data_30722 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the N-terminal domain of the Serine/threonine-protein phosphatase 1 regulatory subunit 10, PPP1R10 ; _BMRB_accession_number 30722 _BMRB_flat_file_name bmr30722.str _Entry_type original _Submission_date 2020-02-12 _Accession_date 2020-02-12 _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 Lemak A. . . 2 Wei Y. . . 3 Duan S. . . 4 Houliston S. . . 5 Penn L. Z. . 6 Arrowsmith C. H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 860 "13C chemical shifts" 629 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-21 original BMRB . stop_ _Original_release_date 2020-02-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of the N-terminal TFIIS domain of the Serine/threonine-protein phosphatase 1 regulatory subunit 10, PPP1R10 ; _Citation_status 'To be published' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lemak A. . . 2 Wei Y. . . 3 Duan S. . . 4 Houliston S. . . 5 Penn L. Z. . 6 Arrowsmith C. H. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E3 ubiquitin-protein ligase UHRF1 (E.C.2.3.2.27)' _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 16648.477 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MGSGPIDPKELLKGLDSFLT RDGEVKSVDGIAKIFSLMKE ARKMVSRCTYLNIILQTRAP EVLVKFIDVGGYKLLNSWLT YSKTTNNIPLLQQILLTLQH LPLTVDHLKQNNTAKLVKQL SKSSEDEELRKLASVLVSDW MAVIRSQS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 GLY 5 PRO 6 ILE 7 ASP 8 PRO 9 LYS 10 GLU 11 LEU 12 LEU 13 LYS 14 GLY 15 LEU 16 ASP 17 SER 18 PHE 19 LEU 20 THR 21 ARG 22 ASP 23 GLY 24 GLU 25 VAL 26 LYS 27 SER 28 VAL 29 ASP 30 GLY 31 ILE 32 ALA 33 LYS 34 ILE 35 PHE 36 SER 37 LEU 38 MET 39 LYS 40 GLU 41 ALA 42 ARG 43 LYS 44 MET 45 VAL 46 SER 47 ARG 48 CYS 49 THR 50 TYR 51 LEU 52 ASN 53 ILE 54 ILE 55 LEU 56 GLN 57 THR 58 ARG 59 ALA 60 PRO 61 GLU 62 VAL 63 LEU 64 VAL 65 LYS 66 PHE 67 ILE 68 ASP 69 VAL 70 GLY 71 GLY 72 TYR 73 LYS 74 LEU 75 LEU 76 ASN 77 SER 78 TRP 79 LEU 80 THR 81 TYR 82 SER 83 LYS 84 THR 85 THR 86 ASN 87 ASN 88 ILE 89 PRO 90 LEU 91 LEU 92 GLN 93 GLN 94 ILE 95 LEU 96 LEU 97 THR 98 LEU 99 GLN 100 HIS 101 LEU 102 PRO 103 LEU 104 THR 105 VAL 106 ASP 107 HIS 108 LEU 109 LYS 110 GLN 111 ASN 112 ASN 113 THR 114 ALA 115 LYS 116 LEU 117 VAL 118 LYS 119 GLN 120 LEU 121 SER 122 LYS 123 SER 124 SER 125 GLU 126 ASP 127 GLU 128 GLU 129 LEU 130 ARG 131 LYS 132 LEU 133 ALA 134 SER 135 VAL 136 LEU 137 VAL 138 SER 139 ASP 140 TRP 141 MET 142 ALA 143 VAL 144 ILE 145 ARG 146 SER 147 GLN 148 SER 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 Rat 10116 Eukaryota Metazoa Rattus norvegicus 'Ppp1r10, Cat53, Pnuts' 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 '450 uM [U-13C; U-15N] PPP1R10 N-terminal domain, 2.5 % glycerol, 200 mM NaCl, 20 mM HEPES, 1 mM DTT, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 450 uM '[U-13C; U-15N]' glycerol 2.5 % 'natural abundance' NaCl 200 mM 'natural abundance' HEPES 20 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name ABACUS _Version . loop_ _Vendor _Address _Electronic_address 'Lemak and Arrowsmith' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_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_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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' 200 . mM pH 6.9 . pH pressure 1 . atm temperature 303 . 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 TMS C 13 'methyl protons' ppm 0 external indirect . . . 0.251 TMS H 1 'methyl protons' ppm 0 external direct . . . 1 TMS N 15 'methyl protons' ppm 0 external indirect . . . 0.10137 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D HNCO' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.118 0.04 1 2 1 1 MET HA H 4.416 0.04 1 3 1 1 MET HB2 H 2.055 0.04 2 4 1 1 MET HB3 H 1.946 0.04 2 5 1 1 MET HG2 H 2.529 0.04 2 6 1 1 MET HG3 H 2.465 0.04 2 7 1 1 MET HE H 2.006 0.04 1 8 1 1 MET C C 176.704 0.40 1 9 1 1 MET CA C 55.819 0.40 1 10 1 1 MET CB C 32.867 0.40 1 11 1 1 MET CG C 32.144 0.40 1 12 1 1 MET CE C 16.890 0.40 1 13 1 1 MET N N 119.504 0.40 1 14 2 2 GLY H H 8.406 0.04 1 15 2 2 GLY HA2 H 4.000 0.04 2 16 2 2 GLY HA3 H 3.929 0.04 2 17 2 2 GLY C C 174.062 0.40 1 18 2 2 GLY CA C 45.575 0.40 1 19 2 2 GLY N N 109.803 0.40 1 20 3 3 SER H H 8.119 0.04 1 21 3 3 SER HA H 4.447 0.04 1 22 3 3 SER HB2 H 3.857 0.04 2 23 3 3 SER HB3 H 3.796 0.04 2 24 3 3 SER C C 174.404 0.40 1 25 3 3 SER CA C 58.502 0.40 1 26 3 3 SER CB C 64.144 0.40 1 27 3 3 SER N N 115.150 0.40 1 28 4 4 GLY H H 8.195 0.04 1 29 4 4 GLY HA2 H 4.042 0.04 2 30 4 4 GLY HA3 H 4.042 0.04 2 31 4 4 GLY CA C 44.647 0.40 1 32 4 4 GLY N N 109.964 0.40 1 33 5 5 PRO HA H 4.410 0.04 1 34 5 5 PRO HB2 H 2.173 0.04 2 35 5 5 PRO HB3 H 1.845 0.04 2 36 5 5 PRO HG2 H 1.942 0.04 2 37 5 5 PRO HG3 H 1.942 0.04 2 38 5 5 PRO HD2 H 3.544 0.04 2 39 5 5 PRO HD3 H 3.544 0.04 2 40 5 5 PRO C C 176.746 0.40 1 41 5 5 PRO CA C 63.104 0.40 1 42 5 5 PRO CB C 32.320 0.40 1 43 5 5 PRO CG C 27.166 0.40 1 44 5 5 PRO CD C 49.775 0.40 1 45 6 6 ILE H H 8.024 0.04 1 46 6 6 ILE HA H 4.109 0.04 1 47 6 6 ILE HB H 1.716 0.04 1 48 6 6 ILE HG12 H 1.386 0.04 2 49 6 6 ILE HG13 H 1.108 0.04 2 50 6 6 ILE HG2 H 0.760 0.04 1 51 6 6 ILE HD1 H 0.763 0.04 1 52 6 6 ILE C C 175.006 0.40 1 53 6 6 ILE CA C 60.351 0.40 1 54 6 6 ILE CB C 39.373 0.40 1 55 6 6 ILE CG1 C 27.459 0.40 1 56 6 6 ILE CG2 C 17.652 0.40 1 57 6 6 ILE CD1 C 13.131 0.40 1 58 6 6 ILE N N 120.234 0.40 1 59 7 7 ASP H H 8.326 0.04 1 60 7 7 ASP HA H 4.861 0.04 1 61 7 7 ASP HB2 H 2.758 0.04 2 62 7 7 ASP HB3 H 2.567 0.04 2 63 7 7 ASP CA C 51.240 0.40 1 64 7 7 ASP CB C 42.223 0.40 1 65 7 7 ASP N N 125.995 0.40 1 66 8 8 PRO HA H 4.089 0.04 1 67 8 8 PRO HB2 H 2.205 0.04 2 68 8 8 PRO HB3 H 1.888 0.04 2 69 8 8 PRO HG2 H 1.988 0.04 2 70 8 8 PRO HG3 H 1.863 0.04 2 71 8 8 PRO HD2 H 3.882 0.04 2 72 8 8 PRO HD3 H 3.882 0.04 2 73 8 8 PRO C C 177.800 0.40 1 74 8 8 PRO CA C 64.857 0.40 1 75 8 8 PRO CB C 32.484 0.40 1 76 8 8 PRO CG C 27.384 0.40 1 77 8 8 PRO CD C 51.124 0.40 1 78 9 9 LYS H H 8.271 0.04 1 79 9 9 LYS HA H 3.960 0.04 1 80 9 9 LYS HB2 H 1.853 0.04 2 81 9 9 LYS HB3 H 1.747 0.04 2 82 9 9 LYS HG2 H 1.440 0.04 2 83 9 9 LYS HG3 H 1.364 0.04 2 84 9 9 LYS HD2 H 1.660 0.04 2 85 9 9 LYS HD3 H 1.660 0.04 2 86 9 9 LYS HE2 H 2.967 0.04 2 87 9 9 LYS HE3 H 2.967 0.04 2 88 9 9 LYS C C 179.046 0.40 1 89 9 9 LYS CA C 58.941 0.40 1 90 9 9 LYS CB C 31.827 0.40 1 91 9 9 LYS CG C 25.171 0.40 1 92 9 9 LYS CD C 29.093 0.40 1 93 9 9 LYS CE C 41.896 0.40 1 94 9 9 LYS N N 116.728 0.40 1 95 10 10 GLU H H 7.810 0.04 1 96 10 10 GLU HA H 4.078 0.04 1 97 10 10 GLU HB2 H 2.103 0.04 2 98 10 10 GLU HB3 H 2.036 0.04 2 99 10 10 GLU HG2 H 2.311 0.04 2 100 10 10 GLU HG3 H 2.214 0.04 2 101 10 10 GLU C C 178.525 0.40 1 102 10 10 GLU CA C 58.010 0.40 1 103 10 10 GLU CB C 29.745 0.40 1 104 10 10 GLU CG C 36.285 0.40 1 105 10 10 GLU N N 118.719 0.40 1 106 11 11 LEU H H 7.609 0.04 1 107 11 11 LEU HA H 4.117 0.04 1 108 11 11 LEU HB2 H 1.665 0.04 2 109 11 11 LEU HB3 H 1.493 0.04 2 110 11 11 LEU HD1 H 0.701 0.04 2 111 11 11 LEU HD2 H 0.781 0.04 2 112 11 11 LEU C C 178.512 0.40 1 113 11 11 LEU CA C 57.078 0.40 1 114 11 11 LEU CB C 42.125 0.40 1 115 11 11 LEU CD1 C 23.618 0.40 2 116 11 11 LEU CD2 C 25.062 0.40 2 117 11 11 LEU N N 119.807 0.40 1 118 12 12 LEU H H 7.738 0.04 1 119 12 12 LEU HA H 4.150 0.04 1 120 12 12 LEU HB2 H 1.673 0.04 2 121 12 12 LEU HB3 H 1.505 0.04 2 122 12 12 LEU HD1 H 0.711 0.04 2 123 12 12 LEU HD2 H 0.777 0.04 2 124 12 12 LEU C C 178.266 0.40 1 125 12 12 LEU CA C 55.628 0.40 1 126 12 12 LEU CB C 41.686 0.40 1 127 12 12 LEU CD1 C 23.291 0.40 2 128 12 12 LEU CD2 C 25.089 0.40 2 129 12 12 LEU N N 117.147 0.40 1 130 13 13 LYS H H 7.539 0.04 1 131 13 13 LYS HA H 4.097 0.04 1 132 13 13 LYS HB2 H 1.868 0.04 2 133 13 13 LYS HB3 H 1.868 0.04 2 134 13 13 LYS HG2 H 1.418 0.04 2 135 13 13 LYS HG3 H 1.418 0.04 2 136 13 13 LYS HE2 H 2.936 0.04 2 137 13 13 LYS HE3 H 2.936 0.04 2 138 13 13 LYS C C 178.279 0.40 1 139 13 13 LYS CA C 58.503 0.40 1 140 13 13 LYS CB C 32.374 0.40 1 141 13 13 LYS CG C 24.844 0.40 1 142 13 13 LYS CE C 42.087 0.40 1 143 13 13 LYS N N 120.758 0.40 1 144 14 14 GLY H H 8.333 0.04 1 145 14 14 GLY HA2 H 4.082 0.04 2 146 14 14 GLY HA3 H 3.976 0.04 2 147 14 14 GLY C C 175.376 0.40 1 148 14 14 GLY CA C 45.849 0.40 1 149 14 14 GLY N N 108.148 0.40 1 150 15 15 LEU H H 7.806 0.04 1 151 15 15 LEU HA H 4.598 0.04 1 152 15 15 LEU HB2 H 1.778 0.04 2 153 15 15 LEU HB3 H 1.778 0.04 2 154 15 15 LEU HD1 H 0.861 0.04 2 155 15 15 LEU HD2 H 0.869 0.04 2 156 15 15 LEU C C 177.184 0.40 1 157 15 15 LEU CA C 54.778 0.40 1 158 15 15 LEU CB C 42.508 0.40 1 159 15 15 LEU CD1 C 23.618 0.40 2 160 15 15 LEU CD2 C 25.961 0.40 2 161 15 15 LEU N N 119.487 0.40 1 162 16 16 ASP H H 7.995 0.04 1 163 16 16 ASP HA H 4.197 0.04 1 164 16 16 ASP HB2 H 2.740 0.04 2 165 16 16 ASP HB3 H 2.613 0.04 2 166 16 16 ASP C C 177.608 0.40 1 167 16 16 ASP CA C 57.735 0.40 1 168 16 16 ASP CB C 41.085 0.40 1 169 16 16 ASP N N 118.764 0.40 1 170 17 17 SER H H 8.142 0.04 1 171 17 17 SER HA H 4.172 0.04 1 172 17 17 SER HB2 H 3.547 0.04 2 173 17 17 SER HB3 H 3.472 0.04 2 174 17 17 SER C C 174.911 0.40 1 175 17 17 SER CA C 60.584 0.40 1 176 17 17 SER CB C 62.939 0.40 1 177 17 17 SER N N 112.376 0.40 1 178 18 18 PHE H H 8.032 0.04 1 179 18 18 PHE HA H 4.723 0.04 1 180 18 18 PHE HB2 H 3.409 0.04 2 181 18 18 PHE HB3 H 2.979 0.04 2 182 18 18 PHE HD1 H 7.225 0.04 3 183 18 18 PHE HD2 H 7.225 0.04 3 184 18 18 PHE HE1 H 7.225 0.04 3 185 18 18 PHE HE2 H 7.225 0.04 3 186 18 18 PHE C C 174.828 0.40 1 187 18 18 PHE CA C 57.900 0.40 1 188 18 18 PHE CB C 40.481 0.40 1 189 18 18 PHE CD1 C 131.869 0.40 3 190 18 18 PHE CE1 C 131.055 0.40 3 191 18 18 PHE N N 117.568 0.40 1 192 19 19 LEU H H 7.458 0.04 1 193 19 19 LEU HA H 5.503 0.04 1 194 19 19 LEU HB2 H 1.729 0.04 2 195 19 19 LEU HB3 H 1.430 0.04 2 196 19 19 LEU HD1 H 0.686 0.04 2 197 19 19 LEU HD2 H 0.800 0.04 2 198 19 19 LEU C C 178.197 0.40 1 199 19 19 LEU CA C 53.163 0.40 1 200 19 19 LEU CB C 45.248 0.40 1 201 19 19 LEU CD1 C 23.945 0.40 2 202 19 19 LEU CD2 C 26.179 0.40 2 203 19 19 LEU N N 119.690 0.40 1 204 20 20 THR H H 9.174 0.04 1 205 20 20 THR HA H 4.612 0.04 1 206 20 20 THR HG2 H 1.320 0.04 1 207 20 20 THR CA C 60.610 0.40 1 208 20 20 THR CG2 C 22.351 0.40 1 209 20 20 THR N N 111.883 0.40 1 210 21 21 ARG HA H 4.148 0.04 1 211 21 21 ARG HB2 H 1.903 0.04 2 212 21 21 ARG HB3 H 1.903 0.04 2 213 21 21 ARG HG2 H 1.692 0.04 2 214 21 21 ARG HG3 H 1.692 0.04 2 215 21 21 ARG HD2 H 3.205 0.04 2 216 21 21 ARG HD3 H 3.205 0.04 2 217 21 21 ARG C C 176.623 0.40 1 218 21 21 ARG CA C 58.557 0.40 1 219 21 21 ARG CB C 29.690 0.40 1 220 21 21 ARG CG C 26.669 0.40 1 221 21 21 ARG CD C 43.394 0.40 1 222 22 22 ASP H H 7.598 0.04 1 223 22 22 ASP HA H 4.750 0.04 1 224 22 22 ASP HB2 H 2.870 0.04 2 225 22 22 ASP HB3 H 2.471 0.04 2 226 22 22 ASP C C 175.760 0.40 1 227 22 22 ASP CA C 54.066 0.40 1 228 22 22 ASP CB C 41.386 0.40 1 229 22 22 ASP N N 115.054 0.40 1 230 23 23 GLY H H 7.901 0.04 1 231 23 23 GLY HA2 H 4.062 0.04 2 232 23 23 GLY HA3 H 3.393 0.04 2 233 23 23 GLY C C 172.062 0.40 1 234 23 23 GLY CA C 46.068 0.40 1 235 23 23 GLY N N 107.781 0.40 1 236 24 24 GLU H H 7.227 0.04 1 237 24 24 GLU HA H 4.332 0.04 1 238 24 24 GLU HB2 H 1.966 0.04 2 239 24 24 GLU HB3 H 1.966 0.04 2 240 24 24 GLU HG2 H 2.339 0.04 2 241 24 24 GLU HG3 H 2.076 0.04 2 242 24 24 GLU C C 177.062 0.40 1 243 24 24 GLU CA C 54.519 0.40 1 244 24 24 GLU CB C 31.551 0.40 1 245 24 24 GLU CG C 36.666 0.40 1 246 24 24 GLU N N 114.564 0.40 1 247 25 25 VAL H H 8.257 0.04 1 248 25 25 VAL HA H 4.136 0.04 1 249 25 25 VAL HB H 1.958 0.04 1 250 25 25 VAL HG1 H 0.812 0.04 2 251 25 25 VAL HG2 H 1.042 0.04 2 252 25 25 VAL C C 176.869 0.40 1 253 25 25 VAL CA C 64.164 0.40 1 254 25 25 VAL CB C 30.973 0.40 1 255 25 25 VAL CG1 C 22.583 0.40 2 256 25 25 VAL CG2 C 22.637 0.40 2 257 25 25 VAL N N 123.037 0.40 1 258 26 26 LYS H H 8.411 0.04 1 259 26 26 LYS HA H 4.082 0.04 1 260 26 26 LYS HB2 H 1.776 0.04 2 261 26 26 LYS HB3 H 1.776 0.04 2 262 26 26 LYS HG2 H 1.438 0.04 2 263 26 26 LYS HG3 H 1.379 0.04 2 264 26 26 LYS HD2 H 1.564 0.04 2 265 26 26 LYS HD3 H 1.564 0.04 2 266 26 26 LYS HE2 H 2.856 0.04 2 267 26 26 LYS HE3 H 2.856 0.04 2 268 26 26 LYS C C 176.390 0.40 1 269 26 26 LYS CA C 58.886 0.40 1 270 26 26 LYS CB C 34.319 0.40 1 271 26 26 LYS CG C 25.198 0.40 1 272 26 26 LYS CD C 29.638 0.40 1 273 26 26 LYS CE C 42.046 0.40 1 274 26 26 LYS N N 125.441 0.40 1 275 27 27 SER H H 7.997 0.04 1 276 27 27 SER HA H 4.903 0.04 1 277 27 27 SER HB2 H 3.847 0.04 2 278 27 27 SER HB3 H 4.238 0.04 2 279 27 27 SER C C 174.856 0.40 1 280 27 27 SER CA C 56.339 0.40 1 281 27 27 SER CB C 67.021 0.40 1 282 27 27 SER N N 111.031 0.40 1 283 28 28 VAL H H 8.865 0.04 1 284 28 28 VAL HA H 3.800 0.04 1 285 28 28 VAL HB H 2.115 0.04 1 286 28 28 VAL HG1 H 1.026 0.04 2 287 28 28 VAL HG2 H 1.018 0.04 2 288 28 28 VAL C C 177.622 0.40 1 289 28 28 VAL CA C 65.788 0.40 1 290 28 28 VAL CB C 31.881 0.40 1 291 28 28 VAL CG1 C 20.376 0.40 2 292 28 28 VAL CG2 C 21.684 0.40 2 293 28 28 VAL N N 118.934 0.40 1 294 29 29 ASP H H 8.228 0.04 1 295 29 29 ASP HA H 4.461 0.04 1 296 29 29 ASP HB2 H 2.658 0.04 2 297 29 29 ASP HB3 H 2.580 0.04 2 298 29 29 ASP C C 178.471 0.40 1 299 29 29 ASP CA C 56.804 0.40 1 300 29 29 ASP CB C 40.646 0.40 1 301 29 29 ASP N N 120.101 0.40 1 302 30 30 GLY H H 7.995 0.04 1 303 30 30 GLY HA2 H 3.929 0.04 2 304 30 30 GLY HA3 H 3.546 0.04 2 305 30 30 GLY C C 175.554 0.40 1 306 30 30 GLY CA C 46.616 0.40 1 307 30 30 GLY N N 107.357 0.40 1 308 31 31 ILE H H 7.596 0.04 1 309 31 31 ILE HA H 4.148 0.04 1 310 31 31 ILE HB H 2.040 0.04 1 311 31 31 ILE HG12 H 1.639 0.04 2 312 31 31 ILE HG13 H 1.639 0.04 2 313 31 31 ILE HG2 H 1.139 0.04 1 314 31 31 ILE HD1 H 0.834 0.04 1 315 31 31 ILE C C 176.485 0.40 1 316 31 31 ILE CA C 60.529 0.40 1 317 31 31 ILE CB C 36.429 0.40 1 318 31 31 ILE CG1 C 29.475 0.40 1 319 31 31 ILE CG2 C 19.014 0.40 1 320 31 31 ILE CD1 C 11.714 0.40 1 321 31 31 ILE N N 120.322 0.40 1 322 32 32 ALA H H 7.899 0.04 1 323 32 32 ALA HA H 4.089 0.04 1 324 32 32 ALA HB H 1.524 0.04 1 325 32 32 ALA C C 180.183 0.40 1 326 32 32 ALA CA C 55.654 0.40 1 327 32 32 ALA CB C 17.968 0.40 1 328 32 32 ALA N N 124.542 0.40 1 329 33 33 LYS H H 7.366 0.04 1 330 33 33 LYS HA H 4.082 0.04 1 331 33 33 LYS HB2 H 1.571 0.04 2 332 33 33 LYS HB3 H 1.571 0.04 2 333 33 33 LYS HG2 H 1.189 0.04 2 334 33 33 LYS HG3 H 1.189 0.04 2 335 33 33 LYS HD2 H 1.537 0.04 2 336 33 33 LYS HD3 H 1.537 0.04 2 337 33 33 LYS HE2 H 2.911 0.04 2 338 33 33 LYS HE3 H 2.854 0.04 2 339 33 33 LYS C C 179.142 0.40 1 340 33 33 LYS CA C 58.338 0.40 1 341 33 33 LYS CB C 31.608 0.40 1 342 33 33 LYS CG C 24.735 0.40 1 343 33 33 LYS CD C 28.412 0.40 1 344 33 33 LYS CE C 42.278 0.40 1 345 33 33 LYS N N 118.368 0.40 1 346 34 34 ILE H H 8.107 0.04 1 347 34 34 ILE HA H 3.612 0.04 1 348 34 34 ILE HB H 1.946 0.04 1 349 34 34 ILE HG12 H 1.503 0.04 2 350 34 34 ILE HG13 H 1.264 0.04 2 351 34 34 ILE HG2 H 0.946 0.04 1 352 34 34 ILE HD1 H 0.834 0.04 1 353 34 34 ILE C C 177.362 0.40 1 354 34 34 ILE CA C 64.312 0.40 1 355 34 34 ILE CB C 37.247 0.40 1 356 34 34 ILE CG1 C 29.829 0.40 1 357 34 34 ILE CG2 C 16.890 0.40 1 358 34 34 ILE CD1 C 13.321 0.40 1 359 34 34 ILE N N 119.288 0.40 1 360 35 35 PHE H H 8.926 0.04 1 361 35 35 PHE HA H 4.093 0.04 1 362 35 35 PHE HB2 H 3.070 0.04 2 363 35 35 PHE HB3 H 3.070 0.04 2 364 35 35 PHE HD1 H 6.938 0.04 3 365 35 35 PHE HD2 H 6.938 0.04 3 366 35 35 PHE C C 175.760 0.40 1 367 35 35 PHE CA C 62.063 0.40 1 368 35 35 PHE CB C 39.577 0.40 1 369 35 35 PHE CD1 C 130.805 0.40 3 370 35 35 PHE N N 121.142 0.40 1 371 36 36 SER H H 7.541 0.04 1 372 36 36 SER HA H 3.719 0.04 1 373 36 36 SER HB2 H 3.963 0.04 2 374 36 36 SER HB3 H 3.726 0.04 2 375 36 36 SER C C 176.321 0.40 1 376 36 36 SER CA C 62.255 0.40 1 377 36 36 SER CB C 62.994 0.40 1 378 36 36 SER N N 112.777 0.40 1 379 37 37 LEU H H 7.246 0.04 1 380 37 37 LEU HA H 4.011 0.04 1 381 37 37 LEU HB2 H 1.661 0.04 2 382 37 37 LEU HB3 H 1.462 0.04 2 383 37 37 LEU HD1 H 0.849 0.04 2 384 37 37 LEU HD2 H 0.876 0.04 2 385 37 37 LEU C C 180.033 0.40 1 386 37 37 LEU CA C 57.216 0.40 1 387 37 37 LEU CB C 41.320 0.40 1 388 37 37 LEU CD1 C 22.637 0.40 2 389 37 37 LEU CD2 C 25.933 0.40 2 390 37 37 LEU N N 120.812 0.40 1 391 38 38 MET H H 8.345 0.04 1 392 38 38 MET HA H 3.264 0.04 1 393 38 38 MET HB2 H 1.813 0.04 2 394 38 38 MET HB3 H 1.813 0.04 2 395 38 38 MET HG2 H 2.328 0.04 2 396 38 38 MET HG3 H 2.183 0.04 2 397 38 38 MET HE H 1.831 0.04 1 398 38 38 MET C C 178.005 0.40 1 399 38 38 MET CA C 59.571 0.40 1 400 38 38 MET CB C 33.179 0.40 1 401 38 38 MET CG C 33.389 0.40 1 402 38 38 MET CE C 17.543 0.40 1 403 38 38 MET N N 121.291 0.40 1 404 39 39 LYS H H 7.774 0.04 1 405 39 39 LYS HA H 3.796 0.04 1 406 39 39 LYS HB2 H 1.498 0.04 2 407 39 39 LYS HB3 H 1.323 0.04 2 408 39 39 LYS HG2 H 1.130 0.04 2 409 39 39 LYS HG3 H 0.984 0.04 2 410 39 39 LYS HD2 H 1.426 0.04 2 411 39 39 LYS HD3 H 1.426 0.04 2 412 39 39 LYS HE2 H 2.854 0.04 2 413 39 39 LYS HE3 H 2.778 0.04 2 414 39 39 LYS C C 177.485 0.40 1 415 39 39 LYS CA C 59.050 0.40 1 416 39 39 LYS CB C 31.752 0.40 1 417 39 39 LYS CG C 24.490 0.40 1 418 39 39 LYS CD C 29.447 0.40 1 419 39 39 LYS CE C 41.733 0.40 1 420 39 39 LYS N N 115.736 0.40 1 421 40 40 GLU H H 6.953 0.04 1 422 40 40 GLU HA H 4.395 0.04 1 423 40 40 GLU HB2 H 2.294 0.04 2 424 40 40 GLU HB3 H 1.786 0.04 2 425 40 40 GLU HG2 H 2.348 0.04 2 426 40 40 GLU HG3 H 2.171 0.04 2 427 40 40 GLU C C 176.020 0.40 1 428 40 40 GLU CA C 54.941 0.40 1 429 40 40 GLU CB C 30.324 0.40 1 430 40 40 GLU CG C 35.685 0.40 1 431 40 40 GLU N N 115.229 0.40 1 432 41 41 ALA H H 7.590 0.04 1 433 41 41 ALA HA H 4.389 0.04 1 434 41 41 ALA HB H 1.554 0.04 1 435 41 41 ALA CA C 53.269 0.40 1 436 41 41 ALA CB C 18.756 0.40 1 437 41 41 ALA N N 123.551 0.40 1 438 42 42 ARG HA H 4.149 0.04 1 439 42 42 ARG HB2 H 1.803 0.04 2 440 42 42 ARG HB3 H 1.671 0.04 2 441 42 42 ARG HG2 H 1.607 0.04 2 442 42 42 ARG HG3 H 1.510 0.04 2 443 42 42 ARG HD2 H 3.084 0.04 2 444 42 42 ARG HD3 H 3.084 0.04 2 445 42 42 ARG C C 176.217 0.40 1 446 42 42 ARG CA C 56.415 0.40 1 447 42 42 ARG CB C 32.852 0.40 1 448 42 42 ARG CG C 27.323 0.40 1 449 42 42 ARG CD C 43.122 0.40 1 450 43 43 LYS H H 7.963 0.04 1 451 43 43 LYS N N 119.837 0.40 1 452 44 44 MET HA H 3.820 0.04 1 453 44 44 MET HB2 H 2.126 0.04 2 454 44 44 MET HB3 H 2.126 0.04 2 455 44 44 MET HG2 H 2.570 0.04 2 456 44 44 MET HG3 H 2.570 0.04 2 457 44 44 MET HE H 1.996 0.04 1 458 44 44 MET C C 178.115 0.40 1 459 44 44 MET CA C 59.817 0.40 1 460 44 44 MET CB C 31.772 0.40 1 461 44 44 MET CG C 32.716 0.40 1 462 44 44 MET CE C 17.843 0.40 1 463 45 45 VAL H H 8.685 0.04 1 464 45 45 VAL HA H 3.773 0.04 1 465 45 45 VAL HB H 2.017 0.04 1 466 45 45 VAL HG1 H 0.882 0.04 2 467 45 45 VAL HG2 H 0.966 0.04 2 468 45 45 VAL C C 178.183 0.40 1 469 45 45 VAL CA C 65.788 0.40 1 470 45 45 VAL CB C 31.169 0.40 1 471 45 45 VAL CG1 C 20.540 0.40 2 472 45 45 VAL CG2 C 21.956 0.40 2 473 45 45 VAL N N 116.452 0.40 1 474 46 46 SER H H 6.802 0.04 1 475 46 46 SER HA H 4.015 0.04 1 476 46 46 SER HB2 H 3.924 0.04 2 477 46 46 SER HB3 H 3.924 0.04 2 478 46 46 SER C C 179.676 0.40 1 479 46 46 SER CA C 60.926 0.40 1 480 46 46 SER CB C 62.270 0.40 1 481 46 46 SER N N 117.562 0.40 1 482 47 47 ARG H H 8.025 0.04 1 483 47 47 ARG HA H 3.827 0.04 1 484 47 47 ARG HB2 H 1.571 0.04 2 485 47 47 ARG HB3 H 1.571 0.04 2 486 47 47 ARG C C 178.129 0.40 1 487 47 47 ARG CA C 61.625 0.40 1 488 47 47 ARG CB C 30.238 0.40 1 489 47 47 ARG N N 119.493 0.40 1 490 48 48 CYS H H 8.480 0.04 1 491 48 48 CYS HA H 4.031 0.04 1 492 48 48 CYS HB2 H 2.854 0.04 2 493 48 48 CYS HB3 H 2.854 0.04 2 494 48 48 CYS C C 176.746 0.40 1 495 48 48 CYS CA C 64.090 0.40 1 496 48 48 CYS CB C 27.142 0.40 1 497 48 48 CYS N N 114.227 0.40 1 498 49 49 THR H H 7.702 0.04 1 499 49 49 THR HA H 3.848 0.04 1 500 49 49 THR HB H 4.003 0.04 1 501 49 49 THR HG2 H 0.890 0.04 1 502 49 49 THR C C 176.321 0.40 1 503 49 49 THR CA C 67.514 0.40 1 504 49 49 THR CB C 68.253 0.40 1 505 49 49 THR CG2 C 22.222 0.40 1 506 49 49 THR N N 117.977 0.40 1 507 50 50 TYR H H 7.761 0.04 1 508 50 50 TYR HA H 4.305 0.04 1 509 50 50 TYR HB2 H 3.389 0.04 2 510 50 50 TYR HB3 H 2.998 0.04 2 511 50 50 TYR HD1 H 6.944 0.04 3 512 50 50 TYR HD2 H 6.944 0.04 3 513 50 50 TYR HE1 H 6.605 0.04 3 514 50 50 TYR HE2 H 6.605 0.04 3 515 50 50 TYR C C 178.307 0.40 1 516 50 50 TYR CA C 62.282 0.40 1 517 50 50 TYR CB C 37.688 0.40 1 518 50 50 TYR CD1 C 132.119 0.40 3 519 50 50 TYR CE1 C 117.913 0.40 3 520 50 50 TYR N N 118.707 0.40 1 521 51 51 LEU H H 8.251 0.04 1 522 51 51 LEU HA H 3.992 0.04 1 523 51 51 LEU HB2 H 1.931 0.04 2 524 51 51 LEU HB3 H 1.931 0.04 2 525 51 51 LEU HD1 H 1.001 0.04 2 526 51 51 LEU C C 178.211 0.40 1 527 51 51 LEU CA C 58.557 0.40 1 528 51 51 LEU CB C 39.907 0.40 1 529 51 51 LEU CD1 C 23.046 0.40 2 530 51 51 LEU N N 117.362 0.40 1 531 52 52 ASN H H 7.925 0.04 1 532 52 52 ASN HA H 4.395 0.04 1 533 52 52 ASN HB2 H 2.893 0.04 2 534 52 52 ASN HB3 H 2.732 0.04 2 535 52 52 ASN HD21 H 6.799 0.04 2 536 52 52 ASN HD22 H 7.406 0.04 2 537 52 52 ASN C C 177.307 0.40 1 538 52 52 ASN CA C 56.585 0.40 1 539 52 52 ASN CB C 38.455 0.40 1 540 52 52 ASN N N 116.345 0.40 1 541 52 52 ASN ND2 N 112.257 0.40 1 542 53 53 ILE H H 7.440 0.04 1 543 53 53 ILE HA H 3.870 0.04 1 544 53 53 ILE HB H 2.122 0.04 1 545 53 53 ILE HG12 H 1.766 0.04 2 546 53 53 ILE HG13 H 1.191 0.04 2 547 53 53 ILE HG2 H 0.826 0.04 1 548 53 53 ILE HD1 H 0.790 0.04 1 549 53 53 ILE C C 178.622 0.40 1 550 53 53 ILE CA C 64.911 0.40 1 551 53 53 ILE CB C 38.071 0.40 1 552 53 53 ILE CG1 C 28.337 0.40 1 553 53 53 ILE CG2 C 18.007 0.40 1 554 53 53 ILE CD1 C 14.315 0.40 1 555 53 53 ILE N N 119.088 0.40 1 556 54 54 ILE H H 7.495 0.04 1 557 54 54 ILE HA H 3.395 0.04 1 558 54 54 ILE HB H 2.091 0.04 1 559 54 54 ILE HG12 H 1.386 0.04 2 560 54 54 ILE HG13 H 0.736 0.04 2 561 54 54 ILE HG2 H 0.435 0.04 1 562 54 54 ILE HD1 H 0.065 0.04 1 563 54 54 ILE C C 178.403 0.40 1 564 54 54 ILE CA C 63.542 0.40 1 565 54 54 ILE CB C 35.113 0.40 1 566 54 54 ILE CG1 C 27.254 0.40 1 567 54 54 ILE CG2 C 18.034 0.40 1 568 54 54 ILE CD1 C 9.017 0.40 1 569 54 54 ILE N N 120.837 0.40 1 570 55 55 LEU H H 8.356 0.04 1 571 55 55 LEU HA H 3.278 0.04 1 572 55 55 LEU HB2 H 1.798 0.04 2 573 55 55 LEU HB3 H 1.254 0.04 2 574 55 55 LEU HG H 1.571 0.04 1 575 55 55 LEU HD1 H 0.703 0.04 2 576 55 55 LEU HD2 H 0.592 0.04 2 577 55 55 LEU C C 177.608 0.40 1 578 55 55 LEU CA C 57.818 0.40 1 579 55 55 LEU CB C 42.289 0.40 1 580 55 55 LEU CG C 27.132 0.40 1 581 55 55 LEU CD1 C 24.762 0.40 2 582 55 55 LEU CD2 C 24.217 0.40 2 583 55 55 LEU N N 119.216 0.40 1 584 56 56 GLN H H 7.608 0.04 1 585 56 56 GLN HA H 3.968 0.04 1 586 56 56 GLN HB2 H 2.025 0.04 2 587 56 56 GLN HB3 H 2.025 0.04 2 588 56 56 GLN HG2 H 2.407 0.04 2 589 56 56 GLN HG3 H 2.407 0.04 2 590 56 56 GLN HE21 H 6.764 0.04 2 591 56 56 GLN HE22 H 7.350 0.04 2 592 56 56 GLN C C 176.390 0.40 1 593 56 56 GLN CA C 55.928 0.40 1 594 56 56 GLN CB C 29.088 0.40 1 595 56 56 GLN CG C 33.969 0.40 1 596 56 56 GLN N N 114.622 0.40 1 597 56 56 GLN NE2 N 111.480 0.40 1 598 57 57 THR H H 7.603 0.04 1 599 57 57 THR HA H 4.140 0.04 1 600 57 57 THR HB H 4.564 0.04 1 601 57 57 THR HG2 H 1.370 0.04 1 602 57 57 THR C C 174.486 0.40 1 603 57 57 THR CA C 65.351 0.40 1 604 57 57 THR CB C 69.549 0.40 1 605 57 57 THR CG2 C 20.996 0.40 1 606 57 57 THR N N 116.734 0.40 1 607 58 58 ARG H H 8.855 0.04 1 608 58 58 ARG HA H 4.257 0.04 1 609 58 58 ARG HB2 H 1.942 0.04 2 610 58 58 ARG HB3 H 1.842 0.04 2 611 58 58 ARG HG2 H 1.771 0.04 2 612 58 58 ARG HG3 H 1.659 0.04 2 613 58 58 ARG HD2 H 3.229 0.04 2 614 58 58 ARG HD3 H 3.229 0.04 2 615 58 58 ARG C C 176.937 0.40 1 616 58 58 ARG CA C 56.394 0.40 1 617 58 58 ARG CB C 32.323 0.40 1 618 58 58 ARG CG C 27.486 0.40 1 619 58 58 ARG CD C 43.422 0.40 1 620 58 58 ARG N N 126.278 0.40 1 621 59 59 ALA H H 7.654 0.04 1 622 59 59 ALA HA H 4.620 0.04 1 623 59 59 ALA HB H 1.472 0.04 1 624 59 59 ALA CA C 50.654 0.40 1 625 59 59 ALA CB C 18.538 0.40 1 626 59 59 ALA N N 124.546 0.40 1 627 60 60 PRO HA H 4.058 0.04 1 628 60 60 PRO HB2 H 2.357 0.04 2 629 60 60 PRO HB3 H 2.025 0.04 2 630 60 60 PRO HD2 H 4.241 0.04 2 631 60 60 PRO HD3 H 3.929 0.04 2 632 60 60 PRO C C 178.293 0.40 1 633 60 60 PRO CA C 65.897 0.40 1 634 60 60 PRO CB C 31.936 0.40 1 635 60 60 PRO CD C 51.471 0.40 1 636 61 61 GLU H H 9.627 0.04 1 637 61 61 GLU HA H 4.046 0.04 1 638 61 61 GLU HB2 H 2.029 0.04 2 639 61 61 GLU HB3 H 2.029 0.04 2 640 61 61 GLU HG2 H 2.374 0.04 2 641 61 61 GLU HG3 H 2.284 0.04 2 642 61 61 GLU C C 179.416 0.40 1 643 61 61 GLU CA C 59.543 0.40 1 644 61 61 GLU CB C 28.376 0.40 1 645 61 61 GLU CG C 36.366 0.40 1 646 61 61 GLU N N 115.384 0.40 1 647 62 62 VAL H H 7.054 0.04 1 648 62 62 VAL HA H 3.573 0.04 1 649 62 62 VAL HB H 2.126 0.04 1 650 62 62 VAL HG1 H 0.824 0.04 2 651 62 62 VAL HG2 H 1.090 0.04 2 652 62 62 VAL C C 176.924 0.40 1 653 62 62 VAL CA C 66.007 0.40 1 654 62 62 VAL CB C 31.498 0.40 1 655 62 62 VAL CG1 C 22.637 0.40 2 656 62 62 VAL CG2 C 23.455 0.40 2 657 62 62 VAL N N 119.798 0.40 1 658 63 63 LEU H H 7.416 0.04 1 659 63 63 LEU HA H 3.964 0.04 1 660 63 63 LEU HB2 H 1.899 0.04 2 661 63 63 LEU HB3 H 1.156 0.04 2 662 63 63 LEU HD1 H 0.618 0.04 2 663 63 63 LEU HD2 H 0.728 0.04 2 664 63 63 LEU C C 179.087 0.40 1 665 63 63 LEU CA C 57.790 0.40 1 666 63 63 LEU CB C 41.796 0.40 1 667 63 63 LEU CD1 C 25.062 0.40 2 668 63 63 LEU CD2 C 21.057 0.40 2 669 63 63 LEU N N 119.324 0.40 1 670 64 64 VAL H H 8.636 0.04 1 671 64 64 VAL HA H 3.565 0.04 1 672 64 64 VAL HB H 1.958 0.04 1 673 64 64 VAL HG1 H 0.962 0.04 2 674 64 64 VAL HG2 H 1.092 0.04 2 675 64 64 VAL C C 177.923 0.40 1 676 64 64 VAL CA C 66.828 0.40 1 677 64 64 VAL CB C 31.936 0.40 1 678 64 64 VAL CG1 C 21.520 0.40 2 679 64 64 VAL CG2 C 23.672 0.40 2 680 64 64 VAL N N 118.167 0.40 1 681 65 65 LYS H H 7.305 0.04 1 682 65 65 LYS HA H 4.176 0.04 1 683 65 65 LYS HB2 H 2.181 0.04 2 684 65 65 LYS HB3 H 2.181 0.04 2 685 65 65 LYS HG2 H 1.624 0.04 2 686 65 65 LYS HG3 H 1.340 0.04 2 687 65 65 LYS HD2 H 1.870 0.04 2 688 65 65 LYS HD3 H 1.621 0.04 2 689 65 65 LYS HE2 H 2.700 0.04 2 690 65 65 LYS C C 177.348 0.40 1 691 65 65 LYS CA C 57.790 0.40 1 692 65 65 LYS CB C 30.731 0.40 1 693 65 65 LYS CG C 23.945 0.40 1 694 65 65 LYS CD C 28.358 0.40 1 695 65 65 LYS CE C 41.978 0.40 1 696 65 65 LYS N N 120.134 0.40 1 697 66 66 PHE H H 7.993 0.04 1 698 66 66 PHE HA H 3.870 0.04 1 699 66 66 PHE HB2 H 3.522 0.04 2 700 66 66 PHE HB3 H 3.092 0.04 2 701 66 66 PHE HD1 H 7.014 0.04 3 702 66 66 PHE HD2 H 7.014 0.04 3 703 66 66 PHE C C 176.376 0.40 1 704 66 66 PHE CA C 61.406 0.40 1 705 66 66 PHE CB C 38.126 0.40 1 706 66 66 PHE CD1 C 132.432 0.40 3 707 66 66 PHE N N 116.849 0.40 1 708 67 67 ILE H H 7.500 0.04 1 709 67 67 ILE HA H 3.014 0.04 1 710 67 67 ILE HB H 1.978 0.04 1 711 67 67 ILE HG12 H 1.908 0.04 2 712 67 67 ILE HG13 H 0.503 0.04 2 713 67 67 ILE HG2 H 0.250 0.04 1 714 67 67 ILE HD1 H 0.514 0.04 1 715 67 67 ILE C C 179.027 0.40 1 716 67 67 ILE CA C 66.263 0.40 1 717 67 67 ILE CB C 37.903 0.40 1 718 67 67 ILE CG1 C 29.039 0.40 1 719 67 67 ILE CG2 C 16.717 0.40 1 720 67 67 ILE CD1 C 14.293 0.40 1 721 67 67 ILE N N 118.123 0.40 1 722 68 68 ASP H H 8.513 0.04 1 723 68 68 ASP HA H 4.289 0.04 1 724 68 68 ASP HB2 H 2.717 0.04 2 725 68 68 ASP HB3 H 2.623 0.04 2 726 68 68 ASP C C 178.868 0.40 1 727 68 68 ASP CA C 57.900 0.40 1 728 68 68 ASP CB C 40.865 0.40 1 729 68 68 ASP N N 122.451 0.40 1 730 69 69 VAL H H 7.969 0.04 1 731 69 69 VAL HA H 4.066 0.04 1 732 69 69 VAL HB H 2.072 0.04 1 733 69 69 VAL HG1 H 0.347 0.04 2 734 69 69 VAL HG2 H 0.744 0.04 2 735 69 69 VAL C C 174.596 0.40 1 736 69 69 VAL CA C 62.095 0.40 1 737 69 69 VAL CB C 31.383 0.40 1 738 69 69 VAL CG1 C 18.633 0.40 2 739 69 69 VAL CG2 C 20.731 0.40 2 740 69 69 VAL N N 111.259 0.40 1 741 70 70 GLY H H 7.050 0.04 1 742 70 70 GLY HA2 H 4.263 0.04 2 743 70 70 GLY HA3 H 3.644 0.04 2 744 70 70 GLY C C 176.321 0.40 1 745 70 70 GLY CA C 44.644 0.40 1 746 70 70 GLY N N 103.372 0.40 1 747 71 71 GLY H H 7.929 0.04 1 748 71 71 GLY HA2 H 2.904 0.04 2 749 71 71 GLY HA3 H 1.755 0.04 2 750 71 71 GLY C C 174.445 0.40 1 751 71 71 GLY CA C 47.302 0.40 1 752 71 71 GLY N N 110.931 0.40 1 753 72 72 TYR H H 7.424 0.04 1 754 72 72 TYR HA H 4.179 0.04 1 755 72 72 TYR HB2 H 3.096 0.04 2 756 72 72 TYR HB3 H 2.646 0.04 2 757 72 72 TYR HD1 H 6.818 0.04 3 758 72 72 TYR HD2 H 6.818 0.04 3 759 72 72 TYR HE1 H 6.777 0.04 3 760 72 72 TYR HE2 H 6.777 0.04 3 761 72 72 TYR C C 177.211 0.40 1 762 72 72 TYR CA C 60.717 0.40 1 763 72 72 TYR CB C 39.107 0.40 1 764 72 72 TYR CD1 C 132.307 0.40 3 765 72 72 TYR CE1 C 118.727 0.40 3 766 72 72 TYR N N 120.063 0.40 1 767 73 73 LYS H H 7.529 0.04 1 768 73 73 LYS HA H 3.648 0.04 1 769 73 73 LYS HB2 H 1.821 0.04 2 770 73 73 LYS HB3 H 1.821 0.04 2 771 73 73 LYS HG2 H 1.438 0.04 2 772 73 73 LYS HG3 H 1.354 0.04 2 773 73 73 LYS HD2 H 1.695 0.04 2 774 73 73 LYS HD3 H 1.695 0.04 2 775 73 73 LYS HE2 H 2.983 0.04 2 776 73 73 LYS HE3 H 2.983 0.04 2 777 73 73 LYS C C 178.813 0.40 1 778 73 73 LYS CA C 59.817 0.40 1 779 73 73 LYS CB C 31.827 0.40 1 780 73 73 LYS CG C 24.926 0.40 1 781 73 73 LYS CD C 29.257 0.40 1 782 73 73 LYS CE C 42.305 0.40 1 783 73 73 LYS N N 122.621 0.40 1 784 74 74 LEU H H 7.951 0.04 1 785 74 74 LEU HA H 3.980 0.04 1 786 74 74 LEU HB2 H 1.630 0.04 2 787 74 74 LEU HB3 H 1.630 0.04 2 788 74 74 LEU HG H 0.345 0.04 1 789 74 74 LEU HD1 H 0.701 0.04 2 790 74 74 LEU HD2 H 0.201 0.04 2 791 74 74 LEU C C 178.430 0.40 1 792 74 74 LEU CA C 57.900 0.40 1 793 74 74 LEU CB C 42.070 0.40 1 794 74 74 LEU CG C 26.315 0.40 1 795 74 74 LEU CD1 C 24.272 0.40 2 796 74 74 LEU CD2 C 26.151 0.40 2 797 74 74 LEU N N 120.664 0.40 1 798 75 75 LEU H H 7.804 0.04 1 799 75 75 LEU HA H 3.702 0.04 1 800 75 75 LEU HB2 H 1.872 0.04 2 801 75 75 LEU HB3 H 1.872 0.04 2 802 75 75 LEU HD1 H 0.754 0.04 2 803 75 75 LEU HD2 H 0.933 0.04 2 804 75 75 LEU C C 178.526 0.40 1 805 75 75 LEU CA C 58.010 0.40 1 806 75 75 LEU CB C 41.084 0.40 1 807 75 75 LEU CD1 C 23.400 0.40 2 808 75 75 LEU CD2 C 26.723 0.40 2 809 75 75 LEU N N 116.519 0.40 1 810 76 76 ASN H H 7.544 0.04 1 811 76 76 ASN HA H 4.074 0.04 1 812 76 76 ASN HB2 H 2.729 0.04 2 813 76 76 ASN HB3 H 2.377 0.04 2 814 76 76 ASN C C 177.047 0.40 1 815 76 76 ASN CA C 58.338 0.40 1 816 76 76 ASN CB C 39.879 0.40 1 817 76 76 ASN N N 118.088 0.40 1 818 77 77 SER H H 7.864 0.04 1 819 77 77 SER HA H 4.379 0.04 1 820 77 77 SER HB2 H 4.231 0.04 2 821 77 77 SER HB3 H 4.231 0.04 2 822 77 77 SER C C 177.786 0.40 1 823 77 77 SER CA C 61.845 0.40 1 824 77 77 SER CB C 62.775 0.40 1 825 77 77 SER N N 117.476 0.40 1 826 78 78 TRP H H 8.780 0.04 1 827 78 78 TRP HA H 4.723 0.04 1 828 78 78 TRP HB2 H 3.284 0.04 2 829 78 78 TRP HB3 H 3.284 0.04 2 830 78 78 TRP HD1 H 7.080 0.04 1 831 78 78 TRP HE1 H 10.416 0.04 1 832 78 78 TRP HE3 H 7.228 0.04 1 833 78 78 TRP HZ2 H 8.029 0.04 1 834 78 78 TRP HZ3 H 6.985 0.04 1 835 78 78 TRP HH2 H 7.005 0.04 1 836 78 78 TRP C C 179.128 0.40 1 837 78 78 TRP CA C 58.910 0.40 1 838 78 78 TRP CB C 29.258 0.40 1 839 78 78 TRP CD1 C 124.942 0.40 1 840 78 78 TRP CE3 C 118.727 0.40 1 841 78 78 TRP CZ2 C 116.007 0.40 1 842 78 78 TRP CZ3 C 120.917 0.40 1 843 78 78 TRP CH2 C 123.733 0.40 1 844 78 78 TRP N N 122.638 0.40 1 845 78 78 TRP NE1 N 130.127 0.40 1 846 79 79 LEU H H 9.221 0.04 1 847 79 79 LEU HA H 4.046 0.04 1 848 79 79 LEU HB2 H 2.154 0.04 2 849 79 79 LEU HB3 H 2.154 0.04 2 850 79 79 LEU HD1 H 0.851 0.04 2 851 79 79 LEU HD2 H 0.941 0.04 2 852 79 79 LEU C C 177.745 0.40 1 853 79 79 LEU CA C 59.050 0.40 1 854 79 79 LEU CB C 42.344 0.40 1 855 79 79 LEU CD1 C 24.708 0.40 2 856 79 79 LEU CD2 C 27.459 0.40 2 857 79 79 LEU N N 125.479 0.40 1 858 80 80 THR H H 8.265 0.04 1 859 80 80 THR HA H 3.816 0.04 1 860 80 80 THR HB H 4.370 0.04 1 861 80 80 THR HG2 H 1.294 0.04 1 862 80 80 THR C C 176.951 0.40 1 863 80 80 THR CA C 67.389 0.40 1 864 80 80 THR CB C 68.582 0.40 1 865 80 80 THR CG2 C 21.590 0.40 1 866 80 80 THR N N 115.626 0.40 1 867 81 81 TYR H H 8.052 0.04 1 868 81 81 TYR HA H 4.361 0.04 1 869 81 81 TYR HB2 H 3.405 0.04 2 870 81 81 TYR HB3 H 3.026 0.04 2 871 81 81 TYR HD1 H 7.014 0.04 3 872 81 81 TYR HD2 H 7.014 0.04 3 873 81 81 TYR HE1 H 6.712 0.04 3 874 81 81 TYR HE2 H 6.712 0.04 3 875 81 81 TYR C C 178.457 0.40 1 876 81 81 TYR CA C 61.460 0.40 1 877 81 81 TYR CB C 38.674 0.40 1 878 81 81 TYR CD1 C 132.870 0.40 3 879 81 81 TYR CE2 C 118.351 0.40 3 880 81 81 TYR N N 122.413 0.40 1 881 82 82 SER H H 8.642 0.04 1 882 82 82 SER HA H 4.007 0.04 1 883 82 82 SER HB2 H 3.894 0.04 2 884 82 82 SER HB3 H 3.894 0.04 2 885 82 82 SER C C 175.033 0.40 1 886 82 82 SER CA C 62.392 0.40 1 887 82 82 SER CB C 62.919 0.40 1 888 82 82 SER N N 117.200 0.40 1 889 83 83 LYS H H 8.512 0.04 1 890 83 83 LYS HA H 4.172 0.04 1 891 83 83 LYS HB2 H 2.115 0.04 2 892 83 83 LYS HB3 H 1.790 0.04 2 893 83 83 LYS HG2 H 1.517 0.04 2 894 83 83 LYS HG3 H 1.428 0.04 2 895 83 83 LYS HD2 H 1.681 0.04 2 896 83 83 LYS HD3 H 1.525 0.04 2 897 83 83 LYS HE2 H 3.116 0.04 2 898 83 83 LYS HE3 H 2.912 0.04 2 899 83 83 LYS C C 179.539 0.40 1 900 83 83 LYS CA C 59.434 0.40 1 901 83 83 LYS CB C 32.813 0.40 1 902 83 83 LYS CG C 25.034 0.40 1 903 83 83 LYS CD C 30.156 0.40 1 904 83 83 LYS CE C 42.735 0.40 1 905 83 83 LYS N N 122.276 0.40 1 906 84 84 THR H H 8.219 0.04 1 907 84 84 THR HA H 4.001 0.04 1 908 84 84 THR HB H 4.278 0.04 1 909 84 84 THR HG2 H 1.257 0.04 1 910 84 84 THR C C 175.760 0.40 1 911 84 84 THR CA C 66.226 0.40 1 912 84 84 THR CB C 69.075 0.40 1 913 84 84 THR CG2 C 21.609 0.40 1 914 84 84 THR N N 116.428 0.40 1 915 85 85 THR H H 7.448 0.04 1 916 85 85 THR HA H 4.215 0.04 1 917 85 85 THR HB H 4.277 0.04 1 918 85 85 THR HG2 H 0.883 0.04 1 919 85 85 THR C C 173.911 0.40 1 920 85 85 THR CA C 61.707 0.40 1 921 85 85 THR CB C 69.595 0.40 1 922 85 85 THR CG2 C 21.704 0.40 1 923 85 85 THR N N 107.855 0.40 1 924 86 86 ASN H H 7.608 0.04 1 925 86 86 ASN HA H 4.187 0.04 1 926 86 86 ASN HB2 H 3.190 0.04 2 927 86 86 ASN HB3 H 2.474 0.04 2 928 86 86 ASN HD21 H 6.799 0.04 2 929 86 86 ASN HD22 H 7.461 0.04 2 930 86 86 ASN C C 173.267 0.40 1 931 86 86 ASN CA C 54.011 0.40 1 932 86 86 ASN CB C 37.907 0.40 1 933 86 86 ASN N N 121.264 0.40 1 934 86 86 ASN ND2 N 111.539 0.40 1 935 87 87 ASN H H 8.309 0.04 1 936 87 87 ASN HA H 4.727 0.04 1 937 87 87 ASN HB2 H 2.889 0.04 2 938 87 87 ASN HB3 H 2.525 0.04 2 939 87 87 ASN HD21 H 6.511 0.04 2 940 87 87 ASN HD22 H 7.744 0.04 2 941 87 87 ASN C C 174.445 0.40 1 942 87 87 ASN CA C 51.639 0.40 1 943 87 87 ASN CB C 37.125 0.40 1 944 87 87 ASN N N 117.552 0.40 1 945 87 87 ASN ND2 N 111.920 0.40 1 946 88 88 ILE H H 8.100 0.04 1 947 88 88 ILE HA H 3.793 0.04 1 948 88 88 ILE HB H 2.145 0.04 1 949 88 88 ILE HG12 H 1.538 0.04 2 950 88 88 ILE HG13 H 1.269 0.04 2 951 88 88 ILE HG2 H 0.872 0.04 1 952 88 88 ILE HD1 H 0.803 0.04 1 953 88 88 ILE CA C 65.745 0.40 1 954 88 88 ILE CB C 34.364 0.40 1 955 88 88 ILE CG1 C 28.708 0.40 1 956 88 88 ILE CG2 C 17.612 0.40 1 957 88 88 ILE CD1 C 11.432 0.40 1 958 88 88 ILE N N 124.034 0.40 1 959 89 89 PRO HA H 4.324 0.04 1 960 89 89 PRO HB2 H 2.285 0.04 2 961 89 89 PRO HB3 H 1.652 0.04 2 962 89 89 PRO HG2 H 2.105 0.04 2 963 89 89 PRO HG3 H 1.917 0.04 2 964 89 89 PRO HD2 H 3.999 0.04 2 965 89 89 PRO HD3 H 3.702 0.04 2 966 89 89 PRO C C 179.840 0.40 1 967 89 89 PRO CA C 66.062 0.40 1 968 89 89 PRO CB C 31.156 0.40 1 969 89 89 PRO CG C 28.419 0.40 1 970 89 89 PRO CD C 49.585 0.40 1 971 90 90 LEU H H 7.134 0.04 1 972 90 90 LEU HA H 4.109 0.04 1 973 90 90 LEU HB2 H 1.661 0.04 2 974 90 90 LEU HB3 H 1.160 0.04 2 975 90 90 LEU HD1 H 0.837 0.04 2 976 90 90 LEU HD2 H 0.783 0.04 2 977 90 90 LEU C C 178.142 0.40 1 978 90 90 LEU CA C 57.253 0.40 1 979 90 90 LEU CB C 41.765 0.40 1 980 90 90 LEU CD1 C 23.781 0.40 2 981 90 90 LEU CD2 C 26.233 0.40 2 982 90 90 LEU N N 117.342 0.40 1 983 91 91 LEU H H 8.457 0.04 1 984 91 91 LEU HA H 3.861 0.04 1 985 91 91 LEU HB2 H 2.126 0.04 2 986 91 91 LEU HB3 H 1.399 0.04 2 987 91 91 LEU HD1 H 0.785 0.04 2 988 91 91 LEU HD2 H 0.826 0.04 2 989 91 91 LEU C C 178.704 0.40 1 990 91 91 LEU CA C 58.949 0.40 1 991 91 91 LEU CB C 42.891 0.40 1 992 91 91 LEU CD1 C 25.334 0.40 2 993 91 91 LEU CD2 C 25.715 0.40 2 994 91 91 LEU N N 120.457 0.40 1 995 92 92 GLN H H 8.780 0.04 1 996 92 92 GLN HA H 3.632 0.04 1 997 92 92 GLN HB2 H 2.173 0.04 2 998 92 92 GLN HB3 H 2.075 0.04 2 999 92 92 GLN HG2 H 2.257 0.04 2 1000 92 92 GLN HG3 H 2.125 0.04 2 1001 92 92 GLN HE21 H 6.501 0.04 2 1002 92 92 GLN HE22 H 6.854 0.04 2 1003 92 92 GLN C C 177.430 0.40 1 1004 92 92 GLN CA C 60.091 0.40 1 1005 92 92 GLN CB C 28.102 0.40 1 1006 92 92 GLN CG C 33.479 0.40 1 1007 92 92 GLN N N 117.488 0.40 1 1008 92 92 GLN NE2 N 109.136 0.40 1 1009 93 93 GLN H H 7.580 0.04 1 1010 93 93 GLN HA H 4.078 0.04 1 1011 93 93 GLN HB2 H 2.158 0.04 2 1012 93 93 GLN HB3 H 2.158 0.04 2 1013 93 93 GLN HG2 H 2.395 0.04 2 1014 93 93 GLN HG3 H 2.395 0.04 2 1015 93 93 GLN HE21 H 6.553 0.04 2 1016 93 93 GLN HE22 H 6.706 0.04 2 1017 93 93 GLN C C 180.087 0.40 1 1018 93 93 GLN CA C 58.734 0.40 1 1019 93 93 GLN CB C 29.174 0.40 1 1020 93 93 GLN CG C 34.214 0.40 1 1021 93 93 GLN N N 116.529 0.40 1 1022 93 93 GLN NE2 N 109.488 0.40 1 1023 94 94 ILE H H 9.040 0.04 1 1024 94 94 ILE HA H 3.659 0.04 1 1025 94 94 ILE HB H 2.079 0.04 1 1026 94 94 ILE HG12 H 2.182 0.04 2 1027 94 94 ILE HG13 H 0.994 0.04 2 1028 94 94 ILE HG2 H 1.005 0.04 1 1029 94 94 ILE HD1 H 0.966 0.04 1 1030 94 94 ILE C C 177.745 0.40 1 1031 94 94 ILE CA C 66.653 0.40 1 1032 94 94 ILE CB C 38.267 0.40 1 1033 94 94 ILE CG1 C 30.692 0.40 1 1034 94 94 ILE CG2 C 18.143 0.40 1 1035 94 94 ILE CD1 C 15.877 0.40 1 1036 94 94 ILE N N 122.411 0.40 1 1037 95 95 LEU H H 8.682 0.04 1 1038 95 95 LEU HA H 3.964 0.04 1 1039 95 95 LEU HB2 H 1.993 0.04 2 1040 95 95 LEU HB3 H 1.313 0.04 2 1041 95 95 LEU HD1 H 0.769 0.04 2 1042 95 95 LEU HD2 H 0.820 0.04 2 1043 95 95 LEU C C 179.101 0.40 1 1044 95 95 LEU CA C 59.817 0.40 1 1045 95 95 LEU CB C 40.098 0.40 1 1046 95 95 LEU CD1 C 24.299 0.40 2 1047 95 95 LEU CD2 C 25.389 0.40 2 1048 95 95 LEU N N 121.171 0.40 1 1049 96 96 LEU H H 8.390 0.04 1 1050 96 96 LEU HA H 4.011 0.04 1 1051 96 96 LEU HB2 H 1.923 0.04 2 1052 96 96 LEU HB3 H 1.399 0.04 2 1053 96 96 LEU HD1 H 0.876 0.04 2 1054 96 96 LEU HD2 H 0.828 0.04 2 1055 96 96 LEU C C 180.210 0.40 1 1056 96 96 LEU CA C 58.119 0.40 1 1057 96 96 LEU CB C 42.234 0.40 1 1058 96 96 LEU CD1 C 23.318 0.40 2 1059 96 96 LEU CD2 C 25.361 0.40 2 1060 96 96 LEU N N 118.503 0.40 1 1061 97 97 THR H H 7.993 0.04 1 1062 97 97 THR HA H 3.796 0.04 1 1063 97 97 THR HB H 4.420 0.04 1 1064 97 97 THR HG2 H 1.098 0.04 1 1065 97 97 THR C C 176.540 0.40 1 1066 97 97 THR CA C 68.540 0.40 1 1067 97 97 THR CB C 67.074 0.40 1 1068 97 97 THR CG2 C 22.004 0.40 1 1069 97 97 THR N N 118.051 0.40 1 1070 98 98 LEU H H 8.836 0.04 1 1071 98 98 LEU HA H 4.082 0.04 1 1072 98 98 LEU HB2 H 1.727 0.04 2 1073 98 98 LEU HB3 H 1.727 0.04 2 1074 98 98 LEU HD1 H 1.186 0.04 2 1075 98 98 LEU HD2 H 1.016 0.04 2 1076 98 98 LEU C C 178.772 0.40 1 1077 98 98 LEU CA C 58.886 0.40 1 1078 98 98 LEU CB C 42.344 0.40 1 1079 98 98 LEU CD1 C 24.408 0.40 2 1080 98 98 LEU CD2 C 27.050 0.40 2 1081 98 98 LEU N N 121.613 0.40 1 1082 99 99 GLN H H 8.192 0.04 1 1083 99 99 GLN HA H 3.972 0.04 1 1084 99 99 GLN HB2 H 1.943 0.04 2 1085 99 99 GLN HB3 H 2.381 0.04 2 1086 99 99 GLN HG2 H 2.373 0.04 2 1087 99 99 GLN HG3 H 2.274 0.04 2 1088 99 99 GLN HE21 H 6.329 0.04 2 1089 99 99 GLN HE22 H 7.699 0.04 2 1090 99 99 GLN C C 175.432 0.40 1 1091 99 99 GLN CA C 58.174 0.40 1 1092 99 99 GLN CB C 29.745 0.40 1 1093 99 99 GLN CG C 33.997 0.40 1 1094 99 99 GLN N N 117.166 0.40 1 1095 99 99 GLN NE2 N 110.133 0.40 1 1096 100 100 HIS H H 7.450 0.04 1 1097 100 100 HIS HA H 4.567 0.04 1 1098 100 100 HIS HB2 H 3.538 0.04 2 1099 100 100 HIS HB3 H 3.194 0.04 2 1100 100 100 HIS C C 174.062 0.40 1 1101 100 100 HIS CA C 55.764 0.40 1 1102 100 100 HIS CB C 31.224 0.40 1 1103 100 100 HIS N N 115.776 0.40 1 1104 101 101 LEU H H 7.475 0.04 1 1105 101 101 LEU HA H 4.371 0.04 1 1106 101 101 LEU HB2 H 2.061 0.04 2 1107 101 101 LEU HB3 H 2.061 0.04 2 1108 101 101 LEU HD1 H 0.863 0.04 2 1109 101 101 LEU HD2 H 0.960 0.04 2 1110 101 101 LEU CA C 52.234 0.40 1 1111 101 101 LEU CB C 42.346 0.40 1 1112 101 101 LEU CD1 C 23.141 0.40 2 1113 101 101 LEU CD2 C 26.042 0.40 2 1114 101 101 LEU N N 116.926 0.40 1 1115 102 102 PRO HA H 4.813 0.04 1 1116 102 102 PRO HB2 H 2.227 0.04 2 1117 102 102 PRO HB3 H 1.777 0.04 2 1118 102 102 PRO HD2 H 3.542 0.04 2 1119 102 102 PRO HD3 H 3.151 0.04 2 1120 102 102 PRO C C 176.746 0.40 1 1121 102 102 PRO CA C 61.496 0.40 1 1122 102 102 PRO CB C 27.554 0.40 1 1123 102 102 PRO CD C 50.681 0.40 1 1124 103 103 LEU H H 7.649 0.04 1 1125 103 103 LEU HA H 4.707 0.04 1 1126 103 103 LEU HB2 H 1.607 0.04 2 1127 103 103 LEU HB3 H 1.607 0.04 2 1128 103 103 LEU HD1 H 0.064 0.04 2 1129 103 103 LEU HD2 H 0.890 0.04 2 1130 103 103 LEU C C 178.389 0.40 1 1131 103 103 LEU CA C 54.340 0.40 1 1132 103 103 LEU CB C 42.318 0.40 1 1133 103 103 LEU CD1 C 22.855 0.40 2 1134 103 103 LEU CD2 C 26.696 0.40 2 1135 103 103 LEU N N 122.774 0.40 1 1136 104 104 THR H H 10.157 0.04 1 1137 104 104 THR HA H 4.550 0.04 1 1138 104 104 THR HB H 4.527 0.04 1 1139 104 104 THR HG2 H 1.212 0.04 1 1140 104 104 THR C C 175.828 0.40 1 1141 104 104 THR CA C 59.366 0.40 1 1142 104 104 THR CB C 72.361 0.40 1 1143 104 104 THR CG2 C 21.377 0.40 1 1144 104 104 THR N N 116.966 0.40 1 1145 105 105 VAL H H 8.557 0.04 1 1146 105 105 VAL HA H 3.479 0.04 1 1147 105 105 VAL HB H 1.958 0.04 1 1148 105 105 VAL HG1 H 0.898 0.04 2 1149 105 105 VAL HG2 H 0.952 0.04 2 1150 105 105 VAL C C 175.746 0.40 1 1151 105 105 VAL CA C 65.733 0.40 1 1152 105 105 VAL CB C 31.224 0.40 1 1153 105 105 VAL CG1 C 20.513 0.40 2 1154 105 105 VAL CG2 C 22.828 0.40 2 1155 105 105 VAL N N 118.023 0.40 1 1156 106 106 ASP H H 7.258 0.04 1 1157 106 106 ASP HA H 4.164 0.04 1 1158 106 106 ASP HB2 H 2.294 0.04 2 1159 106 106 ASP HB3 H 2.013 0.04 2 1160 106 106 ASP C C 179.074 0.40 1 1161 106 106 ASP CA C 57.243 0.40 1 1162 106 106 ASP CB C 40.591 0.40 1 1163 106 106 ASP N N 117.701 0.40 1 1164 107 107 HIS H H 6.978 0.04 1 1165 107 107 HIS HA H 4.109 0.04 1 1166 107 107 HIS HB2 H 2.220 0.04 2 1167 107 107 HIS HB3 H 2.220 0.04 2 1168 107 107 HIS C C 178.663 0.40 1 1169 107 107 HIS CA C 59.434 0.40 1 1170 107 107 HIS CB C 31.881 0.40 1 1171 107 107 HIS N N 119.132 0.40 1 1172 108 108 LEU H H 7.742 0.04 1 1173 108 108 LEU HA H 3.847 0.04 1 1174 108 108 LEU HB2 H 1.610 0.04 2 1175 108 108 LEU HB3 H 1.020 0.04 2 1176 108 108 LEU HG H 1.240 0.04 1 1177 108 108 LEU HD1 H -0.453 0.04 2 1178 108 108 LEU HD2 H 0.332 0.04 2 1179 108 108 LEU C C 179.498 0.40 1 1180 108 108 LEU CA C 56.859 0.40 1 1181 108 108 LEU CB C 41.796 0.40 1 1182 108 108 LEU CG C 26.424 0.40 1 1183 108 108 LEU CD1 C 20.458 0.40 2 1184 108 108 LEU CD2 C 24.926 0.40 2 1185 108 108 LEU N N 116.399 0.40 1 1186 109 109 LYS H H 7.469 0.04 1 1187 109 109 LYS HA H 4.344 0.04 1 1188 109 109 LYS HB2 H 1.946 0.04 2 1189 109 109 LYS HB3 H 1.790 0.04 2 1190 109 109 LYS HG2 H 1.420 0.04 2 1191 109 109 LYS HG3 H 1.420 0.04 2 1192 109 109 LYS HD2 H 1.615 0.04 2 1193 109 109 LYS HD3 H 1.615 0.04 2 1194 109 109 LYS HE2 H 2.860 0.04 2 1195 109 109 LYS HE3 H 2.860 0.04 2 1196 109 109 LYS C C 177.663 0.40 1 1197 109 109 LYS CA C 57.133 0.40 1 1198 109 109 LYS CB C 33.141 0.40 1 1199 109 109 LYS CG C 25.007 0.40 1 1200 109 109 LYS CD C 29.529 0.40 1 1201 109 109 LYS CE C 41.951 0.40 1 1202 109 109 LYS N N 115.853 0.40 1 1203 110 110 GLN H H 7.703 0.04 1 1204 110 110 GLN HA H 4.125 0.04 1 1205 110 110 GLN HB2 H 2.236 0.04 2 1206 110 110 GLN HB3 H 2.298 0.04 2 1207 110 110 GLN HG2 H 2.687 0.04 2 1208 110 110 GLN HG3 H 2.621 0.04 2 1209 110 110 GLN HE21 H 6.751 0.04 2 1210 110 110 GLN HE22 H 7.235 0.04 2 1211 110 110 GLN C C 175.787 0.40 1 1212 110 110 GLN CA C 58.174 0.40 1 1213 110 110 GLN CB C 30.183 0.40 1 1214 110 110 GLN CG C 34.242 0.40 1 1215 110 110 GLN N N 117.596 0.40 1 1216 110 110 GLN NE2 N 109.693 0.40 1 1217 111 111 ASN H H 7.424 0.04 1 1218 111 111 ASN HA H 4.700 0.04 1 1219 111 111 ASN HB2 H 3.168 0.04 2 1220 111 111 ASN HB3 H 2.960 0.04 2 1221 111 111 ASN HD21 H 6.814 0.04 2 1222 111 111 ASN HD22 H 7.460 0.04 2 1223 111 111 ASN CA C 52.234 0.40 1 1224 111 111 ASN CB C 38.750 0.40 1 1225 111 111 ASN N N 111.282 0.40 1 1226 111 111 ASN ND2 N 111.011 0.40 1 1227 112 112 ASN HA H 4.891 0.04 1 1228 112 112 ASN HB2 H 3.190 0.04 2 1229 112 112 ASN HB3 H 2.825 0.04 2 1230 112 112 ASN HD21 H 6.940 0.04 2 1231 112 112 ASN HD22 H 7.469 0.04 2 1232 112 112 ASN C C 176.417 0.40 1 1233 112 112 ASN CA C 53.134 0.40 1 1234 112 112 ASN CB C 37.879 0.40 1 1235 112 112 ASN ND2 N 109.283 0.40 1 1236 113 113 THR H H 8.173 0.04 1 1237 113 113 THR HA H 3.563 0.04 1 1238 113 113 THR HB H 4.289 0.04 1 1239 113 113 THR HG2 H 1.203 0.04 1 1240 113 113 THR C C 175.198 0.40 1 1241 113 113 THR CA C 68.253 0.40 1 1242 113 113 THR CB C 67.801 0.40 1 1243 113 113 THR CG2 C 23.141 0.40 1 1244 113 113 THR N N 118.247 0.40 1 1245 114 114 ALA H H 8.896 0.04 1 1246 114 114 ALA HA H 4.324 0.04 1 1247 114 114 ALA HB H 1.432 0.04 1 1248 114 114 ALA C C 179.567 0.40 1 1249 114 114 ALA CA C 56.421 0.40 1 1250 114 114 ALA CB C 17.119 0.40 1 1251 114 114 ALA N N 121.626 0.40 1 1252 115 115 LYS H H 7.624 0.04 1 1253 115 115 LYS HA H 4.050 0.04 1 1254 115 115 LYS HB2 H 1.939 0.04 2 1255 115 115 LYS HB3 H 1.939 0.04 2 1256 115 115 LYS HG2 H 1.574 0.04 2 1257 115 115 LYS HG3 H 1.379 0.04 2 1258 115 115 LYS HD2 H 1.708 0.04 2 1259 115 115 LYS HD3 H 1.708 0.04 2 1260 115 115 LYS HE2 H 2.959 0.04 2 1261 115 115 LYS HE3 H 2.959 0.04 2 1262 115 115 LYS C C 179.193 0.40 1 1263 115 115 LYS CA C 59.598 0.40 1 1264 115 115 LYS CB C 32.484 0.40 1 1265 115 115 LYS CG C 25.089 0.40 1 1266 115 115 LYS CD C 29.638 0.40 1 1267 115 115 LYS CE C 42.278 0.40 1 1268 115 115 LYS N N 119.202 0.40 1 1269 116 116 LEU H H 8.311 0.04 1 1270 116 116 LEU HA H 4.086 0.04 1 1271 116 116 LEU HB2 H 2.087 0.04 2 1272 116 116 LEU HB3 H 2.087 0.04 2 1273 116 116 LEU HD1 H 0.818 0.04 2 1274 116 116 LEU HD2 H 0.791 0.04 2 1275 116 116 LEU C C 180.073 0.40 1 1276 116 116 LEU CA C 58.192 0.40 1 1277 116 116 LEU CB C 42.284 0.40 1 1278 116 116 LEU CD1 C 22.801 0.40 2 1279 116 116 LEU CD2 C 25.852 0.40 2 1280 116 116 LEU N N 120.842 0.40 1 1281 117 117 VAL H H 8.642 0.04 1 1282 117 117 VAL HA H 3.577 0.04 1 1283 117 117 VAL HB H 2.322 0.04 1 1284 117 117 VAL HG1 H 1.172 0.04 2 1285 117 117 VAL HG2 H 0.948 0.04 2 1286 117 117 VAL C C 177.880 0.40 1 1287 117 117 VAL CA C 67.585 0.40 1 1288 117 117 VAL CB C 31.881 0.40 1 1289 117 117 VAL CG1 C 24.136 0.40 2 1290 117 117 VAL CG2 C 23.291 0.40 2 1291 117 117 VAL N N 119.545 0.40 1 1292 118 118 LYS H H 8.291 0.04 1 1293 118 118 LYS HA H 3.942 0.04 1 1294 118 118 LYS HB2 H 2.158 0.04 2 1295 118 118 LYS HB3 H 2.027 0.04 2 1296 118 118 LYS HG2 H 1.502 0.04 2 1297 118 118 LYS HG3 H 1.449 0.04 2 1298 118 118 LYS HD2 H 1.714 0.04 2 1299 118 118 LYS HD3 H 1.714 0.04 2 1300 118 118 LYS HE2 H 2.951 0.04 2 1301 118 118 LYS HE3 H 2.951 0.04 2 1302 118 118 LYS C C 180.511 0.40 1 1303 118 118 LYS CA C 59.956 0.40 1 1304 118 118 LYS CB C 31.790 0.40 1 1305 118 118 LYS CG C 25.470 0.40 1 1306 118 118 LYS CD C 29.802 0.40 1 1307 118 118 LYS CE C 42.087 0.40 1 1308 118 118 LYS N N 121.179 0.40 1 1309 119 119 GLN H H 8.263 0.04 1 1310 119 119 GLN HA H 4.062 0.04 1 1311 119 119 GLN HB2 H 2.165 0.04 2 1312 119 119 GLN HB3 H 2.326 0.04 2 1313 119 119 GLN HG2 H 2.603 0.04 2 1314 119 119 GLN HG3 H 2.389 0.04 2 1315 119 119 GLN HE21 H 6.775 0.04 2 1316 119 119 GLN HE22 H 7.361 0.04 2 1317 119 119 GLN C C 179.690 0.40 1 1318 119 119 GLN CA C 59.708 0.40 1 1319 119 119 GLN CB C 27.992 0.40 1 1320 119 119 GLN CG C 33.969 0.40 1 1321 119 119 GLN N N 120.566 0.40 1 1322 119 119 GLN NE2 N 110.616 0.40 1 1323 120 120 LEU H H 8.154 0.04 1 1324 120 120 LEU HA H 4.089 0.04 1 1325 120 120 LEU HB2 H 2.083 0.04 2 1326 120 120 LEU HB3 H 2.083 0.04 2 1327 120 120 LEU HD1 H 0.917 0.04 2 1328 120 120 LEU HD2 H 0.890 0.04 2 1329 120 120 LEU C C 178.759 0.40 1 1330 120 120 LEU CA C 57.955 0.40 1 1331 120 120 LEU CB C 42.618 0.40 1 1332 120 120 LEU CD1 C 23.727 0.40 2 1333 120 120 LEU CD2 C 26.941 0.40 2 1334 120 120 LEU N N 121.097 0.40 1 1335 121 121 SER H H 8.065 0.04 1 1336 121 121 SER HA H 4.219 0.04 1 1337 121 121 SER HB2 H 3.995 0.04 2 1338 121 121 SER HB3 H 3.995 0.04 2 1339 121 121 SER C C 173.048 0.40 1 1340 121 121 SER CA C 61.515 0.40 1 1341 121 121 SER CB C 62.720 0.40 1 1342 121 121 SER N N 113.251 0.40 1 1343 122 122 LYS H H 7.160 0.04 1 1344 122 122 LYS HA H 4.500 0.04 1 1345 122 122 LYS HB2 H 1.911 0.04 2 1346 122 122 LYS HB3 H 1.822 0.04 2 1347 122 122 LYS HG2 H 1.512 0.04 2 1348 122 122 LYS HG3 H 1.445 0.04 2 1349 122 122 LYS HD2 H 1.640 0.04 2 1350 122 122 LYS HD3 H 1.640 0.04 2 1351 122 122 LYS HE2 H 2.944 0.04 2 1352 122 122 LYS HE3 H 2.944 0.04 2 1353 122 122 LYS C C 178.307 0.40 1 1354 122 122 LYS CA C 56.312 0.40 1 1355 122 122 LYS CB C 33.909 0.40 1 1356 122 122 LYS CG C 24.435 0.40 1 1357 122 122 LYS CD C 28.685 0.40 1 1358 122 122 LYS CE C 42.141 0.40 1 1359 122 122 LYS N N 117.708 0.40 1 1360 123 123 SER H H 8.090 0.04 1 1361 123 123 SER HA H 4.610 0.04 1 1362 123 123 SER HB2 H 3.906 0.04 2 1363 123 123 SER HB3 H 3.792 0.04 2 1364 123 123 SER C C 175.171 0.40 1 1365 123 123 SER CA C 59.188 0.40 1 1366 123 123 SER CB C 65.569 0.40 1 1367 123 123 SER N N 111.561 0.40 1 1368 124 124 SER H H 7.968 0.04 1 1369 124 124 SER HA H 4.293 0.04 1 1370 124 124 SER HB2 H 3.910 0.04 2 1371 124 124 SER HB3 H 3.667 0.04 2 1372 124 124 SER C C 175.883 0.40 1 1373 124 124 SER CA C 60.064 0.40 1 1374 124 124 SER CB C 63.651 0.40 1 1375 124 124 SER N N 116.732 0.40 1 1376 125 125 GLU H H 9.000 0.04 1 1377 125 125 GLU HA H 4.191 0.04 1 1378 125 125 GLU HB2 H 2.181 0.04 2 1379 125 125 GLU HB3 H 1.986 0.04 2 1380 125 125 GLU HG2 H 2.356 0.04 2 1381 125 125 GLU HG3 H 2.278 0.04 2 1382 125 125 GLU C C 175.650 0.40 1 1383 125 125 GLU CA C 57.517 0.40 1 1384 125 125 GLU CB C 29.636 0.40 1 1385 125 125 GLU CG C 36.394 0.40 1 1386 125 125 GLU N N 126.442 0.40 1 1387 126 126 ASP H H 7.942 0.04 1 1388 126 126 ASP HA H 4.707 0.04 1 1389 126 126 ASP HB2 H 2.744 0.04 2 1390 126 126 ASP HB3 H 2.396 0.04 2 1391 126 126 ASP C C 175.362 0.40 1 1392 126 126 ASP CA C 53.852 0.40 1 1393 126 126 ASP CB C 44.054 0.40 1 1394 126 126 ASP N N 121.361 0.40 1 1395 127 127 GLU H H 8.944 0.04 1 1396 127 127 GLU HA H 3.812 0.04 1 1397 127 127 GLU HB2 H 2.079 0.04 2 1398 127 127 GLU HB3 H 1.982 0.04 2 1399 127 127 GLU HG2 H 2.245 0.04 2 1400 127 127 GLU HG3 H 2.245 0.04 2 1401 127 127 GLU C C 178.197 0.40 1 1402 127 127 GLU CA C 59.927 0.40 1 1403 127 127 GLU CB C 30.019 0.40 1 1404 127 127 GLU CG C 36.067 0.40 1 1405 127 127 GLU N N 128.498 0.40 1 1406 128 128 GLU H H 8.160 0.04 1 1407 128 128 GLU HA H 4.017 0.04 1 1408 128 128 GLU HB2 H 2.111 0.04 2 1409 128 128 GLU HB3 H 2.017 0.04 2 1410 128 128 GLU HG2 H 2.319 0.04 2 1411 128 128 GLU HG3 H 2.253 0.04 2 1412 128 128 GLU C C 179.854 0.40 1 1413 128 128 GLU CA C 59.380 0.40 1 1414 128 128 GLU CB C 28.758 0.40 1 1415 128 128 GLU CG C 36.421 0.40 1 1416 128 128 GLU N N 119.097 0.40 1 1417 129 129 LEU H H 8.836 0.04 1 1418 129 129 LEU HA H 4.066 0.04 1 1419 129 129 LEU HB2 H 1.903 0.04 2 1420 129 129 LEU HB3 H 1.653 0.04 2 1421 129 129 LEU HD1 H 0.923 0.04 2 1422 129 129 LEU HD2 H 0.979 0.04 2 1423 129 129 LEU C C 178.608 0.40 1 1424 129 129 LEU CA C 57.955 0.40 1 1425 129 129 LEU CB C 41.577 0.40 1 1426 129 129 LEU CD1 C 25.252 0.40 2 1427 129 129 LEU CD2 C 26.206 0.40 2 1428 129 129 LEU N N 123.602 0.40 1 1429 130 130 ARG H H 8.332 0.04 1 1430 130 130 ARG HA H 3.773 0.04 1 1431 130 130 ARG HB2 H 1.935 0.04 2 1432 130 130 ARG HB3 H 1.853 0.04 2 1433 130 130 ARG HG2 H 1.871 0.04 2 1434 130 130 ARG HG3 H 1.581 0.04 2 1435 130 130 ARG HD2 H 3.326 0.04 2 1436 130 130 ARG HD3 H 3.135 0.04 2 1437 130 130 ARG C C 175.102 0.40 1 1438 130 130 ARG CA C 60.707 0.40 1 1439 130 130 ARG CB C 30.827 0.40 1 1440 130 130 ARG CG C 28.140 0.40 1 1441 130 130 ARG CD C 43.640 0.40 1 1442 130 130 ARG N N 118.115 0.40 1 1443 131 131 LYS H H 8.030 0.04 1 1444 131 131 LYS HA H 3.941 0.04 1 1445 131 131 LYS HB2 H 1.892 0.04 2 1446 131 131 LYS HB3 H 1.892 0.04 2 1447 131 131 LYS HG2 H 1.607 0.04 2 1448 131 131 LYS HG3 H 1.607 0.04 2 1449 131 131 LYS HD2 H 1.708 0.04 2 1450 131 131 LYS HD3 H 1.708 0.04 2 1451 131 131 LYS HE2 H 2.893 0.04 2 1452 131 131 LYS HE3 H 2.893 0.04 2 1453 131 131 LYS C C 178.868 0.40 1 1454 131 131 LYS CA C 59.817 0.40 1 1455 131 131 LYS CB C 32.484 0.40 1 1456 131 131 LYS CG C 25.116 0.40 1 1457 131 131 LYS CD C 29.584 0.40 1 1458 131 131 LYS CE C 41.978 0.40 1 1459 131 131 LYS N N 119.478 0.40 1 1460 132 132 LEU H H 7.843 0.04 1 1461 132 132 LEU HA H 4.089 0.04 1 1462 132 132 LEU HB2 H 1.774 0.04 2 1463 132 132 LEU HB3 H 1.649 0.04 2 1464 132 132 LEU HD1 H 0.812 0.04 2 1465 132 132 LEU HD2 H 0.892 0.04 2 1466 132 132 LEU C C 178.088 0.40 1 1467 132 132 LEU CA C 57.727 0.40 1 1468 132 132 LEU CB C 41.941 0.40 1 1469 132 132 LEU CD1 C 22.501 0.40 2 1470 132 132 LEU CD2 C 27.486 0.40 2 1471 132 132 LEU N N 121.574 0.40 1 1472 133 133 ALA H H 8.688 0.04 1 1473 133 133 ALA HA H 3.738 0.04 1 1474 133 133 ALA HB H 1.322 0.04 1 1475 133 133 ALA C C 178.581 0.40 1 1476 133 133 ALA CA C 55.271 0.40 1 1477 133 133 ALA CB C 17.860 0.40 1 1478 133 133 ALA N N 119.329 0.40 1 1479 134 134 SER H H 8.119 0.04 1 1480 134 134 SER HA H 4.140 0.04 1 1481 134 134 SER HB2 H 3.953 0.04 2 1482 134 134 SER HB3 H 3.953 0.04 2 1483 134 134 SER C C 176.718 0.40 1 1484 134 134 SER CA C 62.786 0.40 1 1485 134 134 SER CB C 62.941 0.40 1 1486 134 134 SER N N 112.174 0.40 1 1487 135 135 VAL H H 7.845 0.04 1 1488 135 135 VAL HA H 3.628 0.04 1 1489 135 135 VAL HB H 2.165 0.04 1 1490 135 135 VAL HG1 H 0.857 0.04 2 1491 135 135 VAL C C 177.499 0.40 1 1492 135 135 VAL CA C 66.281 0.40 1 1493 135 135 VAL CB C 31.498 0.40 1 1494 135 135 VAL CG1 C 21.057 0.40 2 1495 135 135 VAL N N 124.597 0.40 1 1496 136 136 LEU H H 7.653 0.04 1 1497 136 136 LEU HA H 3.581 0.04 1 1498 136 136 LEU HB2 H 1.164 0.04 2 1499 136 136 LEU HB3 H 0.468 0.04 2 1500 136 136 LEU HD1 H 0.501 0.04 2 1501 136 136 LEU HD2 H 0.639 0.04 2 1502 136 136 LEU C C 177.690 0.40 1 1503 136 136 LEU CA C 57.845 0.40 1 1504 136 136 LEU CB C 41.523 0.40 1 1505 136 136 LEU CD1 C 24.762 0.40 2 1506 136 136 LEU CD2 C 26.723 0.40 2 1507 136 136 LEU N N 121.361 0.40 1 1508 137 137 VAL H H 8.004 0.04 1 1509 137 137 VAL HA H 3.577 0.04 1 1510 137 137 VAL HB H 2.130 0.04 1 1511 137 137 VAL HG1 H 0.826 0.04 2 1512 137 137 VAL HG2 H 1.106 0.04 2 1513 137 137 VAL C C 178.304 0.40 1 1514 137 137 VAL CA C 66.774 0.40 1 1515 137 137 VAL CB C 31.717 0.40 1 1516 137 137 VAL CG1 C 22.692 0.40 2 1517 137 137 VAL CG2 C 23.373 0.40 2 1518 137 137 VAL N N 115.266 0.40 1 1519 138 138 SER H H 7.632 0.04 1 1520 138 138 SER HA H 4.215 0.04 1 1521 138 138 SER HB2 H 4.000 0.04 2 1522 138 138 SER HB3 H 4.000 0.04 2 1523 138 138 SER C C 177.636 0.40 1 1524 138 138 SER CA C 61.872 0.40 1 1525 138 138 SER CB C 62.926 0.40 1 1526 138 138 SER N N 114.765 0.40 1 1527 139 139 ASP H H 8.453 0.04 1 1528 139 139 ASP HA H 4.484 0.04 1 1529 139 139 ASP HB2 H 2.752 0.04 2 1530 139 139 ASP HB3 H 2.654 0.04 2 1531 139 139 ASP C C 179.895 0.40 1 1532 139 139 ASP CA C 57.633 0.40 1 1533 139 139 ASP CB C 39.989 0.40 1 1534 139 139 ASP N N 124.438 0.40 1 1535 140 140 TRP H H 8.933 0.04 1 1536 140 140 TRP HA H 4.723 0.04 1 1537 140 140 TRP HB2 H 3.495 0.04 2 1538 140 140 TRP HB3 H 3.002 0.04 2 1539 140 140 TRP HD1 H 7.036 0.04 1 1540 140 140 TRP HE1 H 10.619 0.04 1 1541 140 140 TRP HE3 H 7.300 0.04 1 1542 140 140 TRP HZ2 H 7.140 0.04 1 1543 140 140 TRP HZ3 H 6.734 0.04 1 1544 140 140 TRP HH2 H 6.894 0.04 1 1545 140 140 TRP C C 179.142 0.40 1 1546 140 140 TRP CA C 57.627 0.40 1 1547 140 140 TRP CB C 28.720 0.40 1 1548 140 140 TRP CD1 C 123.624 0.40 1 1549 140 140 TRP CE3 C 119.415 0.40 1 1550 140 140 TRP CZ2 C 114.200 0.40 1 1551 140 140 TRP CZ3 C 119.509 0.40 1 1552 140 140 TRP CH2 C 123.544 0.40 1 1553 140 140 TRP N N 121.746 0.40 1 1554 140 140 TRP NE1 N 128.302 0.40 1 1555 141 141 MET H H 8.826 0.04 1 1556 141 141 MET HA H 4.379 0.04 1 1557 141 141 MET HB2 H 2.118 0.04 2 1558 141 141 MET HB3 H 2.349 0.04 2 1559 141 141 MET HG2 H 2.864 0.04 2 1560 141 141 MET HG3 H 2.823 0.04 2 1561 141 141 MET HE H 2.101 0.04 1 1562 141 141 MET C C 178.731 0.40 1 1563 141 141 MET CA C 58.119 0.40 1 1564 141 141 MET CB C 31.498 0.40 1 1565 141 141 MET CG C 32.417 0.40 1 1566 141 141 MET CE C 16.971 0.40 1 1567 141 141 MET N N 119.188 0.40 1 1568 142 142 ALA H H 7.676 0.04 1 1569 142 142 ALA HA H 4.207 0.04 1 1570 142 142 ALA HB H 1.604 0.04 1 1571 142 142 ALA C C 180.333 0.40 1 1572 142 142 ALA CA C 54.997 0.40 1 1573 142 142 ALA CB C 17.969 0.40 1 1574 142 142 ALA N N 121.361 0.40 1 1575 143 143 VAL H H 7.746 0.04 1 1576 143 143 VAL HA H 3.765 0.04 1 1577 143 143 VAL HB H 2.345 0.04 1 1578 143 143 VAL HG1 H 0.861 0.04 2 1579 143 143 VAL HG2 H 1.186 0.04 2 1580 143 143 VAL C C 178.471 0.40 1 1581 143 143 VAL CA C 65.952 0.40 1 1582 143 143 VAL CB C 31.717 0.40 1 1583 143 143 VAL CG1 C 21.439 0.40 2 1584 143 143 VAL CG2 C 22.283 0.40 2 1585 143 143 VAL N N 119.670 0.40 1 1586 144 144 ILE H H 8.187 0.04 1 1587 144 144 ILE HA H 3.663 0.04 1 1588 144 144 ILE HB H 1.946 0.04 1 1589 144 144 ILE HG12 H 1.705 0.04 2 1590 144 144 ILE HG13 H 1.064 0.04 2 1591 144 144 ILE HG2 H 0.884 0.04 1 1592 144 144 ILE HD1 H 0.830 0.04 1 1593 144 144 ILE C C 178.279 0.40 1 1594 144 144 ILE CA C 64.671 0.40 1 1595 144 144 ILE CB C 38.374 0.40 1 1596 144 144 ILE CG1 C 29.424 0.40 1 1597 144 144 ILE CG2 C 17.298 0.40 1 1598 144 144 ILE CD1 C 13.403 0.40 1 1599 144 144 ILE N N 119.755 0.40 1 1600 145 145 ARG H H 8.184 0.04 1 1601 145 145 ARG HA H 4.203 0.04 1 1602 145 145 ARG HB2 H 1.935 0.04 2 1603 145 145 ARG HB3 H 1.935 0.04 2 1604 145 145 ARG HG2 H 1.767 0.04 2 1605 145 145 ARG HG3 H 1.672 0.04 2 1606 145 145 ARG HD2 H 3.203 0.04 2 1607 145 145 ARG HD3 H 3.203 0.04 2 1608 145 145 ARG C C 177.444 0.40 1 1609 145 145 ARG CA C 58.119 0.40 1 1610 145 145 ARG CB C 30.348 0.40 1 1611 145 145 ARG CG C 27.677 0.40 1 1612 145 145 ARG CD C 43.476 0.40 1 1613 145 145 ARG N N 119.105 0.40 1 1614 146 146 SER H H 7.853 0.04 1 1615 146 146 SER HA H 4.402 0.04 1 1616 146 146 SER HB2 H 4.009 0.04 2 1617 146 146 SER HB3 H 4.009 0.04 2 1618 146 146 SER C C 174.787 0.40 1 1619 146 146 SER CA C 59.762 0.40 1 1620 146 146 SER CB C 63.816 0.40 1 1621 146 146 SER N N 114.074 0.40 1 1622 147 147 GLN H H 7.847 0.04 1 1623 147 147 GLN HA H 4.465 0.04 1 1624 147 147 GLN HB2 H 2.275 0.04 2 1625 147 147 GLN HB3 H 1.935 0.04 2 1626 147 147 GLN HG2 H 2.438 0.04 2 1627 147 147 GLN HG3 H 2.409 0.04 2 1628 147 147 GLN HE21 H 6.829 0.04 2 1629 147 147 GLN HE22 H 7.525 0.04 2 1630 147 147 GLN C C 175.089 0.40 1 1631 147 147 GLN CA C 55.811 0.40 1 1632 147 147 GLN CB C 29.671 0.40 1 1633 147 147 GLN CG C 33.997 0.40 1 1634 147 147 GLN N N 120.762 0.40 1 1635 147 147 GLN NE2 N 112.418 0.40 1 1636 148 148 SER H H 7.749 0.04 1 1637 148 148 SER HA H 4.283 0.04 1 1638 148 148 SER HB2 H 3.847 0.04 2 1639 148 148 SER HB3 H 3.847 0.04 2 1640 148 148 SER CA C 60.542 0.40 1 1641 148 148 SER CB C 65.009 0.40 1 1642 148 148 SER N N 122.247 0.40 1 stop_ save_