data_36162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SBDalpha domain of yeast Ssa1 ; _BMRB_accession_number 36162 _BMRB_flat_file_name bmr36162.str _Entry_type original _Submission_date 2018-02-01 _Accession_date 2018-09-26 _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 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" 524 "13C chemical shifts" 405 "15N chemical shifts" 107 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 2018-09-26 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 10788.742 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; SKEEDEKESQRIASKNQLES IAYSLKNTISEAGDKLEQAD KDTVTKKAEETISWLDSNTT ASKEEFDDKLKELQDIANPI MSKLYQAGGAPGGAAGGAPG G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 LYS 3 3 GLU 4 4 GLU 5 5 ASP 6 6 GLU 7 7 LYS 8 8 GLU 9 9 SER 10 10 GLN 11 11 ARG 12 12 ILE 13 13 ALA 14 14 SER 15 15 LYS 16 16 ASN 17 17 GLN 18 18 LEU 19 19 GLU 20 20 SER 21 21 ILE 22 22 ALA 23 23 TYR 24 24 SER 25 25 LEU 26 26 LYS 27 27 ASN 28 28 THR 29 29 ILE 30 30 SER 31 31 GLU 32 32 ALA 33 33 GLY 34 34 ASP 35 35 LYS 36 36 LEU 37 37 GLU 38 38 GLN 39 39 ALA 40 40 ASP 41 41 LYS 42 42 ASP 43 43 THR 44 44 VAL 45 45 THR 46 46 LYS 47 47 LYS 48 48 ALA 49 49 GLU 50 50 GLU 51 51 THR 52 52 ILE 53 53 SER 54 54 TRP 55 55 LEU 56 56 ASP 57 57 SER 58 58 ASN 59 59 THR 60 60 THR 61 61 ALA 62 62 SER 63 63 LYS 64 64 GLU 65 65 GLU 66 66 PHE 67 67 ASP 68 68 ASP 69 69 LYS 70 70 LEU 71 71 LYS 72 72 GLU 73 73 LEU 74 74 GLN 75 75 ASP 76 76 ILE 77 77 ALA 78 78 ASN 79 79 PRO 80 80 ILE 81 81 MET 82 82 SER 83 83 LYS 84 84 LEU 85 85 TYR 86 86 GLN 87 87 ALA 88 88 GLY 89 89 GLY 90 90 ALA 91 91 PRO 92 92 GLY 93 93 GLY 94 94 ALA 95 95 ALA 96 96 GLY 97 97 GLY 98 98 ALA 99 99 PRO 100 100 GLY 101 101 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 '1.0 mM [U-13C; U-15N] Ssa1 SBDalpha, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 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 Bruker _Model Avance _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_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 external indirect . . . 0.101329118 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.251449530 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' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HN(CA)CO' '3D HNCO' 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 1 1 SER HA H 4.2700 . 1 2 1 1 SER HB2 H 4.0900 . 2 3 1 1 SER HB3 H 4.2700 . 2 4 1 1 SER CA C 56.8800 . 1 5 1 1 SER CB C 63.7970 . 1 6 2 2 LYS HA H 4.2670 . 1 7 2 2 LYS HB2 H 1.8960 . 2 8 2 2 LYS HG2 H 1.4950 . 2 9 2 2 LYS HG3 H 1.4360 . 2 10 2 2 LYS HD2 H 1.7370 . 2 11 2 2 LYS HE2 H 3.0260 . 2 12 2 2 LYS C C 177.8520 . 1 13 2 2 LYS CA C 58.7910 . 1 14 2 2 LYS CB C 32.4390 . 1 15 2 2 LYS CG C 24.7100 . 1 16 2 2 LYS CD C 29.2620 . 1 17 2 2 LYS CE C 42.2320 . 1 18 3 3 GLU H H 8.9400 . 1 19 3 3 GLU HA H 4.1620 . 1 20 3 3 GLU HB2 H 1.9980 . 2 21 3 3 GLU HB3 H 2.0970 . 2 22 3 3 GLU HG2 H 2.3050 . 2 23 3 3 GLU HG3 H 2.4140 . 2 24 3 3 GLU C C 179.1030 . 1 25 3 3 GLU CA C 59.5740 . 1 26 3 3 GLU CB C 29.1740 . 1 27 3 3 GLU CG C 36.5130 . 1 28 3 3 GLU N N 120.2480 . 1 29 4 4 GLU H H 7.9630 . 1 30 4 4 GLU HA H 4.1290 . 1 31 4 4 GLU HB2 H 2.1260 . 2 32 4 4 GLU HG2 H 2.3450 . 2 33 4 4 GLU HG3 H 2.3160 . 2 34 4 4 GLU C C 178.8110 . 1 35 4 4 GLU CA C 58.7230 . 1 36 4 4 GLU CB C 29.5880 . 1 37 4 4 GLU CG C 36.7880 . 1 38 4 4 GLU N N 120.4330 . 1 39 5 5 ASP H H 8.2330 . 1 40 5 5 ASP HA H 4.5200 . 1 41 5 5 ASP HB2 H 2.8650 . 2 42 5 5 ASP HB3 H 2.7990 . 2 43 5 5 ASP C C 178.7110 . 1 44 5 5 ASP CA C 56.7070 . 1 45 5 5 ASP CB C 40.2400 . 1 46 5 5 ASP N N 122.2970 . 1 47 6 6 GLU H H 8.4760 . 1 48 6 6 GLU HA H 4.1580 . 1 49 6 6 GLU HB2 H 2.0720 . 2 50 6 6 GLU HB3 H 1.9910 . 2 51 6 6 GLU HG2 H 2.4100 . 2 52 6 6 GLU HG3 H 2.3170 . 2 53 6 6 GLU C C 178.5920 . 1 54 6 6 GLU CA C 59.2000 . 1 55 6 6 GLU CB C 29.4400 . 1 56 6 6 GLU CG C 36.8680 . 1 57 6 6 GLU N N 122.5970 . 1 58 7 7 LYS H H 7.9720 . 1 59 7 7 LYS HA H 4.1060 . 1 60 7 7 LYS HB2 H 2.0300 . 2 61 7 7 LYS HG2 H 1.5600 . 2 62 7 7 LYS HG3 H 1.6800 . 2 63 7 7 LYS HD2 H 1.7480 . 2 64 7 7 LYS HE2 H 3.0450 . 2 65 7 7 LYS C C 179.8850 . 1 66 7 7 LYS CA C 59.6810 . 1 67 7 7 LYS CB C 32.3340 . 1 68 7 7 LYS CG C 25.3760 . 1 69 7 7 LYS CD C 29.6850 . 1 70 7 7 LYS CE C 42.2150 . 1 71 7 7 LYS N N 120.2800 . 1 72 8 8 GLU H H 8.1700 . 1 73 8 8 GLU HA H 4.7810 . 1 74 8 8 GLU HB2 H 2.1700 . 2 75 8 8 GLU HB3 H 2.0440 . 2 76 8 8 GLU HG2 H 2.5330 . 2 77 8 8 GLU HG3 H 2.3340 . 2 78 8 8 GLU C C 178.3540 . 1 79 8 8 GLU CA C 58.2070 . 1 80 8 8 GLU CB C 28.5350 . 1 81 8 8 GLU CG C 33.9950 . 1 82 8 8 GLU N N 122.2270 . 1 83 9 9 SER H H 8.3960 . 1 84 9 9 SER HA H 4.0500 . 1 85 9 9 SER HB2 H 4.2530 . 2 86 9 9 SER HB3 H 4.3480 . 2 87 9 9 SER C C 178.2440 . 1 88 9 9 SER CA C 62.5090 . 1 89 9 9 SER CB C 62.1660 . 1 90 9 9 SER N N 115.9380 . 1 91 10 10 GLN H H 8.1180 . 1 92 10 10 GLN HA H 4.2090 . 1 93 10 10 GLN HB2 H 2.2940 . 2 94 10 10 GLN HB3 H 2.0860 . 2 95 10 10 GLN HG2 H 2.6920 . 2 96 10 10 GLN HG3 H 2.4970 . 2 97 10 10 GLN HE21 H 7.6300 . 2 98 10 10 GLN HE22 H 6.8470 . 2 99 10 10 GLN C C 178.2280 . 1 100 10 10 GLN CA C 58.7830 . 1 101 10 10 GLN CB C 28.4950 . 1 102 10 10 GLN CG C 34.1330 . 1 103 10 10 GLN N N 121.1130 . 1 104 10 10 GLN NE2 N 112.0410 . 1 105 11 11 ARG H H 8.1620 . 1 106 11 11 ARG HA H 3.9100 . 1 107 11 11 ARG HB2 H 2.4560 . 2 108 11 11 ARG HB3 H 2.0870 . 2 109 11 11 ARG HG2 H 1.6880 . 2 110 11 11 ARG HG3 H 1.8360 . 2 111 11 11 ARG HD2 H 4.1600 . 2 112 11 11 ARG HD3 H 3.0260 . 2 113 11 11 ARG HE H 9.0960 . 1 114 11 11 ARG C C 178.0780 . 1 115 11 11 ARG CA C 61.0850 . 1 116 11 11 ARG CB C 31.9140 . 1 117 11 11 ARG CG C 28.8220 . 1 118 11 11 ARG CD C 42.6610 . 1 119 11 11 ARG N N 124.2010 . 1 120 11 11 ARG NE N 85.0350 . 1 121 12 12 ILE H H 8.5350 . 1 122 12 12 ILE HA H 3.6670 . 1 123 12 12 ILE HB H 2.0680 . 1 124 12 12 ILE HG13 H 1.5650 . 2 125 12 12 ILE HG2 H 0.9280 . 1 126 12 12 ILE HD1 H 0.8140 . 1 127 12 12 ILE C C 178.0360 . 1 128 12 12 ILE CA C 62.6860 . 1 129 12 12 ILE CB C 36.8040 . 1 130 12 12 ILE CG1 C 28.0540 . 1 131 12 12 ILE CG2 C 17.7620 . 1 132 12 12 ILE CD1 C 10.9540 . 1 133 12 12 ILE N N 118.8630 . 1 134 13 13 ALA H H 8.0890 . 1 135 13 13 ALA HA H 4.2150 . 1 136 13 13 ALA HB H 1.5700 . 1 137 13 13 ALA C C 181.4740 . 1 138 13 13 ALA CA C 55.6470 . 1 139 13 13 ALA CB C 17.7060 . 1 140 13 13 ALA N N 122.6640 . 1 141 14 14 SER H H 7.9120 . 1 142 14 14 SER HA H 4.3260 . 1 143 14 14 SER HB2 H 4.1890 . 2 144 14 14 SER CA C 64.0340 . 1 145 14 14 SER CB C 63.2210 . 1 146 14 14 SER N N 116.8010 . 1 147 15 15 LYS H H 7.9210 . 1 148 15 15 LYS HA H 2.8350 . 1 149 15 15 LYS HB2 H 1.6330 . 2 150 15 15 LYS HB3 H 0.8710 . 2 151 15 15 LYS HG2 H 1.1700 . 2 152 15 15 LYS HG3 H 0.8210 . 2 153 15 15 LYS HD2 H 1.5040 . 2 154 15 15 LYS HD3 H 1.6140 . 2 155 15 15 LYS HE2 H 2.8670 . 2 156 15 15 LYS HE3 H 2.9770 . 2 157 15 15 LYS C C 177.4770 . 1 158 15 15 LYS CA C 60.5810 . 1 159 15 15 LYS CB C 31.7230 . 1 160 15 15 LYS CG C 24.4880 . 1 161 15 15 LYS CD C 29.5130 . 1 162 15 15 LYS CE C 41.9940 . 1 163 15 15 LYS N N 126.6560 . 1 164 16 16 ASN H H 8.7580 . 1 165 16 16 ASN HA H 4.4410 . 1 166 16 16 ASN HB2 H 2.8550 . 2 167 16 16 ASN HD21 H 7.5140 . 2 168 16 16 ASN HD22 H 6.8110 . 2 169 16 16 ASN C C 178.7640 . 1 170 16 16 ASN CA C 55.4640 . 1 171 16 16 ASN CB C 37.6460 . 1 172 16 16 ASN N N 116.6070 . 1 173 16 16 ASN ND2 N 111.1330 . 1 174 17 17 GLN H H 8.2570 . 1 175 17 17 GLN HA H 4.1910 . 1 176 17 17 GLN HB2 H 2.2440 . 2 177 17 17 GLN HB3 H 2.1630 . 2 178 17 17 GLN HG2 H 2.3970 . 2 179 17 17 GLN HE21 H 7.5280 . 2 180 17 17 GLN HE22 H 6.8730 . 2 181 17 17 GLN C C 177.0150 . 1 182 17 17 GLN CA C 59.1000 . 1 183 17 17 GLN CB C 28.9310 . 1 184 17 17 GLN CG C 34.1960 . 1 185 17 17 GLN N N 122.2980 . 1 186 17 17 GLN NE2 N 111.5870 . 1 187 18 18 LEU H H 7.7400 . 1 188 18 18 LEU HA H 4.0970 . 1 189 18 18 LEU HB2 H 2.2320 . 2 190 18 18 LEU HB3 H 1.6700 . 2 191 18 18 LEU HG H 1.3900 . 1 192 18 18 LEU HD1 H 0.9340 . 1 193 18 18 LEU C C 177.1380 . 1 194 18 18 LEU CA C 58.5710 . 1 195 18 18 LEU CB C 41.5830 . 1 196 18 18 LEU CG C 27.6140 . 1 197 18 18 LEU CD1 C 23.4330 . 2 198 18 18 LEU CD2 C 27.6140 . 2 199 18 18 LEU N N 120.3290 . 1 200 19 19 GLU H H 8.2490 . 1 201 19 19 GLU HA H 3.6360 . 1 202 19 19 GLU HB2 H 2.1810 . 2 203 19 19 GLU HG2 H 2.3730 . 2 204 19 19 GLU HG3 H 2.3100 . 2 205 19 19 GLU C C 177.6680 . 1 206 19 19 GLU CA C 60.4390 . 1 207 19 19 GLU CB C 30.7740 . 1 208 19 19 GLU CG C 37.0540 . 1 209 19 19 GLU N N 117.6720 . 1 210 20 20 SER H H 8.3560 . 1 211 20 20 SER HA H 4.2990 . 1 212 20 20 SER HB2 H 4.0340 . 2 213 20 20 SER C C 177.6420 . 1 214 20 20 SER CA C 61.7080 . 1 215 20 20 SER CB C 63.1800 . 1 216 20 20 SER N N 112.1220 . 1 217 21 21 ILE H H 8.4850 . 1 218 21 21 ILE HA H 3.9190 . 1 219 21 21 ILE HB H 1.9960 . 1 220 21 21 ILE HG12 H 1.3910 . 2 221 21 21 ILE HG13 H 1.7080 . 2 222 21 21 ILE HG2 H 0.8970 . 1 223 21 21 ILE HD1 H 0.8540 . 1 224 21 21 ILE C C 177.7310 . 1 225 21 21 ILE CA C 64.3010 . 1 226 21 21 ILE CB C 36.7830 . 1 227 21 21 ILE CG1 C 29.5380 . 1 228 21 21 ILE CG2 C 16.9020 . 1 229 21 21 ILE CD1 C 12.4360 . 1 230 21 21 ILE N N 123.3670 . 1 231 22 22 ALA H H 8.4030 . 1 232 22 22 ALA HA H 3.9690 . 1 233 22 22 ALA HB H 1.3880 . 1 234 22 22 ALA C C 179.4820 . 1 235 22 22 ALA CA C 56.9940 . 1 236 22 22 ALA CB C 17.5520 . 1 237 22 22 ALA N N 123.1360 . 1 238 23 23 TYR H H 8.2420 . 1 239 23 23 TYR HA H 4.1080 . 1 240 23 23 TYR HB2 H 3.0250 . 2 241 23 23 TYR HD1 H 7.3610 . 3 242 23 23 TYR HE1 H 6.9220 . 3 243 23 23 TYR C C 178.8250 . 1 244 23 23 TYR CA C 63.2140 . 1 245 23 23 TYR CB C 37.8800 . 1 246 23 23 TYR CD1 C 133.3450 . 1 247 23 23 TYR CE1 C 118.0260 . 1 248 23 23 TYR N N 113.9180 . 1 249 24 24 SER H H 8.4690 . 1 250 24 24 SER HA H 4.3580 . 1 251 24 24 SER HB2 H 4.1150 . 2 252 24 24 SER CA C 61.8520 . 1 253 24 24 SER CB C 62.8600 . 1 254 24 24 SER N N 116.4280 . 1 255 25 25 LEU H H 8.7910 . 1 256 25 25 LEU HA H 4.0840 . 1 257 25 25 LEU HB2 H 1.9940 . 2 258 25 25 LEU HB3 H 1.1050 . 2 259 25 25 LEU HG H 1.9900 . 1 260 25 25 LEU HD1 H 0.9630 . 1 261 25 25 LEU HD2 H 0.7460 . 1 262 25 25 LEU C C 178.6590 . 1 263 25 25 LEU CA C 58.4320 . 1 264 25 25 LEU CB C 42.3230 . 1 265 25 25 LEU CG C 26.5970 . 1 266 25 25 LEU CD1 C 22.8930 . 2 267 25 25 LEU CD2 C 26.5970 . 2 268 25 25 LEU N N 123.4520 . 1 269 26 26 LYS H H 7.5820 . 1 270 26 26 LYS HA H 3.7590 . 1 271 26 26 LYS HB2 H 2.0220 . 2 272 26 26 LYS HB3 H 1.8720 . 2 273 26 26 LYS HG2 H 1.6240 . 2 274 26 26 LYS HG3 H 1.4500 . 2 275 26 26 LYS HD2 H 1.6620 . 2 276 26 26 LYS HE2 H 3.0150 . 2 277 26 26 LYS C C 179.1790 . 1 278 26 26 LYS CA C 60.7580 . 1 279 26 26 LYS CB C 32.2920 . 1 280 26 26 LYS CG C 25.1980 . 1 281 26 26 LYS CD C 30.0520 . 1 282 26 26 LYS CE C 41.3560 . 1 283 26 26 LYS N N 117.3430 . 1 284 27 27 ASN H H 8.3730 . 1 285 27 27 ASN HA H 4.5200 . 1 286 27 27 ASN HB2 H 2.9470 . 2 287 27 27 ASN HD21 H 7.6770 . 2 288 27 27 ASN HD22 H 6.9430 . 2 289 27 27 ASN C C 177.6980 . 1 290 27 27 ASN CA C 56.4970 . 1 291 27 27 ASN CB C 38.3450 . 1 292 27 27 ASN N N 118.6120 . 1 293 27 27 ASN ND2 N 113.0250 . 1 294 28 28 THR H H 8.8140 . 1 295 28 28 THR HA H 3.9420 . 1 296 28 28 THR HB H 4.2220 . 1 297 28 28 THR HG2 H 1.2000 . 1 298 28 28 THR CA C 67.0540 . 1 299 28 28 THR CB C 68.5610 . 1 300 28 28 THR CG2 C 22.3460 . 1 301 28 28 THR N N 119.1970 . 1 302 29 29 ILE H H 8.2040 . 1 303 29 29 ILE HA H 3.6970 . 1 304 29 29 ILE HB H 2.1540 . 1 305 29 29 ILE HG12 H 1.2950 . 2 306 29 29 ILE HG13 H 1.8160 . 2 307 29 29 ILE HG2 H 0.9440 . 1 308 29 29 ILE HD1 H 0.6740 . 1 309 29 29 ILE C C 178.4880 . 1 310 29 29 ILE CA C 62.3550 . 1 311 29 29 ILE CB C 35.2790 . 1 312 29 29 ILE CG1 C 28.0160 . 1 313 29 29 ILE CG2 C 18.6610 . 1 314 29 29 ILE CD1 C 10.3450 . 1 315 29 29 ILE N N 121.1210 . 1 316 30 30 SER H H 7.8410 . 1 317 30 30 SER HA H 4.3020 . 1 318 30 30 SER HB2 H 4.1180 . 2 319 30 30 SER C C 175.7850 . 1 320 30 30 SER CA C 61.6710 . 1 321 30 30 SER CB C 63.0390 . 1 322 30 30 SER N N 116.2130 . 1 323 31 31 GLU H H 7.4380 . 1 324 31 31 GLU HA H 4.4610 . 1 325 31 31 GLU HB2 H 2.2750 . 2 326 31 31 GLU HB3 H 1.9770 . 2 327 31 31 GLU HG2 H 2.4320 . 2 328 31 31 GLU HG3 H 2.2900 . 2 329 31 31 GLU C C 177.0580 . 1 330 31 31 GLU CA C 56.3220 . 1 331 31 31 GLU CB C 30.3770 . 1 332 31 31 GLU CG C 36.2100 . 1 333 31 31 GLU N N 118.8840 . 1 334 32 32 ALA H H 7.6850 . 1 335 32 32 ALA HA H 4.1870 . 1 336 32 32 ALA HB H 1.4530 . 1 337 32 32 ALA C C 178.5460 . 1 338 32 32 ALA CA C 53.9960 . 1 339 32 32 ALA CB C 19.7230 . 1 340 32 32 ALA N N 122.0040 . 1 341 33 33 GLY H H 8.1870 . 1 342 33 33 GLY HA2 H 3.9000 . 2 343 33 33 GLY HA3 H 3.7830 . 2 344 33 33 GLY C C 175.5690 . 1 345 33 33 GLY CA C 46.9710 . 1 346 33 33 GLY N N 106.2630 . 1 347 34 34 ASP H H 8.6420 . 1 348 34 34 ASP HA H 4.7020 . 1 349 34 34 ASP HB2 H 2.8140 . 2 350 34 34 ASP HB3 H 2.7440 . 2 351 34 34 ASP C C 177.0390 . 1 352 34 34 ASP CA C 54.4210 . 1 353 34 34 ASP CB C 40.1200 . 1 354 34 34 ASP N N 124.4430 . 1 355 35 35 LYS H H 7.8920 . 1 356 35 35 LYS HA H 4.0730 . 1 357 35 35 LYS HB2 H 1.9090 . 2 358 35 35 LYS HB3 H 1.7770 . 2 359 35 35 LYS HG2 H 1.6730 . 2 360 35 35 LYS HG3 H 1.5020 . 2 361 35 35 LYS HD2 H 1.6940 . 2 362 35 35 LYS HE2 H 3.0380 . 2 363 35 35 LYS C C 175.9870 . 1 364 35 35 LYS CA C 58.1500 . 1 365 35 35 LYS CB C 33.5800 . 1 366 35 35 LYS CG C 25.9820 . 1 367 35 35 LYS CD C 29.3430 . 1 368 35 35 LYS CE C 42.2130 . 1 369 35 35 LYS N N 117.7430 . 1 370 36 36 LEU H H 6.9520 . 1 371 36 36 LEU HA H 4.7100 . 1 372 36 36 LEU HB2 H 1.4750 . 2 373 36 36 LEU HB3 H 1.2920 . 2 374 36 36 LEU HG H 1.4580 . 1 375 36 36 LEU HD1 H 0.9890 . 1 376 36 36 LEU HD2 H 0.7050 . 1 377 36 36 LEU C C 176.0680 . 1 378 36 36 LEU CA C 52.4340 . 1 379 36 36 LEU CB C 47.8840 . 1 380 36 36 LEU CG C 26.9880 . 1 381 36 36 LEU CD1 C 23.6140 . 2 382 36 36 LEU CD2 C 26.9880 . 2 383 36 36 LEU N N 113.9360 . 1 384 37 37 GLU H H 9.3240 . 1 385 37 37 GLU HA H 4.2830 . 1 386 37 37 GLU HB2 H 2.2700 . 2 387 37 37 GLU HB3 H 1.9660 . 2 388 37 37 GLU HG2 H 2.3990 . 2 389 37 37 GLU C C 178.2500 . 1 390 37 37 GLU CA C 55.9230 . 1 391 37 37 GLU CB C 30.3430 . 1 392 37 37 GLU CG C 36.8330 . 1 393 37 37 GLU N N 120.8520 . 1 394 38 38 GLN H H 9.0070 . 1 395 38 38 GLN HA H 3.6210 . 1 396 38 38 GLN HB2 H 2.2990 . 2 397 38 38 GLN HB3 H 2.0200 . 2 398 38 38 GLN HG2 H 2.4170 . 2 399 38 38 GLN HE21 H 8.0920 . 2 400 38 38 GLN HE22 H 7.0110 . 2 401 38 38 GLN C C 177.4950 . 1 402 38 38 GLN CA C 59.5480 . 1 403 38 38 GLN CB C 28.3960 . 1 404 38 38 GLN CG C 33.2040 . 1 405 38 38 GLN N N 124.3710 . 1 406 38 38 GLN NE2 N 117.0210 . 1 407 39 39 ALA H H 8.9310 . 1 408 39 39 ALA HA H 4.1900 . 1 409 39 39 ALA HB H 1.4230 . 1 410 39 39 ALA C C 180.5160 . 1 411 39 39 ALA CA C 55.5150 . 1 412 39 39 ALA CB C 18.3240 . 1 413 39 39 ALA N N 118.6030 . 1 414 40 40 ASP H H 6.8640 . 1 415 40 40 ASP HA H 4.4860 . 1 416 40 40 ASP HB2 H 2.8380 . 2 417 40 40 ASP HB3 H 2.6600 . 2 418 40 40 ASP C C 177.9170 . 1 419 40 40 ASP CA C 57.0840 . 1 420 40 40 ASP CB C 41.0870 . 1 421 40 40 ASP N N 117.6260 . 1 422 41 41 LYS H H 7.6710 . 1 423 41 41 LYS HA H 3.7720 . 1 424 41 41 LYS HB2 H 1.9930 . 2 425 41 41 LYS HB3 H 1.8040 . 2 426 41 41 LYS HG2 H 1.0850 . 2 427 41 41 LYS HG3 H 1.5530 . 2 428 41 41 LYS HD2 H 1.6720 . 2 429 41 41 LYS HE2 H 3.0070 . 2 430 41 41 LYS HE3 H 2.7900 . 2 431 41 41 LYS C C 178.9410 . 1 432 41 41 LYS CA C 60.7530 . 1 433 41 41 LYS CB C 31.8810 . 1 434 41 41 LYS CG C 27.0170 . 1 435 41 41 LYS CD C 30.0030 . 1 436 41 41 LYS CE C 42.0890 . 1 437 41 41 LYS N N 119.1170 . 1 438 42 42 ASP H H 8.8200 . 1 439 42 42 ASP HA H 4.3450 . 1 440 42 42 ASP HB2 H 2.8000 . 2 441 42 42 ASP HB3 H 2.6440 . 2 442 42 42 ASP C C 178.1760 . 1 443 42 42 ASP CA C 57.4300 . 1 444 42 42 ASP CB C 40.0990 . 1 445 42 42 ASP N N 120.0550 . 1 446 43 43 THR H H 8.0600 . 1 447 43 43 THR HA H 3.8610 . 1 448 43 43 THR HB H 4.3510 . 1 449 43 43 THR HG2 H 1.1380 . 1 450 43 43 THR CA C 67.0350 . 1 451 43 43 THR CB C 68.7650 . 1 452 43 43 THR CG2 C 21.8180 . 1 453 43 43 THR N N 117.5830 . 1 454 44 44 VAL H H 7.4390 . 1 455 44 44 VAL HA H 3.4470 . 1 456 44 44 VAL HB H 2.0430 . 1 457 44 44 VAL HG1 H 1.0970 . 1 458 44 44 VAL HG2 H 0.8870 . 1 459 44 44 VAL CA C 67.5280 . 1 460 44 44 VAL CB C 31.7370 . 1 461 44 44 VAL CG1 C 24.4120 . 2 462 44 44 VAL CG2 C 22.6840 . 2 463 44 44 VAL N N 119.1820 . 1 464 45 45 THR H H 8.8090 . 1 465 45 45 THR HA H 4.2450 . 1 466 45 45 THR HB H 3.5780 . 1 467 45 45 THR HG2 H 1.2360 . 1 468 45 45 THR C C 176.1720 . 1 469 45 45 THR CA C 68.4590 . 1 470 45 45 THR CB C 68.4590 . 1 471 45 45 THR CG2 C 22.2330 . 1 472 45 45 THR N N 116.8800 . 1 473 46 46 LYS H H 8.6190 . 1 474 46 46 LYS HA H 4.1180 . 1 475 46 46 LYS HB2 H 1.9450 . 2 476 46 46 LYS HB3 H 1.8690 . 2 477 46 46 LYS HG2 H 1.5670 . 2 478 46 46 LYS HD2 H 1.7690 . 2 479 46 46 LYS HE2 H 3.0170 . 2 480 46 46 LYS C C 179.2690 . 1 481 46 46 LYS CA C 59.7510 . 1 482 46 46 LYS CB C 32.0810 . 1 483 46 46 LYS CG C 25.4630 . 1 484 46 46 LYS CD C 29.3290 . 1 485 46 46 LYS CE C 42.2250 . 1 486 46 46 LYS N N 119.9640 . 1 487 47 47 LYS H H 7.4340 . 1 488 47 47 LYS HA H 4.3670 . 1 489 47 47 LYS HB2 H 2.0240 . 2 490 47 47 LYS HB3 H 1.9540 . 2 491 47 47 LYS HG2 H 1.4950 . 2 492 47 47 LYS HD2 H 1.6710 . 2 493 47 47 LYS HE2 H 2.8010 . 2 494 47 47 LYS HE3 H 2.7230 . 2 495 47 47 LYS C C 180.1060 . 1 496 47 47 LYS CA C 56.9350 . 1 497 47 47 LYS CB C 31.2970 . 1 498 47 47 LYS CG C 25.2870 . 1 499 47 47 LYS CD C 28.1170 . 1 500 47 47 LYS CE C 42.0480 . 1 501 47 47 LYS N N 118.9940 . 1 502 48 48 ALA H H 9.0440 . 1 503 48 48 ALA HA H 3.9540 . 1 504 48 48 ALA HB H 1.5490 . 1 505 48 48 ALA C C 179.1610 . 1 506 48 48 ALA CA C 56.5710 . 1 507 48 48 ALA CB C 17.5430 . 1 508 48 48 ALA N N 125.5440 . 1 509 49 49 GLU H H 8.8610 . 1 510 49 49 GLU HA H 3.9860 . 1 511 49 49 GLU HB2 H 2.2440 . 2 512 49 49 GLU HB3 H 2.0500 . 2 513 49 49 GLU HG2 H 2.5490 . 2 514 49 49 GLU HG3 H 2.2430 . 2 515 49 49 GLU C C 179.9640 . 1 516 49 49 GLU CA C 60.0720 . 1 517 49 49 GLU CB C 29.1340 . 1 518 49 49 GLU CG C 37.0200 . 1 519 49 49 GLU N N 118.1870 . 1 520 50 50 GLU H H 8.6110 . 1 521 50 50 GLU HA H 4.1360 . 1 522 50 50 GLU HB2 H 2.3130 . 2 523 50 50 GLU HB3 H 2.2290 . 2 524 50 50 GLU HG2 H 2.5360 . 2 525 50 50 GLU HG3 H 2.2660 . 2 526 50 50 GLU C C 179.5980 . 1 527 50 50 GLU CA C 59.4910 . 1 528 50 50 GLU CB C 29.9230 . 1 529 50 50 GLU CG C 36.4550 . 1 530 50 50 GLU N N 121.3200 . 1 531 51 51 THR H H 8.0670 . 1 532 51 51 THR HA H 4.5320 . 1 533 51 51 THR HB H 3.9650 . 1 534 51 51 THR HG1 H 5.1470 . 1 535 51 51 THR HG2 H 1.2420 . 1 536 51 51 THR C C 175.3280 . 1 537 51 51 THR CA C 68.1480 . 1 538 51 51 THR CB C 67.9420 . 1 539 51 51 THR CG2 C 21.9720 . 1 540 51 51 THR N N 118.2240 . 1 541 52 52 ILE H H 8.2670 . 1 542 52 52 ILE HA H 3.6500 . 1 543 52 52 ILE HB H 1.8210 . 1 544 52 52 ILE HG12 H 0.6950 . 2 545 52 52 ILE HG13 H 1.5150 . 2 546 52 52 ILE HG2 H 0.9650 . 1 547 52 52 ILE HD1 H 0.1780 . 1 548 52 52 ILE CA C 65.9590 . 1 549 52 52 ILE CB C 38.1580 . 1 550 52 52 ILE CG1 C 30.4030 . 1 551 52 52 ILE CG2 C 17.6110 . 1 552 52 52 ILE CD1 C 12.3180 . 1 553 52 52 ILE N N 124.1890 . 1 554 53 53 SER H H 8.3190 . 1 555 53 53 SER HA H 4.3210 . 1 556 53 53 SER HB2 H 4.0330 . 2 557 53 53 SER C C 177.5380 . 1 558 53 53 SER CA C 61.7570 . 1 559 53 53 SER CB C 62.7660 . 1 560 53 53 SER N N 115.1540 . 1 561 54 54 TRP H H 8.4790 . 1 562 54 54 TRP HA H 4.0880 . 1 563 54 54 TRP HB2 H 3.7230 . 2 564 54 54 TRP HB3 H 3.4380 . 2 565 54 54 TRP HD1 H 7.3220 . 1 566 54 54 TRP HE1 H 10.2130 . 1 567 54 54 TRP HE3 H 7.5180 . 1 568 54 54 TRP HZ2 H 7.2760 . 1 569 54 54 TRP HZ3 H 7.1390 . 1 570 54 54 TRP HH2 H 6.4810 . 1 571 54 54 TRP C C 179.3660 . 1 572 54 54 TRP CA C 62.5600 . 1 573 54 54 TRP CB C 28.3020 . 1 574 54 54 TRP CD1 C 127.1590 . 1 575 54 54 TRP CE3 C 119.5480 . 1 576 54 54 TRP CZ2 C 114.6390 . 1 577 54 54 TRP CZ3 C 121.3280 . 1 578 54 54 TRP CH2 C 123.5990 . 1 579 54 54 TRP N N 123.7880 . 1 580 54 54 TRP NE1 N 131.4820 . 1 581 55 55 LEU H H 8.9610 . 1 582 55 55 LEU HA H 3.6840 . 1 583 55 55 LEU HB2 H 2.1050 . 2 584 55 55 LEU HB3 H 1.9360 . 2 585 55 55 LEU HG H 2.0360 . 1 586 55 55 LEU HD1 H 1.1060 . 1 587 55 55 LEU HD2 H 0.9980 . 1 588 55 55 LEU C C 178.9560 . 1 589 55 55 LEU CA C 59.0110 . 1 590 55 55 LEU CB C 42.4290 . 1 591 55 55 LEU CG C 27.5060 . 1 592 55 55 LEU CD1 C 25.9610 . 2 593 55 55 LEU CD2 C 25.7000 . 2 594 55 55 LEU N N 123.3820 . 1 595 56 56 ASP H H 7.9670 . 1 596 56 56 ASP HA H 4.3930 . 1 597 56 56 ASP HB2 H 2.8490 . 2 598 56 56 ASP HB3 H 2.6970 . 2 599 56 56 ASP C C 178.0860 . 1 600 56 56 ASP CA C 57.1290 . 1 601 56 56 ASP CB C 41.0440 . 1 602 56 56 ASP N N 117.7050 . 1 603 57 57 SER H H 7.2590 . 1 604 57 57 SER HA H 4.5740 . 1 605 57 57 SER HB2 H 3.8780 . 2 606 57 57 SER HB3 H 3.7520 . 2 607 57 57 SER C C 173.9930 . 1 608 57 57 SER CA C 58.9970 . 1 609 57 57 SER CB C 64.7590 . 1 610 57 57 SER N N 111.4850 . 1 611 58 58 ASN H H 7.4730 . 1 612 58 58 ASN HA H 4.8400 . 1 613 58 58 ASN HB2 H 1.8780 . 2 614 58 58 ASN HB3 H 0.7610 . 2 615 58 58 ASN HD21 H 6.4410 . 2 616 58 58 ASN HD22 H 6.7930 . 2 617 58 58 ASN C C 174.8390 . 1 618 58 58 ASN CA C 53.4230 . 1 619 58 58 ASN CB C 38.2730 . 1 620 58 58 ASN N N 121.7660 . 1 621 58 58 ASN ND2 N 117.2400 . 1 622 59 59 THR H H 7.8910 . 1 623 59 59 THR HA H 4.0730 . 1 624 59 59 THR HB H 4.3010 . 1 625 59 59 THR HG2 H 1.3850 . 1 626 59 59 THR C C 176.6000 . 1 627 59 59 THR CA C 65.7070 . 1 628 59 59 THR CB C 69.1880 . 1 629 59 59 THR CG2 C 22.3390 . 1 630 59 59 THR N N 111.4440 . 1 631 60 60 THR H H 7.6640 . 1 632 60 60 THR HA H 4.3460 . 1 633 60 60 THR HB H 4.5870 . 1 634 60 60 THR HG2 H 1.1700 . 1 635 60 60 THR C C 173.7540 . 1 636 60 60 THR CA C 61.2500 . 1 637 60 60 THR CB C 68.7330 . 1 638 60 60 THR CG2 C 21.5630 . 1 639 60 60 THR N N 108.9880 . 1 640 61 61 ALA H H 7.0890 . 1 641 61 61 ALA HA H 4.0960 . 1 642 61 61 ALA HB H 1.0080 . 1 643 61 61 ALA C C 174.3270 . 1 644 61 61 ALA CA C 52.5670 . 1 645 61 61 ALA CB C 18.7320 . 1 646 61 61 ALA N N 125.4540 . 1 647 62 62 SER H H 8.2040 . 1 648 62 62 SER HA H 4.3330 . 1 649 62 62 SER HB2 H 4.0790 . 2 650 62 62 SER HB3 H 4.3420 . 2 651 62 62 SER C C 174.2460 . 1 652 62 62 SER CA C 57.6990 . 1 653 62 62 SER CB C 66.1250 . 1 654 62 62 SER N N 113.0540 . 1 655 63 63 LYS H H 9.1250 . 1 656 63 63 LYS HA H 4.1500 . 1 657 63 63 LYS HB2 H 1.9910 . 2 658 63 63 LYS HB3 H 1.7950 . 2 659 63 63 LYS HG2 H 1.4970 . 2 660 63 63 LYS HG3 H 1.6530 . 2 661 63 63 LYS HD2 H 1.6750 . 2 662 63 63 LYS HE3 H 3.0340 . 2 663 63 63 LYS C C 177.3370 . 1 664 63 63 LYS CA C 61.0090 . 1 665 63 63 LYS CB C 33.5880 . 1 666 63 63 LYS CG C 24.7530 . 1 667 63 63 LYS CD C 29.7520 . 1 668 63 63 LYS CE C 42.5960 . 1 669 63 63 LYS N N 121.0260 . 1 670 64 64 GLU H H 8.8940 . 1 671 64 64 GLU HA H 4.0100 . 1 672 64 64 GLU HB2 H 2.0490 . 2 673 64 64 GLU HB3 H 1.9930 . 2 674 64 64 GLU HG2 H 2.5410 . 2 675 64 64 GLU HG3 H 2.3220 . 2 676 64 64 GLU C C 178.8010 . 1 677 64 64 GLU CA C 60.8240 . 1 678 64 64 GLU CB C 28.6810 . 1 679 64 64 GLU CG C 37.4760 . 1 680 64 64 GLU N N 115.8590 . 1 681 65 65 GLU H H 7.6080 . 1 682 65 65 GLU HA H 4.0880 . 1 683 65 65 GLU HB2 H 2.3000 . 2 684 65 65 GLU HB3 H 1.9910 . 2 685 65 65 GLU HG2 H 2.3110 . 2 686 65 65 GLU C C 180.1460 . 1 687 65 65 GLU CA C 59.6990 . 1 688 65 65 GLU CB C 30.1270 . 1 689 65 65 GLU CG C 38.3560 . 1 690 65 65 GLU N N 119.2090 . 1 691 66 66 PHE H H 8.0000 . 1 692 66 66 PHE HA H 4.5410 . 1 693 66 66 PHE HB2 H 3.3610 . 2 694 66 66 PHE HB3 H 3.0870 . 2 695 66 66 PHE HD1 H 7.3700 . 3 696 66 66 PHE HE1 H 7.1950 . 3 697 66 66 PHE CA C 61.0010 . 1 698 66 66 PHE CB C 38.5330 . 1 699 66 66 PHE CD1 C 130.4470 . 1 700 66 66 PHE CE1 C 130.0400 . 1 701 66 66 PHE N N 119.1590 . 1 702 67 67 ASP H H 9.0020 . 1 703 67 67 ASP HA H 4.4230 . 1 704 67 67 ASP HB2 H 2.8400 . 2 705 67 67 ASP HB3 H 2.6770 . 2 706 67 67 ASP C C 179.7300 . 1 707 67 67 ASP CA C 57.5670 . 1 708 67 67 ASP CB C 39.5160 . 1 709 67 67 ASP N N 120.7990 . 1 710 68 68 ASP H H 8.5950 . 1 711 68 68 ASP HA H 4.4780 . 1 712 68 68 ASP HB2 H 2.7660 . 2 713 68 68 ASP HB3 H 2.5920 . 2 714 68 68 ASP C C 179.1420 . 1 715 68 68 ASP CA C 57.4560 . 1 716 68 68 ASP CB C 40.1830 . 1 717 68 68 ASP N N 123.1910 . 1 718 69 69 LYS H H 7.8240 . 1 719 69 69 LYS HA H 3.8550 . 1 720 69 69 LYS HB2 H 1.7410 . 2 721 69 69 LYS HB3 H 1.4020 . 2 722 69 69 LYS HG2 H 0.6670 . 2 723 69 69 LYS HG3 H -0.1110 . 2 724 69 69 LYS HD2 H 0.9630 . 2 725 69 69 LYS HD3 H 0.8100 . 2 726 69 69 LYS HE2 H 1.6100 . 2 727 69 69 LYS HE3 H 1.5330 . 2 728 69 69 LYS C C 179.6070 . 1 729 69 69 LYS CA C 57.3820 . 1 730 69 69 LYS CB C 31.4130 . 1 731 69 69 LYS CG C 23.2220 . 1 732 69 69 LYS CD C 27.5330 . 1 733 69 69 LYS CE C 40.7320 . 1 734 69 69 LYS N N 121.2530 . 1 735 70 70 LEU H H 8.3560 . 1 736 70 70 LEU HA H 3.9920 . 1 737 70 70 LEU HB2 H 2.1740 . 2 738 70 70 LEU HB3 H 1.6810 . 2 739 70 70 LEU HG H 0.9410 . 1 740 70 70 LEU HD1 H 0.9960 . 1 741 70 70 LEU HD2 H 0.9600 . 1 742 70 70 LEU C C 177.7350 . 1 743 70 70 LEU CA C 58.2110 . 1 744 70 70 LEU CB C 40.7750 . 1 745 70 70 LEU CG C 27.0930 . 1 746 70 70 LEU CD1 C 23.9260 . 2 747 70 70 LEU CD2 C 26.2470 . 2 748 70 70 LEU N N 122.5850 . 1 749 71 71 LYS H H 7.8230 . 1 750 71 71 LYS HA H 4.1030 . 1 751 71 71 LYS HB2 H 2.0290 . 2 752 71 71 LYS HB3 H 1.9180 . 2 753 71 71 LYS HG2 H 1.6570 . 2 754 71 71 LYS HD2 H 1.6980 . 2 755 71 71 LYS HE2 H 3.0300 . 2 756 71 71 LYS C C 178.0690 . 1 757 71 71 LYS CA C 59.6450 . 1 758 71 71 LYS CB C 32.0530 . 1 759 71 71 LYS CG C 25.0510 . 1 760 71 71 LYS CD C 29.9870 . 1 761 71 71 LYS CE C 42.3400 . 1 762 71 71 LYS N N 120.9080 . 1 763 72 72 GLU H H 7.8860 . 1 764 72 72 GLU HA H 4.0150 . 1 765 72 72 GLU HB2 H 2.0500 . 2 766 72 72 GLU HB3 H 1.9410 . 2 767 72 72 GLU HG2 H 2.4480 . 2 768 72 72 GLU HG3 H 2.0500 . 2 769 72 72 GLU C C 178.9820 . 1 770 72 72 GLU CA C 59.2970 . 1 771 72 72 GLU CB C 30.2810 . 1 772 72 72 GLU CG C 36.4280 . 1 773 72 72 GLU N N 117.7800 . 1 774 73 73 LEU H H 7.6640 . 1 775 73 73 LEU HA H 3.9440 . 1 776 73 73 LEU HB2 H 2.1780 . 2 777 73 73 LEU HB3 H 1.5740 . 2 778 73 73 LEU HG H 1.3830 . 1 779 73 73 LEU HD1 H 0.8010 . 1 780 73 73 LEU HD2 H 0.9220 . 1 781 73 73 LEU C C 178.1210 . 1 782 73 73 LEU CA C 58.0860 . 1 783 73 73 LEU CB C 41.8890 . 1 784 73 73 LEU CG C 26.5310 . 1 785 73 73 LEU CD1 C 22.6110 . 2 786 73 73 LEU CD2 C 26.5310 . 2 787 73 73 LEU N N 119.1660 . 1 788 74 74 GLN H H 8.8630 . 1 789 74 74 GLN HA H 3.9470 . 1 790 74 74 GLN HB2 H 2.2620 . 2 791 74 74 GLN HB3 H 2.0110 . 2 792 74 74 GLN HG2 H 2.2220 . 2 793 74 74 GLN HG3 H 2.5740 . 2 794 74 74 GLN HE21 H 7.3610 . 2 795 74 74 GLN HE22 H 6.7720 . 2 796 74 74 GLN C C 178.0790 . 1 797 74 74 GLN CA C 59.7850 . 1 798 74 74 GLN CB C 28.6860 . 1 799 74 74 GLN CG C 35.1040 . 1 800 74 74 GLN N N 118.3160 . 1 801 74 74 GLN NE2 N 110.5690 . 1 802 75 75 ASP H H 8.8680 . 1 803 75 75 ASP HA H 4.4260 . 1 804 75 75 ASP HB2 H 2.8170 . 2 805 75 75 ASP HB3 H 2.5720 . 2 806 75 75 ASP C C 178.9920 . 1 807 75 75 ASP CA C 57.2590 . 1 808 75 75 ASP CB C 40.1500 . 1 809 75 75 ASP N N 119.6670 . 1 810 76 76 ILE H H 7.0710 . 1 811 76 76 ILE HA H 4.0330 . 1 812 76 76 ILE HB H 1.9830 . 1 813 76 76 ILE HG13 H 1.5340 . 2 814 76 76 ILE HG2 H 0.7950 . 1 815 76 76 ILE HD1 H 0.8390 . 1 816 76 76 ILE C C 177.1940 . 1 817 76 76 ILE CA C 61.4730 . 1 818 76 76 ILE CB C 38.0730 . 1 819 76 76 ILE CG1 C 28.4560 . 1 820 76 76 ILE CG2 C 17.5040 . 1 821 76 76 ILE CD1 C 11.7020 . 1 822 76 76 ILE N N 117.1720 . 1 823 77 77 ALA H H 8.6140 . 1 824 77 77 ALA HA H 4.1400 . 1 825 77 77 ALA HB H 1.4250 . 1 826 77 77 ALA CA C 54.6970 . 1 827 77 77 ALA CB C 20.4400 . 1 828 77 77 ALA N N 119.5700 . 1 829 78 78 ASN H H 9.3370 . 1 830 78 78 ASN HA H 4.5890 . 1 831 78 78 ASN HB2 H 2.8230 . 2 832 78 78 ASN HB3 H 3.1750 . 2 833 78 78 ASN HD21 H 7.6280 . 2 834 78 78 ASN HD22 H 6.7450 . 2 835 78 78 ASN C C 175.6210 . 1 836 78 78 ASN CA C 58.0470 . 1 837 78 78 ASN CB C 35.4240 . 1 838 78 78 ASN N N 118.9190 . 1 839 78 78 ASN ND2 N 110.4120 . 1 840 79 79 PRO HA H 4.3900 . 1 841 79 79 PRO HB2 H 2.3950 . 2 842 79 79 PRO HB3 H 1.8480 . 2 843 79 79 PRO HG2 H 2.1110 . 2 844 79 79 PRO HG3 H 2.0190 . 2 845 79 79 PRO HD2 H 3.6520 . 2 846 79 79 PRO HD3 H 3.6010 . 2 847 79 79 PRO C C 178.7230 . 1 848 79 79 PRO CA C 65.8470 . 1 849 79 79 PRO CB C 31.3120 . 1 850 79 79 PRO CG C 28.4050 . 1 851 79 79 PRO CD C 50.7920 . 1 852 80 80 ILE H H 6.8320 . 1 853 80 80 ILE HA H 3.6930 . 1 854 80 80 ILE HB H 1.7940 . 1 855 80 80 ILE HG12 H 1.0940 . 2 856 80 80 ILE HG13 H 1.6680 . 2 857 80 80 ILE HG2 H 0.8830 . 1 858 80 80 ILE HD1 H 0.9930 . 1 859 80 80 ILE C C 177.3650 . 1 860 80 80 ILE CA C 64.5440 . 1 861 80 80 ILE CB C 38.5210 . 1 862 80 80 ILE CG1 C 30.2700 . 1 863 80 80 ILE CG2 C 19.2470 . 1 864 80 80 ILE CD1 C 13.6500 . 1 865 80 80 ILE N N 117.9820 . 1 866 81 81 MET H H 8.6740 . 1 867 81 81 MET HA H 4.2990 . 1 868 81 81 MET HB2 H 2.1250 . 2 869 81 81 MET HB3 H 2.0050 . 2 870 81 81 MET HG2 H 2.7580 . 2 871 81 81 MET HG3 H 2.5830 . 2 872 81 81 MET HE H 1.9730 . 1 873 81 81 MET C C 179.3900 . 1 874 81 81 MET CA C 56.4260 . 1 875 81 81 MET CB C 29.9410 . 1 876 81 81 MET CG C 32.3900 . 1 877 81 81 MET CE C 17.3460 . 1 878 81 81 MET N N 118.2440 . 1 879 82 82 SER H H 8.1330 . 1 880 82 82 SER HA H 4.2140 . 1 881 82 82 SER HB2 H 3.9340 . 2 882 82 82 SER CA C 61.7770 . 1 883 82 82 SER CB C 62.8870 . 1 884 82 82 SER N N 113.4660 . 1 885 83 83 LYS H H 7.3690 . 1 886 83 83 LYS HA H 4.0820 . 1 887 83 83 LYS HB2 H 2.0340 . 2 888 83 83 LYS HB3 H 1.9370 . 2 889 83 83 LYS HG2 H 1.7310 . 2 890 83 83 LYS HD2 H 1.7220 . 2 891 83 83 LYS HE2 H 2.9530 . 2 892 83 83 LYS C C 178.7020 . 1 893 83 83 LYS CA C 59.1820 . 1 894 83 83 LYS CB C 32.4240 . 1 895 83 83 LYS CG C 25.2920 . 1 896 83 83 LYS CD C 30.1090 . 1 897 83 83 LYS CE C 42.0400 . 1 898 83 83 LYS N N 120.6720 . 1 899 84 84 LEU H H 7.6740 . 1 900 84 84 LEU HA H 4.0290 . 1 901 84 84 LEU HB2 H 1.7400 . 2 902 84 84 LEU HB3 H 1.4630 . 2 903 84 84 LEU HG H 1.4230 . 1 904 84 84 LEU HD1 H 0.8610 . 1 905 84 84 LEU HD2 H 0.7440 . 1 906 84 84 LEU C C 178.2480 . 1 907 84 84 LEU CA C 57.0770 . 1 908 84 84 LEU CB C 41.8200 . 1 909 84 84 LEU CG C 27.0540 . 1 910 84 84 LEU CD1 C 24.8010 . 2 911 84 84 LEU CD2 C 25.1710 . 2 912 84 84 LEU N N 119.8410 . 1 913 85 85 TYR H H 7.9330 . 1 914 85 85 TYR HA H 4.5770 . 1 915 85 85 TYR HB2 H 3.2340 . 2 916 85 85 TYR HB3 H 2.9800 . 2 917 85 85 TYR HD1 H 7.1010 . 3 918 85 85 TYR HE1 H 6.7710 . 3 919 85 85 TYR C C 177.5670 . 1 920 85 85 TYR CA C 58.3440 . 1 921 85 85 TYR CB C 37.8170 . 1 922 85 85 TYR CD1 C 132.9310 . 1 923 85 85 TYR CE1 C 118.0260 . 1 924 85 85 TYR N N 118.3960 . 1 925 86 86 GLN H H 8.0170 . 1 926 86 86 GLN HA H 4.2450 . 1 927 86 86 GLN HB2 H 2.1670 . 2 928 86 86 GLN HB3 H 2.0950 . 2 929 86 86 GLN HG2 H 2.4540 . 2 930 86 86 GLN HE21 H 7.4700 . 2 931 86 86 GLN HE22 H 6.8520 . 2 932 86 86 GLN C C 176.3110 . 1 933 86 86 GLN CA C 56.9630 . 1 934 86 86 GLN CB C 28.9970 . 1 935 86 86 GLN CG C 33.9820 . 1 936 86 86 GLN N N 120.2330 . 1 937 86 86 GLN NE2 N 112.1190 . 1 938 87 87 ALA H H 8.0260 . 1 939 87 87 ALA HA H 4.3740 . 1 940 87 87 ALA HB H 1.5130 . 1 941 87 87 ALA C C 178.1100 . 1 942 87 87 ALA CA C 52.8830 . 1 943 87 87 ALA CB C 19.0270 . 1 944 87 87 ALA N N 123.5260 . 1 945 88 88 GLY H H 8.1730 . 1 946 88 88 GLY HA2 H 4.0500 . 2 947 88 88 GLY C C 174.7520 . 1 948 88 88 GLY CA C 45.4580 . 1 949 88 88 GLY N N 107.4640 . 1 950 89 89 GLY H H 8.1960 . 1 951 89 89 GLY HA2 H 3.9770 . 2 952 89 89 GLY HA3 H 3.8720 . 2 953 89 89 GLY C C 173.1340 . 1 954 89 89 GLY CA C 44.8600 . 1 955 89 89 GLY N N 108.2030 . 1 956 90 90 ALA H H 8.2210 . 1 957 90 90 ALA HA H 4.6080 . 1 958 90 90 ALA HB H 1.3310 . 1 959 90 90 ALA C C 175.6680 . 1 960 90 90 ALA CA C 50.5600 . 1 961 90 90 ALA CB C 18.3900 . 1 962 90 90 ALA N N 124.4340 . 1 963 91 91 PRO HA H 4.4190 . 1 964 91 91 PRO HB2 H 2.2860 . 2 965 91 91 PRO HB3 H 1.9560 . 2 966 91 91 PRO HG2 H 2.0350 . 2 967 91 91 PRO HD2 H 3.6370 . 2 968 91 91 PRO HD3 H 3.7800 . 2 969 91 91 PRO C C 177.6850 . 1 970 91 91 PRO CA C 63.5370 . 1 971 91 91 PRO CB C 31.9610 . 1 972 91 91 PRO CG C 27.4110 . 1 973 91 91 PRO CD C 50.6020 . 1 974 92 92 GLY H H 8.4790 . 1 975 92 92 GLY HA2 H 3.9480 . 2 976 92 92 GLY C C 174.7800 . 1 977 92 92 GLY CA C 45.3320 . 1 978 92 92 GLY N N 109.8700 . 1 979 93 93 GLY H H 8.2360 . 1 980 93 93 GLY HA2 H 3.9480 . 2 981 93 93 GLY C C 174.0400 . 1 982 93 93 GLY CA C 45.4140 . 1 983 93 93 GLY N N 108.8640 . 1 984 94 94 ALA H H 8.2320 . 1 985 94 94 ALA HA H 4.3090 . 1 986 94 94 ALA HB H 1.3680 . 1 987 94 94 ALA C C 177.7230 . 1 988 94 94 ALA CA C 52.5860 . 1 989 94 94 ALA CB C 19.2580 . 1 990 94 94 ALA N N 124.1610 . 1 991 95 95 ALA H H 8.3340 . 1 992 95 95 ALA HA H 4.3170 . 1 993 95 95 ALA HB H 1.3940 . 1 994 95 95 ALA C C 178.3040 . 1 995 95 95 ALA CA C 52.6570 . 1 996 95 95 ALA CB C 19.1430 . 1 997 95 95 ALA N N 123.5250 . 1 998 96 96 GLY H H 8.3000 . 1 999 96 96 GLY HA2 H 3.9490 . 2 1000 96 96 GLY C C 174.6640 . 1 1001 96 96 GLY CA C 45.3970 . 1 1002 96 96 GLY N N 108.2700 . 1 1003 97 97 GLY H H 8.1670 . 1 1004 97 97 GLY HA2 H 3.9360 . 2 1005 97 97 GLY C C 173.4120 . 1 1006 97 97 GLY CA C 45.0480 . 1 1007 97 97 GLY N N 108.6540 . 1 1008 98 98 ALA H H 8.1850 . 1 1009 98 98 ALA HA H 4.5280 . 1 1010 98 98 ALA HB H 1.3070 . 1 1011 98 98 ALA C C 175.8400 . 1 1012 98 98 ALA CA C 50.4820 . 1 1013 98 98 ALA CB C 18.2840 . 1 1014 98 98 ALA N N 125.0450 . 1 1015 99 99 PRO HA H 4.6020 . 1 1016 99 99 PRO HB2 H 2.3080 . 2 1017 99 99 PRO HB3 H 2.2290 . 2 1018 99 99 PRO HG2 H 1.8620 . 2 1019 99 99 PRO HG3 H 1.9640 . 2 1020 99 99 PRO HD2 H 3.4840 . 2 1021 99 99 PRO HD3 H 3.6270 . 2 1022 99 99 PRO C C 176.9310 . 1 1023 99 99 PRO CA C 63.3560 . 1 1024 99 99 PRO CB C 34.2640 . 1 1025 99 99 PRO CG C 24.4100 . 1 1026 99 99 PRO CD C 50.2380 . 1 1027 100 100 GLY H H 8.5170 . 1 1028 100 100 GLY HA2 H 3.9470 . 2 1029 100 100 GLY C C 173.4100 . 1 1030 100 100 GLY CA C 45.4590 . 1 1031 100 100 GLY N N 111.7830 . 1 1032 101 101 GLY H H 7.9150 . 1 1033 101 101 GLY HA2 H 3.7690 . 2 1034 101 101 GLY C C 179.1300 . 1 1035 101 101 GLY CA C 46.0170 . 1 1036 101 101 GLY N N 115.3570 . 1 stop_ save_