data_36078 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure for human HSP70 substrate binding domain L542Y mutant ; _BMRB_accession_number 36078 _BMRB_flat_file_name bmr36078.str _Entry_type original _Submission_date 2017-04-27 _Accession_date 2017-07-06 _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 Hoshikawa M. . . 2 Tochio N. . . 3 Tate S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 880 "13C chemical shifts" 765 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-14 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 36077 'Solution structure for human HSP70 substrate binding domain' stop_ _Original_release_date 2017-07-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Substrate Binding Switches the Conformation at the Lynchpin Site in the Substrate-Binding Domain of Human Hsp70 to Enable Allosteric Interdomain Communication ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29495458 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Umehara Kohei . . 2 Hoshikawa Miho . . 3 Tochio Naoya . . 4 Tate Shin-Ichi I. . stop_ _Journal_abbreviation Molecules _Journal_name_full 'Molecules (Basel, Switzerland)' _Journal_volume 23 _Journal_issue 3 _Journal_ISSN 1420-3049 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E528 _Page_last E528 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Heat shock 70 kDa protein 1A' _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 'Heat shock 70 kDa protein 1A' _Molecular_mass 20373.900 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; HMGDKSENVQDLLLLDVAPL SLGLETAGGVMTALIKRNST IPTKQTQIFTTYSDNQPGVL IQVYEGERAMTKDNNLLGRF ELSGIPPAPRGVPQIEVTFD IDANGILNVTATDKSTGKAN KITITNDKGRLSKEEIERMV QEAEKYKAEDEVQRERVSAK NAYESYAFNMKSAVEDEGLK GKISE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 MET 3 3 GLY 4 4 ASP 5 5 LYS 6 6 SER 7 7 GLU 8 8 ASN 9 9 VAL 10 10 GLN 11 11 ASP 12 12 LEU 13 13 LEU 14 14 LEU 15 15 LEU 16 16 ASP 17 17 VAL 18 18 ALA 19 19 PRO 20 20 LEU 21 21 SER 22 22 LEU 23 23 GLY 24 24 LEU 25 25 GLU 26 26 THR 27 27 ALA 28 28 GLY 29 29 GLY 30 30 VAL 31 31 MET 32 32 THR 33 33 ALA 34 34 LEU 35 35 ILE 36 36 LYS 37 37 ARG 38 38 ASN 39 39 SER 40 40 THR 41 41 ILE 42 42 PRO 43 43 THR 44 44 LYS 45 45 GLN 46 46 THR 47 47 GLN 48 48 ILE 49 49 PHE 50 50 THR 51 51 THR 52 52 TYR 53 53 SER 54 54 ASP 55 55 ASN 56 56 GLN 57 57 PRO 58 58 GLY 59 59 VAL 60 60 LEU 61 61 ILE 62 62 GLN 63 63 VAL 64 64 TYR 65 65 GLU 66 66 GLY 67 67 GLU 68 68 ARG 69 69 ALA 70 70 MET 71 71 THR 72 72 LYS 73 73 ASP 74 74 ASN 75 75 ASN 76 76 LEU 77 77 LEU 78 78 GLY 79 79 ARG 80 80 PHE 81 81 GLU 82 82 LEU 83 83 SER 84 84 GLY 85 85 ILE 86 86 PRO 87 87 PRO 88 88 ALA 89 89 PRO 90 90 ARG 91 91 GLY 92 92 VAL 93 93 PRO 94 94 GLN 95 95 ILE 96 96 GLU 97 97 VAL 98 98 THR 99 99 PHE 100 100 ASP 101 101 ILE 102 102 ASP 103 103 ALA 104 104 ASN 105 105 GLY 106 106 ILE 107 107 LEU 108 108 ASN 109 109 VAL 110 110 THR 111 111 ALA 112 112 THR 113 113 ASP 114 114 LYS 115 115 SER 116 116 THR 117 117 GLY 118 118 LYS 119 119 ALA 120 120 ASN 121 121 LYS 122 122 ILE 123 123 THR 124 124 ILE 125 125 THR 126 126 ASN 127 127 ASP 128 128 LYS 129 129 GLY 130 130 ARG 131 131 LEU 132 132 SER 133 133 LYS 134 134 GLU 135 135 GLU 136 136 ILE 137 137 GLU 138 138 ARG 139 139 MET 140 140 VAL 141 141 GLN 142 142 GLU 143 143 ALA 144 144 GLU 145 145 LYS 146 146 TYR 147 147 LYS 148 148 ALA 149 149 GLU 150 150 ASP 151 151 GLU 152 152 VAL 153 153 GLN 154 154 ARG 155 155 GLU 156 156 ARG 157 157 VAL 158 158 SER 159 159 ALA 160 160 LYS 161 161 ASN 162 162 ALA 163 163 TYR 164 164 GLU 165 165 SER 166 166 TYR 167 167 ALA 168 168 PHE 169 169 ASN 170 170 MET 171 171 LYS 172 172 SER 173 173 ALA 174 174 VAL 175 175 GLU 176 176 ASP 177 177 GLU 178 178 GLY 179 179 LEU 180 180 LYS 181 181 GLY 182 182 LYS 183 183 ILE 184 184 SER 185 185 GLU 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'HSPA1A, HSP72, HSPA1, HSX70' 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 '50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . DTT 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_2 _Saveframe_category software _Name MAGRO _Version . loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' 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 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_6 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _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_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N 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' 100 . M pH 7.0 . pH pressure 1 . atm temperature 310 . 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 water C 13 protons ppm 4.658 internal indirect . . . 0.251449530 water H 1 protons ppm 4.658 internal direct . . . 1 water N 15 protons ppm 4.658 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 '3D HNCO' '3D HN(CA)CO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D HCCH-COSY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D 1H-13C NOESY' '1H-15N 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 2 2 MET HA H 4.255 0.030 1 2 2 2 MET HB3 H 1.849 0.030 2 3 2 2 MET C C 177.154 0.300 1 4 2 2 MET CA C 57.123 0.300 1 5 2 2 MET CB C 32.665 0.300 1 6 4 4 ASP H H 8.159 0.030 1 7 4 4 ASP HA H 4.575 0.030 1 8 4 4 ASP HB3 H 2.676 0.030 2 9 4 4 ASP C C 176.471 0.300 1 10 4 4 ASP CA C 54.527 0.300 1 11 4 4 ASP CB C 41.378 0.300 1 12 4 4 ASP N N 120.534 0.300 1 13 5 5 LYS H H 8.267 0.030 1 14 5 5 LYS HA H 4.353 0.030 1 15 5 5 LYS HB3 H 1.803 0.030 2 16 5 5 LYS HG3 H 1.419 0.030 2 17 5 5 LYS HD3 H 1.657 0.030 2 18 5 5 LYS HE3 H 2.992 0.030 2 19 5 5 LYS C C 176.627 0.300 1 20 5 5 LYS CA C 56.404 0.300 1 21 5 5 LYS CB C 32.870 0.300 1 22 5 5 LYS CG C 24.651 0.300 1 23 5 5 LYS CD C 29.113 0.300 1 24 5 5 LYS CE C 42.094 0.300 1 25 5 5 LYS N N 121.239 0.300 1 26 6 6 SER H H 8.306 0.030 1 27 6 6 SER HA H 4.401 0.030 1 28 6 6 SER HB3 H 3.853 0.030 2 29 6 6 SER C C 174.587 0.300 1 30 6 6 SER CA C 58.718 0.300 1 31 6 6 SER CB C 63.695 0.300 1 32 6 6 SER N N 116.950 0.300 1 33 7 7 GLU H H 8.387 0.030 1 34 7 7 GLU HA H 4.292 0.030 1 35 7 7 GLU HB3 H 1.978 0.030 2 36 7 7 GLU C C 176.086 0.300 1 37 7 7 GLU CA C 56.719 0.300 1 38 7 7 GLU CB C 30.445 0.300 1 39 7 7 GLU CG C 36.415 0.300 1 40 7 7 GLU N N 122.270 0.300 1 41 8 8 ASN H H 8.381 0.030 1 42 8 8 ASN HA H 4.736 0.030 1 43 8 8 ASN HB2 H 2.719 0.030 2 44 8 8 ASN HB3 H 2.827 0.030 2 45 8 8 ASN HD21 H 6.865 0.030 2 46 8 8 ASN HD22 H 7.529 0.030 2 47 8 8 ASN C C 175.213 0.300 1 48 8 8 ASN CA C 53.212 0.300 1 49 8 8 ASN CB C 38.871 0.300 1 50 8 8 ASN N N 119.618 0.300 1 51 8 8 ASN ND2 N 112.602 0.300 1 52 9 9 VAL H H 8.052 0.030 1 53 9 9 VAL HA H 4.082 0.030 1 54 9 9 VAL HB H 2.096 0.030 1 55 9 9 VAL HG1 H 0.924 0.030 2 56 9 9 VAL C C 176.223 0.300 1 57 9 9 VAL CA C 62.735 0.300 1 58 9 9 VAL CB C 32.624 0.300 1 59 9 9 VAL CG1 C 21.163 0.300 2 60 9 9 VAL N N 120.413 0.300 1 61 10 10 GLN H H 8.357 0.030 1 62 10 10 GLN HA H 4.292 0.030 1 63 10 10 GLN HB3 H 2.015 0.030 2 64 10 10 GLN HG3 H 2.344 0.030 2 65 10 10 GLN HE21 H 6.793 0.030 2 66 10 10 GLN HE22 H 7.475 0.030 2 67 10 10 GLN C C 175.745 0.300 1 68 10 10 GLN CA C 56.281 0.300 1 69 10 10 GLN CB C 29.706 0.300 1 70 10 10 GLN CG C 33.988 0.300 1 71 10 10 GLN N N 123.110 0.300 1 72 10 10 GLN NE2 N 112.119 0.300 1 73 11 11 ASP H H 8.196 0.030 1 74 11 11 ASP HA H 4.557 0.030 1 75 11 11 ASP HB2 H 2.605 0.030 2 76 11 11 ASP HB3 H 2.705 0.030 2 77 11 11 ASP C C 176.124 0.300 1 78 11 11 ASP CA C 54.703 0.300 1 79 11 11 ASP CB C 41.214 0.300 1 80 11 11 ASP N N 121.328 0.300 1 81 12 12 LEU H H 7.979 0.030 1 82 12 12 LEU HA H 4.280 0.030 1 83 12 12 LEU HB3 H 1.602 0.030 2 84 12 12 LEU HG H 1.603 0.030 1 85 12 12 LEU HD1 H 0.904 0.030 2 86 12 12 LEU HD2 H 0.845 0.030 2 87 12 12 LEU C C 177.018 0.300 1 88 12 12 LEU CA C 55.456 0.300 1 89 12 12 LEU CB C 42.364 0.300 1 90 12 12 LEU CG C 27.064 0.300 1 91 12 12 LEU CD1 C 25.075 0.300 2 92 12 12 LEU CD2 C 23.646 0.300 2 93 12 12 LEU N N 122.046 0.300 1 94 13 13 LEU H H 8.093 0.030 1 95 13 13 LEU HA H 4.367 0.030 1 96 13 13 LEU HB3 H 1.615 0.030 2 97 13 13 LEU C C 176.659 0.300 1 98 13 13 LEU CA C 55.053 0.300 1 99 13 13 LEU CB C 42.200 0.300 1 100 13 13 LEU CG C 27.144 0.300 1 101 13 13 LEU CD1 C 24.527 0.300 2 102 13 13 LEU N N 122.386 0.300 1 103 14 14 LEU H H 8.011 0.030 1 104 14 14 LEU HA H 4.341 0.030 1 105 14 14 LEU HB3 H 1.602 0.030 2 106 14 14 LEU C C 176.605 0.300 1 107 14 14 LEU CA C 55.071 0.300 1 108 14 14 LEU CB C 42.226 0.300 1 109 14 14 LEU CG C 27.574 0.300 1 110 14 14 LEU CD1 C 24.527 0.300 2 111 14 14 LEU N N 122.721 0.300 1 112 15 15 LEU H H 7.982 0.030 1 113 15 15 LEU HA H 4.464 0.030 1 114 15 15 LEU HB3 H 1.631 0.030 2 115 15 15 LEU HD1 H 0.866 0.030 2 116 15 15 LEU HD2 H 0.906 0.030 2 117 15 15 LEU C C 176.508 0.300 1 118 15 15 LEU CA C 54.791 0.300 1 119 15 15 LEU CB C 43.187 0.300 1 120 15 15 LEU CG C 27.329 0.300 1 121 15 15 LEU CD1 C 23.602 0.300 2 122 15 15 LEU CD2 C 25.211 0.300 2 123 15 15 LEU N N 122.818 0.300 1 124 16 16 ASP H H 8.447 0.030 1 125 16 16 ASP HA H 4.699 0.030 1 126 16 16 ASP HB2 H 2.722 0.030 2 127 16 16 ASP HB3 H 2.630 0.030 2 128 16 16 ASP C C 175.480 0.300 1 129 16 16 ASP CA C 54.299 0.300 1 130 16 16 ASP CB C 41.412 0.300 1 131 16 16 ASP N N 120.755 0.300 1 132 17 17 VAL H H 7.593 0.030 1 133 17 17 VAL HA H 5.087 0.030 1 134 17 17 VAL HB H 1.614 0.030 1 135 17 17 VAL HG1 H 0.637 0.030 2 136 17 17 VAL HG2 H 0.664 0.030 2 137 17 17 VAL C C 175.590 0.300 1 138 17 17 VAL CA C 58.199 0.300 1 139 17 17 VAL CB C 36.499 0.300 1 140 17 17 VAL CG1 C 18.004 0.300 2 141 17 17 VAL CG2 C 21.596 0.300 2 142 17 17 VAL N N 110.986 0.300 1 143 18 18 ALA H H 8.425 0.030 1 144 18 18 ALA HA H 4.615 0.030 1 145 18 18 ALA HB H 1.205 0.030 1 146 18 18 ALA C C 176.308 0.300 1 147 18 18 ALA CA C 49.161 0.300 1 148 18 18 ALA CB C 17.206 0.300 1 149 18 18 ALA N N 125.708 0.300 1 150 19 19 PRO HA H 4.331 0.030 1 151 19 19 PRO HB2 H 2.303 0.030 2 152 19 19 PRO HB3 H 1.893 0.030 2 153 19 19 PRO HG3 H 2.053 0.030 2 154 19 19 PRO HD2 H 3.857 0.030 2 155 19 19 PRO HD3 H 3.315 0.030 2 156 19 19 PRO C C 175.344 0.300 1 157 19 19 PRO CA C 64.423 0.300 1 158 19 19 PRO CB C 32.626 0.300 1 159 19 19 PRO CG C 27.137 0.300 1 160 19 19 PRO CD C 51.018 0.300 1 161 20 20 LEU H H 7.329 0.030 1 162 20 20 LEU HA H 4.530 0.030 1 163 20 20 LEU HB2 H 1.644 0.030 2 164 20 20 LEU HB3 H 1.365 0.030 2 165 20 20 LEU HD1 H 1.127 0.030 2 166 20 20 LEU HD2 H 0.859 0.030 2 167 20 20 LEU C C 175.895 0.300 1 168 20 20 LEU CA C 52.598 0.300 1 169 20 20 LEU CB C 48.337 0.300 1 170 20 20 LEU CD1 C 24.396 0.300 2 171 20 20 LEU CD2 C 27.335 0.300 2 172 20 20 LEU N N 114.067 0.300 1 173 21 21 SER H H 10.604 0.030 1 174 21 21 SER HA H 4.643 0.030 1 175 21 21 SER HB2 H 4.102 0.030 2 176 21 21 SER HB3 H 3.540 0.030 2 177 21 21 SER C C 172.784 0.300 1 178 21 21 SER CA C 59.490 0.300 1 179 21 21 SER CB C 62.789 0.300 1 180 21 21 SER N N 119.662 0.300 1 181 22 22 LEU H H 8.933 0.030 1 182 22 22 LEU HA H 5.443 0.030 1 183 22 22 LEU HB2 H 1.795 0.030 2 184 22 22 LEU HB3 H 1.457 0.030 2 185 22 22 LEU HG H 1.872 0.030 1 186 22 22 LEU HD1 H 0.926 0.030 2 187 22 22 LEU HD2 H 0.975 0.030 2 188 22 22 LEU C C 177.545 0.300 1 189 22 22 LEU CA C 52.686 0.300 1 190 22 22 LEU CB C 47.050 0.300 1 191 22 22 LEU CG C 26.339 0.300 1 192 22 22 LEU CD1 C 24.595 0.300 2 193 22 22 LEU CD2 C 27.020 0.300 2 194 22 22 LEU N N 120.859 0.300 1 195 23 23 GLY H H 9.302 0.030 1 196 23 23 GLY HA2 H 4.397 0.030 2 197 23 23 GLY HA3 H 3.974 0.030 2 198 23 23 GLY C C 170.262 0.300 1 199 23 23 GLY CA C 46.617 0.300 1 200 23 23 GLY N N 111.592 0.300 1 201 24 24 LEU H H 8.481 0.030 1 202 24 24 LEU HA H 6.257 0.030 1 203 24 24 LEU HB2 H 1.363 0.030 2 204 24 24 LEU HB3 H 1.801 0.030 2 205 24 24 LEU HG H 1.282 0.030 1 206 24 24 LEU HD1 H 0.241 0.030 2 207 24 24 LEU HD2 H 0.491 0.030 2 208 24 24 LEU C C 174.774 0.300 1 209 24 24 LEU CA C 52.687 0.300 1 210 24 24 LEU CB C 45.694 0.300 1 211 24 24 LEU CG C 26.362 0.300 1 212 24 24 LEU CD1 C 25.559 0.300 2 213 24 24 LEU CD2 C 27.050 0.300 2 214 24 24 LEU N N 119.702 0.300 1 215 25 25 GLU H H 7.383 0.030 1 216 25 25 GLU HA H 4.805 0.030 1 217 25 25 GLU HB2 H 2.066 0.030 2 218 25 25 GLU HB3 H 2.225 0.030 2 219 25 25 GLU C C 177.770 0.300 1 220 25 25 GLU CA C 55.544 0.300 1 221 25 25 GLU CB C 32.456 0.300 1 222 25 25 GLU CG C 37.268 0.300 1 223 25 25 GLU N N 118.266 0.300 1 224 26 26 THR H H 9.595 0.030 1 225 26 26 THR HA H 4.803 0.030 1 226 26 26 THR HG2 H 1.113 0.030 1 227 26 26 THR C C 174.012 0.300 1 228 26 26 THR CA C 60.841 0.300 1 229 26 26 THR CB C 69.983 0.300 1 230 26 26 THR CG2 C 23.064 0.300 1 231 26 26 THR N N 123.292 0.300 1 232 27 27 ALA H H 8.378 0.030 1 233 27 27 ALA HA H 3.981 0.030 1 234 27 27 ALA HB H 0.784 0.030 1 235 27 27 ALA C C 177.517 0.300 1 236 27 27 ALA CA C 53.710 0.300 1 237 27 27 ALA CB C 19.419 0.300 1 238 27 27 ALA N N 119.189 0.300 1 239 28 28 GLY H H 8.138 0.030 1 240 28 28 GLY HA2 H 4.161 0.030 2 241 28 28 GLY HA3 H 3.565 0.030 2 242 28 28 GLY C C 174.883 0.300 1 243 28 28 GLY CA C 44.608 0.300 1 244 28 28 GLY N N 108.365 0.300 1 245 29 29 GLY H H 8.264 0.030 1 246 29 29 GLY HA2 H 3.434 0.030 2 247 29 29 GLY HA3 H 4.057 0.030 2 248 29 29 GLY C C 174.473 0.300 1 249 29 29 GLY CA C 45.478 0.300 1 250 29 29 GLY N N 107.762 0.300 1 251 30 30 VAL H H 7.152 0.030 1 252 30 30 VAL HA H 4.092 0.030 1 253 30 30 VAL HB H 1.756 0.030 1 254 30 30 VAL HG1 H 0.807 0.030 2 255 30 30 VAL HG2 H 0.816 0.030 2 256 30 30 VAL C C 174.596 0.300 1 257 30 30 VAL CA C 62.174 0.300 1 258 30 30 VAL CB C 34.062 0.300 1 259 30 30 VAL CG1 C 22.394 0.300 2 260 30 30 VAL CG2 C 21.446 0.300 2 261 30 30 VAL N N 123.177 0.300 1 262 31 31 MET H H 8.512 0.030 1 263 31 31 MET HA H 3.919 0.030 1 264 31 31 MET HB3 H 2.269 0.030 2 265 31 31 MET HG3 H 2.230 0.030 2 266 31 31 MET HE H 1.757 0.030 1 267 31 31 MET C C 174.500 0.300 1 268 31 31 MET CA C 54.930 0.300 1 269 31 31 MET CB C 33.599 0.300 1 270 31 31 MET CG C 33.799 0.300 1 271 31 31 MET CE C 18.253 0.300 1 272 31 31 MET N N 124.870 0.300 1 273 32 32 THR H H 8.822 0.030 1 274 32 32 THR HA H 4.470 0.030 1 275 32 32 THR HB H 4.015 0.030 1 276 32 32 THR HG2 H 1.251 0.030 1 277 32 32 THR C C 173.469 0.300 1 278 32 32 THR CA C 62.314 0.300 1 279 32 32 THR CB C 69.439 0.300 1 280 32 32 THR CG2 C 21.378 0.300 1 281 32 32 THR N N 130.164 0.300 1 282 33 33 ALA H H 8.739 0.030 1 283 33 33 ALA HA H 4.112 0.030 1 284 33 33 ALA HB H 1.196 0.030 1 285 33 33 ALA C C 176.811 0.300 1 286 33 33 ALA CA C 52.739 0.300 1 287 33 33 ALA CB C 18.838 0.300 1 288 33 33 ALA N N 128.658 0.300 1 289 34 34 LEU H H 8.681 0.030 1 290 34 34 LEU HA H 4.415 0.030 1 291 34 34 LEU HB2 H 1.207 0.030 2 292 34 34 LEU HB3 H 0.481 0.030 2 293 34 34 LEU HG H 1.458 0.030 1 294 34 34 LEU HD1 H 0.587 0.030 2 295 34 34 LEU HD2 H 0.668 0.030 2 296 34 34 LEU C C 176.315 0.300 1 297 34 34 LEU CA C 56.719 0.300 1 298 34 34 LEU CB C 43.862 0.300 1 299 34 34 LEU CG C 30.692 0.300 1 300 34 34 LEU CD1 C 24.605 0.300 2 301 34 34 LEU CD2 C 25.447 0.300 2 302 34 34 LEU N N 123.476 0.300 1 303 35 35 ILE H H 7.677 0.030 1 304 35 35 ILE HA H 4.366 0.030 1 305 35 35 ILE HB H 1.820 0.030 1 306 35 35 ILE HG12 H 1.413 0.030 2 307 35 35 ILE HG13 H 1.095 0.030 2 308 35 35 ILE HG2 H 0.782 0.030 1 309 35 35 ILE HD1 H 0.888 0.030 1 310 35 35 ILE C C 174.999 0.300 1 311 35 35 ILE CA C 59.281 0.300 1 312 35 35 ILE CB C 40.535 0.300 1 313 35 35 ILE CG1 C 27.293 0.300 1 314 35 35 ILE CG2 C 16.295 0.300 1 315 35 35 ILE CD1 C 13.844 0.300 1 316 35 35 ILE N N 117.817 0.300 1 317 36 36 LYS H H 8.574 0.030 1 318 36 36 LYS HA H 4.160 0.030 1 319 36 36 LYS HB2 H 1.771 0.030 2 320 36 36 LYS HB3 H 1.624 0.030 2 321 36 36 LYS HD3 H 1.415 0.030 2 322 36 36 LYS C C 176.949 0.300 1 323 36 36 LYS CA C 56.053 0.300 1 324 36 36 LYS CB C 33.364 0.300 1 325 36 36 LYS CG C 25.051 0.300 1 326 36 36 LYS CD C 28.755 0.300 1 327 36 36 LYS CE C 41.959 0.300 1 328 36 36 LYS N N 125.668 0.300 1 329 37 37 ARG H H 8.297 0.030 1 330 37 37 ARG HA H 3.436 0.030 1 331 37 37 ARG HB2 H 1.902 0.030 2 332 37 37 ARG HB3 H 1.560 0.030 2 333 37 37 ARG HG2 H 1.426 0.030 2 334 37 37 ARG HG3 H 1.208 0.030 2 335 37 37 ARG HD2 H 2.990 0.030 2 336 37 37 ARG HD3 H 3.193 0.030 2 337 37 37 ARG C C 175.572 0.300 1 338 37 37 ARG CA C 57.859 0.300 1 339 37 37 ARG CB C 30.037 0.300 1 340 37 37 ARG CG C 27.386 0.300 1 341 37 37 ARG CD C 43.392 0.300 1 342 37 37 ARG N N 125.062 0.300 1 343 38 38 ASN H H 9.394 0.030 1 344 38 38 ASN HA H 4.164 0.030 1 345 38 38 ASN HB2 H 3.171 0.030 2 346 38 38 ASN HB3 H 3.022 0.030 2 347 38 38 ASN HD21 H 7.505 0.030 2 348 38 38 ASN HD22 H 6.459 0.030 2 349 38 38 ASN C C 174.651 0.300 1 350 38 38 ASN CA C 55.317 0.300 1 351 38 38 ASN CB C 36.295 0.300 1 352 38 38 ASN N N 118.663 0.300 1 353 38 38 ASN ND2 N 110.462 0.300 1 354 39 39 SER H H 7.817 0.030 1 355 39 39 SER HA H 4.507 0.030 1 356 39 39 SER HB2 H 3.724 0.030 2 357 39 39 SER HB3 H 3.911 0.030 2 358 39 39 SER C C 173.725 0.300 1 359 39 39 SER CA C 59.894 0.300 1 360 39 39 SER CB C 64.010 0.300 1 361 39 39 SER N N 115.433 0.300 1 362 40 40 THR H H 8.345 0.030 1 363 40 40 THR HA H 4.470 0.030 1 364 40 40 THR HB H 4.156 0.030 1 365 40 40 THR HG2 H 1.272 0.030 1 366 40 40 THR C C 173.547 0.300 1 367 40 40 THR CA C 63.524 0.300 1 368 40 40 THR CB C 69.729 0.300 1 369 40 40 THR CG2 C 22.511 0.300 1 370 40 40 THR N N 118.289 0.300 1 371 41 41 ILE H H 7.675 0.030 1 372 41 41 ILE HA H 4.231 0.030 1 373 41 41 ILE HB H 1.557 0.030 1 374 41 41 ILE HG12 H 1.216 0.030 2 375 41 41 ILE HG13 H 0.665 0.030 2 376 41 41 ILE HG2 H 0.730 0.030 1 377 41 41 ILE HD1 H 0.688 0.030 1 378 41 41 ILE C C 173.677 0.300 1 379 41 41 ILE CA C 58.000 0.300 1 380 41 41 ILE CB C 39.102 0.300 1 381 41 41 ILE CG1 C 25.929 0.300 1 382 41 41 ILE CG2 C 18.416 0.300 1 383 41 41 ILE CD1 C 13.284 0.300 1 384 41 41 ILE N N 118.068 0.300 1 385 42 42 PRO HA H 4.449 0.030 1 386 42 42 PRO HB2 H 2.370 0.030 2 387 42 42 PRO HB3 H 2.193 0.030 2 388 42 42 PRO HG2 H 1.938 0.030 2 389 42 42 PRO HG3 H 1.833 0.030 2 390 42 42 PRO HD2 H 3.435 0.030 2 391 42 42 PRO HD3 H 3.732 0.030 2 392 42 42 PRO C C 175.874 0.300 1 393 42 42 PRO CA C 62.349 0.300 1 394 42 42 PRO CB C 36.479 0.300 1 395 42 42 PRO CG C 24.677 0.300 1 396 42 42 PRO CD C 51.328 0.300 1 397 43 43 THR H H 8.426 0.030 1 398 43 43 THR HA H 4.600 0.030 1 399 43 43 THR HB H 4.619 0.030 1 400 43 43 THR HG2 H 1.069 0.030 1 401 43 43 THR C C 169.817 0.300 1 402 43 43 THR CA C 61.788 0.300 1 403 43 43 THR CB C 68.299 0.300 1 404 43 43 THR CG2 C 19.559 0.300 1 405 43 43 THR N N 115.257 0.300 1 406 44 44 LYS H H 7.737 0.030 1 407 44 44 LYS HA H 5.562 0.030 1 408 44 44 LYS HB3 H 1.788 0.030 2 409 44 44 LYS HG3 H 1.254 0.030 2 410 44 44 LYS HD3 H 1.606 0.030 2 411 44 44 LYS HE3 H 2.897 0.030 2 412 44 44 LYS C C 175.390 0.300 1 413 44 44 LYS CA C 55.159 0.300 1 414 44 44 LYS CB C 35.624 0.300 1 415 44 44 LYS CG C 24.385 0.300 1 416 44 44 LYS CD C 29.577 0.300 1 417 44 44 LYS CE C 41.851 0.300 1 418 44 44 LYS N N 123.683 0.300 1 419 45 45 GLN H H 9.034 0.030 1 420 45 45 GLN HA H 4.818 0.030 1 421 45 45 GLN HB2 H 2.098 0.030 2 422 45 45 GLN HB3 H 1.715 0.030 2 423 45 45 GLN HG3 H 2.384 0.030 2 424 45 45 GLN C C 174.080 0.300 1 425 45 45 GLN CA C 54.527 0.300 1 426 45 45 GLN CB C 33.565 0.300 1 427 45 45 GLN CG C 33.494 0.300 1 428 45 45 GLN N N 123.570 0.300 1 429 46 46 THR H H 8.588 0.030 1 430 46 46 THR HA H 5.691 0.030 1 431 46 46 THR HB H 3.721 0.030 1 432 46 46 THR HG2 H 1.128 0.030 1 433 46 46 THR C C 174.004 0.300 1 434 46 46 THR CA C 61.458 0.300 1 435 46 46 THR CB C 71.987 0.300 1 436 46 46 THR CG2 C 22.203 0.300 1 437 46 46 THR N N 120.707 0.300 1 438 47 47 GLN H H 9.141 0.030 1 439 47 47 GLN HA H 4.546 0.030 1 440 47 47 GLN HB2 H 1.807 0.030 2 441 47 47 GLN HB3 H 1.872 0.030 2 442 47 47 GLN HE21 H 6.499 0.030 2 443 47 47 GLN HE22 H 7.280 0.030 2 444 47 47 GLN C C 172.719 0.300 1 445 47 47 GLN CA C 55.036 0.300 1 446 47 47 GLN CB C 33.799 0.300 1 447 47 47 GLN N N 125.874 0.300 1 448 47 47 GLN NE2 N 109.950 0.300 1 449 48 48 ILE H H 8.246 0.030 1 450 48 48 ILE HA H 4.699 0.030 1 451 48 48 ILE HB H 1.694 0.030 1 452 48 48 ILE HG12 H 1.558 0.030 2 453 48 48 ILE HG13 H 1.087 0.030 2 454 48 48 ILE HG2 H 0.870 0.030 1 455 48 48 ILE HD1 H 0.825 0.030 1 456 48 48 ILE C C 174.861 0.300 1 457 48 48 ILE CA C 60.297 0.300 1 458 48 48 ILE CB C 37.767 0.300 1 459 48 48 ILE CG1 C 28.207 0.300 1 460 48 48 ILE CG2 C 18.371 0.300 1 461 48 48 ILE CD1 C 12.055 0.300 1 462 48 48 ILE N N 122.580 0.300 1 463 49 49 PHE H H 9.464 0.030 1 464 49 49 PHE HA H 4.959 0.030 1 465 49 49 PHE HB2 H 2.519 0.030 2 466 49 49 PHE HB3 H 3.386 0.030 2 467 49 49 PHE HD1 H 7.182 0.030 1 468 49 49 PHE HD2 H 7.182 0.030 1 469 49 49 PHE HE1 H 7.094 0.030 1 470 49 49 PHE HE2 H 7.094 0.030 1 471 49 49 PHE HZ H 6.905 0.030 1 472 49 49 PHE C C 173.183 0.300 1 473 49 49 PHE CA C 56.967 0.300 1 474 49 49 PHE CB C 42.817 0.300 1 475 49 49 PHE CD1 C 131.913 0.300 1 476 49 49 PHE CD2 C 131.913 0.300 1 477 49 49 PHE CE1 C 130.580 0.300 1 478 49 49 PHE CE2 C 130.580 0.300 1 479 49 49 PHE CZ C 128.959 0.300 1 480 49 49 PHE N N 127.314 0.300 1 481 50 50 THR H H 8.690 0.030 1 482 50 50 THR HA H 4.900 0.030 1 483 50 50 THR HG2 H 1.223 0.030 1 484 50 50 THR C C 173.541 0.300 1 485 50 50 THR CA C 58.973 0.300 1 486 50 50 THR CB C 70.189 0.300 1 487 50 50 THR CG2 C 17.385 0.300 1 488 50 50 THR N N 114.390 0.300 1 489 51 51 THR H H 8.650 0.030 1 490 51 51 THR HG2 H 1.070 0.030 1 491 51 51 THR C C 173.536 0.300 1 492 51 51 THR CA C 60.157 0.300 1 493 51 51 THR CB C 68.874 0.300 1 494 51 51 THR CG2 C 23.685 0.300 1 495 51 51 THR N N 109.644 0.300 1 496 52 52 TYR H H 7.999 0.030 1 497 52 52 TYR HA H 4.581 0.030 1 498 52 52 TYR HB2 H 2.742 0.030 2 499 52 52 TYR HB3 H 3.038 0.030 2 500 52 52 TYR HD1 H 7.074 0.030 1 501 52 52 TYR HD2 H 7.074 0.030 1 502 52 52 TYR HE1 H 6.785 0.030 1 503 52 52 TYR HE2 H 6.785 0.030 1 504 52 52 TYR C C 174.553 0.300 1 505 52 52 TYR CA C 58.491 0.300 1 506 52 52 TYR CB C 41.584 0.300 1 507 52 52 TYR CD1 C 133.255 0.300 1 508 52 52 TYR CD2 C 133.255 0.300 1 509 52 52 TYR CE1 C 118.301 0.300 1 510 52 52 TYR CE2 C 118.301 0.300 1 511 52 52 TYR N N 119.180 0.300 1 512 53 53 SER H H 8.455 0.030 1 513 53 53 SER HA H 4.643 0.030 1 514 53 53 SER HB3 H 3.827 0.030 2 515 53 53 SER C C 173.554 0.300 1 516 53 53 SER CA C 56.457 0.300 1 517 53 53 SER CB C 65.896 0.300 1 518 53 53 SER N N 113.061 0.300 1 519 54 54 ASP H H 8.647 0.030 1 520 54 54 ASP HA H 4.409 0.030 1 521 54 54 ASP HB3 H 2.520 0.030 2 522 54 54 ASP C C 176.792 0.300 1 523 54 54 ASP CA C 55.633 0.300 1 524 54 54 ASP CB C 40.852 0.300 1 525 54 54 ASP N N 122.344 0.300 1 526 55 55 ASN H H 9.004 0.030 1 527 55 55 ASN HA H 4.260 0.030 1 528 55 55 ASN HB2 H 2.971 0.030 2 529 55 55 ASN HB3 H 2.825 0.030 2 530 55 55 ASN HD21 H 6.630 0.030 2 531 55 55 ASN HD22 H 7.405 0.030 2 532 55 55 ASN C C 174.034 0.300 1 533 55 55 ASN CA C 55.123 0.300 1 534 55 55 ASN CB C 36.483 0.300 1 535 55 55 ASN N N 116.229 0.300 1 536 55 55 ASN ND2 N 112.554 0.300 1 537 56 56 GLN H H 7.634 0.030 1 538 56 56 GLN HA H 4.442 0.030 1 539 56 56 GLN HB3 H 2.732 0.030 2 540 56 56 GLN C C 176.571 0.300 1 541 56 56 GLN CA C 55.018 0.300 1 542 56 56 GLN CB C 30.508 0.300 1 543 56 56 GLN N N 124.155 0.300 1 544 57 57 PRO HA H 4.874 0.030 1 545 57 57 PRO HB3 H 2.181 0.030 2 546 57 57 PRO HG3 H 2.091 0.030 2 547 57 57 PRO HD2 H 4.110 0.030 2 548 57 57 PRO HD3 H 3.881 0.030 2 549 57 57 PRO C C 175.665 0.300 1 550 57 57 PRO CA C 64.243 0.300 1 551 57 57 PRO CB C 32.172 0.300 1 552 57 57 PRO CG C 26.647 0.300 1 553 57 57 PRO CD C 51.160 0.300 1 554 58 58 GLY H H 7.080 0.030 1 555 58 58 GLY HA3 H 4.057 0.030 2 556 58 58 GLY C C 172.357 0.300 1 557 58 58 GLY CA C 45.495 0.300 1 558 58 58 GLY N N 107.362 0.300 1 559 59 59 VAL H H 8.546 0.030 1 560 59 59 VAL HA H 4.186 0.030 1 561 59 59 VAL HB H 1.740 0.030 1 562 59 59 VAL HG1 H 0.628 0.030 2 563 59 59 VAL HG2 H 0.761 0.030 2 564 59 59 VAL C C 172.589 0.300 1 565 59 59 VAL CA C 59.754 0.300 1 566 59 59 VAL CB C 35.460 0.300 1 567 59 59 VAL CG1 C 22.986 0.300 2 568 59 59 VAL CG2 C 19.877 0.300 2 569 59 59 VAL N N 109.757 0.300 1 570 60 60 LEU H H 8.286 0.030 1 571 60 60 LEU HA H 4.543 0.030 1 572 60 60 LEU HD2 H 0.620 0.030 2 573 60 60 LEU C C 174.631 0.300 1 574 60 60 LEU CA C 53.651 0.300 1 575 60 60 LEU CB C 42.241 0.300 1 576 60 60 LEU CD2 C 22.806 0.300 2 577 60 60 LEU N N 125.003 0.300 1 578 61 61 ILE H H 8.820 0.030 1 579 61 61 ILE HA H 3.815 0.030 1 580 61 61 ILE HB H 0.703 0.030 1 581 61 61 ILE HG12 H 0.877 0.030 2 582 61 61 ILE HG13 H 0.549 0.030 2 583 61 61 ILE HG2 H 0.383 0.030 1 584 61 61 ILE HD1 H 0.244 0.030 1 585 61 61 ILE C C 173.721 0.300 1 586 61 61 ILE CA C 58.123 0.300 1 587 61 61 ILE CB C 33.623 0.300 1 588 61 61 ILE CG1 C 25.876 0.300 1 589 61 61 ILE CG2 C 17.671 0.300 1 590 61 61 ILE CD1 C 9.259 0.300 1 591 61 61 ILE N N 130.129 0.300 1 592 62 62 GLN H H 9.055 0.030 1 593 62 62 GLN HA H 4.730 0.030 1 594 62 62 GLN HB3 H 1.970 0.030 2 595 62 62 GLN HG3 H 2.259 0.030 2 596 62 62 GLN HE21 H 6.672 0.030 2 597 62 62 GLN HE22 H 8.102 0.030 2 598 62 62 GLN C C 173.698 0.300 1 599 62 62 GLN CA C 54.791 0.300 1 600 62 62 GLN CB C 31.998 0.300 1 601 62 62 GLN CG C 36.009 0.300 1 602 62 62 GLN N N 127.115 0.300 1 603 62 62 GLN NE2 N 115.688 0.300 1 604 63 63 VAL H H 8.708 0.030 1 605 63 63 VAL HA H 4.619 0.030 1 606 63 63 VAL HB H 1.756 0.030 1 607 63 63 VAL HG1 H 0.863 0.030 2 608 63 63 VAL HG2 H 0.722 0.030 2 609 63 63 VAL C C 174.327 0.300 1 610 63 63 VAL CA C 62.121 0.300 1 611 63 63 VAL CB C 32.217 0.300 1 612 63 63 VAL CG1 C 21.229 0.300 2 613 63 63 VAL CG2 C 21.415 0.300 2 614 63 63 VAL N N 123.554 0.300 1 615 64 64 TYR H H 8.980 0.030 1 616 64 64 TYR HA H 5.236 0.030 1 617 64 64 TYR HB2 H 2.313 0.030 2 618 64 64 TYR HB3 H 2.534 0.030 2 619 64 64 TYR HD1 H 7.108 0.030 1 620 64 64 TYR HD2 H 7.108 0.030 1 621 64 64 TYR HE1 H 6.817 0.030 1 622 64 64 TYR HE2 H 6.817 0.030 1 623 64 64 TYR C C 174.155 0.300 1 624 64 64 TYR CA C 57.386 0.300 1 625 64 64 TYR CB C 46.475 0.300 1 626 64 64 TYR CD1 C 133.470 0.300 1 627 64 64 TYR CD2 C 133.470 0.300 1 628 64 64 TYR CE1 C 117.956 0.300 1 629 64 64 TYR CE2 C 117.956 0.300 1 630 64 64 TYR N N 127.254 0.300 1 631 65 65 GLU H H 9.069 0.030 1 632 65 65 GLU HA H 5.747 0.030 1 633 65 65 GLU HB2 H 2.047 0.030 2 634 65 65 GLU HB3 H 1.824 0.030 2 635 65 65 GLU HG2 H 2.107 0.030 2 636 65 65 GLU HG3 H 2.160 0.030 2 637 65 65 GLU C C 175.591 0.300 1 638 65 65 GLU CA C 53.072 0.300 1 639 65 65 GLU CB C 34.142 0.300 1 640 65 65 GLU CG C 37.226 0.300 1 641 65 65 GLU N N 118.656 0.300 1 642 66 66 GLY H H 8.871 0.030 1 643 66 66 GLY HA2 H 4.945 0.030 2 644 66 66 GLY HA3 H 3.663 0.030 2 645 66 66 GLY C C 172.623 0.300 1 646 66 66 GLY CA C 43.918 0.300 1 647 66 66 GLY N N 111.875 0.300 1 648 67 67 GLU H H 8.151 0.030 1 649 67 67 GLU HA H 4.543 0.030 1 650 67 67 GLU HB2 H 1.521 0.030 2 651 67 67 GLU HB3 H 2.412 0.030 2 652 67 67 GLU HG3 H 2.223 0.030 2 653 67 67 GLU C C 177.781 0.300 1 654 67 67 GLU CA C 54.334 0.300 1 655 67 67 GLU CB C 31.555 0.300 1 656 67 67 GLU CG C 36.496 0.300 1 657 67 67 GLU N N 111.223 0.300 1 658 68 68 ARG H H 8.497 0.030 1 659 68 68 ARG HA H 4.374 0.030 1 660 68 68 ARG HB3 H 2.539 0.030 2 661 68 68 ARG HG3 H 1.554 0.030 2 662 68 68 ARG HD2 H 2.936 0.030 2 663 68 68 ARG HD3 H 3.298 0.030 2 664 68 68 ARG HE H 9.243 0.030 1 665 68 68 ARG C C 177.726 0.300 1 666 68 68 ARG CA C 53.615 0.300 1 667 68 68 ARG CB C 27.635 0.300 1 668 68 68 ARG CG C 27.114 0.300 1 669 68 68 ARG CD C 39.784 0.300 1 670 68 68 ARG N N 118.602 0.300 1 671 68 68 ARG NE N 81.350 0.300 1 672 69 69 ALA H H 7.337 0.030 1 673 69 69 ALA HA H 4.068 0.030 1 674 69 69 ALA HB H 1.322 0.030 1 675 69 69 ALA C C 176.615 0.300 1 676 69 69 ALA CA C 54.686 0.300 1 677 69 69 ALA CB C 21.095 0.300 1 678 69 69 ALA N N 121.727 0.300 1 679 70 70 MET H H 8.705 0.030 1 680 70 70 MET HA H 5.145 0.030 1 681 70 70 MET HB2 H 1.817 0.030 2 682 70 70 MET HB3 H 2.028 0.030 2 683 70 70 MET HG2 H 2.396 0.030 2 684 70 70 MET HG3 H 2.538 0.030 2 685 70 70 MET HE H 1.896 0.030 1 686 70 70 MET C C 177.974 0.300 1 687 70 70 MET CA C 51.773 0.300 1 688 70 70 MET CB C 30.528 0.300 1 689 70 70 MET CG C 32.358 0.300 1 690 70 70 MET CE C 16.777 0.300 1 691 70 70 MET N N 114.340 0.300 1 692 71 71 THR H H 8.166 0.030 1 693 71 71 THR HA H 2.854 0.030 1 694 71 71 THR HB H 2.016 0.030 1 695 71 71 THR HG2 H 0.420 0.030 1 696 71 71 THR C C 176.654 0.300 1 697 71 71 THR CA C 66.196 0.300 1 698 71 71 THR CB C 69.640 0.300 1 699 71 71 THR CG2 C 23.689 0.300 1 700 71 71 THR N N 114.284 0.300 1 701 72 72 LYS H H 8.130 0.030 1 702 72 72 LYS HA H 4.133 0.030 1 703 72 72 LYS HB2 H 1.801 0.030 2 704 72 72 LYS HB3 H 1.619 0.030 2 705 72 72 LYS HG3 H 1.157 0.030 2 706 72 72 LYS HE3 H 2.969 0.030 2 707 72 72 LYS C C 176.278 0.300 1 708 72 72 LYS CA C 58.070 0.300 1 709 72 72 LYS CB C 30.976 0.300 1 710 72 72 LYS CG C 23.376 0.300 1 711 72 72 LYS CD C 29.077 0.300 1 712 72 72 LYS CE C 42.173 0.300 1 713 72 72 LYS N N 118.177 0.300 1 714 73 73 ASP H H 7.252 0.030 1 715 73 73 ASP HA H 4.853 0.030 1 716 73 73 ASP HB2 H 2.303 0.030 2 717 73 73 ASP HB3 H 2.786 0.030 2 718 73 73 ASP C C 174.831 0.300 1 719 73 73 ASP CA C 54.633 0.300 1 720 73 73 ASP CB C 42.489 0.300 1 721 73 73 ASP N N 117.547 0.300 1 722 74 74 ASN H H 7.787 0.030 1 723 74 74 ASN HA H 5.246 0.030 1 724 74 74 ASN HB2 H 3.120 0.030 2 725 74 74 ASN HB3 H 2.189 0.030 2 726 74 74 ASN HD21 H 6.830 0.030 2 727 74 74 ASN HD22 H 5.186 0.030 2 728 74 74 ASN C C 172.873 0.300 1 729 74 74 ASN CA C 51.831 0.300 1 730 74 74 ASN CB C 40.739 0.300 1 731 74 74 ASN N N 120.146 0.300 1 732 74 74 ASN ND2 N 107.273 0.300 1 733 75 75 ASN H H 8.628 0.030 1 734 75 75 ASN HA H 5.201 0.030 1 735 75 75 ASN HB2 H 2.971 0.030 2 736 75 75 ASN HB3 H 2.792 0.030 2 737 75 75 ASN HD21 H 6.815 0.030 2 738 75 75 ASN HD22 H 8.431 0.030 2 739 75 75 ASN C C 174.008 0.300 1 740 75 75 ASN CA C 52.809 0.300 1 741 75 75 ASN CB C 40.597 0.300 1 742 75 75 ASN N N 116.339 0.300 1 743 75 75 ASN ND2 N 114.939 0.300 1 744 76 76 LEU H H 8.664 0.030 1 745 76 76 LEU HA H 3.392 0.030 1 746 76 76 LEU HB2 H 1.611 0.030 2 747 76 76 LEU HB3 H 1.145 0.030 2 748 76 76 LEU HG H 0.986 0.030 1 749 76 76 LEU HD1 H 0.284 0.030 2 750 76 76 LEU HD2 H 0.701 0.030 2 751 76 76 LEU C C 176.416 0.300 1 752 76 76 LEU CA C 55.715 0.300 1 753 76 76 LEU CB C 41.441 0.300 1 754 76 76 LEU CG C 26.690 0.300 1 755 76 76 LEU CD1 C 22.067 0.300 2 756 76 76 LEU CD2 C 26.259 0.300 2 757 76 76 LEU N N 129.422 0.300 1 758 77 77 LEU H H 9.319 0.030 1 759 77 77 LEU HA H 4.455 0.030 1 760 77 77 LEU HB3 H 1.310 0.030 2 761 77 77 LEU HG H 1.557 0.030 1 762 77 77 LEU HD1 H 0.689 0.030 2 763 77 77 LEU HD2 H 0.680 0.030 2 764 77 77 LEU C C 177.586 0.300 1 765 77 77 LEU CA C 54.773 0.300 1 766 77 77 LEU CB C 43.844 0.300 1 767 77 77 LEU CG C 26.570 0.300 1 768 77 77 LEU CD1 C 26.150 0.300 2 769 77 77 LEU CD2 C 22.122 0.300 2 770 77 77 LEU N N 126.653 0.300 1 771 78 78 GLY H H 7.137 0.030 1 772 78 78 GLY HA2 H 3.810 0.030 2 773 78 78 GLY HA3 H 4.017 0.030 2 774 78 78 GLY C C 169.726 0.300 1 775 78 78 GLY CA C 45.330 0.300 1 776 78 78 GLY N N 103.511 0.300 1 777 79 79 ARG H H 8.452 0.030 1 778 79 79 ARG HA H 5.718 0.030 1 779 79 79 ARG HB2 H 1.671 0.030 2 780 79 79 ARG HB3 H 1.602 0.030 2 781 79 79 ARG HG3 H 1.514 0.030 2 782 79 79 ARG HD2 H 2.997 0.030 2 783 79 79 ARG HD3 H 3.070 0.030 2 784 79 79 ARG C C 174.283 0.300 1 785 79 79 ARG CA C 54.303 0.300 1 786 79 79 ARG CB C 34.925 0.300 1 787 79 79 ARG CG C 26.708 0.300 1 788 79 79 ARG CD C 44.330 0.300 1 789 79 79 ARG N N 116.561 0.300 1 790 80 80 PHE H H 8.847 0.030 1 791 80 80 PHE HA H 4.742 0.030 1 792 80 80 PHE HB2 H 2.939 0.030 2 793 80 80 PHE HB3 H 3.149 0.030 2 794 80 80 PHE HD1 H 6.746 0.030 1 795 80 80 PHE HD2 H 6.746 0.030 1 796 80 80 PHE HE1 H 6.777 0.030 1 797 80 80 PHE HE2 H 6.777 0.030 1 798 80 80 PHE HZ H 6.769 0.030 1 799 80 80 PHE C C 170.959 0.300 1 800 80 80 PHE CA C 56.877 0.300 1 801 80 80 PHE CB C 40.406 0.300 1 802 80 80 PHE CD1 C 132.312 0.300 1 803 80 80 PHE CD2 C 132.312 0.300 1 804 80 80 PHE CE1 C 129.985 0.300 1 805 80 80 PHE CE2 C 129.985 0.300 1 806 80 80 PHE CZ C 128.240 0.300 1 807 80 80 PHE N N 116.142 0.300 1 808 81 81 GLU H H 8.844 0.030 1 809 81 81 GLU HA H 4.995 0.030 1 810 81 81 GLU HB2 H 1.843 0.030 2 811 81 81 GLU HB3 H 1.920 0.030 2 812 81 81 GLU HG3 H 2.089 0.030 2 813 81 81 GLU C C 175.860 0.300 1 814 81 81 GLU CA C 54.252 0.300 1 815 81 81 GLU CB C 32.665 0.300 1 816 81 81 GLU CG C 35.279 0.300 1 817 81 81 GLU N N 121.022 0.300 1 818 82 82 LEU H H 8.575 0.030 1 819 82 82 LEU HA H 4.868 0.030 1 820 82 82 LEU HB2 H 0.998 0.030 2 821 82 82 LEU HB3 H 1.858 0.030 2 822 82 82 LEU HG H 0.722 0.030 1 823 82 82 LEU HD1 H 0.890 0.030 2 824 82 82 LEU C C 174.397 0.300 1 825 82 82 LEU CA C 54.317 0.300 1 826 82 82 LEU CB C 44.008 0.300 1 827 82 82 LEU CG C 26.248 0.300 1 828 82 82 LEU CD1 C 23.495 0.300 2 829 82 82 LEU N N 127.599 0.300 1 830 83 83 SER H H 8.516 0.030 1 831 83 83 SER HA H 5.121 0.030 1 832 83 83 SER HB2 H 3.901 0.030 2 833 83 83 SER HB3 H 3.812 0.030 2 834 83 83 SER C C 173.881 0.300 1 835 83 83 SER CA C 56.825 0.300 1 836 83 83 SER CB C 65.281 0.300 1 837 83 83 SER N N 121.142 0.300 1 838 84 84 GLY H H 8.224 0.030 1 839 84 84 GLY HA2 H 4.088 0.030 2 840 84 84 GLY HA3 H 3.789 0.030 2 841 84 84 GLY C C 175.626 0.300 1 842 84 84 GLY CA C 46.207 0.300 1 843 84 84 GLY N N 108.313 0.300 1 844 85 85 ILE H H 8.076 0.030 1 845 85 85 ILE HA H 4.161 0.030 1 846 85 85 ILE HB H 1.803 0.030 1 847 85 85 ILE HG12 H 0.969 0.030 2 848 85 85 ILE HG13 H 1.329 0.030 2 849 85 85 ILE HG2 H 0.903 0.030 1 850 85 85 ILE HD1 H 0.572 0.030 1 851 85 85 ILE C C 174.444 0.300 1 852 85 85 ILE CA C 59.543 0.300 1 853 85 85 ILE CB C 37.960 0.300 1 854 85 85 ILE CG1 C 27.293 0.300 1 855 85 85 ILE CG2 C 16.288 0.300 1 856 85 85 ILE CD1 C 13.366 0.300 1 857 85 85 ILE N N 123.763 0.300 1 858 87 87 PRO HA H 4.228 0.030 1 859 87 87 PRO HB2 H 2.086 0.030 2 860 87 87 PRO HB3 H 1.869 0.030 2 861 87 87 PRO HG3 H 1.900 0.030 2 862 87 87 PRO HD2 H 3.762 0.030 2 863 87 87 PRO HD3 H 3.603 0.030 2 864 87 87 PRO C C 175.823 0.300 1 865 87 87 PRO CA C 64.384 0.300 1 866 87 87 PRO CB C 31.761 0.300 1 867 87 87 PRO CG C 27.565 0.300 1 868 87 87 PRO CD C 50.507 0.300 1 869 88 88 ALA H H 7.861 0.030 1 870 88 88 ALA HA H 4.706 0.030 1 871 88 88 ALA HB H 1.316 0.030 1 872 88 88 ALA C C 174.006 0.300 1 873 88 88 ALA CA C 50.669 0.300 1 874 88 88 ALA CB C 19.737 0.300 1 875 88 88 ALA N N 127.137 0.300 1 876 89 89 PRO HA H 4.376 0.030 1 877 89 89 PRO HB3 H 2.408 0.030 2 878 89 89 PRO C C 174.965 0.300 1 879 89 89 PRO CA C 62.700 0.300 1 880 89 89 PRO CB C 32.090 0.300 1 881 89 89 PRO CG C 27.815 0.300 1 882 90 90 ARG H H 9.143 0.030 1 883 90 90 ARG HA H 3.842 0.030 1 884 90 90 ARG HB2 H 1.193 0.030 2 885 90 90 ARG HB3 H 1.513 0.030 2 886 90 90 ARG HD2 H 2.717 0.030 2 887 90 90 ARG HD3 H 2.825 0.030 2 888 90 90 ARG C C 176.026 0.300 1 889 90 90 ARG CA C 55.668 0.300 1 890 90 90 ARG CB C 29.377 0.300 1 891 90 90 ARG CG C 25.165 0.300 1 892 90 90 ARG CD C 43.960 0.300 1 893 90 90 ARG N N 120.916 0.300 1 894 91 91 GLY H H 7.372 0.030 1 895 91 91 GLY HA3 H 4.094 0.030 2 896 91 91 GLY C C 174.735 0.300 1 897 91 91 GLY CA C 46.699 0.300 1 898 91 91 GLY N N 108.676 0.300 1 899 92 92 VAL H H 7.485 0.030 1 900 92 92 VAL HA H 4.111 0.030 1 901 92 92 VAL HB H 2.303 0.030 1 902 92 92 VAL HG1 H 0.841 0.030 2 903 92 92 VAL HG2 H 0.896 0.030 2 904 92 92 VAL C C 174.444 0.300 1 905 92 92 VAL CA C 65.701 0.300 1 906 92 92 VAL CB C 30.014 0.300 1 907 92 92 VAL CG1 C 23.572 0.300 2 908 92 92 VAL CG2 C 20.937 0.300 2 909 92 92 VAL N N 119.134 0.300 1 910 93 93 PRO HA H 4.343 0.030 1 911 93 93 PRO HB2 H 2.406 0.030 2 912 93 93 PRO HB3 H 1.462 0.030 2 913 93 93 PRO HD2 H 3.932 0.030 2 914 93 93 PRO HD3 H 3.709 0.030 2 915 93 93 PRO C C 175.992 0.300 1 916 93 93 PRO CA C 64.518 0.300 1 917 93 93 PRO CB C 32.090 0.300 1 918 93 93 PRO CD C 50.496 0.300 1 919 94 94 GLN H H 9.108 0.030 1 920 94 94 GLN HA H 4.748 0.030 1 921 94 94 GLN HB3 H 2.149 0.030 2 922 94 94 GLN HG3 H 2.393 0.030 2 923 94 94 GLN HE21 H 6.707 0.030 2 924 94 94 GLN HE22 H 7.337 0.030 2 925 94 94 GLN C C 172.915 0.300 1 926 94 94 GLN CA C 54.861 0.300 1 927 94 94 GLN CB C 31.080 0.300 1 928 94 94 GLN CG C 33.738 0.300 1 929 94 94 GLN N N 122.777 0.300 1 930 94 94 GLN NE2 N 112.007 0.300 1 931 95 95 ILE H H 9.182 0.030 1 932 95 95 ILE HA H 4.859 0.030 1 933 95 95 ILE HB H 1.829 0.030 1 934 95 95 ILE HG13 H 1.222 0.030 2 935 95 95 ILE HG2 H 0.636 0.030 1 936 95 95 ILE HD1 H 0.698 0.030 1 937 95 95 ILE C C 175.384 0.300 1 938 95 95 ILE CA C 58.386 0.300 1 939 95 95 ILE CB C 38.049 0.300 1 940 95 95 ILE CG1 C 27.487 0.300 1 941 95 95 ILE CG2 C 18.241 0.300 1 942 95 95 ILE CD1 C 12.571 0.300 1 943 95 95 ILE N N 125.084 0.300 1 944 96 96 GLU H H 9.452 0.030 1 945 96 96 GLU HA H 4.649 0.030 1 946 96 96 GLU HB2 H 1.818 0.030 2 947 96 96 GLU HB3 H 2.143 0.030 2 948 96 96 GLU HG3 H 1.936 0.030 2 949 96 96 GLU C C 175.928 0.300 1 950 96 96 GLU CA C 56.527 0.300 1 951 96 96 GLU CB C 32.583 0.300 1 952 96 96 GLU CG C 38.037 0.300 1 953 96 96 GLU N N 129.602 0.300 1 954 97 97 VAL H H 9.474 0.030 1 955 97 97 VAL HA H 5.448 0.030 1 956 97 97 VAL HB H 2.329 0.030 1 957 97 97 VAL HG1 H 1.070 0.030 2 958 97 97 VAL HG2 H 0.923 0.030 2 959 97 97 VAL C C 174.042 0.300 1 960 97 97 VAL CA C 61.402 0.300 1 961 97 97 VAL CB C 33.720 0.300 1 962 97 97 VAL CG1 C 21.286 0.300 2 963 97 97 VAL CG2 C 22.013 0.300 2 964 97 97 VAL N N 131.464 0.300 1 965 98 98 THR H H 9.102 0.030 1 966 98 98 THR HA H 5.456 0.030 1 967 98 98 THR HB H 3.914 0.030 1 968 98 98 THR HG2 H 1.141 0.030 1 969 98 98 THR C C 174.005 0.300 1 970 98 98 THR CA C 61.359 0.300 1 971 98 98 THR CB C 71.587 0.300 1 972 98 98 THR CG2 C 22.259 0.300 1 973 98 98 THR N N 122.687 0.300 1 974 99 99 PHE H H 9.580 0.030 1 975 99 99 PHE HA H 5.081 0.030 1 976 99 99 PHE HB2 H 3.231 0.030 2 977 99 99 PHE HB3 H 2.674 0.030 2 978 99 99 PHE HD1 H 7.133 0.030 1 979 99 99 PHE HD2 H 7.133 0.030 1 980 99 99 PHE HE1 H 7.056 0.030 1 981 99 99 PHE HE2 H 7.056 0.030 1 982 99 99 PHE HZ H 7.089 0.030 1 983 99 99 PHE C C 172.858 0.300 1 984 99 99 PHE CA C 55.978 0.300 1 985 99 99 PHE CB C 40.641 0.300 1 986 99 99 PHE CD1 C 130.561 0.300 1 987 99 99 PHE CD2 C 130.561 0.300 1 988 99 99 PHE CE1 C 131.376 0.300 1 989 99 99 PHE CE2 C 131.376 0.300 1 990 99 99 PHE CZ C 129.305 0.300 1 991 99 99 PHE N N 129.113 0.300 1 992 100 100 ASP H H 8.773 0.030 1 993 100 100 ASP HA H 5.294 0.030 1 994 100 100 ASP HB2 H 2.886 0.030 2 995 100 100 ASP HB3 H 2.333 0.030 2 996 100 100 ASP C C 174.451 0.300 1 997 100 100 ASP CA C 53.142 0.300 1 998 100 100 ASP CB C 45.079 0.300 1 999 100 100 ASP N N 124.357 0.300 1 1000 101 101 ILE H H 9.102 0.030 1 1001 101 101 ILE HA H 5.384 0.030 1 1002 101 101 ILE HB H 1.547 0.030 1 1003 101 101 ILE HG12 H 1.090 0.030 2 1004 101 101 ILE HG13 H 1.429 0.030 2 1005 101 101 ILE HG2 H 1.066 0.030 1 1006 101 101 ILE HD1 H 0.857 0.030 1 1007 101 101 ILE C C 175.285 0.300 1 1008 101 101 ILE CA C 59.298 0.300 1 1009 101 101 ILE CB C 41.378 0.300 1 1010 101 101 ILE CG1 C 28.445 0.300 1 1011 101 101 ILE CG2 C 17.944 0.300 1 1012 101 101 ILE CD1 C 14.735 0.300 1 1013 101 101 ILE N N 125.731 0.300 1 1014 102 102 ASP H H 8.157 0.030 1 1015 102 102 ASP HA H 4.743 0.030 1 1016 102 102 ASP HB2 H 2.821 0.030 2 1017 102 102 ASP HB3 H 3.252 0.030 2 1018 102 102 ASP C C 177.028 0.300 1 1019 102 102 ASP CA C 52.668 0.300 1 1020 102 102 ASP CB C 41.828 0.300 1 1021 102 102 ASP N N 128.784 0.300 1 1022 103 103 ALA H H 8.369 0.030 1 1023 103 103 ALA HA H 3.852 0.030 1 1024 103 103 ALA HB H 1.383 0.030 1 1025 103 103 ALA C C 177.700 0.300 1 1026 103 103 ALA CA C 54.206 0.300 1 1027 103 103 ALA CB C 18.896 0.300 1 1028 103 103 ALA N N 117.357 0.300 1 1029 104 104 ASN H H 8.153 0.030 1 1030 104 104 ASN HA H 4.804 0.030 1 1031 104 104 ASN HB2 H 2.843 0.030 2 1032 104 104 ASN HB3 H 2.932 0.030 2 1033 104 104 ASN HD21 H 6.848 0.030 2 1034 104 104 ASN HD22 H 7.751 0.030 2 1035 104 104 ASN C C 175.509 0.300 1 1036 104 104 ASN CA C 52.739 0.300 1 1037 104 104 ASN CB C 39.667 0.300 1 1038 104 104 ASN N N 113.709 0.300 1 1039 104 104 ASN ND2 N 114.185 0.300 1 1040 105 105 GLY H H 8.158 0.030 1 1041 105 105 GLY HA2 H 4.111 0.030 2 1042 105 105 GLY HA3 H 3.394 0.030 2 1043 105 105 GLY C C 173.658 0.300 1 1044 105 105 GLY CA C 45.687 0.300 1 1045 105 105 GLY N N 108.462 0.300 1 1046 106 106 ILE H H 8.292 0.030 1 1047 106 106 ILE HA H 3.798 0.030 1 1048 106 106 ILE HB H 2.058 0.030 1 1049 106 106 ILE HG12 H 1.438 0.030 2 1050 106 106 ILE HG13 H 1.087 0.030 2 1051 106 106 ILE HG2 H 0.621 0.030 1 1052 106 106 ILE HD1 H 0.812 0.030 1 1053 106 106 ILE C C 174.844 0.300 1 1054 106 106 ILE CA C 62.139 0.300 1 1055 106 106 ILE CB C 36.035 0.300 1 1056 106 106 ILE CG1 C 28.409 0.300 1 1057 106 106 ILE CG2 C 17.799 0.300 1 1058 106 106 ILE CD1 C 12.038 0.300 1 1059 106 106 ILE N N 123.198 0.300 1 1060 107 107 LEU H H 8.206 0.030 1 1061 107 107 LEU HA H 5.092 0.030 1 1062 107 107 LEU HB2 H 1.849 0.030 2 1063 107 107 LEU HB3 H 1.249 0.030 2 1064 107 107 LEU HG H 0.590 0.030 1 1065 107 107 LEU HD1 H 0.652 0.030 2 1066 107 107 LEU C C 173.754 0.300 1 1067 107 107 LEU CA C 53.285 0.300 1 1068 107 107 LEU CB C 44.089 0.300 1 1069 107 107 LEU CG C 26.462 0.300 1 1070 107 107 LEU CD1 C 23.290 0.300 2 1071 107 107 LEU N N 130.742 0.300 1 1072 108 108 ASN H H 9.503 0.030 1 1073 108 108 ASN HA H 5.412 0.030 1 1074 108 108 ASN HB2 H 2.318 0.030 2 1075 108 108 ASN HB3 H 2.741 0.030 2 1076 108 108 ASN HD21 H 7.913 0.030 2 1077 108 108 ASN HD22 H 6.753 0.030 2 1078 108 108 ASN C C 174.762 0.300 1 1079 108 108 ASN CA C 52.528 0.300 1 1080 108 108 ASN CB C 42.529 0.300 1 1081 108 108 ASN N N 126.462 0.300 1 1082 108 108 ASN ND2 N 116.135 0.300 1 1083 109 109 VAL H H 8.727 0.030 1 1084 109 109 VAL HA H 5.064 0.030 1 1085 109 109 VAL HB H 1.758 0.030 1 1086 109 109 VAL HG1 H 0.728 0.030 2 1087 109 109 VAL HG2 H -0.014 0.030 2 1088 109 109 VAL C C 174.192 0.300 1 1089 109 109 VAL CA C 60.806 0.300 1 1090 109 109 VAL CB C 33.488 0.300 1 1091 109 109 VAL CG1 C 21.511 0.300 2 1092 109 109 VAL CG2 C 18.925 0.300 2 1093 109 109 VAL N N 125.541 0.300 1 1094 110 110 THR H H 8.613 0.030 1 1095 110 110 THR HA H 5.003 0.030 1 1096 110 110 THR HB H 3.922 0.030 1 1097 110 110 THR HG2 H 1.132 0.030 1 1098 110 110 THR C C 173.370 0.300 1 1099 110 110 THR CA C 61.075 0.300 1 1100 110 110 THR CB C 71.391 0.300 1 1101 110 110 THR CG2 C 21.163 0.300 1 1102 110 110 THR N N 120.583 0.300 1 1103 111 111 ALA H H 9.048 0.030 1 1104 111 111 ALA HA H 5.698 0.030 1 1105 111 111 ALA HB H 1.264 0.030 1 1106 111 111 ALA C C 174.885 0.300 1 1107 111 111 ALA CA C 50.328 0.300 1 1108 111 111 ALA CB C 22.692 0.300 1 1109 111 111 ALA N N 127.348 0.300 1 1110 112 112 THR H H 8.915 0.030 1 1111 112 112 THR HA H 5.128 0.030 1 1112 112 112 THR HB H 3.869 0.030 1 1113 112 112 THR HG2 H 0.982 0.030 1 1114 112 112 THR C C 173.863 0.300 1 1115 112 112 THR CA C 61.011 0.300 1 1116 112 112 THR CB C 71.863 0.300 1 1117 112 112 THR CG2 C 20.661 0.300 1 1118 112 112 THR N N 117.130 0.300 1 1119 113 113 ASP H H 9.060 0.030 1 1120 113 113 ASP HA H 4.828 0.030 1 1121 113 113 ASP HB2 H 3.059 0.030 2 1122 113 113 ASP HB3 H 2.366 0.030 2 1123 113 113 ASP C C 177.132 0.300 1 1124 113 113 ASP CA C 53.948 0.300 1 1125 113 113 ASP CB C 41.916 0.300 1 1126 113 113 ASP N N 127.471 0.300 1 1127 114 114 LYS H H 8.713 0.030 1 1128 114 114 LYS HA H 4.058 0.030 1 1129 114 114 LYS HB2 H 1.869 0.030 2 1130 114 114 LYS HB3 H 1.967 0.030 2 1131 114 114 LYS HG2 H 1.463 0.030 2 1132 114 114 LYS HG3 H 1.615 0.030 2 1133 114 114 LYS HD3 H 1.641 0.030 2 1134 114 114 LYS HE3 H 2.980 0.030 2 1135 114 114 LYS C C 178.392 0.300 1 1136 114 114 LYS CA C 58.382 0.300 1 1137 114 114 LYS CB C 31.148 0.300 1 1138 114 114 LYS CG C 24.676 0.300 1 1139 114 114 LYS CD C 27.653 0.300 1 1140 114 114 LYS CE C 41.396 0.300 1 1141 114 114 LYS N N 126.624 0.300 1 1142 115 115 SER H H 8.934 0.030 1 1143 115 115 SER HA H 4.446 0.030 1 1144 115 115 SER HB2 H 4.124 0.030 2 1145 115 115 SER HB3 H 4.029 0.030 2 1146 115 115 SER C C 175.925 0.300 1 1147 115 115 SER CA C 61.209 0.300 1 1148 115 115 SER CB C 63.130 0.300 1 1149 115 115 SER N N 114.182 0.300 1 1150 116 116 THR H H 7.462 0.030 1 1151 116 116 THR HA H 4.477 0.030 1 1152 116 116 THR HB H 4.326 0.030 1 1153 116 116 THR HG2 H 1.270 0.030 1 1154 116 116 THR C C 176.687 0.300 1 1155 116 116 THR CA C 62.158 0.300 1 1156 116 116 THR CB C 71.368 0.300 1 1157 116 116 THR CG2 C 21.327 0.300 1 1158 116 116 THR N N 108.874 0.300 1 1159 117 117 GLY H H 8.708 0.030 1 1160 117 117 GLY HA2 H 4.221 0.030 2 1161 117 117 GLY HA3 H 3.586 0.030 2 1162 117 117 GLY C C 174.010 0.300 1 1163 117 117 GLY CA C 45.425 0.300 1 1164 117 117 GLY N N 112.325 0.300 1 1165 118 118 LYS H H 8.032 0.030 1 1166 118 118 LYS HA H 4.131 0.030 1 1167 118 118 LYS HB3 H 1.846 0.030 2 1168 118 118 LYS HG2 H 1.472 0.030 2 1169 118 118 LYS HG3 H 1.063 0.030 2 1170 118 118 LYS HD3 H 1.811 0.030 2 1171 118 118 LYS HE3 H 3.077 0.030 2 1172 118 118 LYS C C 174.677 0.300 1 1173 118 118 LYS CA C 57.824 0.300 1 1174 118 118 LYS CB C 32.912 0.300 1 1175 118 118 LYS CG C 25.605 0.300 1 1176 118 118 LYS CD C 28.955 0.300 1 1177 118 118 LYS CE C 42.635 0.300 1 1178 118 118 LYS N N 122.906 0.300 1 1179 119 119 ALA H H 8.183 0.030 1 1180 119 119 ALA HA H 5.826 0.030 1 1181 119 119 ALA HB H 1.307 0.030 1 1182 119 119 ALA C C 177.529 0.300 1 1183 119 119 ALA CA C 50.789 0.300 1 1184 119 119 ALA CB C 24.692 0.300 1 1185 119 119 ALA N N 124.220 0.300 1 1186 120 120 ASN H H 8.865 0.030 1 1187 120 120 ASN HA H 4.997 0.030 1 1188 120 120 ASN HB2 H 2.976 0.030 2 1189 120 120 ASN HB3 H 2.733 0.030 2 1190 120 120 ASN HD21 H 8.043 0.030 2 1191 120 120 ASN HD22 H 7.229 0.030 2 1192 120 120 ASN C C 171.629 0.300 1 1193 120 120 ASN CA C 51.424 0.300 1 1194 120 120 ASN CB C 41.518 0.300 1 1195 120 120 ASN N N 116.221 0.300 1 1196 120 120 ASN ND2 N 110.500 0.300 1 1197 121 121 LYS H H 7.890 0.030 1 1198 121 121 LYS HA H 4.960 0.030 1 1199 121 121 LYS HB3 H 1.561 0.030 2 1200 121 121 LYS HG2 H 1.121 0.030 2 1201 121 121 LYS HG3 H 1.015 0.030 2 1202 121 121 LYS HD3 H 1.411 0.030 2 1203 121 121 LYS HE3 H 2.729 0.030 2 1204 121 121 LYS C C 174.075 0.300 1 1205 121 121 LYS CA C 54.439 0.300 1 1206 121 121 LYS CB C 36.730 0.300 1 1207 121 121 LYS CG C 22.983 0.300 1 1208 121 121 LYS CD C 29.562 0.300 1 1209 121 121 LYS CE C 42.094 0.300 1 1210 121 121 LYS N N 119.390 0.300 1 1211 122 122 ILE H H 8.192 0.030 1 1212 122 122 ILE HA H 4.329 0.030 1 1213 122 122 ILE HB H 1.371 0.030 1 1214 122 122 ILE HG13 H 1.099 0.030 2 1215 122 122 ILE HG2 H 0.596 0.030 1 1216 122 122 ILE HD1 H 0.762 0.030 1 1217 122 122 ILE C C 172.228 0.300 1 1218 122 122 ILE CA C 60.210 0.300 1 1219 122 122 ILE CB C 42.455 0.300 1 1220 122 122 ILE CG1 C 27.608 0.300 1 1221 122 122 ILE CG2 C 16.862 0.300 1 1222 122 122 ILE CD1 C 14.235 0.300 1 1223 122 122 ILE N N 116.870 0.300 1 1224 123 123 THR H H 8.079 0.030 1 1225 123 123 THR HA H 4.867 0.030 1 1226 123 123 THR HB H 3.631 0.030 1 1227 123 123 THR HG2 H 0.971 0.030 1 1228 123 123 THR C C 173.697 0.300 1 1229 123 123 THR CA C 61.828 0.300 1 1230 123 123 THR CB C 70.627 0.300 1 1231 123 123 THR CG2 C 22.221 0.300 1 1232 123 123 THR N N 121.386 0.300 1 1233 124 124 ILE H H 9.610 0.030 1 1234 124 124 ILE HA H 4.298 0.030 1 1235 124 124 ILE HB H 1.772 0.030 1 1236 124 124 ILE HG12 H 1.006 0.030 2 1237 124 124 ILE HG13 H 1.229 0.030 2 1238 124 124 ILE HG2 H 0.905 0.030 1 1239 124 124 ILE HD1 H 0.529 0.030 1 1240 124 124 ILE C C 175.139 0.300 1 1241 124 124 ILE CA C 59.859 0.300 1 1242 124 124 ILE CB C 39.611 0.300 1 1243 124 124 ILE CG1 C 27.332 0.300 1 1244 124 124 ILE CG2 C 17.927 0.300 1 1245 124 124 ILE CD1 C 13.386 0.300 1 1246 124 124 ILE N N 130.007 0.300 1 1247 125 125 THR H H 8.401 0.030 1 1248 125 125 THR HA H 4.314 0.030 1 1249 125 125 THR HB H 4.290 0.030 1 1250 125 125 THR HG2 H 1.169 0.030 1 1251 125 125 THR C C 173.779 0.300 1 1252 125 125 THR CA C 61.701 0.300 1 1253 125 125 THR CB C 69.279 0.300 1 1254 125 125 THR CG2 C 21.832 0.300 1 1255 125 125 THR N N 119.872 0.300 1 1256 126 126 ASN H H 8.368 0.030 1 1257 126 126 ASN HA H 4.816 0.030 1 1258 126 126 ASN HB2 H 2.673 0.030 2 1259 126 126 ASN HB3 H 2.830 0.030 2 1260 126 126 ASN HD21 H 6.707 0.030 2 1261 126 126 ASN HD22 H 7.543 0.030 2 1262 126 126 ASN C C 174.761 0.300 1 1263 126 126 ASN CA C 52.809 0.300 1 1264 126 126 ASN CB C 38.912 0.300 1 1265 126 126 ASN N N 120.357 0.300 1 1266 126 126 ASN ND2 N 111.125 0.300 1 1267 127 127 ASP H H 8.229 0.030 1 1268 127 127 ASP HA H 4.280 0.030 1 1269 127 127 ASP HB3 H 2.664 0.030 2 1270 127 127 ASP C C 176.353 0.300 1 1271 127 127 ASP CA C 54.562 0.300 1 1272 127 127 ASP CB C 41.341 0.300 1 1273 127 127 ASP N N 120.560 0.300 1 1274 128 128 LYS H H 8.197 0.030 1 1275 128 128 LYS HA H 4.263 0.030 1 1276 128 128 LYS HB3 H 1.828 0.030 2 1277 128 128 LYS HG3 H 1.438 0.030 2 1278 128 128 LYS HD3 H 1.668 0.030 2 1279 128 128 LYS HE3 H 2.987 0.030 2 1280 128 128 LYS C C 176.841 0.300 1 1281 128 128 LYS CA C 57.245 0.300 1 1282 128 128 LYS CB C 32.665 0.300 1 1283 128 128 LYS CG C 24.736 0.300 1 1284 128 128 LYS CD C 29.242 0.300 1 1285 128 128 LYS CE C 42.161 0.300 1 1286 128 128 LYS N N 121.327 0.300 1 1287 129 129 GLY H H 8.481 0.030 1 1288 129 129 GLY HA3 H 3.909 0.030 2 1289 129 129 GLY C C 174.379 0.300 1 1290 129 129 GLY CA C 45.618 0.300 1 1291 129 129 GLY N N 109.212 0.300 1 1292 130 130 ARG H H 7.674 0.030 1 1293 130 130 ARG HA H 4.274 0.030 1 1294 130 130 ARG HB2 H 1.952 0.030 2 1295 130 130 ARG HB3 H 1.840 0.030 2 1296 130 130 ARG HG3 H 1.606 0.030 2 1297 130 130 ARG HD3 H 3.181 0.030 2 1298 130 130 ARG HE H 7.519 0.030 1 1299 130 130 ARG C C 176.571 0.300 1 1300 130 130 ARG CA C 56.368 0.300 1 1301 130 130 ARG CB C 30.487 0.300 1 1302 130 130 ARG CG C 27.410 0.300 1 1303 130 130 ARG CD C 43.149 0.300 1 1304 130 130 ARG N N 119.748 0.300 1 1305 130 130 ARG NE N 83.294 0.300 1 1306 131 131 LEU H H 8.260 0.030 1 1307 131 131 LEU HA H 4.477 0.030 1 1308 131 131 LEU HB2 H 1.392 0.030 2 1309 131 131 LEU HB3 H 1.625 0.030 2 1310 131 131 LEU HG H 0.841 0.030 1 1311 131 131 LEU C C 176.609 0.300 1 1312 131 131 LEU CA C 54.733 0.300 1 1313 131 131 LEU CB C 43.552 0.300 1 1314 131 131 LEU CG C 26.005 0.300 1 1315 131 131 LEU CD1 C 23.353 0.300 2 1316 131 131 LEU N N 120.778 0.300 1 1317 132 132 SER H H 8.583 0.030 1 1318 132 132 SER HA H 4.495 0.030 1 1319 132 132 SER HB2 H 4.354 0.030 2 1320 132 132 SER HB3 H 4.051 0.030 2 1321 132 132 SER C C 174.829 0.300 1 1322 132 132 SER CA C 56.948 0.300 1 1323 132 132 SER CB C 65.674 0.300 1 1324 132 132 SER N N 117.865 0.300 1 1325 133 133 LYS H H 8.838 0.030 1 1326 133 133 LYS HA H 3.951 0.030 1 1327 133 133 LYS HB2 H 1.927 0.030 2 1328 133 133 LYS HB3 H 1.824 0.030 2 1329 133 133 LYS HG2 H 1.520 0.030 2 1330 133 133 LYS HG3 H 1.436 0.030 2 1331 133 133 LYS HD3 H 1.696 0.030 2 1332 133 133 LYS HE3 H 3.011 0.030 2 1333 133 133 LYS C C 178.762 0.300 1 1334 133 133 LYS CA C 60.157 0.300 1 1335 133 133 LYS CB C 32.418 0.300 1 1336 133 133 LYS CG C 24.798 0.300 1 1337 133 133 LYS CD C 29.438 0.300 1 1338 133 133 LYS CE C 42.138 0.300 1 1339 133 133 LYS N N 121.757 0.300 1 1340 134 134 GLU H H 8.797 0.030 1 1341 134 134 GLU HA H 3.950 0.030 1 1342 134 134 GLU HB2 H 2.090 0.030 2 1343 134 134 GLU HB3 H 1.960 0.030 2 1344 134 134 GLU HG2 H 2.422 0.030 2 1345 134 134 GLU HG3 H 2.299 0.030 2 1346 134 134 GLU C C 179.361 0.300 1 1347 134 134 GLU CA C 59.861 0.300 1 1348 134 134 GLU CB C 29.172 0.300 1 1349 134 134 GLU CG C 37.045 0.300 1 1350 134 134 GLU N N 117.945 0.300 1 1351 135 135 GLU H H 7.750 0.030 1 1352 135 135 GLU HA H 4.092 0.030 1 1353 135 135 GLU HB2 H 2.298 0.030 2 1354 135 135 GLU HB3 H 2.048 0.030 2 1355 135 135 GLU HG2 H 2.028 0.030 2 1356 135 135 GLU HG3 H 2.315 0.030 2 1357 135 135 GLU C C 179.024 0.300 1 1358 135 135 GLU CA C 59.070 0.300 1 1359 135 135 GLU CB C 30.322 0.300 1 1360 135 135 GLU CG C 36.993 0.300 1 1361 135 135 GLU N N 121.523 0.300 1 1362 136 136 ILE H H 8.266 0.030 1 1363 136 136 ILE HA H 3.615 0.030 1 1364 136 136 ILE HB H 1.911 0.030 1 1365 136 136 ILE HG12 H 1.731 0.030 2 1366 136 136 ILE HG13 H 0.872 0.030 2 1367 136 136 ILE HG2 H 0.886 0.030 1 1368 136 136 ILE HD1 H 0.786 0.030 1 1369 136 136 ILE C C 177.594 0.300 1 1370 136 136 ILE CA C 66.014 0.300 1 1371 136 136 ILE CB C 38.230 0.300 1 1372 136 136 ILE CG1 C 29.868 0.300 1 1373 136 136 ILE CG2 C 17.180 0.300 1 1374 136 136 ILE CD1 C 13.742 0.300 1 1375 136 136 ILE N N 121.500 0.300 1 1376 137 137 GLU H H 8.055 0.030 1 1377 137 137 GLU HA H 3.942 0.030 1 1378 137 137 GLU HB2 H 2.121 0.030 2 1379 137 137 GLU HB3 H 2.030 0.030 2 1380 137 137 GLU HG2 H 2.243 0.030 2 1381 137 137 GLU HG3 H 2.420 0.030 2 1382 137 137 GLU C C 179.225 0.300 1 1383 137 137 GLU CA C 59.596 0.300 1 1384 137 137 GLU CB C 29.377 0.300 1 1385 137 137 GLU CG C 36.534 0.300 1 1386 137 137 GLU N N 117.655 0.300 1 1387 138 138 ARG H H 7.856 0.030 1 1388 138 138 ARG HA H 4.167 0.030 1 1389 138 138 ARG HB3 H 1.978 0.030 2 1390 138 138 ARG HG2 H 1.608 0.030 2 1391 138 138 ARG HG3 H 1.779 0.030 2 1392 138 138 ARG HD3 H 3.276 0.030 2 1393 138 138 ARG C C 178.793 0.300 1 1394 138 138 ARG CA C 59.772 0.300 1 1395 138 138 ARG CB C 29.911 0.300 1 1396 138 138 ARG CG C 27.389 0.300 1 1397 138 138 ARG CD C 43.393 0.300 1 1398 138 138 ARG N N 119.318 0.300 1 1399 139 139 MET H H 8.181 0.030 1 1400 139 139 MET HA H 4.137 0.030 1 1401 139 139 MET HB2 H 2.638 0.030 2 1402 139 139 MET HB3 H 2.763 0.030 2 1403 139 139 MET HG2 H 2.394 0.030 2 1404 139 139 MET HG3 H 2.318 0.030 2 1405 139 139 MET HE H 2.268 0.030 1 1406 139 139 MET C C 179.503 0.300 1 1407 139 139 MET CA C 59.578 0.300 1 1408 139 139 MET CB C 32.862 0.300 1 1409 139 139 MET CG C 32.796 0.300 1 1410 139 139 MET CE C 17.723 0.300 1 1411 139 139 MET N N 119.665 0.300 1 1412 140 140 VAL H H 8.463 0.030 1 1413 140 140 VAL HA H 3.474 0.030 1 1414 140 140 VAL HB H 2.175 0.030 1 1415 140 140 VAL HG1 H 1.003 0.030 2 1416 140 140 VAL HG2 H 0.922 0.030 2 1417 140 140 VAL C C 178.702 0.300 1 1418 140 140 VAL CA C 67.278 0.300 1 1419 140 140 VAL CB C 31.967 0.300 1 1420 140 140 VAL CG1 C 22.785 0.300 2 1421 140 140 VAL CG2 C 21.023 0.300 2 1422 140 140 VAL N N 121.380 0.300 1 1423 141 141 GLN H H 8.294 0.030 1 1424 141 141 GLN HA H 4.119 0.030 1 1425 141 141 GLN HB2 H 2.158 0.030 2 1426 141 141 GLN HB3 H 2.231 0.030 2 1427 141 141 GLN HG2 H 2.439 0.030 2 1428 141 141 GLN HG3 H 2.589 0.030 2 1429 141 141 GLN HE21 H 6.761 0.030 2 1430 141 141 GLN HE22 H 7.462 0.030 2 1431 141 141 GLN C C 179.795 0.300 1 1432 141 141 GLN CA C 58.999 0.300 1 1433 141 141 GLN CB C 28.346 0.300 1 1434 141 141 GLN CG C 34.224 0.300 1 1435 141 141 GLN N N 119.506 0.300 1 1436 141 141 GLN NE2 N 111.278 0.300 1 1437 142 142 GLU H H 8.721 0.030 1 1438 142 142 GLU HA H 4.012 0.030 1 1439 142 142 GLU HB2 H 2.318 0.030 2 1440 142 142 GLU HB3 H 2.171 0.030 2 1441 142 142 GLU HG2 H 2.340 0.030 2 1442 142 142 GLU HG3 H 2.611 0.030 2 1443 142 142 GLU C C 178.010 0.300 1 1444 142 142 GLU CA C 59.684 0.300 1 1445 142 142 GLU CB C 30.076 0.300 1 1446 142 142 GLU CG C 37.762 0.300 1 1447 142 142 GLU N N 121.049 0.300 1 1448 143 143 ALA H H 7.810 0.030 1 1449 143 143 ALA HA H 3.994 0.030 1 1450 143 143 ALA HB H 1.482 0.030 1 1451 143 143 ALA C C 179.963 0.300 1 1452 143 143 ALA CA C 55.246 0.300 1 1453 143 143 ALA CB C 18.672 0.300 1 1454 143 143 ALA N N 119.797 0.300 1 1455 144 144 GLU H H 7.559 0.030 1 1456 144 144 GLU HA H 3.942 0.030 1 1457 144 144 GLU HB2 H 2.211 0.030 2 1458 144 144 GLU HB3 H 2.121 0.030 2 1459 144 144 GLU HG2 H 2.355 0.030 2 1460 144 144 GLU HG3 H 2.297 0.030 2 1461 144 144 GLU C C 179.121 0.300 1 1462 144 144 GLU CA C 58.947 0.300 1 1463 144 144 GLU CB C 29.484 0.300 1 1464 144 144 GLU CG C 36.131 0.300 1 1465 144 144 GLU N N 116.832 0.300 1 1466 145 145 LYS H H 7.972 0.030 1 1467 145 145 LYS HA H 3.930 0.030 1 1468 145 145 LYS HB2 H 1.719 0.030 2 1469 145 145 LYS HB3 H 1.595 0.030 2 1470 145 145 LYS HG2 H 0.737 0.030 2 1471 145 145 LYS HG3 H 1.187 0.030 2 1472 145 145 LYS HD2 H 1.420 0.030 2 1473 145 145 LYS HD3 H 1.509 0.030 2 1474 145 145 LYS HE3 H 2.804 0.030 2 1475 145 145 LYS C C 178.537 0.300 1 1476 145 145 LYS CA C 59.227 0.300 1 1477 145 145 LYS CB C 32.516 0.300 1 1478 145 145 LYS CG C 24.529 0.300 1 1479 145 145 LYS CD C 29.451 0.300 1 1480 145 145 LYS CE C 42.094 0.300 1 1481 145 145 LYS N N 121.161 0.300 1 1482 146 146 TYR H H 7.710 0.030 1 1483 146 146 TYR HA H 4.927 0.030 1 1484 146 146 TYR HB2 H 3.514 0.030 2 1485 146 146 TYR HB3 H 2.482 0.030 2 1486 146 146 TYR HD1 H 7.165 0.030 1 1487 146 146 TYR HD2 H 7.165 0.030 1 1488 146 146 TYR HE1 H 6.825 0.030 1 1489 146 146 TYR HE2 H 6.825 0.030 1 1490 146 146 TYR C C 175.171 0.300 1 1491 146 146 TYR CA C 57.584 0.300 1 1492 146 146 TYR CB C 37.906 0.300 1 1493 146 146 TYR CD1 C 133.404 0.300 1 1494 146 146 TYR CD2 C 133.404 0.300 1 1495 146 146 TYR CE1 C 117.755 0.300 1 1496 146 146 TYR CE2 C 117.755 0.300 1 1497 146 146 TYR N N 115.461 0.300 1 1498 147 147 LYS H H 7.123 0.030 1 1499 147 147 LYS HA H 4.193 0.030 1 1500 147 147 LYS HB2 H 2.152 0.030 2 1501 147 147 LYS HB3 H 1.899 0.030 2 1502 147 147 LYS HG3 H 1.515 0.030 2 1503 147 147 LYS HD3 H 1.771 0.030 2 1504 147 147 LYS HE3 H 3.004 0.030 2 1505 147 147 LYS C C 178.318 0.300 1 1506 147 147 LYS CA C 60.444 0.300 1 1507 147 147 LYS CB C 32.912 0.300 1 1508 147 147 LYS CG C 24.315 0.300 1 1509 147 147 LYS CD C 29.276 0.300 1 1510 147 147 LYS CE C 42.177 0.300 1 1511 147 147 LYS N N 121.944 0.300 1 1512 148 148 ALA H H 8.542 0.030 1 1513 148 148 ALA HA H 4.223 0.030 1 1514 148 148 ALA HB H 1.462 0.030 1 1515 148 148 ALA C C 180.660 0.300 1 1516 148 148 ALA CA C 55.334 0.300 1 1517 148 148 ALA CB C 18.157 0.300 1 1518 148 148 ALA N N 120.625 0.300 1 1519 149 149 GLU H H 8.436 0.030 1 1520 149 149 GLU HA H 4.057 0.030 1 1521 149 149 GLU HB2 H 2.126 0.030 2 1522 149 149 GLU HB3 H 2.231 0.030 2 1523 149 149 GLU HG2 H 2.470 0.030 2 1524 149 149 GLU HG3 H 2.379 0.030 2 1525 149 149 GLU C C 179.618 0.300 1 1526 149 149 GLU CA C 59.701 0.300 1 1527 149 149 GLU CB C 29.418 0.300 1 1528 149 149 GLU CG C 37.010 0.300 1 1529 149 149 GLU N N 120.121 0.300 1 1530 150 150 ASP H H 8.914 0.030 1 1531 150 150 ASP HA H 4.409 0.030 1 1532 150 150 ASP HB2 H 3.166 0.030 2 1533 150 150 ASP HB3 H 2.623 0.030 2 1534 150 150 ASP C C 178.191 0.300 1 1535 150 150 ASP CA C 57.228 0.300 1 1536 150 150 ASP CB C 40.351 0.300 1 1537 150 150 ASP N N 122.274 0.300 1 1538 151 151 GLU H H 8.186 0.030 1 1539 151 151 GLU HA H 4.082 0.030 1 1540 151 151 GLU HB2 H 2.214 0.030 2 1541 151 151 GLU HB3 H 2.123 0.030 2 1542 151 151 GLU HG3 H 2.326 0.030 2 1543 151 151 GLU C C 179.323 0.300 1 1544 151 151 GLU CA C 59.473 0.300 1 1545 151 151 GLU CB C 29.500 0.300 1 1546 151 151 GLU CG C 36.415 0.300 1 1547 151 151 GLU N N 120.206 0.300 1 1548 152 152 VAL H H 7.586 0.030 1 1549 152 152 VAL HA H 3.794 0.030 1 1550 152 152 VAL HB H 2.223 0.030 1 1551 152 152 VAL HG1 H 1.123 0.030 2 1552 152 152 VAL HG2 H 0.963 0.030 2 1553 152 152 VAL C C 178.848 0.300 1 1554 152 152 VAL CA C 66.190 0.300 1 1555 152 152 VAL CB C 31.848 0.300 1 1556 152 152 VAL CG1 C 22.747 0.300 2 1557 152 152 VAL CG2 C 21.132 0.300 2 1558 152 152 VAL N N 119.477 0.300 1 1559 153 153 GLN H H 7.905 0.030 1 1560 153 153 GLN HA H 4.082 0.030 1 1561 153 153 GLN HB3 H 2.189 0.030 2 1562 153 153 GLN HG3 H 2.511 0.030 2 1563 153 153 GLN HE21 H 6.936 0.030 2 1564 153 153 GLN HE22 H 7.205 0.030 2 1565 153 153 GLN C C 178.345 0.300 1 1566 153 153 GLN CA C 59.122 0.300 1 1567 153 153 GLN CB C 28.492 0.300 1 1568 153 153 GLN CG C 33.974 0.300 1 1569 153 153 GLN N N 119.186 0.300 1 1570 153 153 GLN NE2 N 111.906 0.300 1 1571 154 154 ARG H H 8.275 0.030 1 1572 154 154 ARG HA H 3.955 0.030 1 1573 154 154 ARG HB3 H 1.886 0.030 2 1574 154 154 ARG HG3 H 1.584 0.030 2 1575 154 154 ARG HD3 H 3.224 0.030 2 1576 154 154 ARG C C 179.156 0.300 1 1577 154 154 ARG CA C 59.824 0.300 1 1578 154 154 ARG CB C 30.284 0.300 1 1579 154 154 ARG CG C 27.442 0.300 1 1580 154 154 ARG CD C 43.406 0.300 1 1581 154 154 ARG N N 118.945 0.300 1 1582 155 155 GLU H H 8.148 0.030 1 1583 155 155 GLU HA H 4.117 0.030 1 1584 155 155 GLU HB2 H 2.213 0.030 2 1585 155 155 GLU HB3 H 2.127 0.030 2 1586 155 155 GLU HG3 H 2.342 0.030 2 1587 155 155 GLU C C 178.884 0.300 1 1588 155 155 GLU CA C 59.052 0.300 1 1589 155 155 GLU CB C 29.519 0.300 1 1590 155 155 GLU CG C 36.471 0.300 1 1591 155 155 GLU N N 120.212 0.300 1 1592 156 156 ARG H H 8.094 0.030 1 1593 156 156 ARG HA H 4.131 0.030 1 1594 156 156 ARG HB3 H 1.936 0.030 2 1595 156 156 ARG HG2 H 1.675 0.030 2 1596 156 156 ARG HG3 H 1.831 0.030 2 1597 156 156 ARG HD3 H 3.188 0.030 2 1598 156 156 ARG C C 179.072 0.300 1 1599 156 156 ARG CA C 59.105 0.300 1 1600 156 156 ARG CB C 30.271 0.300 1 1601 156 156 ARG CG C 27.523 0.300 1 1602 156 156 ARG CD C 43.472 0.300 1 1603 156 156 ARG N N 119.712 0.300 1 1604 157 157 VAL H H 7.724 0.030 1 1605 157 157 VAL HA H 3.850 0.030 1 1606 157 157 VAL HB H 2.137 0.030 1 1607 157 157 VAL HG1 H 0.987 0.030 2 1608 157 157 VAL C C 177.637 0.300 1 1609 157 157 VAL CA C 65.331 0.300 1 1610 157 157 VAL CB C 31.925 0.300 1 1611 157 157 VAL CG1 C 21.735 0.300 2 1612 157 157 VAL N N 117.609 0.300 1 1613 158 158 SER H H 7.907 0.030 1 1614 158 158 SER C C 175.887 0.300 1 1615 158 158 SER CA C 60.595 0.300 1 1616 158 158 SER CB C 63.284 0.300 1 1617 158 158 SER N N 115.528 0.300 1 1618 159 159 ALA H H 8.039 0.030 1 1619 159 159 ALA HA H 4.242 0.030 1 1620 159 159 ALA HB H 1.472 0.030 1 1621 159 159 ALA C C 179.114 0.300 1 1622 159 159 ALA CA C 54.036 0.300 1 1623 159 159 ALA CB C 19.019 0.300 1 1624 159 159 ALA N N 123.961 0.300 1 1625 160 160 LYS H H 7.827 0.030 1 1626 160 160 LYS CA C 57.930 0.300 1 1627 160 160 LYS CB C 32.829 0.300 1 1628 160 160 LYS N N 118.944 0.300 1 1629 161 161 ASN HA H 4.717 0.030 1 1630 161 161 ASN HB3 H 2.803 0.030 2 1631 161 161 ASN C C 175.649 0.300 1 1632 161 161 ASN CA C 53.861 0.300 1 1633 161 161 ASN CB C 38.912 0.300 1 1634 162 162 ALA H H 7.951 0.030 1 1635 162 162 ALA HA H 4.218 0.030 1 1636 162 162 ALA HB H 1.346 0.030 1 1637 162 162 ALA C C 178.002 0.300 1 1638 162 162 ALA CA C 53.668 0.300 1 1639 162 162 ALA CB C 19.020 0.300 1 1640 162 162 ALA N N 122.910 0.300 1 1641 163 163 TYR H H 7.900 0.030 1 1642 163 163 TYR HA H 4.472 0.030 1 1643 163 163 TYR HB3 H 3.056 0.030 2 1644 163 163 TYR HD1 H 7.092 0.030 1 1645 163 163 TYR HD2 H 7.092 0.030 1 1646 163 163 TYR HE1 H 6.802 0.030 1 1647 163 163 TYR HE2 H 6.802 0.030 1 1648 163 163 TYR C C 176.494 0.300 1 1649 163 163 TYR CA C 58.596 0.300 1 1650 163 163 TYR CB C 38.514 0.300 1 1651 163 163 TYR CD1 C 133.256 0.300 1 1652 163 163 TYR CD2 C 133.256 0.300 1 1653 163 163 TYR CE1 C 118.283 0.300 1 1654 163 163 TYR CE2 C 118.283 0.300 1 1655 163 163 TYR N N 117.523 0.300 1 1656 164 164 GLU H H 8.054 0.030 1 1657 164 164 GLU HA H 4.218 0.030 1 1658 164 164 GLU HB3 H 2.010 0.030 2 1659 164 164 GLU HG3 H 2.213 0.030 2 1660 164 164 GLU C C 176.823 0.300 1 1661 164 164 GLU CA C 57.298 0.300 1 1662 164 164 GLU CB C 29.952 0.300 1 1663 164 164 GLU CG C 36.455 0.300 1 1664 164 164 GLU N N 120.016 0.300 1 1665 165 165 SER H H 8.032 0.030 1 1666 165 165 SER HB3 H 3.779 0.030 2 1667 165 165 SER C C 174.633 0.300 1 1668 165 165 SER CA C 58.930 0.300 1 1669 165 165 SER CB C 63.490 0.300 1 1670 165 165 SER N N 114.657 0.300 1 1671 166 166 TYR H H 7.969 0.030 1 1672 166 166 TYR HA H 4.452 0.030 1 1673 166 166 TYR HB3 H 2.958 0.030 2 1674 166 166 TYR HD1 H 7.088 0.030 1 1675 166 166 TYR HD2 H 7.088 0.030 1 1676 166 166 TYR HE1 H 6.797 0.030 1 1677 166 166 TYR HE2 H 6.797 0.030 1 1678 166 166 TYR C C 175.998 0.300 1 1679 166 166 TYR CA C 58.370 0.300 1 1680 166 166 TYR CB C 38.546 0.300 1 1681 166 166 TYR CD1 C 133.235 0.300 1 1682 166 166 TYR CD2 C 133.235 0.300 1 1683 166 166 TYR CE1 C 118.311 0.300 1 1684 166 166 TYR CE2 C 118.311 0.300 1 1685 166 166 TYR N N 121.797 0.300 1 1686 167 167 ALA H H 7.923 0.030 1 1687 167 167 ALA HA H 4.144 0.030 1 1688 167 167 ALA HB H 1.191 0.030 1 1689 167 167 ALA C C 177.414 0.300 1 1690 167 167 ALA CA C 52.793 0.300 1 1691 167 167 ALA CB C 18.968 0.300 1 1692 167 167 ALA N N 123.424 0.300 1 1693 168 168 PHE H H 7.605 0.030 1 1694 168 168 PHE HA H 4.172 0.030 1 1695 168 168 PHE HB2 H 2.993 0.030 2 1696 168 168 PHE HB3 H 3.178 0.030 2 1697 168 168 PHE HD1 H 7.217 0.030 1 1698 168 168 PHE HD2 H 7.217 0.030 1 1699 168 168 PHE HE1 H 7.320 0.030 1 1700 168 168 PHE HE2 H 7.320 0.030 1 1701 168 168 PHE HZ H 7.262 0.030 1 1702 168 168 PHE C C 175.255 0.300 1 1703 168 168 PHE CA C 57.333 0.300 1 1704 168 168 PHE CB C 39.488 0.300 1 1705 168 168 PHE CD1 C 131.881 0.300 1 1706 168 168 PHE CD2 C 131.881 0.300 1 1707 168 168 PHE CE1 C 131.692 0.300 1 1708 168 168 PHE CE2 C 131.692 0.300 1 1709 168 168 PHE CZ C 129.918 0.300 1 1710 168 168 PHE N N 117.235 0.300 1 1711 172 172 SER HA H 4.390 0.030 1 1712 172 172 SER HB3 H 3.848 0.030 2 1713 172 172 SER C C 174.240 0.300 1 1714 172 172 SER CA C 58.395 0.300 1 1715 172 172 SER CB C 63.901 0.300 1 1716 173 173 ALA H H 8.235 0.030 1 1717 173 173 ALA HA H 4.341 0.030 1 1718 173 173 ALA HB H 1.393 0.030 1 1719 173 173 ALA C C 177.706 0.300 1 1720 173 173 ALA CA C 52.757 0.300 1 1721 173 173 ALA CB C 19.347 0.300 1 1722 173 173 ALA N N 125.924 0.300 1 1723 174 174 VAL H H 7.958 0.030 1 1724 174 174 VAL HA H 4.088 0.030 1 1725 174 174 VAL HB H 2.084 0.030 1 1726 174 174 VAL HG1 H 0.921 0.030 2 1727 174 174 VAL C C 176.341 0.300 1 1728 174 174 VAL CA C 62.649 0.300 1 1729 174 174 VAL CB C 32.643 0.300 1 1730 174 174 VAL CG1 C 20.955 0.300 2 1731 174 174 VAL N N 118.320 0.300 1 1732 175 175 GLU H H 8.342 0.030 1 1733 175 175 GLU HA H 4.292 0.030 1 1734 175 175 GLU HB3 H 2.010 0.030 2 1735 175 175 GLU HG3 H 2.241 0.030 2 1736 175 175 GLU C C 176.187 0.300 1 1737 175 175 GLU CA C 56.700 0.300 1 1738 175 175 GLU CB C 30.102 0.300 1 1739 175 175 GLU CG C 36.415 0.300 1 1740 175 175 GLU N N 123.919 0.300 1 1741 176 176 ASP H H 8.197 0.030 1 1742 176 176 ASP HA H 4.575 0.030 1 1743 176 176 ASP HB2 H 2.582 0.030 2 1744 176 176 ASP HB3 H 2.665 0.030 2 1745 176 176 ASP C C 176.712 0.300 1 1746 176 176 ASP CA C 54.528 0.300 1 1747 176 176 ASP CB C 41.279 0.300 1 1748 176 176 ASP N N 121.328 0.300 1 1749 177 177 GLU H H 8.447 0.030 1 1750 177 177 GLU HA H 4.181 0.030 1 1751 177 177 GLU HB3 H 2.034 0.030 2 1752 177 177 GLU C C 177.540 0.300 1 1753 177 177 GLU CA C 57.614 0.300 1 1754 177 177 GLU CB C 30.352 0.300 1 1755 177 177 GLU CG C 36.415 0.300 1 1756 177 177 GLU N N 122.497 0.300 1 1757 178 178 GLY H H 8.452 0.030 1 1758 178 178 GLY HA3 H 3.934 0.030 2 1759 178 178 GLY C C 174.666 0.300 1 1760 178 178 GLY CA C 45.776 0.300 1 1761 178 178 GLY N N 108.673 0.300 1 1762 179 179 LEU H H 7.903 0.030 1 1763 179 179 LEU HA H 4.304 0.030 1 1764 179 179 LEU HB2 H 1.582 0.030 2 1765 179 179 LEU HB3 H 1.627 0.030 2 1766 179 179 LEU HG H 1.593 0.030 1 1767 179 179 LEU HD1 H 0.908 0.030 2 1768 179 179 LEU HD2 H 0.848 0.030 2 1769 179 179 LEU C C 177.736 0.300 1 1770 179 179 LEU CA C 55.492 0.300 1 1771 179 179 LEU CB C 42.300 0.300 1 1772 179 179 LEU CG C 27.062 0.300 1 1773 179 179 LEU CD1 C 25.040 0.300 2 1774 179 179 LEU CD2 C 23.597 0.300 2 1775 179 179 LEU N N 121.105 0.300 1 1776 180 180 LYS H H 8.069 0.030 1 1777 180 180 LYS HA H 4.258 0.030 1 1778 180 180 LYS HB3 H 1.812 0.030 2 1779 180 180 LYS HG3 H 1.413 0.030 2 1780 180 180 LYS HD3 H 1.671 0.030 2 1781 180 180 LYS HE3 H 2.972 0.030 2 1782 180 180 LYS C C 177.186 0.300 1 1783 180 180 LYS CA C 56.825 0.300 1 1784 180 180 LYS CB C 32.788 0.300 1 1785 180 180 LYS CG C 24.895 0.300 1 1786 180 180 LYS CD C 29.194 0.300 1 1787 180 180 LYS CE C 42.175 0.300 1 1788 180 180 LYS N N 121.055 0.300 1 1789 181 181 GLY H H 8.245 0.030 1 1790 181 181 GLY HA3 H 3.922 0.030 2 1791 181 181 GLY C C 173.895 0.300 1 1792 181 181 GLY CA C 45.355 0.300 1 1793 181 181 GLY N N 109.212 0.300 1 1794 182 182 LYS H H 7.993 0.030 1 1795 182 182 LYS HA H 4.341 0.030 1 1796 182 182 LYS HB3 H 1.775 0.030 2 1797 182 182 LYS HG3 H 1.413 0.030 2 1798 182 182 LYS HD3 H 1.668 0.030 2 1799 182 182 LYS HE3 H 2.979 0.030 2 1800 182 182 LYS C C 176.526 0.300 1 1801 182 182 LYS CA C 56.211 0.300 1 1802 182 182 LYS CB C 32.776 0.300 1 1803 182 182 LYS CG C 24.732 0.300 1 1804 182 182 LYS CD C 29.137 0.300 1 1805 182 182 LYS CE C 42.175 0.300 1 1806 182 182 LYS N N 120.814 0.300 1 1807 183 183 ILE H H 8.156 0.030 1 1808 183 183 ILE HA H 4.230 0.030 1 1809 183 183 ILE HB H 1.874 0.030 1 1810 183 183 ILE HG12 H 1.458 0.030 2 1811 183 183 ILE HG13 H 1.184 0.030 2 1812 183 183 ILE HG2 H 0.908 0.030 1 1813 183 183 ILE HD1 H 0.849 0.030 1 1814 183 183 ILE C C 176.128 0.300 1 1815 183 183 ILE CA C 61.078 0.300 1 1816 183 183 ILE CB C 38.849 0.300 1 1817 183 183 ILE CG1 C 27.247 0.300 1 1818 183 183 ILE CG2 C 17.592 0.300 1 1819 183 183 ILE CD1 C 12.898 0.300 1 1820 183 183 ILE N N 122.106 0.300 1 1821 184 184 SER H H 8.262 0.030 1 1822 184 184 SER HA H 4.489 0.030 1 1823 184 184 SER HB3 H 3.849 0.030 2 1824 184 184 SER C C 173.377 0.300 1 1825 184 184 SER CA C 58.076 0.300 1 1826 184 184 SER CB C 64.091 0.300 1 1827 184 184 SER N N 119.994 0.300 1 1828 185 185 GLU H H 7.981 0.030 1 1829 185 185 GLU C C 180.999 0.300 1 1830 185 185 GLU CA C 58.210 0.300 1 1831 185 185 GLU CB C 31.350 0.300 1 1832 185 185 GLU N N 128.090 0.300 1 stop_ save_