129 GLU HG3 H 2.3930 . 2 1360 129 129 GLU C C 179.0680 . 1 1361 129 129 GLU CA C 60.1110 . 1 1362 129 129 GLU CB C 29.1530 . 1 1363 129 129 GLU CG C 37.2270 . 1 1364 129 129 GLU N N 118.3480 . 1 1365 130 130 ASP H H 7.9110 . 1 1366 130 130 ASP HA H 4.4680 . 1 1367 130 130 ASP HB2 H 2.9940 . 2 1368 130 130 ASP HB3 H 2.6300 . 2 1369 130 130 ASP C C 179.3970 . 1 1370 130 130 ASP CA C 57.4040 . 1 1371 130 130 ASP CB C 41.1180 . 1 1372 130 130 ASP N N 121.6760 . 1 1373 131 131 ILE H H 8.3070 . 1 1374 131 131 ILE HA H 3.6170 . 1 1375 131 131 ILE HB H 1.9660 . 1 1376 131 131 ILE HG12 H 1.7290 . 2 1377 131 131 ILE HG13 H 0.8900 . 2 1378 131 131 ILE HG2 H 0.8890 . 1 1379 131 131 ILE HD1 H 0.7880 . 1 1380 131 131 ILE C C 177.5240 . 1 1381 131 131 ILE CA C 65.7750 . 1 1382 131 131 ILE CB C 38.3260 . 1 1383 131 131 ILE CG1 C 29.7450 . 1 1384 131 131 ILE CG2 C 17.1310 . 1 1385 131 131 ILE CD1 C 13.6400 . 1 1386 131 131 ILE N N 122.5880 . 1 1387 132 132 GLU H H 8.1270 . 1 1388 132 132 GLU HA H 3.8960 . 1 1389 132 132 GLU HB2 H 2.0660 . 2 1390 132 132 GLU HG2 H 2.2570 . 2 1391 132 132 GLU C C 179.9670 . 1 1392 132 132 GLU CA C 59.7270 . 1 1393 132 132 GLU CB C 29.4200 . 1 1394 132 132 GLU CG C 36.5410 . 1 1395 132 132 GLU N N 118.1770 . 1 1396 133 133 LYS H H 7.8820 . 1 1397 133 133 LYS HA H 4.1350 . 1 1398 133 133 LYS HB2 H 1.9950 . 2 1399 133 133 LYS HG2 H 1.4340 . 2 1400 133 133 LYS HG3 H 1.6240 . 2 1401 133 133 LYS HD2 H 1.7270 . 2 1402 133 133 LYS HE2 H 2.9870 . 2 1403 133 133 LYS C C 178.7400 . 1 1404 133 133 LYS CA C 59.6310 . 1 1405 133 133 LYS CB C 32.5360 . 1 1406 133 133 LYS CG C 25.0380 . 1 1407 133 133 LYS CD C 29.5000 . 1 1408 133 133 LYS CE C 42.1610 . 1 1409 133 133 LYS N N 119.7450 . 1 1410 134 134 MET H H 8.0240 . 1 1411 134 134 MET HA H 4.2370 . 1 1412 134 134 MET HB2 H 2.3300 . 2 1413 134 134 MET HB3 H 2.3820 . 2 1414 134 134 MET HG2 H 2.6360 . 2 1415 134 134 MET HG3 H 2.7380 . 2 1416 134 134 MET HE H 2.2900 . 1 1417 134 134 MET C C 179.4330 . 1 1418 134 134 MET CA C 59.1210 . 1 1419 134 134 MET CB C 32.7400 . 1 1420 134 134 MET CG C 32.8490 . 1 1421 134 134 MET CE C 17.6590 . 1 1422 134 134 MET N N 120.1620 . 1 1423 135 135 VAL H H 8.5820 . 1 1424 135 135 VAL HA H 3.4500 . 1 1425 135 135 VAL HB H 2.0940 . 1 1426 135 135 VAL HG1 H 0.9850 . 2 1427 135 135 VAL HG2 H 0.9100 . 2 1428 135 135 VAL C C 178.1990 . 1 1429 135 135 VAL CA C 67.0320 . 1 1430 135 135 VAL CB C 31.8980 . 1 1431 135 135 VAL CG1 C 22.7860 . 2 1432 135 135 VAL CG2 C 20.9030 . 2 1433 135 135 VAL N N 121.1950 . 1 1434 136 136 ALA H H 8.0810 . 1 1435 136 136 ALA HA H 4.2090 . 1 1436 136 136 ALA HB H 1.5270 . 1 1437 136 136 ALA C C 181.4080 . 1 1438 136 136 ALA CA C 55.0300 . 1 1439 136 136 ALA CB C 18.0570 . 1 1440 136 136 ALA N N 122.1360 . 1 1441 137 137 GLU H H 8.4760 . 1 1442 137 137 GLU HA H 4.0550 . 1 1443 137 137 GLU HB2 H 2.1630 . 2 1444 137 137 GLU HB3 H 2.3020 . 2 1445 137 137 GLU HG2 H 2.3680 . 2 1446 137 137 GLU HG3 H 2.5640 . 2 1447 137 137 GLU C C 178.1160 . 1 1448 137 137 GLU CA C 59.4850 . 1 1449 137 137 GLU CB C 30.0380 . 1 1450 137 137 GLU CG C 37.4150 . 1 1451 137 137 GLU N N 119.9030 . 1 1452 138 138 ALA H H 7.9900 . 1 1453 138 138 ALA HA H 4.0190 . 1 1454 138 138 ALA HB H 1.5030 . 1 1455 138 138 ALA C C 180.1790 . 1 1456 138 138 ALA CA C 55.2280 . 1 1457 138 138 ALA CB C 18.5450 . 1 1458 138 138 ALA N N 120.2090 . 1 1459 139 139 GLU H H 7.7420 . 1 1460 139 139 GLU HA H 4.0790 . 1 1461 139 139 GLU HB2 H 2.1480 . 2 1462 139 139 GLU HB3 H 2.0650 . 2 1463 139 139 GLU HG2 H 2.2800 . 2 1464 139 139 GLU HG3 H 2.3750 . 2 1465 139 139 GLU C C 179.0410 . 1 1466 139 139 GLU CA C 58.8800 . 1 1467 139 139 GLU CB C 29.3940 . 1 1468 139 139 GLU CG C 36.5450 . 1 1469 139 139 GLU N N 117.1190 . 1 1470 140 140 LYS H H 7.7950 . 1 1471 140 140 LYS HA H 3.9500 . 1 1472 140 140 LYS HB2 H 1.6310 . 2 1473 140 140 LYS HB3 H 1.7060 . 2 1474 140 140 LYS HG2 H 0.7630 . 2 1475 140 140 LYS HG3 H 1.1840 . 2 1476 140 140 LYS HD2 H 1.4450 . 2 1477 140 140 LYS HD3 H 1.4800 . 2 1478 140 140 LYS HE2 H 2.7620 . 2 1479 140 140 LYS HE3 H 2.7300 . 2 1480 140 140 LYS C C 178.2150 . 1 1481 140 140 LYS CA C 58.8930 . 1 1482 140 140 LYS CB C 32.2500 . 1 1483 140 140 LYS CG C 24.5670 . 1 1484 140 140 LYS CD C 29.2790 . 1 1485 140 140 LYS CE C 42.1430 . 1 1486 140 140 LYS N N 120.5880 . 1 1487 141 141 PHE H H 7.7300 . 1 1488 141 141 PHE HA H 4.8820 . 1 1489 141 141 PHE HB2 H 3.5640 . 2 1490 141 141 PHE HB3 H 2.5490 . 2 1491 141 141 PHE HD1 H 7.3010 . 3 1492 141 141 PHE HE1 H 6.7550 . 3 1493 141 141 PHE C C 175.1380 . 1 1494 141 141 PHE CA C 58.1760 . 1 1495 141 141 PHE CB C 39.0430 . 1 1496 141 141 PHE CD1 C 131.8950 . 1 1497 141 141 PHE CE1 C 132.4000 . 1 1498 141 141 PHE N N 115.8640 . 1 1499 142 142 LYS H H 7.2190 . 1 1500 142 142 LYS HA H 4.1550 . 1 1501 142 142 LYS HB2 H 1.8850 . 2 1502 142 142 LYS HB3 H 2.1110 . 2 1503 142 142 LYS HG2 H 1.4590 . 2 1504 142 142 LYS HD2 H 1.7300 . 2 1505 142 142 LYS HE2 H 2.9810 . 2 1506 142 142 LYS C C 178.3180 . 1 1507 142 142 LYS CA C 60.3310 . 1 1508 142 142 LYS CB C 32.8090 . 1 1509 142 142 LYS CG C 24.3050 . 1 1510 142 142 LYS CD C 29.6000 . 1 1511 142 142 LYS CE C 42.1360 . 1 1512 142 142 LYS N N 121.8750 . 1 1513 143 143 GLU H H 8.6520 . 1 1514 143 143 GLU HA H 4.1190 . 1 1515 143 143 GLU HB2 H 2.0520 . 2 1516 143 143 GLU HG2 H 2.2530 . 2 1517 143 143 GLU C C 179.0950 . 1 1518 143 143 GLU CA C 59.5140 . 1 1519 143 143 GLU CB C 29.2420 . 1 1520 143 143 GLU CG C 36.6330 . 1 1521 143 143 GLU N N 118.5090 . 1 1522 144 144 GLU H H 8.3840 . 1 1523 144 144 GLU HA H 4.0950 . 1 1524 144 144 GLU HB2 H 2.1570 . 2 1525 144 144 GLU HG2 H 2.4100 . 2 1526 144 144 GLU C C 179.0630 . 1 1527 144 144 GLU CA C 59.3920 . 1 1528 144 144 GLU CB C 29.4950 . 1 1529 144 144 GLU CG C 36.5270 . 1 1530 144 144 GLU N N 120.9370 . 1 1531 145 145 ASP H H 8.8120 . 1 1532 145 145 ASP HA H 4.3980 . 1 1533 145 145 ASP HB2 H 2.6770 . 2 1534 145 145 ASP HB3 H 3.0200 . 2 1535 145 145 ASP C C 178.6890 . 1 1536 145 145 ASP CA C 56.7720 . 1 1537 145 145 ASP CB C 40.1440 . 1 1538 145 145 ASP N N 120.9090 . 1 1539 146 146 GLU H H 8.3440 . 1 1540 146 146 GLU HA H 4.0960 . 1 1541 146 146 GLU HB2 H 2.0680 . 2 1542 146 146 GLU HB3 H 2.1470 . 2 1543 146 146 GLU HG2 H 2.4090 . 2 1544 146 146 GLU HG3 H 2.2580 . 2 1545 146 146 GLU C C 178.7990 . 1 1546 146 146 GLU CA C 59.0830 . 1 1547 146 146 GLU CB C 29.3910 . 1 1548 146 146 GLU CG C 36.6640 . 1 1549 146 146 GLU N N 121.1000 . 1 1550 147 147 LYS H H 7.8190 . 1 1551 147 147 LYS HA H 4.0670 . 1 1552 147 147 LYS HB2 H 1.9260 . 2 1553 147 147 LYS HG2 H 1.4630 . 2 1554 147 147 LYS HG3 H 1.6160 . 2 1555 147 147 LYS HD2 H 1.7000 . 2 1556 147 147 LYS HE2 H 2.9830 . 2 1557 147 147 LYS C C 179.2630 . 1 1558 147 147 LYS CA C 58.9490 . 1 1559 147 147 LYS CB C 32.4830 . 1 1560 147 147 LYS CG C 24.9870 . 1 1561 147 147 LYS CD C 29.1810 . 1 1562 147 147 LYS CE C 42.1270 . 1 1563 147 147 LYS N N 119.5640 . 1 1564 148 148 GLU H H 8.0420 . 1 1565 148 148 GLU HA H 4.1830 . 1 1566 148 148 GLU HB2 H 2.0670 . 2 1567 148 148 GLU HG2 H 2.2940 . 2 1568 148 148 GLU C C 178.6080 . 1 1569 148 148 GLU CA C 58.1920 . 1 1570 148 148 GLU CB C 29.4650 . 1 1571 148 148 GLU CG C 36.2590 . 1 1572 148 148 GLU N N 119.0950 . 1 1573 149 149 SER H H 8.2100 . 1 1574 149 149 SER HA H 4.1960 . 1 1575 149 149 SER HB2 H 3.9430 . 2 1576 149 149 SER HB3 H 3.9950 . 2 1577 149 149 SER C C 175.8630 . 1 1578 149 149 SER CA C 60.8170 . 1 1579 149 149 SER CB C 63.1640 . 1 1580 149 149 SER N N 114.9000 . 1 1581 150 150 GLN H H 7.8330 . 1 1582 150 150 GLN HA H 4.2380 . 1 1583 150 150 GLN HB2 H 2.1710 . 2 1584 150 150 GLN HB3 H 2.0450 . 2 1585 150 150 GLN HG2 H 2.4310 . 2 1586 150 150 GLN HG3 H 2.5230 . 2 1587 150 150 GLN HE21 H 7.5260 . 2 1588 150 150 GLN HE22 H 6.8340 . 2 1589 150 150 GLN C C 176.6930 . 1 1590 150 150 GLN CA C 56.8600 . 1 1591 150 150 GLN CB C 28.6780 . 1 1592 150 150 GLN CG C 33.9820 . 1 1593 150 150 GLN N N 119.1690 . 1 1594 150 150 GLN NE2 N 112.0490 . 1 1595 151 151 ARG H H 7.6810 . 1 1596 151 151 ARG HA H 4.1970 . 1 1597 151 151 ARG HB2 H 1.9180 . 2 1598 151 151 ARG HB3 H 1.8470 . 2 1599 151 151 ARG HG2 H 1.7050 . 2 1600 151 151 ARG HG3 H 1.6200 . 2 1601 151 151 ARG HD2 H 3.1980 . 2 1602 151 151 ARG C C 176.5660 . 1 1603 151 151 ARG CA C 57.4300 . 1 1604 151 151 ARG CB C 30.6110 . 1 1605 151 151 ARG CG C 27.4670 . 1 1606 151 151 ARG CD C 43.4060 . 1 1607 151 151 ARG N N 119.0920 . 1 1608 152 152 ILE H H 7.6800 . 1 1609 152 152 ILE HA H 4.0860 . 1 1610 152 152 ILE HB H 1.8790 . 1 1611 152 152 ILE HG12 H 1.4780 . 2 1612 152 152 ILE HG13 H 1.1860 . 2 1613 152 152 ILE HG2 H 0.9120 . 1 1614 152 152 ILE HD1 H 0.7900 . 1 1615 152 152 ILE C C 175.8320 . 1 1616 152 152 ILE CA C 61.0910 . 1 1617 152 152 ILE CB C 38.3940 . 1 1618 152 152 ILE CG1 C 27.2920 . 1 1619 152 152 ILE CG2 C 17.6680 . 1 1620 152 152 ILE CD1 C 12.8300 . 1 1621 152 152 ILE N N 119.7620 . 1 1622 153 153 ALA H H 8.2950 . 1 1623 153 153 ALA HA H 4.3030 . 1 1624 153 153 ALA HB H 1.4130 . 1 1625 153 153 ALA C C 177.6990 . 1 1626 153 153 ALA CA C 53.1170 . 1 1627 153 153 ALA CB C 18.9540 . 1 1628 153 153 ALA N N 127.3140 . 1 1629 154 154 SER H H 8.0800 . 1 1630 154 154 SER HA H 4.4590 . 1 1631 154 154 SER HB2 H 3.8930 . 2 1632 154 154 SER C C 174.5460 . 1 1633 154 154 SER CA C 58.2490 . 1 1634 154 154 SER CB C 63.9500 . 1 1635 154 154 SER N N 114.4040 . 1 1636 155 155 LYS H H 8.4630 . 1 1637 155 155 LYS HA H 4.3950 . 1 1638 155 155 LYS HB2 H 1.9100 . 2 1639 155 155 LYS HB3 H 1.7100 . 2 1640 155 155 LYS HG2 H 1.4230 . 2 1641 155 155 LYS HD2 H 1.6670 . 2 1642 155 155 LYS HE2 H 2.9830 . 2 1643 155 155 LYS C C 175.7970 . 1 1644 155 155 LYS CA C 56.0520 . 1 1645 155 155 LYS CB C 32.9940 . 1 1646 155 155 LYS CG C 24.7530 . 1 1647 155 155 LYS CD C 29.0410 . 1 1648 155 155 LYS CE C 42.1930 . 1 1649 155 155 LYS N N 122.4230 . 1 1650 156 156 ASN H H 8.7720 . 1 1651 156 156 ASN HA H 4.5510 . 1 1652 156 156 ASN HB2 H 2.8460 . 2 1653 156 156 ASN HD21 H 6.6020 . 2 1654 156 156 ASN HD22 H 6.8020 . 2 1655 156 156 ASN C C 173.9780 . 1 1656 156 156 ASN CA C 53.8160 . 1 1657 156 156 ASN CB C 36.9610 . 1 1658 156 156 ASN N N 117.4590 . 1 1659 156 156 ASN ND2 N 109.6000 . 1 1660 157 157 GLN H H 8.5470 . 1 1661 157 157 GLN HA H 4.7240 . 1 1662 157 157 GLN HB2 H 2.1950 . 2 1663 157 157 GLN HB3 H 1.6450 . 2 1664 157 157 GLN HG2 H 2.1880 . 2 1665 157 157 GLN HG3 H 2.4380 . 2 1666 157 157 GLN HE21 H 6.6940 . 2 1667 157 157 GLN HE22 H 7.5820 . 2 1668 157 157 GLN C C 174.8240 . 1 1669 157 157 GLN CA C 55.0970 . 1 1670 157 157 GLN CB C 31.0660 . 1 1671 157 157 GLN CG C 34.5070 . 1 1672 157 157 GLN N N 117.4050 . 1 1673 157 157 GLN NE2 N 108.6860 . 1 1674 158 158 LEU H H 9.0000 . 1 1675 158 158 LEU HA H 4.9120 . 1 1676 158 158 LEU HB2 H 1.3830 . 2 1677 158 158 LEU HB3 H 1.8340 . 2 1678 158 158 LEU HG H 1.7100 . 1 1679 158 158 LEU HD1 H 0.7600 . 2 1680 158 158 LEU HD2 H 0.4800 . 2 1681 158 158 LEU C C 174.7960 . 1 1682 158 158 LEU CA C 53.0260 . 1 1683 158 158 LEU CB C 44.4190 . 1 1684 158 158 LEU CG C 26.7000 . 1 1685 158 158 LEU CD1 C 24.2000 . 2 1686 158 158 LEU CD2 C 25.6000 . 2 1687 158 158 LEU N N 120.9970 . 1 1688 159 159 GLU H H 8.0380 . 1 1689 159 159 GLU HA H 4.6540 . 1 1690 159 159 GLU HB2 H 2.3500 . 2 1691 159 159 GLU HG2 H 2.3300 . 2 1692 159 159 GLU C C 175.6310 . 1 1693 159 159 GLU CA C 56.6060 . 1 1694 159 159 GLU CB C 32.1450 . 1 1695 159 159 GLU CG C 36.0360 . 1 1696 160 160 SER H H 8.6710 . 1 1697 160 160 SER HA H 4.3210 . 1 1698 160 160 SER HB2 H 3.7690 . 2 1699 160 160 SER HB3 H 3.9550 . 2 1700 160 160 SER C C 173.6830 . 1 1701 160 160 SER CA C 58.3110 . 1 1702 160 160 SER CB C 64.4770 . 1 1703 160 160 SER N N 112.9330 . 1 1704 161 161 ILE H H 7.5190 . 1 1705 161 161 ILE HA H 4.2040 . 1 1706 161 161 ILE HB H 1.6940 . 1 1707 161 161 ILE HG12 H 1.3190 . 2 1708 161 161 ILE HG13 H 1.0090 . 2 1709 161 161 ILE HG2 H 0.7730 . 1 1710 161 161 ILE HD1 H 0.7570 . 1 1711 161 161 ILE C C 174.6110 . 1 1712 161 161 ILE CA C 60.1970 . 1 1713 161 161 ILE CB C 40.8840 . 1 1714 161 161 ILE CG1 C 27.0070 . 1 1715 161 161 ILE CG2 C 17.2500 . 1 1716 161 161 ILE CD1 C 13.7730 . 1 1717 161 161 ILE N N 118.1810 . 1 1718 162 162 ALA H H 8.1940 . 1 1719 162 162 ALA HA H 4.1040 . 1 1720 162 162 ALA HB H 1.2740 . 1 1721 162 162 ALA C C 177.3570 . 1 1722 162 162 ALA CA C 52.2900 . 1 1723 162 162 ALA CB C 19.2830 . 1 1724 162 162 ALA N N 127.1460 . 1 1725 163 163 TYR H H 8.8830 . 1 1726 163 163 TYR HA H 4.1940 . 1 1727 163 163 TYR HB2 H 3.0040 . 2 1728 163 163 TYR HB3 H 2.8050 . 2 1729 163 163 TYR HD1 H 7.0650 . 3 1730 163 163 TYR HE1 H 6.7520 . 3 1731 163 163 TYR C C 176.9590 . 1 1732 163 163 TYR CA C 60.4150 . 1 1733 163 163 TYR CB C 38.0720 . 1 1734 163 163 TYR CD1 C 133.0470 . 1 1735 163 163 TYR CE1 C 118.0800 . 1 1736 163 163 TYR N N 124.3770 . 1 1737 164 164 SER H H 8.3640 . 1 1738 164 164 SER HA H 4.1770 . 1 1739 164 164 SER HB2 H 3.7870 . 2 1740 164 164 SER C C 174.5870 . 1 1741 164 164 SER CA C 58.7780 . 1 1742 164 164 SER CB C 63.4670 . 1 1743 164 164 SER N N 115.4180 . 1 1744 165 165 LEU H H 7.8140 . 1 1745 165 165 LEU HA H 4.2890 . 1 1746 165 165 LEU HB2 H 1.5770 . 2 1747 165 165 LEU HB3 H 1.6180 . 2 1748 165 165 LEU HG H 1.5720 . 1 1749 165 165 LEU HD1 H 0.8400 . 2 1750 165 165 LEU HD2 H 0.9010 . 2 1751 165 165 LEU C C 177.5190 . 1 1752 165 165 LEU CA C 55.1510 . 1 1753 165 165 LEU CB C 42.1500 . 1 1754 165 165 LEU CG C 26.9350 . 1 1755 165 165 LEU CD1 C 23.5840 . 2 1756 165 165 LEU CD2 C 24.8760 . 2 1757 165 165 LEU N N 123.1860 . 1 1758 166 166 LYS H H 7.9300 . 1 1759 166 166 LYS HA H 4.1150 . 1 1760 166 166 LYS HB2 H 1.6900 . 2 1761 166 166 LYS HB3 H 1.6260 . 2 1762 166 166 LYS HG2 H 1.3700 . 2 1763 166 166 LYS HG3 H 1.2870 . 2 1764 166 166 LYS HD2 H 1.6060 . 2 1765 166 166 LYS HE2 H 2.9780 . 2 1766 166 166 LYS C C 176.4070 . 1 1767 166 166 LYS CA C 57.0080 . 1 1768 166 166 LYS CB C 32.7400 . 1 1769 166 166 LYS CG C 24.7760 . 1 1770 166 166 LYS CD C 29.0650 . 1 1771 166 166 LYS CE C 42.0830 . 1 1772 166 166 LYS N N 121.4040 . 1 1773 167 167 ASN H H 8.2710 . 1 1774 167 167 ASN HA H 4.6780 . 1 1775 167 167 ASN HB2 H 2.6490 . 2 1776 167 167 ASN HB3 H 2.7650 . 2 1777 167 167 ASN HD21 H 6.7840 . 2 1778 167 167 ASN HD22 H 7.4990 . 2 1779 167 167 ASN C C 175.2500 . 1 1780 167 167 ASN CA C 53.3950 . 1 1781 167 167 ASN CB C 38.8280 . 1 1782 167 167 ASN N N 118.8800 . 1 1783 167 167 ASN ND2 N 112.7050 . 1 1784 168 168 THR H H 7.9920 . 1 1785 168 168 THR HA H 4.2970 . 1 1786 168 168 THR HB H 4.2000 . 1 1787 168 168 THR HG2 H 1.1620 . 1 1788 168 168 THR C C 174.5440 . 1 1789 168 168 THR CA C 62.0570 . 1 1790 168 168 THR CB C 69.8670 . 1 1791 168 168 THR CG2 C 21.5920 . 1 1792 168 168 THR N N 114.3070 . 1 1793 169 169 ILE H H 8.1110 . 1 1794 169 169 ILE HA H 4.1860 . 1 1795 169 169 ILE HB H 1.8650 . 1 1796 169 169 ILE HG12 H 1.4420 . 2 1797 169 169 ILE HG13 H 1.1530 . 2 1798 169 169 ILE HG2 H 0.8900 . 1 1799 169 169 ILE HD1 H 0.8190 . 1 1800 169 169 ILE C C 176.2370 . 1 1801 169 169 ILE CA C 61.2370 . 1 1802 169 169 ILE CB C 38.6360 . 1 1803 169 169 ILE CG1 C 27.1970 . 1 1804 169 169 ILE CG2 C 17.5550 . 1 1805 169 169 ILE CD1 C 12.9910 . 1 1806 169 169 ILE N N 122.9240 . 1 1807 170 170 SER H H 8.3410 . 1 1808 170 170 SER HA H 4.4520 . 1 1809 170 170 SER HB2 H 3.8580 . 2 1810 170 170 SER C C 174.5590 . 1 1811 170 170 SER CA C 58.2060 . 1 1812 170 170 SER CB C 63.8730 . 1 1813 170 170 SER N N 119.7580 . 1 1814 171 171 GLU H H 8.4630 . 1 1815 171 171 GLU HA H 4.2820 . 1 1816 171 171 GLU HB2 H 1.9190 . 2 1817 171 171 GLU HB3 H 2.0730 . 2 1818 171 171 GLU HG2 H 2.2480 . 2 1819 171 171 GLU C C 176.0460 . 1 1820 171 171 GLU CA C 56.7340 . 1 1821 171 171 GLU CB C 30.1980 . 1 1822 171 171 GLU CG C 36.3790 . 1 1823 171 171 GLU N N 123.4140 . 1 1824 172 172 ALA H H 8.2580 . 1 1825 172 172 ALA HA H 4.3220 . 1 1826 172 172 ALA HB H 1.3730 . 1 1827 172 172 ALA C C 177.0790 . 1 1828 172 172 ALA CA C 52.4650 . 1 1829 172 172 ALA CB C 19.3980 . 1 1830 172 172 ALA N N 124.8860 . 1 1831 173 173 GLY H H 7.8990 . 1 1832 173 173 GLY HA2 H 3.7210 . 2 1833 173 173 GLY CA C 46.2190 . 1 1834 173 173 GLY N N 114.4890 . 1 stop_ save_