data_34492 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; drosophila Unr CSD78 ; _BMRB_accession_number 34492 _BMRB_flat_file_name bmr34492.str _Entry_type original _Submission_date 2020-02-21 _Accession_date 2020-02-21 _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 Hollmann N. M. . 2 Simon B. . . 3 Hennig J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 960 "13C chemical shifts" 666 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-15 update BMRB 'update entry citation' 2020-07-13 original author 'original release' stop_ _Original_release_date 2020-02-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Pseudo-RNA binding domains mediate RNA structure specificity in Upstream of N-Ras ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32697992 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hollmann N. M. . 2 Jagtap P. K.A. . 3 Masiewicz P. . . 4 Guitart T. . . 5 Simon B. . . 6 Provaznik J. . . 7 Stein F. . . 8 Haberkant P. . . 9 Sweetapple L. J. . 10 Villacorte L. . . 11 Mooijman D. . . 12 Benes V. . . 13 Savitski M. . . 14 Gebauer F. . . 15 Hennig J. . . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_name_full 'Cell reports' _Journal_volume 32 _Journal_issue 3 _Journal_ISSN 2211-1247 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 107930 _Page_last 107930 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Upstream of N-ras, isoform A' _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 18672.947 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; GAGSDAGQVYRGFIAVMKEN FGFIETLSHDEEVFFHFSNY MGNPNWLELGQEVEYTLARN GNTSVSGNCLPAENVRMLPK NSIPQPAVLETTHNGVVARP LRCINPDQQEYAGLIEILDE LRTTVISQHEFGITSLVNKR DLLQKGDLVSFRIDESGRAA CVNAVRQK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 GLY 4 SER 5 ASP 6 ALA 7 GLY 8 GLN 9 VAL 10 TYR 11 ARG 12 GLY 13 PHE 14 ILE 15 ALA 16 VAL 17 MET 18 LYS 19 GLU 20 ASN 21 PHE 22 GLY 23 PHE 24 ILE 25 GLU 26 THR 27 LEU 28 SER 29 HIS 30 ASP 31 GLU 32 GLU 33 VAL 34 PHE 35 PHE 36 HIS 37 PHE 38 SER 39 ASN 40 TYR 41 MET 42 GLY 43 ASN 44 PRO 45 ASN 46 TRP 47 LEU 48 GLU 49 LEU 50 GLY 51 GLN 52 GLU 53 VAL 54 GLU 55 TYR 56 THR 57 LEU 58 ALA 59 ARG 60 ASN 61 GLY 62 ASN 63 THR 64 SER 65 VAL 66 SER 67 GLY 68 ASN 69 CYS 70 LEU 71 PRO 72 ALA 73 GLU 74 ASN 75 VAL 76 ARG 77 MET 78 LEU 79 PRO 80 LYS 81 ASN 82 SER 83 ILE 84 PRO 85 GLN 86 PRO 87 ALA 88 VAL 89 LEU 90 GLU 91 THR 92 THR 93 HIS 94 ASN 95 GLY 96 VAL 97 VAL 98 ALA 99 ARG 100 PRO 101 LEU 102 ARG 103 CYS 104 ILE 105 ASN 106 PRO 107 ASP 108 GLN 109 GLN 110 GLU 111 TYR 112 ALA 113 GLY 114 LEU 115 ILE 116 GLU 117 ILE 118 LEU 119 ASP 120 GLU 121 LEU 122 ARG 123 THR 124 THR 125 VAL 126 ILE 127 SER 128 GLN 129 HIS 130 GLU 131 PHE 132 GLY 133 ILE 134 THR 135 SER 136 LEU 137 VAL 138 ASN 139 LYS 140 ARG 141 ASP 142 LEU 143 LEU 144 GLN 145 LYS 146 GLY 147 ASP 148 LEU 149 VAL 150 SER 151 PHE 152 ARG 153 ILE 154 ASP 155 GLU 156 SER 157 GLY 158 ARG 159 ALA 160 ALA 161 CYS 162 VAL 163 ASN 164 ALA 165 VAL 166 ARG 167 GLN 168 LYS 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 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 'Unr, BcDNA:LD13080, CR32028, Dmel\CG7015, dUNR, MRE30, UNR, unr, CG7015, Dmel_CG7015' 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' . . . . pETM11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-99% 15N] dCSD78, 150 mM sodium chloride, 20 mM sodium phosphate, 1 mM DTT, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-99% 15N] dCSD78, 150 mM sodium chloride, 20 mM sodium phosphate, 1 mM DTT, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _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_4 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.4 . 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 water C 13 protons ppm 4.773 internal indirect . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1 water N 15 protons ppm 4.773 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D HNCO' '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 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 ALA HA H 4.774 0.020 1 2 2 2 ALA HB H 1.383 0.020 1 3 2 2 ALA C C 178.100 0.3 1 4 2 2 ALA CA C 52.501 0.3 1 5 2 2 ALA CB C 19.043 0.3 1 6 3 3 GLY H H 8.567 0.020 1 7 3 3 GLY HA2 H 3.988 0.020 1 8 3 3 GLY HA3 H 3.988 0.020 1 9 3 3 GLY C C 174.259 0.3 1 10 3 3 GLY CA C 45.201 0.3 1 11 3 3 GLY N N 108.897 0.3 1 12 4 4 SER H H 8.235 0.020 1 13 4 4 SER HA H 4.462 0.020 1 14 4 4 SER HB2 H 3.991 0.020 2 15 4 4 SER HB3 H 3.892 0.020 2 16 4 4 SER C C 174.259 0.3 1 17 4 4 SER CA C 58.181 0.3 1 18 4 4 SER CB C 63.590 0.3 1 19 4 4 SER N N 115.628 0.3 1 20 5 5 ASP H H 8.411 0.020 1 21 5 5 ASP HA H 4.628 0.020 1 22 5 5 ASP HB2 H 2.707 0.020 2 23 5 5 ASP HB3 H 2.654 0.020 2 24 5 5 ASP C C 175.909 0.3 1 25 5 5 ASP CA C 54.086 0.3 1 26 5 5 ASP CB C 41.159 0.3 1 27 5 5 ASP N N 122.483 0.3 1 28 6 6 ALA H H 8.244 0.020 1 29 6 6 ALA HA H 4.288 0.020 1 30 6 6 ALA HB H 1.396 0.020 1 31 6 6 ALA C C 178.075 0.3 1 32 6 6 ALA CA C 52.785 0.3 1 33 6 6 ALA CB C 18.995 0.3 1 34 6 6 ALA N N 124.562 0.3 1 35 7 7 GLY H H 8.355 0.020 1 36 7 7 GLY HA2 H 3.919 0.020 1 37 7 7 GLY HA3 H 3.919 0.020 1 38 7 7 GLY C C 173.460 0.3 1 39 7 7 GLY CA C 44.974 0.3 1 40 7 7 GLY N N 107.833 0.3 1 41 8 8 GLN H H 7.933 0.020 1 42 8 8 GLN HA H 4.070 0.020 1 43 8 8 GLN HB2 H 1.771 0.020 2 44 8 8 GLN HB3 H 1.931 0.020 2 45 8 8 GLN HG2 H 1.986 0.020 1 46 8 8 GLN HG3 H 1.986 0.020 1 47 8 8 GLN HE21 H 7.363 0.020 1 48 8 8 GLN HE22 H 6.819 0.020 1 49 8 8 GLN C C 173.847 0.3 1 50 8 8 GLN CA C 55.651 0.3 1 51 8 8 GLN CB C 29.265 0.3 1 52 8 8 GLN CG C 33.312 0.3 1 53 8 8 GLN N N 120.322 0.3 1 54 8 8 GLN NE2 N 112.712 0.3 1 55 9 9 VAL H H 7.756 0.020 1 56 9 9 VAL HA H 4.215 0.020 1 57 9 9 VAL HB H 1.707 0.020 1 58 9 9 VAL HG1 H 0.764 0.020 1 59 9 9 VAL HG2 H 0.764 0.020 1 60 9 9 VAL C C 175.084 0.3 1 61 9 9 VAL CA C 61.120 0.3 1 62 9 9 VAL CB C 32.857 0.3 1 63 9 9 VAL CG1 C 21.667 0.3 1 64 9 9 VAL CG2 C 20.697 0.3 1 65 9 9 VAL N N 121.874 0.3 1 66 10 10 TYR H H 8.931 0.020 1 67 10 10 TYR HA H 4.581 0.020 1 68 10 10 TYR HB2 H 2.620 0.020 1 69 10 10 TYR HB3 H 2.620 0.020 1 70 10 10 TYR HD1 H 6.933 0.020 1 71 10 10 TYR HD2 H 6.933 0.020 1 72 10 10 TYR HE1 H 6.770 0.020 1 73 10 10 TYR HE2 H 6.770 0.020 1 74 10 10 TYR CA C 56.216 0.3 1 75 10 10 TYR CB C 40.995 0.3 1 76 10 10 TYR CD1 C 132.404 0.3 1 77 10 10 TYR CE1 C 117.362 0.3 1 78 10 10 TYR N N 127.139 0.3 1 79 11 11 ARG H H 8.225 0.020 1 80 11 11 ARG HA H 5.454 0.020 1 81 11 11 ARG HB2 H 1.587 0.020 1 82 11 11 ARG HB3 H 1.587 0.020 1 83 11 11 ARG HG2 H 1.587 0.020 2 84 11 11 ARG HG3 H 1.743 0.020 2 85 11 11 ARG HD2 H 3.065 0.020 1 86 11 11 ARG HD3 H 3.065 0.020 1 87 11 11 ARG CA C 54.086 0.3 1 88 11 11 ARG CB C 33.951 0.3 1 89 11 11 ARG CG C 28.298 0.3 1 90 11 11 ARG CD C 43.847 0.3 1 91 11 11 ARG N N 115.992 0.3 1 92 12 12 GLY H H 8.735 0.020 1 93 12 12 GLY HA2 H 3.650 0.020 2 94 12 12 GLY HA3 H 3.887 0.020 2 95 12 12 GLY C C 169.593 0.3 1 96 12 12 GLY CA C 45.414 0.3 1 97 12 12 GLY N N 108.132 0.3 1 98 13 13 PHE H H 8.811 0.020 1 99 13 13 PHE HA H 5.607 0.020 1 100 13 13 PHE HB2 H 2.685 0.020 2 101 13 13 PHE HB3 H 2.605 0.020 2 102 13 13 PHE HD1 H 7.208 0.020 1 103 13 13 PHE HD2 H 7.208 0.020 1 104 13 13 PHE HE1 H 7.369 0.020 1 105 13 13 PHE HE2 H 7.369 0.020 1 106 13 13 PHE HZ H 7.757 0.020 1 107 13 13 PHE C C 176.167 0.3 1 108 13 13 PHE CA C 54.516 0.3 1 109 13 13 PHE CB C 42.983 0.3 1 110 13 13 PHE CD1 C 133.111 0.3 1 111 13 13 PHE CE1 C 131.136 0.3 1 112 13 13 PHE N N 117.008 0.3 1 113 14 14 ILE H H 9.312 0.020 1 114 14 14 ILE HA H 3.948 0.020 1 115 14 14 ILE HB H 2.469 0.020 1 116 14 14 ILE HG12 H 1.703 0.020 1 117 14 14 ILE HG13 H 1.703 0.020 1 118 14 14 ILE HG2 H 0.938 0.020 1 119 14 14 ILE HD1 H 0.563 0.020 1 120 14 14 ILE C C 175.703 0.3 1 121 14 14 ILE CA C 61.792 0.3 1 122 14 14 ILE CB C 35.043 0.3 1 123 14 14 ILE CG1 C 26.967 0.3 1 124 14 14 ILE CG2 C 17.697 0.3 1 125 14 14 ILE CD1 C 10.673 0.3 1 126 14 14 ILE N N 124.563 0.3 1 127 15 15 ALA H H 9.395 0.020 1 128 15 15 ALA HA H 4.893 0.020 1 129 15 15 ALA HB H 1.703 0.020 1 130 15 15 ALA C C 175.290 0.3 1 131 15 15 ALA CA C 53.205 0.3 1 132 15 15 ALA CB C 22.525 0.3 1 133 15 15 ALA N N 131.919 0.3 1 134 16 16 VAL H H 7.793 0.020 1 135 16 16 VAL HA H 4.307 0.020 1 136 16 16 VAL HB H 2.234 0.020 1 137 16 16 VAL HG1 H 1.142 0.020 1 138 16 16 VAL HG2 H 1.096 0.020 1 139 16 16 VAL C C 174.491 0.3 1 140 16 16 VAL CA C 60.928 0.3 1 141 16 16 VAL CB C 37.956 0.3 1 142 16 16 VAL CG1 C 21.796 0.3 1 143 16 16 VAL CG2 C 21.856 0.3 1 144 16 16 VAL N N 115.420 0.3 1 145 17 17 MET H H 8.964 0.020 1 146 17 17 MET HA H 4.807 0.020 1 147 17 17 MET HB2 H 2.180 0.020 1 148 17 17 MET HB3 H 2.180 0.020 1 149 17 17 MET HG2 H 2.349 0.020 1 150 17 17 MET HG3 H 2.349 0.020 1 151 17 17 MET HE H 1.859 0.020 1 152 17 17 MET C C 174.517 0.3 1 153 17 17 MET CA C 55.670 0.3 1 154 17 17 MET CB C 35.767 0.3 1 155 17 17 MET CG C 31.780 0.3 1 156 17 17 MET CE C 18.294 0.3 1 157 17 17 MET N N 125.388 0.3 1 158 18 18 LYS H H 8.377 0.020 1 159 18 18 LYS HA H 4.490 0.020 1 160 18 18 LYS HB2 H 1.445 0.020 2 161 18 18 LYS HB3 H 0.369 0.020 2 162 18 18 LYS HG2 H 1.220 0.020 1 163 18 18 LYS HG3 H 1.220 0.020 1 164 18 18 LYS HD2 H 1.687 0.020 1 165 18 18 LYS HD3 H 1.687 0.020 1 166 18 18 LYS HE2 H 2.872 0.020 1 167 18 18 LYS HE3 H 2.872 0.020 1 168 18 18 LYS C C 174.929 0.3 1 169 18 18 LYS CA C 53.187 0.3 1 170 18 18 LYS CB C 30.582 0.3 1 171 18 18 LYS CG C 24.755 0.3 1 172 18 18 LYS CD C 27.957 0.3 1 173 18 18 LYS CE C 41.827 0.3 1 174 18 18 LYS N N 124.325 0.3 1 175 19 19 GLU H H 7.961 0.020 1 176 19 19 GLU HA H 3.940 0.020 1 177 19 19 GLU HB2 H 1.928 0.020 1 178 19 19 GLU HB3 H 1.928 0.020 1 179 19 19 GLU HG2 H 2.232 0.020 1 180 19 19 GLU HG3 H 2.232 0.020 1 181 19 19 GLU C C 176.476 0.3 1 182 19 19 GLU CA C 59.532 0.3 1 183 19 19 GLU CB C 30.431 0.3 1 184 19 19 GLU CG C 36.291 0.3 1 185 19 19 GLU N N 118.690 0.3 1 186 20 20 ASN H H 7.122 0.020 1 187 20 20 ASN HA H 4.134 0.020 1 188 20 20 ASN HB2 H 2.707 0.020 1 189 20 20 ASN HB3 H 2.707 0.020 1 190 20 20 ASN HD21 H 7.567 0.020 1 191 20 20 ASN HD22 H 5.947 0.020 1 192 20 20 ASN CA C 52.530 0.3 1 193 20 20 ASN CB C 39.080 0.3 1 194 20 20 ASN N N 112.243 0.3 1 195 20 20 ASN ND2 N 113.722 0.3 1 196 21 21 PHE HA H 3.724 0.020 1 197 21 21 PHE HB2 H 2.474 0.020 2 198 21 21 PHE HB3 H 2.288 0.020 2 199 21 21 PHE HD1 H 6.684 0.020 1 200 21 21 PHE HD2 H 6.684 0.020 1 201 21 21 PHE HE1 H 7.353 0.020 1 202 21 21 PHE HE2 H 7.353 0.020 1 203 21 21 PHE CA C 55.044 0.3 1 204 21 21 PHE CB C 40.686 0.3 1 205 21 21 PHE CD1 C 132.840 0.3 1 206 21 21 PHE CE1 C 130.813 0.3 1 207 22 22 GLY H H 7.829 0.020 1 208 22 22 GLY HA2 H 3.741 0.020 1 209 22 22 GLY HA3 H 3.741 0.020 1 210 22 22 GLY C C 169.799 0.3 1 211 22 22 GLY CA C 45.009 0.3 1 212 22 22 GLY N N 105.902 0.3 1 213 23 23 PHE H H 8.771 0.020 1 214 23 23 PHE HA H 5.783 0.020 1 215 23 23 PHE HB2 H 2.954 0.020 2 216 23 23 PHE HB3 H 2.867 0.020 2 217 23 23 PHE HD1 H 6.984 0.020 1 218 23 23 PHE HD2 H 6.984 0.020 1 219 23 23 PHE HE1 H 7.534 0.020 1 220 23 23 PHE HE2 H 7.534 0.020 1 221 23 23 PHE HZ H 7.482 0.020 1 222 23 23 PHE C C 175.393 0.3 1 223 23 23 PHE CA C 56.140 0.3 1 224 23 23 PHE CB C 43.785 0.3 1 225 23 23 PHE CD1 C 131.346 0.3 1 226 23 23 PHE CE1 C 131.311 0.3 1 227 23 23 PHE N N 112.613 0.3 1 228 24 24 ILE H H 9.938 0.020 1 229 24 24 ILE HA H 4.348 0.020 1 230 24 24 ILE HB H 1.252 0.020 1 231 24 24 ILE HG12 H 0.279 0.020 1 232 24 24 ILE HG13 H 0.279 0.020 1 233 24 24 ILE HG2 H 0.394 0.020 1 234 24 24 ILE HD1 H -0.198 0.020 1 235 24 24 ILE C C 174.904 0.3 1 236 24 24 ILE CA C 59.914 0.3 1 237 24 24 ILE CB C 41.923 0.3 1 238 24 24 ILE CG1 C 28.507 0.3 1 239 24 24 ILE CG2 C 17.363 0.3 1 240 24 24 ILE CD1 C 13.761 0.3 1 241 24 24 ILE N N 125.123 0.3 1 242 25 25 GLU H H 9.975 0.020 1 243 25 25 GLU HA H 4.728 0.020 1 244 25 25 GLU HB2 H 2.393 0.020 1 245 25 25 GLU HB3 H 2.393 0.020 1 246 25 25 GLU HG2 H 2.582 0.020 1 247 25 25 GLU HG3 H 2.582 0.020 1 248 25 25 GLU C C 175.729 0.3 1 249 25 25 GLU CA C 55.683 0.3 1 250 25 25 GLU CB C 33.248 0.3 1 251 25 25 GLU N N 128.842 0.3 1 252 26 26 THR H H 8.197 0.020 1 253 26 26 THR HA H 4.423 0.020 1 254 26 26 THR HB H 4.308 0.020 1 255 26 26 THR HG2 H 1.139 0.020 1 256 26 26 THR C C 176.064 0.3 1 257 26 26 THR CA C 61.933 0.3 1 258 26 26 THR CB C 70.410 0.3 1 259 26 26 THR CG2 C 21.802 0.3 1 260 26 26 THR N N 116.676 0.3 1 261 27 27 LEU H H 8.083 0.020 1 262 27 27 LEU HA H 3.939 0.020 1 263 27 27 LEU HB2 H 1.919 0.020 2 264 27 27 LEU HB3 H 1.807 0.020 2 265 27 27 LEU HG H 1.654 0.020 1 266 27 27 LEU HD1 H 0.967 0.020 1 267 27 27 LEU HD2 H 0.967 0.020 1 268 27 27 LEU C C 176.914 0.3 1 269 27 27 LEU CA C 57.918 0.3 1 270 27 27 LEU CB C 41.792 0.3 1 271 27 27 LEU CG C 26.751 0.3 1 272 27 27 LEU CD1 C 24.867 0.3 1 273 27 27 LEU N N 119.857 0.3 1 274 28 28 SER H H 7.733 0.020 1 275 28 28 SER HA H 4.286 0.020 1 276 28 28 SER HB2 H 3.794 0.020 1 277 28 28 SER HB3 H 3.794 0.020 1 278 28 28 SER C C 174.646 0.3 1 279 28 28 SER CA C 57.984 0.3 1 280 28 28 SER CB C 62.304 0.3 1 281 28 28 SER N N 107.086 0.3 1 282 29 29 HIS H H 8.433 0.020 1 283 29 29 HIS HA H 4.259 0.020 1 284 29 29 HIS HB2 H 3.312 0.020 2 285 29 29 HIS HB3 H 3.706 0.020 2 286 29 29 HIS HD2 H 7.190 0.020 1 287 29 29 HIS HE1 H 7.783 0.020 1 288 29 29 HIS C C 173.434 0.3 1 289 29 29 HIS CA C 56.162 0.3 1 290 29 29 HIS CB C 25.363 0.3 1 291 29 29 HIS CD2 C 129.512 0.3 1 292 29 29 HIS CE1 C 137.725 0.3 1 293 29 29 HIS N N 114.431 0.3 1 294 30 30 ASP H H 8.102 0.020 1 295 30 30 ASP HA H 4.947 0.020 1 296 30 30 ASP HB2 H 2.549 0.020 2 297 30 30 ASP HB3 H 2.985 0.020 2 298 30 30 ASP C C 174.440 0.3 1 299 30 30 ASP CA C 52.939 0.3 1 300 30 30 ASP CB C 41.052 0.3 1 301 30 30 ASP N N 114.136 0.3 1 302 31 31 GLU H H 7.338 0.020 1 303 31 31 GLU HA H 3.968 0.020 1 304 31 31 GLU HB2 H 1.850 0.020 2 305 31 31 GLU HB3 H 1.971 0.020 2 306 31 31 GLU HG2 H 2.385 0.020 2 307 31 31 GLU HG3 H 2.264 0.020 2 308 31 31 GLU CA C 55.020 0.3 1 309 31 31 GLU CB C 33.801 0.3 1 310 31 31 GLU CG C 36.536 0.3 1 311 31 31 GLU N N 120.343 0.3 1 312 32 32 GLU H H 8.848 0.020 1 313 32 32 GLU HA H 5.756 0.020 1 314 32 32 GLU HB2 H 1.949 0.020 2 315 32 32 GLU HB3 H 1.861 0.020 2 316 32 32 GLU HG2 H 2.075 0.020 2 317 32 32 GLU HG3 H 2.247 0.020 2 318 32 32 GLU C C 175.084 0.3 1 319 32 32 GLU CA C 52.905 0.3 1 320 32 32 GLU CB C 31.700 0.3 1 321 32 32 GLU CG C 34.796 0.3 1 322 32 32 GLU N N 117.767 0.3 1 323 33 33 VAL H H 9.340 0.020 1 324 33 33 VAL HA H 4.563 0.020 1 325 33 33 VAL HB H 1.641 0.020 1 326 33 33 VAL HG1 H 0.791 0.020 1 327 33 33 VAL HG2 H 0.571 0.020 1 328 33 33 VAL C C 175.136 0.3 1 329 33 33 VAL CA C 60.781 0.3 1 330 33 33 VAL CB C 35.132 0.3 1 331 33 33 VAL CG1 C 21.842 0.3 1 332 33 33 VAL CG2 C 20.482 0.3 1 333 33 33 VAL N N 120.459 0.3 1 334 34 34 PHE H H 8.909 0.020 1 335 34 34 PHE HA H 4.333 0.020 1 336 34 34 PHE HB2 H 2.941 0.020 2 337 34 34 PHE HB3 H 2.645 0.020 2 338 34 34 PHE HD1 H 7.146 0.020 1 339 34 34 PHE HD2 H 7.146 0.020 1 340 34 34 PHE HE1 H 6.496 0.020 1 341 34 34 PHE HE2 H 6.496 0.020 1 342 34 34 PHE HZ H 6.639 0.020 1 343 34 34 PHE C C 173.460 0.3 1 344 34 34 PHE CA C 57.619 0.3 1 345 34 34 PHE CB C 41.109 0.3 1 346 34 34 PHE CD1 C 132.294 0.3 1 347 34 34 PHE CE1 C 129.844 0.3 1 348 34 34 PHE N N 129.355 0.3 1 349 35 35 PHE H H 7.915 0.020 1 350 35 35 PHE HA H 4.934 0.020 1 351 35 35 PHE HB2 H 2.768 0.020 2 352 35 35 PHE HB3 H 2.619 0.020 2 353 35 35 PHE HD1 H 6.687 0.020 1 354 35 35 PHE HD2 H 6.687 0.020 1 355 35 35 PHE HE1 H 6.520 0.020 1 356 35 35 PHE HE2 H 6.520 0.020 1 357 35 35 PHE C C 170.830 0.3 1 358 35 35 PHE CA C 55.842 0.3 1 359 35 35 PHE CB C 42.891 0.3 1 360 35 35 PHE CD1 C 129.009 0.3 1 361 35 35 PHE CE1 C 130.624 0.3 1 362 35 35 PHE N N 122.238 0.3 1 363 36 36 HIS H H 9.068 0.020 1 364 36 36 HIS HA H 4.195 0.020 1 365 36 36 HIS HB2 H 3.079 0.020 2 366 36 36 HIS HB3 H 3.145 0.020 2 367 36 36 HIS HD2 H 7.221 0.020 1 368 36 36 HIS HE1 H 7.922 0.020 1 369 36 36 HIS C C 178.255 0.3 1 370 36 36 HIS CA C 56.575 0.3 1 371 36 36 HIS CB C 32.408 0.3 1 372 36 36 HIS CD2 C 126.600 0.3 1 373 36 36 HIS CE1 C 138.637 0.3 1 374 36 36 HIS N N 122.415 0.3 1 375 37 37 PHE H H 8.068 0.020 1 376 37 37 PHE HA H 4.138 0.020 1 377 37 37 PHE HB2 H 3.012 0.020 2 378 37 37 PHE HB3 H 3.265 0.020 2 379 37 37 PHE HD1 H 6.738 0.020 3 380 37 37 PHE HD2 H 6.779 0.020 3 381 37 37 PHE HE1 H 6.752 0.020 1 382 37 37 PHE HE2 H 6.752 0.020 1 383 37 37 PHE HZ H 6.853 0.020 1 384 37 37 PHE C C 178.513 0.3 1 385 37 37 PHE CA C 57.661 0.3 1 386 37 37 PHE CB C 35.379 0.3 1 387 37 37 PHE CD1 C 130.981 0.3 1 388 37 37 PHE N N 126.206 0.3 1 389 38 38 SER H H 10.108 0.020 1 390 38 38 SER HA H 4.452 0.020 1 391 38 38 SER HB2 H 4.138 0.020 2 392 38 38 SER HB3 H 4.073 0.020 2 393 38 38 SER C C 175.290 0.3 1 394 38 38 SER CA C 61.178 0.3 1 395 38 38 SER CB C 62.304 0.3 1 396 38 38 SER N N 118.559 0.3 1 397 39 39 ASN H H 8.358 0.020 1 398 39 39 ASN HA H 5.195 0.020 1 399 39 39 ASN HB2 H 3.454 0.020 2 400 39 39 ASN HB3 H 3.023 0.020 2 401 39 39 ASN HD21 H 8.313 0.020 1 402 39 39 ASN HD22 H 7.292 0.020 1 403 39 39 ASN C C 172.429 0.3 1 404 39 39 ASN CA C 53.333 0.3 1 405 39 39 ASN CB C 39.684 0.3 1 406 39 39 ASN N N 119.021 0.3 1 407 39 39 ASN ND2 N 114.011 0.3 1 408 40 40 TYR H H 7.927 0.020 1 409 40 40 TYR HA H 5.085 0.020 1 410 40 40 TYR HB2 H 3.242 0.020 2 411 40 40 TYR HB3 H 2.808 0.020 2 412 40 40 TYR HD1 H 6.576 0.020 1 413 40 40 TYR HD2 H 6.576 0.020 1 414 40 40 TYR HE1 H 6.238 0.020 1 415 40 40 TYR HE2 H 6.238 0.020 1 416 40 40 TYR C C 174.929 0.3 1 417 40 40 TYR CA C 56.267 0.3 1 418 40 40 TYR CB C 39.584 0.3 1 419 40 40 TYR CD1 C 132.817 0.3 1 420 40 40 TYR CE1 C 117.445 0.3 1 421 40 40 TYR N N 120.169 0.3 1 422 41 41 MET H H 8.400 0.020 1 423 41 41 MET HA H 4.358 0.020 1 424 41 41 MET HB2 H 1.920 0.020 2 425 41 41 MET HB3 H 1.808 0.020 2 426 41 41 MET HG2 H 2.504 0.020 2 427 41 41 MET HG3 H 2.349 0.020 2 428 41 41 MET HE H 2.034 0.020 1 429 41 41 MET C C 174.285 0.3 1 430 41 41 MET CA C 54.119 0.3 1 431 41 41 MET CB C 32.109 0.3 1 432 41 41 MET CG C 31.687 0.3 1 433 41 41 MET CE C 17.204 0.3 1 434 41 41 MET N N 128.826 0.3 1 435 42 42 GLY H H 7.183 0.020 1 436 42 42 GLY HA2 H 3.775 0.020 1 437 42 42 GLY HA3 H 3.775 0.020 1 438 42 42 GLY C C 170.985 0.3 1 439 42 42 GLY CA C 44.186 0.3 1 440 42 42 GLY N N 110.153 0.3 1 441 43 43 ASN H H 7.600 0.020 1 442 43 43 ASN HA H 4.885 0.020 1 443 43 43 ASN HB2 H 2.241 0.020 2 444 43 43 ASN HB3 H 2.160 0.020 2 445 43 43 ASN HD21 H 6.899 0.020 1 446 43 43 ASN HD22 H 6.786 0.020 1 447 43 43 ASN CA C 49.554 0.3 1 448 43 43 ASN CB C 37.715 0.3 1 449 43 43 ASN N N 118.504 0.3 1 450 43 43 ASN ND2 N 111.329 0.3 1 451 44 44 PRO HA H 3.767 0.020 1 452 44 44 PRO HB2 H 1.137 0.020 2 453 44 44 PRO HB3 H 1.217 0.020 2 454 44 44 PRO HG2 H 1.854 0.020 2 455 44 44 PRO HG3 H 1.818 0.020 2 456 44 44 PRO HD2 H 3.462 0.020 2 457 44 44 PRO HD3 H 3.761 0.020 2 458 44 44 PRO C C 176.682 0.3 1 459 44 44 PRO CA C 64.086 0.3 1 460 44 44 PRO CB C 30.759 0.3 1 461 44 44 PRO CG C 26.883 0.3 1 462 44 44 PRO CD C 50.286 0.3 1 463 45 45 ASN H H 8.012 0.020 1 464 45 45 ASN HA H 4.328 0.020 1 465 45 45 ASN HB2 H 2.502 0.020 2 466 45 45 ASN HB3 H 2.307 0.020 2 467 45 45 ASN HD21 H 7.396 0.020 1 468 45 45 ASN HD22 H 7.035 0.020 1 469 45 45 ASN C C 175.677 0.3 1 470 45 45 ASN CA C 54.806 0.3 1 471 45 45 ASN CB C 37.603 0.3 1 472 45 45 ASN N N 115.530 0.3 1 473 45 45 ASN ND2 N 113.123 0.3 1 474 46 46 TRP H H 7.468 0.020 1 475 46 46 TRP HA H 4.910 0.020 1 476 46 46 TRP HB2 H 3.234 0.020 2 477 46 46 TRP HB3 H 3.535 0.020 2 478 46 46 TRP HD1 H 7.014 0.020 1 479 46 46 TRP HE1 H 10.117 0.020 1 480 46 46 TRP HE3 H 7.727 0.020 1 481 46 46 TRP HZ2 H 7.528 0.020 1 482 46 46 TRP HZ3 H 7.229 0.020 1 483 46 46 TRP HH2 H 7.293 0.020 1 484 46 46 TRP CA C 54.682 0.3 1 485 46 46 TRP CB C 29.654 0.3 1 486 46 46 TRP CD1 C 124.568 0.3 1 487 46 46 TRP CE3 C 121.115 0.3 1 488 46 46 TRP CZ2 C 114.548 0.3 1 489 46 46 TRP CZ3 C 121.861 0.3 1 490 46 46 TRP CH2 C 124.732 0.3 1 491 46 46 TRP N N 117.348 0.3 1 492 46 46 TRP NE1 N 128.185 0.3 1 493 47 47 LEU H H 7.024 0.020 1 494 47 47 LEU HA H 4.196 0.020 1 495 47 47 LEU HB2 H 1.513 0.020 2 496 47 47 LEU HB3 H 1.258 0.020 2 497 47 47 LEU HG H 1.074 0.020 1 498 47 47 LEU HD1 H 0.307 0.020 1 499 47 47 LEU HD2 H 0.128 0.020 1 500 47 47 LEU C C 175.084 0.3 1 501 47 47 LEU CA C 55.162 0.3 1 502 47 47 LEU CB C 43.001 0.3 1 503 47 47 LEU CG C 26.553 0.3 1 504 47 47 LEU CD1 C 23.358 0.3 1 505 47 47 LEU CD2 C 23.448 0.3 1 506 47 47 LEU N N 121.351 0.3 1 507 48 48 GLU H H 7.786 0.020 1 508 48 48 GLU HA H 4.559 0.020 1 509 48 48 GLU HB2 H 1.900 0.020 1 510 48 48 GLU HB3 H 1.900 0.020 1 511 48 48 GLU HG2 H 2.319 0.020 1 512 48 48 GLU HG3 H 2.319 0.020 1 513 48 48 GLU C C 175.832 0.3 1 514 48 48 GLU CA C 53.912 0.3 1 515 48 48 GLU CB C 32.766 0.3 1 516 48 48 GLU CG C 35.933 0.3 1 517 48 48 GLU N N 120.219 0.3 1 518 49 49 LEU H H 8.546 0.020 1 519 49 49 LEU HA H 3.843 0.020 1 520 49 49 LEU HB2 H 1.141 0.020 1 521 49 49 LEU HB3 H 1.141 0.020 1 522 49 49 LEU HG H 1.143 0.020 1 523 49 49 LEU HD1 H 0.918 0.020 1 524 49 49 LEU HD2 H 0.787 0.020 1 525 49 49 LEU C C 178.281 0.3 1 526 49 49 LEU CA C 56.407 0.3 1 527 49 49 LEU CB C 41.734 0.3 1 528 49 49 LEU CD1 C 22.369 0.3 1 529 49 49 LEU CD2 C 22.389 0.3 1 530 49 49 LEU N N 119.633 0.3 1 531 50 50 GLY H H 10.008 0.020 1 532 50 50 GLY HA2 H 3.358 0.020 2 533 50 50 GLY HA3 H 4.302 0.020 2 534 50 50 GLY C C 172.712 0.3 1 535 50 50 GLY CA C 44.700 0.3 1 536 50 50 GLY N N 111.465 0.3 1 537 51 51 GLN H H 7.785 0.020 1 538 51 51 GLN HA H 4.153 0.020 1 539 51 51 GLN HB2 H 2.559 0.020 1 540 51 51 GLN HB3 H 2.559 0.020 1 541 51 51 GLN HG2 H 2.503 0.020 2 542 51 51 GLN HG3 H 2.400 0.020 2 543 51 51 GLN HE21 H 8.415 0.020 1 544 51 51 GLN HE22 H 6.749 0.020 1 545 51 51 GLN C C 175.265 0.3 1 546 51 51 GLN CA C 56.766 0.3 1 547 51 51 GLN CB C 30.338 0.3 1 548 51 51 GLN CG C 33.733 0.3 1 549 51 51 GLN N N 120.053 0.3 1 550 51 51 GLN NE2 N 116.350 0.3 1 551 52 52 GLU H H 9.406 0.020 1 552 52 52 GLU HA H 4.508 0.020 1 553 52 52 GLU HB2 H 2.036 0.020 2 554 52 52 GLU HB3 H 1.820 0.020 2 555 52 52 GLU HG2 H 2.663 0.020 2 556 52 52 GLU HG3 H 2.506 0.020 2 557 52 52 GLU C C 176.476 0.3 1 558 52 52 GLU CA C 57.343 0.3 1 559 52 52 GLU CB C 30.484 0.3 1 560 52 52 GLU CG C 37.793 0.3 1 561 52 52 GLU N N 127.906 0.3 1 562 53 53 VAL H H 8.828 0.020 1 563 53 53 VAL HA H 5.282 0.020 1 564 53 53 VAL HB H 2.098 0.020 1 565 53 53 VAL HG1 H 0.713 0.020 1 566 53 53 VAL HG2 H 0.385 0.020 1 567 53 53 VAL C C 173.640 0.3 1 568 53 53 VAL CA C 58.864 0.3 1 569 53 53 VAL CB C 36.700 0.3 1 570 53 53 VAL CG1 C 21.768 0.3 1 571 53 53 VAL CG2 C 17.866 0.3 1 572 53 53 VAL N N 116.468 0.3 1 573 54 54 GLU H H 8.919 0.020 1 574 54 54 GLU HA H 5.626 0.020 1 575 54 54 GLU HB2 H 1.934 0.020 2 576 54 54 GLU HB3 H 1.873 0.020 2 577 54 54 GLU HG2 H 2.199 0.020 1 578 54 54 GLU HG3 H 2.199 0.020 1 579 54 54 GLU C C 174.336 0.3 1 580 54 54 GLU CA C 53.186 0.3 1 581 54 54 GLU CB C 33.907 0.3 1 582 54 54 GLU CG C 37.448 0.3 1 583 54 54 GLU N N 118.964 0.3 1 584 55 55 TYR H H 8.842 0.020 1 585 55 55 TYR HA H 5.312 0.020 1 586 55 55 TYR HB2 H 3.097 0.020 2 587 55 55 TYR HB3 H 2.809 0.020 2 588 55 55 TYR HD1 H 6.933 0.020 1 589 55 55 TYR HD2 H 6.933 0.020 1 590 55 55 TYR HE1 H 6.811 0.020 1 591 55 55 TYR HE2 H 6.811 0.020 1 592 55 55 TYR C C 172.403 0.3 1 593 55 55 TYR CA C 56.409 0.3 1 594 55 55 TYR CB C 41.119 0.3 1 595 55 55 TYR CD1 C 133.176 0.3 1 596 55 55 TYR CE1 C 117.804 0.3 1 597 55 55 TYR N N 116.833 0.3 1 598 56 56 THR H H 8.761 0.020 1 599 56 56 THR HA H 4.228 0.020 1 600 56 56 THR HB H 4.355 0.020 1 601 56 56 THR HG2 H 1.188 0.020 1 602 56 56 THR C C 174.543 0.3 1 603 56 56 THR CA C 61.100 0.3 1 604 56 56 THR CB C 70.790 0.3 1 605 56 56 THR CG2 C 21.979 0.3 1 606 56 56 THR N N 110.268 0.3 1 607 57 57 LEU H H 9.170 0.020 1 608 57 57 LEU HA H 5.086 0.020 1 609 57 57 LEU HB2 H 1.550 0.020 2 610 57 57 LEU HB3 H 1.848 0.020 2 611 57 57 LEU HG H 1.689 0.020 1 612 57 57 LEU HD1 H 0.898 0.020 1 613 57 57 LEU C C 177.559 0.3 1 614 57 57 LEU CA C 53.942 0.3 1 615 57 57 LEU CB C 43.818 0.3 1 616 57 57 LEU CG C 26.986 0.3 1 617 57 57 LEU CD1 C 23.462 0.3 1 618 57 57 LEU CD2 C 25.686 0.3 1 619 57 57 LEU N N 121.432 0.3 1 620 58 58 ALA H H 8.695 0.020 1 621 58 58 ALA HA H 4.302 0.020 1 622 58 58 ALA HB H 1.340 0.020 1 623 58 58 ALA C C 176.708 0.3 1 624 58 58 ALA CA C 51.881 0.3 1 625 58 58 ALA CB C 19.334 0.3 1 626 58 58 ALA N N 126.238 0.3 1 627 59 59 ARG H H 8.484 0.020 1 628 59 59 ARG HA H 4.313 0.020 1 629 59 59 ARG HB2 H 1.906 0.020 2 630 59 59 ARG HB3 H 1.765 0.020 2 631 59 59 ARG HG2 H 1.085 0.020 1 632 59 59 ARG HG3 H 1.085 0.020 1 633 59 59 ARG HD2 H 3.227 0.020 1 634 59 59 ARG HD3 H 3.227 0.020 1 635 59 59 ARG C C 176.270 0.3 1 636 59 59 ARG CA C 56.148 0.3 1 637 59 59 ARG CB C 30.617 0.3 1 638 59 59 ARG CG C 26.058 0.3 1 639 59 59 ARG CD C 43.105 0.3 1 640 59 59 ARG N N 119.950 0.3 1 641 60 60 ASN H H 8.319 0.020 1 642 60 60 ASN HA H 4.764 0.020 1 643 60 60 ASN HB2 H 2.856 0.020 2 644 60 60 ASN HB3 H 2.798 0.020 2 645 60 60 ASN C C 175.084 0.3 1 646 60 60 ASN CA C 52.659 0.3 1 647 60 60 ASN CB C 38.974 0.3 1 648 60 60 ASN N N 117.812 0.3 1 649 61 61 GLY H H 8.386 0.020 1 650 61 61 GLY HA2 H 3.988 0.020 2 651 61 61 GLY HA3 H 3.901 0.020 2 652 61 61 GLY C C 173.460 0.3 1 653 61 61 GLY CA C 45.002 0.3 1 654 61 61 GLY N N 108.655 0.3 1 655 62 62 ASN H H 8.358 0.020 1 656 62 62 ASN HA H 4.786 0.020 1 657 62 62 ASN HB2 H 2.769 0.020 2 658 62 62 ASN HB3 H 2.867 0.020 2 659 62 62 ASN HD21 H 7.593 0.020 1 660 62 62 ASN HD22 H 6.899 0.020 1 661 62 62 ASN C C 175.471 0.3 1 662 62 62 ASN CA C 52.996 0.3 1 663 62 62 ASN CB C 38.937 0.3 1 664 62 62 ASN N N 118.628 0.3 1 665 62 62 ASN ND2 N 112.811 0.3 1 666 63 63 THR H H 8.198 0.020 1 667 63 63 THR HA H 4.360 0.020 1 668 63 63 THR HB H 4.250 0.020 1 669 63 63 THR HG2 H 1.164 0.020 1 670 63 63 THR CA C 61.816 0.3 1 671 63 63 THR CB C 69.505 0.3 1 672 63 63 THR CG2 C 21.579 0.3 1 673 63 63 THR N N 113.971 0.3 1 674 64 64 SER H H 8.313 0.020 1 675 64 64 SER HA H 4.379 0.020 1 676 64 64 SER HB2 H 3.846 0.020 1 677 64 64 SER HB3 H 3.846 0.020 1 678 64 64 SER C C 174.594 0.3 1 679 64 64 SER CA C 58.752 0.3 1 680 64 64 SER CB C 63.528 0.3 1 681 64 64 SER N N 117.729 0.3 1 682 65 65 VAL H H 7.759 0.020 1 683 65 65 VAL HA H 4.096 0.020 1 684 65 65 VAL HB H 1.992 0.020 1 685 65 65 VAL HG1 H 0.804 0.020 1 686 65 65 VAL HG2 H 0.804 0.020 1 687 65 65 VAL CA C 62.225 0.3 1 688 65 65 VAL CB C 32.509 0.3 1 689 65 65 VAL CG1 C 20.196 0.3 1 690 65 65 VAL N N 119.682 0.3 1 691 66 66 SER H H 7.970 0.020 1 692 66 66 SER HA H 4.223 0.020 1 693 66 66 SER HB2 H 3.765 0.020 2 694 66 66 SER HB3 H 3.593 0.020 2 695 66 66 SER CA C 57.994 0.3 1 696 66 66 SER CB C 63.534 0.3 1 697 66 66 SER N N 117.073 0.3 1 698 67 67 GLY H H 8.286 0.020 1 699 67 67 GLY HA2 H 4.044 0.020 2 700 67 67 GLY HA3 H 3.851 0.020 2 701 67 67 GLY C C 173.898 0.3 1 702 67 67 GLY CA C 45.343 0.3 1 703 67 67 GLY N N 111.045 0.3 1 704 68 68 ASN H H 8.405 0.020 1 705 68 68 ASN HA H 4.705 0.020 1 706 68 68 ASN HB2 H 2.899 0.020 2 707 68 68 ASN HB3 H 2.771 0.020 2 708 68 68 ASN HD21 H 7.230 0.020 1 709 68 68 ASN HD22 H 6.834 0.020 1 710 68 68 ASN C C 174.672 0.3 1 711 68 68 ASN CA C 53.289 0.3 1 712 68 68 ASN CB C 38.673 0.3 1 713 68 68 ASN N N 118.287 0.3 1 714 69 69 CYS H H 8.051 0.020 1 715 69 69 CYS HA H 4.629 0.020 1 716 69 69 CYS HB2 H 2.975 0.020 2 717 69 69 CYS HB3 H 3.010 0.020 2 718 69 69 CYS HG H 0.790 0.020 1 719 69 69 CYS C C 173.821 0.3 1 720 69 69 CYS CA C 57.925 0.3 1 721 69 69 CYS CB C 28.424 0.3 1 722 69 69 CYS N N 118.476 0.3 1 723 70 70 LEU H H 8.528 0.020 1 724 70 70 LEU HA H 3.846 0.020 1 725 70 70 LEU HB2 H 1.775 0.020 2 726 70 70 LEU HB3 H 1.598 0.020 2 727 70 70 LEU HG H 1.754 0.020 1 728 70 70 LEU HD1 H 0.983 0.020 1 729 70 70 LEU HD2 H 0.907 0.020 1 730 70 70 LEU CA C 52.897 0.3 1 731 70 70 LEU CB C 42.030 0.3 1 732 70 70 LEU CG C 27.178 0.3 1 733 70 70 LEU CD1 C 25.424 0.3 1 734 70 70 LEU CD2 C 23.087 0.3 1 735 70 70 LEU N N 125.664 0.3 1 736 71 71 PRO HA H 5.139 0.020 1 737 71 71 PRO HB2 H 2.154 0.020 1 738 71 71 PRO HB3 H 2.154 0.020 1 739 71 71 PRO HG2 H 2.039 0.020 2 740 71 71 PRO HG3 H 2.152 0.020 2 741 71 71 PRO HD2 H 3.834 0.020 1 742 71 71 PRO HD3 H 3.834 0.020 1 743 71 71 PRO C C 175.084 0.3 1 744 71 71 PRO CA C 61.640 0.3 1 745 71 71 PRO CB C 32.812 0.3 1 746 71 71 PRO CG C 26.932 0.3 1 747 71 71 PRO CD C 50.090 0.3 1 748 72 72 ALA H H 9.082 0.020 1 749 72 72 ALA HA H 5.219 0.020 1 750 72 72 ALA HB H 1.162 0.020 1 751 72 72 ALA C C 176.682 0.3 1 752 72 72 ALA CA C 50.556 0.3 1 753 72 72 ALA CB C 21.354 0.3 1 754 72 72 ALA N N 121.357 0.3 1 755 73 73 GLU H H 9.116 0.020 1 756 73 73 GLU HA H 4.593 0.020 1 757 73 73 GLU HB2 H 2.032 0.020 2 758 73 73 GLU HB3 H 1.845 0.020 2 759 73 73 GLU HG2 H 2.150 0.020 1 760 73 73 GLU HG3 H 2.150 0.020 1 761 73 73 GLU C C 173.640 0.3 1 762 73 73 GLU CA C 54.636 0.3 1 763 73 73 GLU CB C 32.722 0.3 1 764 73 73 GLU CG C 36.072 0.3 1 765 73 73 GLU N N 118.094 0.3 1 766 74 74 ASN H H 8.622 0.020 1 767 74 74 ASN HA H 4.471 0.020 1 768 74 74 ASN HB2 H 2.737 0.020 2 769 74 74 ASN HB3 H 2.945 0.020 2 770 74 74 ASN HD21 H 7.522 0.020 1 771 74 74 ASN HD22 H 6.758 0.020 1 772 74 74 ASN C C 173.563 0.3 1 773 74 74 ASN CA C 54.066 0.3 1 774 74 74 ASN CB C 39.020 0.3 1 775 74 74 ASN N N 115.328 0.3 1 776 74 74 ASN ND2 N 112.438 0.3 1 777 75 75 VAL H H 8.198 0.020 1 778 75 75 VAL HA H 4.795 0.020 1 779 75 75 VAL HB H 1.909 0.020 1 780 75 75 VAL HG1 H 0.498 0.020 1 781 75 75 VAL HG2 H 0.404 0.020 1 782 75 75 VAL C C 174.697 0.3 1 783 75 75 VAL CA C 62.253 0.3 1 784 75 75 VAL CB C 32.184 0.3 1 785 75 75 VAL CG1 C 20.939 0.3 1 786 75 75 VAL CG2 C 20.908 0.3 1 787 75 75 VAL N N 118.204 0.3 1 788 76 76 ARG H H 9.043 0.020 1 789 76 76 ARG HA H 4.754 0.020 1 790 76 76 ARG HB2 H 1.780 0.020 2 791 76 76 ARG HB3 H 1.703 0.020 2 792 76 76 ARG HG2 H 1.594 0.020 1 793 76 76 ARG HG3 H 1.594 0.020 1 794 76 76 ARG HD2 H 3.152 0.020 1 795 76 76 ARG HD3 H 3.152 0.020 1 796 76 76 ARG HE H 7.227 0.020 1 797 76 76 ARG C C 174.672 0.3 1 798 76 76 ARG CA C 54.227 0.3 1 799 76 76 ARG CB C 34.213 0.3 1 800 76 76 ARG CG C 27.190 0.3 1 801 76 76 ARG CD C 43.423 0.3 1 802 76 76 ARG N N 125.498 0.3 1 803 76 76 ARG NE N 87.465 0.3 1 804 77 77 MET H H 8.825 0.020 1 805 77 77 MET HA H 4.465 0.020 1 806 77 77 MET HB2 H 2.051 0.020 2 807 77 77 MET HB3 H 2.294 0.020 2 808 77 77 MET HG2 H 2.623 0.020 2 809 77 77 MET HG3 H 2.502 0.020 2 810 77 77 MET HE H 2.088 0.020 1 811 77 77 MET C C 175.316 0.3 1 812 77 77 MET CA C 57.341 0.3 1 813 77 77 MET CB C 33.991 0.3 1 814 77 77 MET CG C 31.888 0.3 1 815 77 77 MET CE C 16.808 0.3 1 816 77 77 MET N N 122.001 0.3 1 817 78 78 LEU H H 8.190 0.020 1 818 78 78 LEU HA H 4.813 0.020 1 819 78 78 LEU HB2 H 1.517 0.020 2 820 78 78 LEU HB3 H 1.270 0.020 2 821 78 78 LEU HD1 H 0.832 0.020 1 822 78 78 LEU HD2 H 0.719 0.020 1 823 78 78 LEU CA C 51.678 0.3 1 824 78 78 LEU CB C 43.235 0.3 1 825 78 78 LEU CG C 26.700 0.3 1 826 78 78 LEU CD1 C 21.962 0.3 1 827 78 78 LEU CD2 C 25.797 0.3 1 828 78 78 LEU N N 125.430 0.3 1 829 79 79 PRO HA H 4.426 0.020 1 830 79 79 PRO HB2 H 2.356 0.020 1 831 79 79 PRO HB3 H 2.356 0.020 1 832 79 79 PRO HG2 H 1.839 0.020 1 833 79 79 PRO HG3 H 1.839 0.020 1 834 79 79 PRO HD2 H 3.839 0.020 1 835 79 79 PRO HD3 H 3.839 0.020 1 836 79 79 PRO C C 176.734 0.3 1 837 79 79 PRO CA C 62.117 0.3 1 838 79 79 PRO CB C 31.700 0.3 1 839 79 79 PRO CG C 27.032 0.3 1 840 79 79 PRO CD C 50.736 0.3 1 841 80 80 LYS H H 8.511 0.020 1 842 80 80 LYS HA H 4.190 0.020 1 843 80 80 LYS HB2 H 1.851 0.020 2 844 80 80 LYS HB3 H 1.760 0.020 2 845 80 80 LYS HG2 H 1.608 0.020 1 846 80 80 LYS HG3 H 1.608 0.020 1 847 80 80 LYS HD2 H 1.672 0.020 1 848 80 80 LYS HD3 H 1.672 0.020 1 849 80 80 LYS HE2 H 3.089 0.020 1 850 80 80 LYS HE3 H 3.089 0.020 1 851 80 80 LYS C C 177.482 0.3 1 852 80 80 LYS CA C 57.404 0.3 1 853 80 80 LYS CB C 32.321 0.3 1 854 80 80 LYS CG C 24.830 0.3 1 855 80 80 LYS CD C 29.215 0.3 1 856 80 80 LYS CE C 41.841 0.3 1 857 80 80 LYS N N 124.164 0.3 1 858 81 81 ASN H H 10.051 0.020 1 859 81 81 ASN HA H 4.566 0.020 1 860 81 81 ASN HB2 H 3.113 0.020 1 861 81 81 ASN HB3 H 3.113 0.020 1 862 81 81 ASN HD21 H 7.657 0.020 1 863 81 81 ASN HD22 H 6.998 0.020 1 864 81 81 ASN C C 175.290 0.3 1 865 81 81 ASN CA C 54.854 0.3 1 866 81 81 ASN CB C 36.459 0.3 1 867 81 81 ASN N N 119.503 0.3 1 868 81 81 ASN ND2 N 113.529 0.3 1 869 82 82 SER H H 8.329 0.020 1 870 82 82 SER HA H 4.260 0.020 1 871 82 82 SER HB2 H 3.659 0.020 1 872 82 82 SER HB3 H 3.659 0.020 1 873 82 82 SER C C 174.465 0.3 1 874 82 82 SER CA C 61.154 0.3 1 875 82 82 SER CB C 64.056 0.3 1 876 82 82 SER N N 115.245 0.3 1 877 83 83 ILE H H 8.667 0.020 1 878 83 83 ILE HA H 4.421 0.020 1 879 83 83 ILE HB H 1.985 0.020 1 880 83 83 ILE HG12 H 0.626 0.020 1 881 83 83 ILE HG13 H 0.626 0.020 1 882 83 83 ILE HG2 H 0.918 0.020 1 883 83 83 ILE HD1 H 0.402 0.020 1 884 83 83 ILE CA C 58.919 0.3 1 885 83 83 ILE CB C 38.286 0.3 1 886 83 83 ILE CG1 C 27.130 0.3 1 887 83 83 ILE CG2 C 18.268 0.3 1 888 83 83 ILE CD1 C 14.442 0.3 1 889 83 83 ILE N N 123.640 0.3 1 890 84 84 PRO HA H 4.471 0.020 1 891 84 84 PRO HB2 H 1.882 0.020 2 892 84 84 PRO HB3 H 2.340 0.020 2 893 84 84 PRO HG2 H 1.991 0.020 2 894 84 84 PRO HG3 H 2.107 0.020 2 895 84 84 PRO HD2 H 4.105 0.020 2 896 84 84 PRO HD3 H 3.695 0.020 2 897 84 84 PRO C C 177.121 0.3 1 898 84 84 PRO CA C 63.438 0.3 1 899 84 84 PRO CB C 31.834 0.3 1 900 84 84 PRO CG C 27.375 0.3 1 901 84 84 PRO CD C 51.195 0.3 1 902 85 85 GLN H H 8.695 0.020 1 903 85 85 GLN HA H 5.002 0.020 1 904 85 85 GLN HB2 H 1.900 0.020 1 905 85 85 GLN HB3 H 1.900 0.020 1 906 85 85 GLN HG2 H 2.556 0.020 2 907 85 85 GLN HG3 H 2.472 0.020 2 908 85 85 GLN HE21 H 7.567 0.020 1 909 85 85 GLN HE22 H 6.805 0.020 1 910 85 85 GLN CA C 52.786 0.3 1 911 85 85 GLN CB C 31.392 0.3 1 912 85 85 GLN CG C 34.118 0.3 1 913 85 85 GLN N N 123.815 0.3 1 914 85 85 GLN NE2 N 112.066 0.3 1 915 86 86 PRO HA H 4.433 0.020 1 916 86 86 PRO HB2 H 1.663 0.020 2 917 86 86 PRO HB3 H 2.332 0.020 2 918 86 86 PRO HG2 H 2.096 0.020 1 919 86 86 PRO HG3 H 2.096 0.020 1 920 86 86 PRO HD2 H 3.718 0.020 1 921 86 86 PRO HD3 H 3.718 0.020 1 922 86 86 PRO C C 176.090 0.3 1 923 86 86 PRO CA C 62.555 0.3 1 924 86 86 PRO CB C 31.822 0.3 1 925 86 86 PRO CG C 27.667 0.3 1 926 86 86 PRO CD C 51.116 0.3 1 927 87 87 ALA H H 8.854 0.020 1 928 87 87 ALA HA H 4.206 0.020 1 929 87 87 ALA HB H 1.341 0.020 1 930 87 87 ALA C C 176.089 0.3 1 931 87 87 ALA CA C 52.175 0.3 1 932 87 87 ALA CB C 18.668 0.3 1 933 87 87 ALA N N 126.300 0.3 1 934 88 88 VAL H H 8.528 0.020 1 935 88 88 VAL HA H 3.830 0.020 1 936 88 88 VAL HB H 1.898 0.020 1 937 88 88 VAL HG1 H 0.900 0.020 1 938 88 88 VAL HG2 H 0.832 0.020 1 939 88 88 VAL CA C 62.899 0.3 1 940 88 88 VAL CB C 32.327 0.3 1 941 88 88 VAL CG1 C 22.018 0.3 1 942 88 88 VAL CG2 C 23.758 0.3 1 943 88 88 VAL N N 120.966 0.3 1 944 89 89 LEU H H 8.565 0.020 1 945 89 89 LEU HA H 4.421 0.020 1 946 89 89 LEU HB2 H 1.689 0.020 2 947 89 89 LEU HB3 H 2.186 0.020 2 948 89 89 LEU HG H 1.689 0.020 1 949 89 89 LEU HD1 H 0.880 0.020 1 950 89 89 LEU HD2 H 0.843 0.020 1 951 89 89 LEU C C 179.544 0.3 1 952 89 89 LEU CA C 55.904 0.3 1 953 89 89 LEU CB C 40.398 0.3 1 954 89 89 LEU CG C 28.678 0.3 1 955 89 89 LEU CD1 C 23.324 0.3 1 956 89 89 LEU CD2 C 24.723 0.3 1 957 89 89 LEU N N 130.500 0.3 1 958 90 90 GLU H H 8.668 0.020 1 959 90 90 GLU HA H 3.931 0.020 1 960 90 90 GLU HB2 H 2.015 0.020 1 961 90 90 GLU HB3 H 2.015 0.020 1 962 90 90 GLU HG2 H 2.247 0.020 1 963 90 90 GLU HG3 H 2.247 0.020 1 964 90 90 GLU C C 176.734 0.3 1 965 90 90 GLU CA C 59.304 0.3 1 966 90 90 GLU CB C 30.486 0.3 1 967 90 90 GLU CG C 36.300 0.3 1 968 90 90 GLU N N 120.313 0.3 1 969 91 91 THR H H 7.341 0.020 1 970 91 91 THR HA H 3.831 0.020 1 971 91 91 THR HB H 3.723 0.020 1 972 91 91 THR HG2 H 0.725 0.020 1 973 91 91 THR C C 175.574 0.3 1 974 91 91 THR CA C 63.999 0.3 1 975 91 91 THR CB C 69.231 0.3 1 976 91 91 THR CG2 C 21.353 0.3 1 977 91 91 THR N N 113.397 0.3 1 978 92 92 THR H H 8.469 0.020 1 979 92 92 THR HA H 4.249 0.020 1 980 92 92 THR HB H 3.864 0.020 1 981 92 92 THR HG2 H 1.106 0.020 1 982 92 92 THR CA C 62.536 0.3 1 983 92 92 THR CB C 69.053 0.3 1 984 92 92 THR CG2 C 21.775 0.3 1 985 92 92 THR N N 122.509 0.3 1 986 93 93 HIS H H 9.022 0.020 1 987 93 93 HIS HA H 4.494 0.020 1 988 93 93 HIS HB2 H 2.490 0.020 1 989 93 93 HIS HB3 H 2.490 0.020 1 990 93 93 HIS HD2 H 6.215 0.020 1 991 93 93 HIS HE1 H 7.757 0.020 1 992 93 93 HIS C C 172.841 0.3 1 993 93 93 HIS CA C 54.218 0.3 1 994 93 93 HIS CB C 33.020 0.3 1 995 93 93 HIS CD2 C 130.232 0.3 1 996 93 93 HIS CE1 C 143.273 0.3 1 997 93 93 HIS N N 124.759 0.3 1 998 94 94 ASN H H 8.559 0.020 1 999 94 94 ASN HA H 5.730 0.020 1 1000 94 94 ASN HB2 H 2.722 0.020 2 1001 94 94 ASN HB3 H 2.935 0.020 2 1002 94 94 ASN HD21 H 6.936 0.020 1 1003 94 94 ASN HD22 H 6.775 0.020 1 1004 94 94 ASN C C 175.239 0.3 1 1005 94 94 ASN CA C 52.308 0.3 1 1006 94 94 ASN CB C 40.736 0.3 1 1007 94 94 ASN N N 118.060 0.3 1 1008 94 94 ASN ND2 N 115.557 0.3 1 1009 95 95 GLY H H 9.073 0.020 1 1010 95 95 GLY HA2 H 5.033 0.020 2 1011 95 95 GLY HA3 H 3.685 0.020 2 1012 95 95 GLY C C 171.191 0.3 1 1013 95 95 GLY CA C 45.125 0.3 1 1014 95 95 GLY N N 108.953 0.3 1 1015 96 96 VAL H H 9.047 0.020 1 1016 96 96 VAL HA H 5.081 0.020 1 1017 96 96 VAL HB H 1.910 0.020 1 1018 96 96 VAL HG1 H 0.871 0.020 1 1019 96 96 VAL HG2 H 0.899 0.020 1 1020 96 96 VAL C C 175.393 0.3 1 1021 96 96 VAL CA C 59.512 0.3 1 1022 96 96 VAL CB C 35.470 0.3 1 1023 96 96 VAL CG1 C 20.472 0.3 1 1024 96 96 VAL CG2 C 21.234 0.3 1 1025 96 96 VAL N N 119.539 0.3 1 1026 97 97 VAL H H 9.065 0.020 1 1027 97 97 VAL HA H 3.886 0.020 1 1028 97 97 VAL HB H 2.363 0.020 1 1029 97 97 VAL HG1 H 0.768 0.020 1 1030 97 97 VAL HG2 H 0.633 0.020 1 1031 97 97 VAL C C 174.878 0.3 1 1032 97 97 VAL CA C 64.208 0.3 1 1033 97 97 VAL CB C 31.067 0.3 1 1034 97 97 VAL CG1 C 23.020 0.3 1 1035 97 97 VAL CG2 C 21.044 0.3 1 1036 97 97 VAL N N 127.139 0.3 1 1037 98 98 ALA H H 9.213 0.020 1 1038 98 98 ALA HA H 4.553 0.020 1 1039 98 98 ALA HB H 1.236 0.020 1 1040 98 98 ALA C C 176.657 0.3 1 1041 98 98 ALA CA C 52.236 0.3 1 1042 98 98 ALA CB C 20.351 0.3 1 1043 98 98 ALA N N 135.616 0.3 1 1044 99 99 ARG H H 7.926 0.020 1 1045 99 99 ARG CA C 56.575 0.3 1 1046 99 99 ARG CB C 34.008 0.3 1 1047 99 99 ARG N N 120.219 0.3 1 1048 100 100 PRO HA H 4.451 0.020 1 1049 100 100 PRO HB2 H 2.464 0.020 1 1050 100 100 PRO HB3 H 2.464 0.020 1 1051 100 100 PRO HG2 H 2.108 0.020 1 1052 100 100 PRO HG3 H 2.108 0.020 1 1053 100 100 PRO HD2 H 3.633 0.020 1 1054 100 100 PRO HD3 H 3.633 0.020 1 1055 100 100 PRO C C 174.156 0.3 1 1056 100 100 PRO CA C 62.595 0.3 1 1057 100 100 PRO CB C 32.741 0.3 1 1058 100 100 PRO CG C 27.493 0.3 1 1059 100 100 PRO CD C 50.701 0.3 1 1060 101 101 LEU H H 8.352 0.020 1 1061 101 101 LEU HA H 3.732 0.020 1 1062 101 101 LEU HB2 H 1.508 0.020 2 1063 101 101 LEU HB3 H 1.257 0.020 2 1064 101 101 LEU HG H 1.284 0.020 1 1065 101 101 LEU HD1 H 0.693 0.020 1 1066 101 101 LEU HD2 H 0.757 0.020 1 1067 101 101 LEU C C 178.332 0.3 1 1068 101 101 LEU CA C 54.898 0.3 1 1069 101 101 LEU CB C 43.846 0.3 1 1070 101 101 LEU CG C 27.335 0.3 1 1071 101 101 LEU CD1 C 24.927 0.3 1 1072 101 101 LEU CD2 C 24.907 0.3 1 1073 101 101 LEU N N 118.703 0.3 1 1074 102 102 ARG H H 8.064 0.020 1 1075 102 102 ARG HA H 3.653 0.020 1 1076 102 102 ARG HB2 H 2.249 0.020 1 1077 102 102 ARG HB3 H 2.249 0.020 1 1078 102 102 ARG HG2 H 1.278 0.020 1 1079 102 102 ARG HG3 H 1.278 0.020 1 1080 102 102 ARG C C 176.476 0.3 1 1081 102 102 ARG CA C 58.748 0.3 1 1082 102 102 ARG CB C 33.379 0.3 1 1083 102 102 ARG CG C 24.547 0.3 1 1084 102 102 ARG N N 124.095 0.3 1 1085 103 103 CYS H H 7.612 0.020 1 1086 103 103 CYS HA H 4.109 0.020 1 1087 103 103 CYS HB2 H 2.931 0.020 2 1088 103 103 CYS HB3 H 2.725 0.020 2 1089 103 103 CYS HG H 1.141 0.020 1 1090 103 103 CYS C C 175.058 0.3 1 1091 103 103 CYS CA C 59.054 0.3 1 1092 103 103 CYS CB C 26.477 0.3 1 1093 103 103 CYS N N 115.259 0.3 1 1094 104 104 ILE H H 7.670 0.020 1 1095 104 104 ILE HA H 4.176 0.020 1 1096 104 104 ILE HB H 2.139 0.020 1 1097 104 104 ILE HG12 H 1.248 0.020 2 1098 104 104 ILE HG13 H 1.451 0.020 2 1099 104 104 ILE HG2 H 0.932 0.020 1 1100 104 104 ILE HD1 H 0.913 0.020 1 1101 104 104 ILE C C 174.981 0.3 1 1102 104 104 ILE CA C 60.736 0.3 1 1103 104 104 ILE CB C 37.679 0.3 1 1104 104 104 ILE CG1 C 27.609 0.3 1 1105 104 104 ILE CG2 C 18.051 0.3 1 1106 104 104 ILE CD1 C 13.213 0.3 1 1107 104 104 ILE N N 117.445 0.3 1 1108 105 105 ASN H H 7.569 0.020 1 1109 105 105 ASN HA H 5.105 0.020 1 1110 105 105 ASN HB2 H 2.470 0.020 2 1111 105 105 ASN HB3 H 2.771 0.020 2 1112 105 105 ASN HD21 H 7.914 0.020 1 1113 105 105 ASN HD22 H 7.029 0.020 1 1114 105 105 ASN CA C 50.418 0.3 1 1115 105 105 ASN CB C 39.207 0.3 1 1116 105 105 ASN N N 118.895 0.3 1 1117 105 105 ASN ND2 N 113.229 0.3 1 1118 106 106 PRO HA H 4.360 0.020 1 1119 106 106 PRO HB2 H 1.910 0.020 2 1120 106 106 PRO HB3 H 2.272 0.020 2 1121 106 106 PRO HG2 H 1.916 0.020 1 1122 106 106 PRO HG3 H 1.916 0.020 1 1123 106 106 PRO HD2 H 3.463 0.020 1 1124 106 106 PRO HD3 H 3.463 0.020 1 1125 106 106 PRO C C 176.605 0.3 1 1126 106 106 PRO CA C 64.235 0.3 1 1127 106 106 PRO CB C 32.008 0.3 1 1128 106 106 PRO CG C 26.916 0.3 1 1129 106 106 PRO CD C 50.407 0.3 1 1130 107 107 ASP H H 7.723 0.020 1 1131 107 107 ASP HA H 4.544 0.020 1 1132 107 107 ASP HB2 H 2.708 0.020 2 1133 107 107 ASP HB3 H 2.551 0.020 2 1134 107 107 ASP C C 175.703 0.3 1 1135 107 107 ASP CA C 54.397 0.3 1 1136 107 107 ASP CB C 40.723 0.3 1 1137 107 107 ASP N N 115.996 0.3 1 1138 108 108 GLN H H 7.620 0.020 1 1139 108 108 GLN HA H 4.347 0.020 1 1140 108 108 GLN HB2 H 1.984 0.020 2 1141 108 108 GLN HB3 H 2.126 0.020 2 1142 108 108 GLN HG2 H 2.802 0.020 1 1143 108 108 GLN HG3 H 2.802 0.020 1 1144 108 108 GLN CA C 55.447 0.3 1 1145 108 108 GLN CB C 30.371 0.3 1 1146 108 108 GLN CG C 32.935 0.3 1 1147 108 108 GLN N N 120.492 0.3 1 1148 109 109 GLN HA H 4.016 0.020 1 1149 109 109 GLN HB2 H 2.038 0.020 1 1150 109 109 GLN HB3 H 2.038 0.020 1 1151 109 109 GLN HG2 H 2.381 0.020 1 1152 109 109 GLN HG3 H 2.381 0.020 1 1153 109 109 GLN HE21 H 7.542 0.020 1 1154 109 109 GLN HE22 H 6.824 0.020 1 1155 109 109 GLN C C 176.940 0.3 1 1156 109 109 GLN CA C 58.187 0.3 1 1157 109 109 GLN CB C 29.265 0.3 1 1158 109 109 GLN CG C 34.030 0.3 1 1159 109 109 GLN NE2 N 112.776 0.3 1 1160 110 110 GLU H H 8.578 0.020 1 1161 110 110 GLU HA H 4.266 0.020 1 1162 110 110 GLU HB2 H 1.959 0.020 2 1163 110 110 GLU HB3 H 1.837 0.020 2 1164 110 110 GLU HG2 H 2.166 0.020 2 1165 110 110 GLU HG3 H 2.317 0.020 2 1166 110 110 GLU C C 175.857 0.3 1 1167 110 110 GLU CA C 56.505 0.3 1 1168 110 110 GLU CB C 29.257 0.3 1 1169 110 110 GLU CG C 36.126 0.3 1 1170 110 110 GLU N N 119.599 0.3 1 1171 111 111 TYR H H 8.493 0.020 1 1172 111 111 TYR HA H 3.913 0.020 1 1173 111 111 TYR HB2 H 2.950 0.020 2 1174 111 111 TYR HB3 H 2.524 0.020 2 1175 111 111 TYR HD1 H 6.580 0.020 1 1176 111 111 TYR HD2 H 6.580 0.020 1 1177 111 111 TYR HE1 H 6.771 0.020 1 1178 111 111 TYR HE2 H 6.771 0.020 1 1179 111 111 TYR C C 174.182 0.3 1 1180 111 111 TYR CA C 60.701 0.3 1 1181 111 111 TYR CB C 39.801 0.3 1 1182 111 111 TYR CD1 C 128.194 0.3 1 1183 111 111 TYR CE1 C 117.843 0.3 1 1184 111 111 TYR N N 123.474 0.3 1 1185 112 112 ALA H H 8.193 0.020 1 1186 112 112 ALA HA H 3.537 0.020 1 1187 112 112 ALA HB H 1.416 0.020 1 1188 112 112 ALA C C 178.667 0.3 1 1189 112 112 ALA CA C 52.413 0.3 1 1190 112 112 ALA CB C 19.604 0.3 1 1191 112 112 ALA N N 117.089 0.3 1 1192 113 113 GLY H H 7.061 0.020 1 1193 113 113 GLY HA2 H 3.512 0.020 1 1194 113 113 GLY HA3 H 3.512 0.020 1 1195 113 113 GLY C C 172.661 0.3 1 1196 113 113 GLY CA C 43.054 0.3 1 1197 113 113 GLY N N 106.601 0.3 1 1198 114 114 LEU H H 9.087 0.020 1 1199 114 114 LEU HA H 4.979 0.020 1 1200 114 114 LEU HB2 H 1.526 0.020 2 1201 114 114 LEU HB3 H 1.135 0.020 2 1202 114 114 LEU HG H 1.206 0.020 1 1203 114 114 LEU HD1 H 0.716 0.020 1 1204 114 114 LEU HD2 H 0.755 0.020 1 1205 114 114 LEU C C 175.471 0.3 1 1206 114 114 LEU CA C 54.080 0.3 1 1207 114 114 LEU CB C 49.249 0.3 1 1208 114 114 LEU CG C 26.815 0.3 1 1209 114 114 LEU CD1 C 25.104 0.3 1 1210 114 114 LEU CD2 C 24.393 0.3 1 1211 114 114 LEU N N 119.930 0.3 1 1212 115 115 ILE H H 9.349 0.020 1 1213 115 115 ILE HA H 4.541 0.020 1 1214 115 115 ILE HB H 1.026 0.020 1 1215 115 115 ILE HG12 H 0.336 0.020 2 1216 115 115 ILE HG13 H 1.493 0.020 2 1217 115 115 ILE HG2 H -0.050 0.020 1 1218 115 115 ILE HD1 H -0.252 0.020 1 1219 115 115 ILE C C 172.635 0.3 1 1220 115 115 ILE CA C 59.884 0.3 1 1221 115 115 ILE CB C 41.599 0.3 1 1222 115 115 ILE CG1 C 28.755 0.3 1 1223 115 115 ILE CG2 C 18.797 0.3 1 1224 115 115 ILE CD1 C 14.574 0.3 1 1225 115 115 ILE N N 128.969 0.3 1 1226 116 116 GLU H H 9.022 0.020 1 1227 116 116 GLU HA H 5.146 0.020 1 1228 116 116 GLU HB2 H 1.978 0.020 1 1229 116 116 GLU HB3 H 1.978 0.020 1 1230 116 116 GLU HG2 H 2.131 0.020 1 1231 116 116 GLU HG3 H 2.131 0.020 1 1232 116 116 GLU C C 175.084 0.3 1 1233 116 116 GLU CA C 54.101 0.3 1 1234 116 116 GLU CB C 33.019 0.3 1 1235 116 116 GLU CG C 37.409 0.3 1 1236 116 116 GLU N N 124.739 0.3 1 1237 117 117 ILE H H 8.559 0.020 1 1238 117 117 ILE HA H 4.519 0.020 1 1239 117 117 ILE HB H 1.978 0.020 1 1240 117 117 ILE HG12 H 1.241 0.020 1 1241 117 117 ILE HG13 H 1.241 0.020 1 1242 117 117 ILE HG2 H 1.103 0.020 1 1243 117 117 ILE HD1 H 0.624 0.020 1 1244 117 117 ILE C C 175.239 0.3 1 1245 117 117 ILE CA C 62.073 0.3 1 1246 117 117 ILE CB C 38.567 0.3 1 1247 117 117 ILE CG1 C 28.367 0.3 1 1248 117 117 ILE CG2 C 17.214 0.3 1 1249 117 117 ILE CD1 C 13.223 0.3 1 1250 117 117 ILE N N 121.357 0.3 1 1251 118 118 LEU H H 8.829 0.020 1 1252 118 118 LEU HA H 5.339 0.020 1 1253 118 118 LEU HB2 H 1.551 0.020 2 1254 118 118 LEU HB3 H 1.753 0.020 2 1255 118 118 LEU HG H 1.630 0.020 1 1256 118 118 LEU HD1 H 0.854 0.020 1 1257 118 118 LEU HD2 H 0.729 0.020 1 1258 118 118 LEU C C 176.734 0.3 1 1259 118 118 LEU CA C 53.322 0.3 1 1260 118 118 LEU CB C 45.163 0.3 1 1261 118 118 LEU CG C 27.823 0.3 1 1262 118 118 LEU CD1 C 25.628 0.3 1 1263 118 118 LEU CD2 C 24.306 0.3 1 1264 118 118 LEU N N 127.886 0.3 1 1265 119 119 ASP H H 8.588 0.020 1 1266 119 119 ASP HA H 4.561 0.020 1 1267 119 119 ASP HB2 H 2.738 0.020 1 1268 119 119 ASP HB3 H 2.738 0.020 1 1269 119 119 ASP C C 176.940 0.3 1 1270 119 119 ASP CA C 53.035 0.3 1 1271 119 119 ASP CB C 40.637 0.3 1 1272 119 119 ASP N N 119.155 0.3 1 1273 120 120 GLU H H 8.924 0.020 1 1274 120 120 GLU HA H 4.050 0.020 1 1275 120 120 GLU HB2 H 2.107 0.020 2 1276 120 120 GLU HB3 H 2.042 0.020 2 1277 120 120 GLU HG2 H 2.336 0.020 1 1278 120 120 GLU HG3 H 2.336 0.020 1 1279 120 120 GLU CA C 59.444 0.3 1 1280 120 120 GLU CB C 29.397 0.3 1 1281 120 120 GLU CG C 36.226 0.3 1 1282 120 120 GLU N N 121.817 0.3 1 1283 121 121 LEU H H 7.579 0.020 1 1284 121 121 LEU HA H 4.294 0.020 1 1285 121 121 LEU HB2 H 1.645 0.020 2 1286 121 121 LEU HB3 H 1.860 0.020 2 1287 121 121 LEU HG H 1.849 0.020 1 1288 121 121 LEU HD1 H 0.925 0.020 1 1289 121 121 LEU HD2 H 0.856 0.020 1 1290 121 121 LEU CA C 55.054 0.3 1 1291 121 121 LEU CB C 41.381 0.3 1 1292 121 121 LEU CG C 27.287 0.3 1 1293 121 121 LEU CD1 C 24.936 0.3 1 1294 121 121 LEU CD2 C 22.559 0.3 1 1295 121 121 LEU N N 116.525 0.3 1 1296 122 122 ARG H H 8.058 0.020 1 1297 122 122 ARG HA H 3.872 0.020 1 1298 122 122 ARG HB2 H 2.001 0.020 1 1299 122 122 ARG HB3 H 2.001 0.020 1 1300 122 122 ARG HG2 H 2.108 0.020 1 1301 122 122 ARG HG3 H 2.108 0.020 1 1302 122 122 ARG HD2 H 3.245 0.020 1 1303 122 122 ARG HD3 H 3.245 0.020 1 1304 122 122 ARG CA C 57.072 0.3 1 1305 122 122 ARG CD C 44.699 0.3 1 1306 122 122 ARG N N 115.490 0.3 1 1307 123 123 THR HB H 4.312 0.020 1 1308 123 123 THR CA C 62.037 0.3 1 1309 123 123 THR CB C 69.471 0.3 1 1310 124 124 THR HA H 4.469 0.020 1 1311 124 124 THR HB H 3.806 0.020 1 1312 124 124 THR HG2 H 1.081 0.020 1 1313 124 124 THR C C 172.145 0.3 1 1314 124 124 THR CA C 61.691 0.3 1 1315 124 124 THR CB C 70.824 0.3 1 1316 124 124 THR CG2 C 20.907 0.3 1 1317 125 125 VAL H H 8.417 0.020 1 1318 125 125 VAL HA H 4.072 0.020 1 1319 125 125 VAL HB H 1.901 0.020 1 1320 125 125 VAL HG1 H 0.840 0.020 1 1321 125 125 VAL HG2 H 0.840 0.020 1 1322 125 125 VAL C C 176.193 0.3 1 1323 125 125 VAL CA C 62.912 0.3 1 1324 125 125 VAL CB C 31.883 0.3 1 1325 125 125 VAL CG1 C 21.563 0.3 1 1326 125 125 VAL N N 125.145 0.3 1 1327 126 126 ILE H H 9.468 0.020 1 1328 126 126 ILE HA H 4.025 0.020 1 1329 126 126 ILE HB H 1.755 0.020 1 1330 126 126 ILE HG12 H 1.092 0.020 1 1331 126 126 ILE HG13 H 1.092 0.020 1 1332 126 126 ILE HG2 H 0.918 0.020 1 1333 126 126 ILE HD1 H 0.785 0.020 1 1334 126 126 ILE C C 176.089 0.3 1 1335 126 126 ILE CA C 62.264 0.3 1 1336 126 126 ILE CB C 38.127 0.3 1 1337 126 126 ILE CG1 C 20.744 0.3 1 1338 126 126 ILE CG2 C 16.914 0.3 1 1339 126 126 ILE CD1 C 11.970 0.3 1 1340 126 126 ILE N N 129.679 0.3 1 1341 127 127 SER H H 7.656 0.020 1 1342 127 127 SER HA H 4.441 0.020 1 1343 127 127 SER HB2 H 3.812 0.020 2 1344 127 127 SER HB3 H 3.879 0.020 2 1345 127 127 SER C C 171.217 0.3 1 1346 127 127 SER CA C 58.308 0.3 1 1347 127 127 SER CB C 62.691 0.3 1 1348 127 127 SER N N 111.989 0.3 1 1349 128 128 GLN H H 7.917 0.020 1 1350 128 128 GLN HA H 5.267 0.020 1 1351 128 128 GLN HB2 H 1.810 0.020 1 1352 128 128 GLN HB3 H 1.810 0.020 1 1353 128 128 GLN HG2 H 2.149 0.020 1 1354 128 128 GLN HG3 H 2.149 0.020 1 1355 128 128 GLN C C 173.795 0.3 1 1356 128 128 GLN CA C 53.753 0.3 1 1357 128 128 GLN CB C 32.321 0.3 1 1358 128 128 GLN CG C 33.586 0.3 1 1359 128 128 GLN N N 116.521 0.3 1 1360 129 129 HIS H H 8.970 0.020 1 1361 129 129 HIS HA H 4.736 0.020 1 1362 129 129 HIS HB2 H 3.035 0.020 2 1363 129 129 HIS HB3 H 2.405 0.020 2 1364 129 129 HIS HD1 H 6.465 0.020 1 1365 129 129 HIS HD2 H 6.395 0.020 1 1366 129 129 HIS HE1 H 7.728 0.020 1 1367 129 129 HIS C C 174.259 0.3 1 1368 129 129 HIS CA C 55.093 0.3 1 1369 129 129 HIS CB C 32.183 0.3 1 1370 129 129 HIS CE1 C 139.187 0.3 1 1371 129 129 HIS N N 119.056 0.3 1 1372 130 130 GLU H H 9.355 0.020 1 1373 130 130 GLU HA H 5.120 0.020 1 1374 130 130 GLU HB2 H 2.029 0.020 2 1375 130 130 GLU HB3 H 1.899 0.020 2 1376 130 130 GLU HG2 H 2.364 0.020 2 1377 130 130 GLU HG3 H 2.218 0.020 2 1378 130 130 GLU C C 175.239 0.3 1 1379 130 130 GLU CA C 56.038 0.3 1 1380 130 130 GLU CB C 32.049 0.3 1 1381 130 130 GLU CG C 37.549 0.3 1 1382 130 130 GLU N N 125.982 0.3 1 1383 131 131 PHE H H 7.919 0.020 1 1384 131 131 PHE HA H 5.094 0.020 1 1385 131 131 PHE HB2 H 2.999 0.020 2 1386 131 131 PHE HB3 H 2.530 0.020 2 1387 131 131 PHE HD1 H 6.813 0.020 1 1388 131 131 PHE HD2 H 6.813 0.020 1 1389 131 131 PHE HE1 H 7.023 0.020 1 1390 131 131 PHE HE2 H 7.023 0.020 1 1391 131 131 PHE HZ H 6.264 0.020 1 1392 131 131 PHE C C 172.661 0.3 1 1393 131 131 PHE CA C 55.588 0.3 1 1394 131 131 PHE CB C 43.721 0.3 1 1395 131 131 PHE CD1 C 132.713 0.3 1 1396 131 131 PHE CE1 C 132.591 0.3 1 1397 131 131 PHE N N 113.995 0.3 1 1398 132 132 GLY H H 7.693 0.020 1 1399 132 132 GLY HA2 H 4.250 0.020 1 1400 132 132 GLY HA3 H 4.250 0.020 1 1401 132 132 GLY C C 175.703 0.3 1 1402 132 132 GLY CA C 45.059 0.3 1 1403 132 132 GLY N N 110.447 0.3 1 1404 133 133 ILE H H 10.617 0.020 1 1405 133 133 ILE HA H 4.299 0.020 1 1406 133 133 ILE HB H 1.967 0.020 1 1407 133 133 ILE HG12 H 1.466 0.020 1 1408 133 133 ILE HG13 H 1.466 0.020 1 1409 133 133 ILE HG2 H 1.006 0.020 1 1410 133 133 ILE HD1 H 1.247 0.020 1 1411 133 133 ILE C C 177.146 0.3 1 1412 133 133 ILE CA C 61.223 0.3 1 1413 133 133 ILE CB C 39.206 0.3 1 1414 133 133 ILE CG1 C 28.671 0.3 1 1415 133 133 ILE CG2 C 20.009 0.3 1 1416 133 133 ILE CD1 C 14.270 0.3 1 1417 133 133 ILE N N 124.003 0.3 1 1418 134 134 THR H H 7.363 0.020 1 1419 134 134 THR HA H 4.042 0.020 1 1420 134 134 THR HB H 4.256 0.020 1 1421 134 134 THR HG2 H 0.321 0.020 1 1422 134 134 THR C C 175.883 0.3 1 1423 134 134 THR CA C 62.960 0.3 1 1424 134 134 THR CB C 67.336 0.3 1 1425 134 134 THR CG2 C 21.787 0.3 1 1426 134 134 THR N N 107.961 0.3 1 1427 135 135 SER H H 7.888 0.020 1 1428 135 135 SER HA H 4.403 0.020 1 1429 135 135 SER HB2 H 3.818 0.020 1 1430 135 135 SER HB3 H 3.818 0.020 1 1431 135 135 SER C C 171.862 0.3 1 1432 135 135 SER CA C 60.340 0.3 1 1433 135 135 SER CB C 63.844 0.3 1 1434 135 135 SER N N 116.583 0.3 1 1435 136 136 LEU H H 6.862 0.020 1 1436 136 136 LEU HA H 4.153 0.020 1 1437 136 136 LEU HB2 H 1.480 0.020 2 1438 136 136 LEU HB3 H 1.708 0.020 2 1439 136 136 LEU HG H 1.096 0.020 1 1440 136 136 LEU HD1 H 0.632 0.020 1 1441 136 136 LEU HD2 H 0.467 0.020 1 1442 136 136 LEU C C 176.476 0.3 1 1443 136 136 LEU CA C 54.907 0.3 1 1444 136 136 LEU CB C 42.304 0.3 1 1445 136 136 LEU CG C 26.019 0.3 1 1446 136 136 LEU CD1 C 22.459 0.3 1 1447 136 136 LEU CD2 C 22.805 0.3 1 1448 136 136 LEU N N 116.847 0.3 1 1449 137 137 VAL H H 7.941 0.020 1 1450 137 137 VAL HA H 3.718 0.020 1 1451 137 137 VAL HB H 1.886 0.020 1 1452 137 137 VAL HG1 H 0.908 0.020 1 1453 137 137 VAL HG2 H 0.822 0.020 1 1454 137 137 VAL C C 176.321 0.3 1 1455 137 137 VAL CA C 65.993 0.3 1 1456 137 137 VAL CB C 31.961 0.3 1 1457 137 137 VAL CG1 C 20.828 0.3 1 1458 137 137 VAL CG2 C 22.030 0.3 1 1459 137 137 VAL N N 123.888 0.3 1 1460 138 138 ASN H H 9.150 0.020 1 1461 138 138 ASN HA H 4.916 0.020 1 1462 138 138 ASN HB2 H 2.719 0.020 2 1463 138 138 ASN HB3 H 3.118 0.020 2 1464 138 138 ASN C C 175.445 0.3 1 1465 138 138 ASN CA C 51.074 0.3 1 1466 138 138 ASN CB C 37.863 0.3 1 1467 138 138 ASN N N 118.769 0.3 1 1468 139 139 LYS H H 8.681 0.020 1 1469 139 139 LYS HA H 3.929 0.020 1 1470 139 139 LYS HB2 H 2.029 0.020 1 1471 139 139 LYS HB3 H 2.029 0.020 1 1472 139 139 LYS HG2 H 1.589 0.020 1 1473 139 139 LYS HG3 H 1.589 0.020 1 1474 139 139 LYS HD2 H 1.604 0.020 1 1475 139 139 LYS HD3 H 1.604 0.020 1 1476 139 139 LYS HE2 H 3.085 0.020 1 1477 139 139 LYS HE3 H 3.085 0.020 1 1478 139 139 LYS C C 174.904 0.3 1 1479 139 139 LYS CA C 58.398 0.3 1 1480 139 139 LYS CB C 32.337 0.3 1 1481 139 139 LYS CG C 26.922 0.3 1 1482 139 139 LYS CD C 28.967 0.3 1 1483 139 139 LYS CE C 42.479 0.3 1 1484 139 139 LYS N N 122.231 0.3 1 1485 140 140 ARG H H 7.824 0.020 1 1486 140 140 ARG HA H 4.216 0.020 1 1487 140 140 ARG HB2 H 1.976 0.020 2 1488 140 140 ARG HB3 H 1.749 0.020 2 1489 140 140 ARG HG2 H 1.579 0.020 2 1490 140 140 ARG HG3 H 1.698 0.020 2 1491 140 140 ARG HD2 H 3.222 0.020 1 1492 140 140 ARG HD3 H 3.222 0.020 1 1493 140 140 ARG C C 176.347 0.3 1 1494 140 140 ARG CA C 55.763 0.3 1 1495 140 140 ARG CB C 30.050 0.3 1 1496 140 140 ARG CG C 27.898 0.3 1 1497 140 140 ARG CD C 43.086 0.3 1 1498 140 140 ARG N N 113.584 0.3 1 1499 141 141 ASP H H 7.445 0.020 1 1500 141 141 ASP HA H 4.491 0.020 1 1501 141 141 ASP HB2 H 2.493 0.020 2 1502 141 141 ASP HB3 H 2.707 0.020 2 1503 141 141 ASP C C 175.239 0.3 1 1504 141 141 ASP CA C 54.343 0.3 1 1505 141 141 ASP CB C 40.672 0.3 1 1506 141 141 ASP N N 121.127 0.3 1 1507 142 142 LEU H H 8.339 0.020 1 1508 142 142 LEU HA H 4.359 0.020 1 1509 142 142 LEU HB2 H 1.416 0.020 1 1510 142 142 LEU HB3 H 1.416 0.020 1 1511 142 142 LEU HG H 1.384 0.020 1 1512 142 142 LEU HD1 H 0.828 0.020 1 1513 142 142 LEU HD2 H 0.933 0.020 1 1514 142 142 LEU C C 175.857 0.3 1 1515 142 142 LEU CA C 54.346 0.3 1 1516 142 142 LEU CB C 41.535 0.3 1 1517 142 142 LEU CG C 26.654 0.3 1 1518 142 142 LEU CD1 C 25.241 0.3 1 1519 142 142 LEU CD2 C 23.713 0.3 1 1520 142 142 LEU N N 124.854 0.3 1 1521 143 143 LEU H H 7.520 0.020 1 1522 143 143 LEU HA H 4.483 0.020 1 1523 143 143 LEU HB2 H 1.939 0.020 1 1524 143 143 LEU HB3 H 1.939 0.020 1 1525 143 143 LEU HG H 1.260 0.020 1 1526 143 143 LEU HD1 H 0.627 0.020 1 1527 143 143 LEU HD2 H 0.332 0.020 1 1528 143 143 LEU C C 175.703 0.3 1 1529 143 143 LEU CA C 54.318 0.3 1 1530 143 143 LEU CB C 42.179 0.3 1 1531 143 143 LEU CG C 26.909 0.3 1 1532 143 143 LEU CD1 C 23.284 0.3 1 1533 143 143 LEU CD2 C 26.316 0.3 1 1534 143 143 LEU N N 121.949 0.3 1 1535 144 144 GLN H H 8.917 0.020 1 1536 144 144 GLN HA H 4.492 0.020 1 1537 144 144 GLN HB2 H 1.801 0.020 2 1538 144 144 GLN HB3 H 2.043 0.020 2 1539 144 144 GLN HG2 H 2.367 0.020 1 1540 144 144 GLN HG3 H 2.367 0.020 1 1541 144 144 GLN C C 175.058 0.3 1 1542 144 144 GLN CA C 53.197 0.3 1 1543 144 144 GLN CB C 31.552 0.3 1 1544 144 144 GLN CG C 33.559 0.3 1 1545 144 144 GLN N N 121.242 0.3 1 1546 145 145 LYS H H 8.803 0.020 1 1547 145 145 LYS HA H 3.616 0.020 1 1548 145 145 LYS HB2 H 1.747 0.020 2 1549 145 145 LYS HB3 H 1.487 0.020 2 1550 145 145 LYS HG2 H 1.272 0.020 2 1551 145 145 LYS HG3 H 1.395 0.020 2 1552 145 145 LYS HD2 H 1.710 0.020 1 1553 145 145 LYS HD3 H 1.710 0.020 1 1554 145 145 LYS HE2 H 3.032 0.020 1 1555 145 145 LYS HE3 H 3.032 0.020 1 1556 145 145 LYS C C 177.275 0.3 1 1557 145 145 LYS CA C 58.462 0.3 1 1558 145 145 LYS CB C 32.262 0.3 1 1559 145 145 LYS CG C 25.163 0.3 1 1560 145 145 LYS CD C 29.483 0.3 1 1561 145 145 LYS CE C 41.755 0.3 1 1562 145 145 LYS N N 120.506 0.3 1 1563 146 146 GLY H H 9.375 0.020 1 1564 146 146 GLY HA2 H 3.411 0.020 2 1565 146 146 GLY HA3 H 4.438 0.020 2 1566 146 146 GLY C C 174.259 0.3 1 1567 146 146 GLY CA C 44.456 0.3 1 1568 146 146 GLY N N 116.111 0.3 1 1569 147 147 ASP H H 8.183 0.020 1 1570 147 147 ASP HA H 4.555 0.020 1 1571 147 147 ASP HB2 H 2.763 0.020 2 1572 147 147 ASP HB3 H 2.429 0.020 2 1573 147 147 ASP CA C 55.526 0.3 1 1574 147 147 ASP CB C 40.579 0.3 1 1575 147 147 ASP N N 122.208 0.3 1 1576 148 148 LEU H H 9.075 0.020 1 1577 148 148 LEU HA H 4.970 0.020 1 1578 148 148 LEU HB2 H 1.858 0.020 2 1579 148 148 LEU HB3 H 1.698 0.020 2 1580 148 148 LEU HG H 1.830 0.020 1 1581 148 148 LEU HD1 H 0.985 0.020 1 1582 148 148 LEU HD2 H 0.928 0.020 1 1583 148 148 LEU C C 177.533 0.3 1 1584 148 148 LEU CA C 54.351 0.3 1 1585 148 148 LEU CB C 41.891 0.3 1 1586 148 148 LEU CG C 27.379 0.3 1 1587 148 148 LEU CD1 C 24.785 0.3 1 1588 148 148 LEU CD2 C 23.534 0.3 1 1589 148 148 LEU N N 130.258 0.3 1 1590 149 149 VAL H H 8.583 0.020 1 1591 149 149 VAL HA H 5.311 0.020 1 1592 149 149 VAL HB H 1.979 0.020 1 1593 149 149 VAL HG1 H 0.462 0.020 1 1594 149 149 VAL HG2 H 0.342 0.020 1 1595 149 149 VAL C C 174.878 0.3 1 1596 149 149 VAL CA C 58.316 0.3 1 1597 149 149 VAL CB C 36.227 0.3 1 1598 149 149 VAL CG1 C 22.954 0.3 1 1599 149 149 VAL CG2 C 18.209 0.3 1 1600 149 149 VAL N N 113.350 0.3 1 1601 150 150 SER H H 9.104 0.020 1 1602 150 150 SER HA H 5.751 0.020 1 1603 150 150 SER HB2 H 3.818 0.020 2 1604 150 150 SER HB3 H 3.720 0.020 2 1605 150 150 SER CA C 56.142 0.3 1 1606 150 150 SER CB C 65.355 0.3 1 1607 150 150 SER N N 117.422 0.3 1 1608 151 151 PHE H H 9.153 0.020 1 1609 151 151 PHE HA H 5.169 0.020 1 1610 151 151 PHE HB2 H 3.080 0.020 1 1611 151 151 PHE HB3 H 3.080 0.020 1 1612 151 151 PHE HD1 H 6.968 0.020 1 1613 151 151 PHE HD2 H 6.968 0.020 1 1614 151 151 PHE HE1 H 6.758 0.020 1 1615 151 151 PHE HE2 H 6.758 0.020 1 1616 151 151 PHE CA C 56.156 0.3 1 1617 151 151 PHE CB C 40.975 0.3 1 1618 151 151 PHE CD1 C 133.276 0.3 1 1619 151 151 PHE CE1 C 132.325 0.3 1 1620 151 151 PHE N N 119.631 0.3 1 1621 152 152 ARG H H 8.813 0.020 1 1622 152 152 ARG HA H 5.444 0.020 1 1623 152 152 ARG HB2 H 1.910 0.020 2 1624 152 152 ARG HB3 H 1.706 0.020 2 1625 152 152 ARG HG2 H 1.582 0.020 1 1626 152 152 ARG HG3 H 1.582 0.020 1 1627 152 152 ARG HD2 H 3.059 0.020 1 1628 152 152 ARG HD3 H 3.059 0.020 1 1629 152 152 ARG CA C 54.153 0.3 1 1630 152 152 ARG CB C 34.428 0.3 1 1631 152 152 ARG CG C 27.116 0.3 1 1632 152 152 ARG CD C 43.697 0.3 1 1633 152 152 ARG N N 118.275 0.3 1 1634 153 153 ILE H H 9.313 0.020 1 1635 153 153 ILE HA H 4.621 0.020 1 1636 153 153 ILE HB H 1.384 0.020 1 1637 153 153 ILE HG12 H 1.034 0.020 2 1638 153 153 ILE HG13 H 0.055 0.020 2 1639 153 153 ILE HG2 H 0.925 0.020 1 1640 153 153 ILE HD1 H 0.004 0.020 1 1641 153 153 ILE CA C 60.057 0.3 1 1642 153 153 ILE CB C 40.344 0.3 1 1643 153 153 ILE CG1 C 28.991 0.3 1 1644 153 153 ILE CG2 C 17.918 0.3 1 1645 153 153 ILE CD1 C 12.917 0.3 1 1646 153 153 ILE N N 122.277 0.3 1 1647 154 154 ASP H H 9.009 0.020 1 1648 154 154 ASP HA H 5.414 0.020 1 1649 154 154 ASP HB2 H 3.122 0.020 2 1650 154 154 ASP HB3 H 2.311 0.020 2 1651 154 154 ASP CA C 51.553 0.3 1 1652 154 154 ASP CB C 43.294 0.3 1 1653 154 154 ASP N N 123.727 0.3 1 1654 155 155 GLU H H 8.709 0.020 1 1655 155 155 GLU HA H 4.046 0.020 1 1656 155 155 GLU HB2 H 2.099 0.020 1 1657 155 155 GLU HB3 H 2.099 0.020 1 1658 155 155 GLU HG2 H 2.470 0.020 1 1659 155 155 GLU HG3 H 2.470 0.020 1 1660 155 155 GLU C C 176.270 0.3 1 1661 155 155 GLU CA C 59.138 0.3 1 1662 155 155 GLU CB C 29.882 0.3 1 1663 155 155 GLU CG C 37.539 0.3 1 1664 155 155 GLU N N 116.433 0.3 1 1665 156 156 SER H H 8.794 0.020 1 1666 156 156 SER HA H 4.797 0.020 1 1667 156 156 SER HB2 H 3.866 0.020 2 1668 156 156 SER HB3 H 4.137 0.020 2 1669 156 156 SER C C 174.672 0.3 1 1670 156 156 SER CA C 58.227 0.3 1 1671 156 156 SER CB C 65.174 0.3 1 1672 156 156 SER N N 115.259 0.3 1 1673 157 157 GLY H H 8.468 0.020 1 1674 157 157 GLY HA2 H 3.728 0.020 2 1675 157 157 GLY HA3 H 4.536 0.020 2 1676 157 157 GLY C C 174.697 0.3 1 1677 157 157 GLY CA C 45.348 0.3 1 1678 157 157 GLY N N 111.306 0.3 1 1679 158 158 ARG H H 7.837 0.020 1 1680 158 158 ARG HA H 4.599 0.020 1 1681 158 158 ARG HB2 H 1.841 0.020 1 1682 158 158 ARG HB3 H 1.841 0.020 1 1683 158 158 ARG HG2 H 1.467 0.020 1 1684 158 158 ARG HG3 H 1.467 0.020 1 1685 158 158 ARG HD2 H 3.431 0.020 2 1686 158 158 ARG HD3 H 3.322 0.020 2 1687 158 158 ARG C C 175.058 0.3 1 1688 158 158 ARG CA C 56.185 0.3 1 1689 158 158 ARG CB C 31.048 0.3 1 1690 158 158 ARG CG C 30.383 0.3 1 1691 158 158 ARG CD C 42.519 0.3 1 1692 158 158 ARG N N 122.737 0.3 1 1693 159 159 ALA H H 8.718 0.020 1 1694 159 159 ALA HA H 4.818 0.020 1 1695 159 159 ALA HB H 1.007 0.020 1 1696 159 159 ALA C C 176.863 0.3 1 1697 159 159 ALA CA C 51.476 0.3 1 1698 159 159 ALA CB C 21.081 0.3 1 1699 159 159 ALA N N 119.976 0.3 1 1700 160 160 ALA H H 9.664 0.020 1 1701 160 160 ALA HA H 4.711 0.020 1 1702 160 160 ALA HB H 1.342 0.020 1 1703 160 160 ALA C C 174.414 0.3 1 1704 160 160 ALA CA C 50.562 0.3 1 1705 160 160 ALA CB C 24.233 0.3 1 1706 160 160 ALA N N 126.803 0.3 1 1707 161 161 CYS H H 9.216 0.020 1 1708 161 161 CYS HA H 3.612 0.020 1 1709 161 161 CYS HB2 H 2.955 0.020 2 1710 161 161 CYS HB3 H 2.814 0.020 2 1711 161 161 CYS HG H 0.808 0.020 1 1712 161 161 CYS C C 173.486 0.3 1 1713 161 161 CYS CA C 59.014 0.3 1 1714 161 161 CYS CB C 25.154 0.3 1 1715 161 161 CYS N N 117.583 0.3 1 1716 162 162 VAL H H 8.989 0.020 1 1717 162 162 VAL HA H 4.329 0.020 1 1718 162 162 VAL HB H 1.764 0.020 1 1719 162 162 VAL HG1 H 0.463 0.020 1 1720 162 162 VAL HG2 H 0.320 0.020 1 1721 162 162 VAL C C 175.729 0.3 1 1722 162 162 VAL CA C 62.753 0.3 1 1723 162 162 VAL CB C 31.864 0.3 1 1724 162 162 VAL CG1 C 22.699 0.3 1 1725 162 162 VAL CG2 C 21.790 0.3 1 1726 162 162 VAL N N 116.686 0.3 1 1727 163 163 ASN H H 9.349 0.020 1 1728 163 163 ASN HA H 4.989 0.020 1 1729 163 163 ASN HB2 H 2.570 0.020 2 1730 163 163 ASN HB3 H 2.685 0.020 2 1731 163 163 ASN HD22 H 6.882 0.020 1 1732 163 163 ASN C C 173.615 0.3 1 1733 163 163 ASN CA C 51.914 0.3 1 1734 163 163 ASN CB C 42.713 0.3 1 1735 163 163 ASN N N 128.185 0.3 1 1736 163 163 ASN ND2 N 113.358 0.3 1 1737 164 164 ALA H H 9.070 0.020 1 1738 164 164 ALA HA H 4.536 0.020 1 1739 164 164 ALA HB H 1.324 0.020 1 1740 164 164 ALA C C 177.301 0.3 1 1741 164 164 ALA CA C 52.389 0.3 1 1742 164 164 ALA CB C 18.693 0.3 1 1743 164 164 ALA N N 125.982 0.3 1 1744 165 165 VAL H H 8.185 0.020 1 1745 165 165 VAL HA H 4.047 0.020 1 1746 165 165 VAL HB H 1.857 0.020 1 1747 165 165 VAL HG1 H 0.867 0.020 1 1748 165 165 VAL HG2 H 0.867 0.020 1 1749 165 165 VAL C C 175.497 0.3 1 1750 165 165 VAL CA C 62.515 0.3 1 1751 165 165 VAL CB C 31.833 0.3 1 1752 165 165 VAL CG1 C 20.793 0.3 1 1753 165 165 VAL N N 123.290 0.3 1 1754 166 166 ARG H H 8.434 0.020 1 1755 166 166 ARG HA H 4.464 0.020 1 1756 166 166 ARG HB2 H 1.750 0.020 2 1757 166 166 ARG HB3 H 1.839 0.020 2 1758 166 166 ARG HG2 H 1.612 0.020 2 1759 166 166 ARG HG3 H 1.593 0.020 2 1760 166 166 ARG HD2 H 3.164 0.020 1 1761 166 166 ARG HD3 H 3.164 0.020 1 1762 166 166 ARG HE H 6.650 0.020 1 1763 166 166 ARG C C 173.790 0.3 1 1764 166 166 ARG CA C 55.198 0.3 1 1765 166 166 ARG CB C 30.959 0.3 1 1766 166 166 ARG CG C 27.072 0.3 1 1767 166 166 ARG CD C 43.006 0.3 1 1768 166 166 ARG N N 124.946 0.3 1 1769 166 166 ARG NE N 85.402 0.3 1 1770 167 167 GLN H H 8.466 0.020 1 1771 167 167 GLN HA H 4.335 0.020 1 1772 167 167 GLN HB2 H 2.116 0.020 2 1773 167 167 GLN HB3 H 1.979 0.020 2 1774 167 167 GLN HG2 H 2.355 0.020 1 1775 167 167 GLN HG3 H 2.355 0.020 1 1776 167 167 GLN HE21 H 8.115 0.020 1 1777 167 167 GLN HE22 H 6.744 0.020 1 1778 167 167 GLN C C 174.697 0.3 1 1779 167 167 GLN CA C 55.679 0.3 1 1780 167 167 GLN CB C 29.604 0.3 1 1781 167 167 GLN CG C 33.678 0.3 1 1782 167 167 GLN N N 122.565 0.3 1 1783 167 167 GLN NE2 N 113.967 0.3 1 1784 168 168 LYS H H 8.065 0.020 1 1785 168 168 LYS HA H 4.130 0.020 1 1786 168 168 LYS HB2 H 1.709 0.020 1 1787 168 168 LYS HB3 H 1.709 0.020 1 1788 168 168 LYS HG2 H 1.602 0.020 2 1789 168 168 LYS HG3 H 1.389 0.020 2 1790 168 168 LYS HD2 H 1.805 0.020 2 1791 168 168 LYS HD3 H 1.987 0.020 2 1792 168 168 LYS HE2 H 3.087 0.020 1 1793 168 168 LYS HE3 H 3.087 0.020 1 1794 168 168 LYS CA C 57.667 0.3 1 1795 168 168 LYS CB C 33.498 0.3 1 1796 168 168 LYS CG C 24.696 0.3 1 1797 168 168 LYS CD C 28.929 0.3 1 1798 168 168 LYS CE C 41.786 0.3 1 stop_ save_