data_36119 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the DISC1/Ndel1 complex ; _BMRB_accession_number 36119 _BMRB_flat_file_name bmr36119.str _Entry_type original _Submission_date 2017-10-02 _Accession_date 2017-10-20 _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 Ye F. . . 2 Yu C. . . 3 Yu C. . . 4 Zhang M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 750 "13C chemical shifts" 434 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-13 update BMRB 'update entry citation' 2018-02-06 original author 'original release' stop_ _Original_release_date 2017-10-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; DISC1 Regulates Neurogenesis via Modulating Kinetochore Attachment of Ndel1/Nde1 during Mitosis. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29103808 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Fei . . 2 Kang Eunchai . . 3 Yu Chuan . . 4 Qian Xuyu . . 5 Jacob Fadi . . 6 Yu Cong . . 7 Mao Mao . . 8 Poon Randy . . 9 Kim Jieun . . 10 Song Hongjun . . 11 Ming Guo-Li L. . 12 Zhang Mingjie . . stop_ _Journal_abbreviation Neuron _Journal_name_full Neuron _Journal_volume 96 _Journal_issue 5 _Journal_ISSN 1097-4199 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1041 _Page_last 1054 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DISC1_Ndel1 _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 'Disrupted in schizophrenia 1 homolog,Nuclear distribution protein nudE-like 1' _Molecular_mass 15455.417 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GSEFGPWKEDSHIVSAEVGE KCEAIGVKLLHLEDQLLGAM YSHDEALFQSLQGELQTVKE TLQAMILQLQPTKEAGEASA SYPTAGAQETEALVPRGSGF GTSPLTPSARISALNIVGDL LRKVGALESKLAACRNFAKD QASRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 GLU 4 4 PHE 5 5 GLY 6 6 PRO 7 7 TRP 8 8 LYS 9 9 GLU 10 10 ASP 11 11 SER 12 12 HIS 13 13 ILE 14 14 VAL 15 15 SER 16 16 ALA 17 17 GLU 18 18 VAL 19 19 GLY 20 20 GLU 21 21 LYS 22 22 CYS 23 23 GLU 24 24 ALA 25 25 ILE 26 26 GLY 27 27 VAL 28 28 LYS 29 29 LEU 30 30 LEU 31 31 HIS 32 32 LEU 33 33 GLU 34 34 ASP 35 35 GLN 36 36 LEU 37 37 LEU 38 38 GLY 39 39 ALA 40 40 MET 41 41 TYR 42 42 SER 43 43 HIS 44 44 ASP 45 45 GLU 46 46 ALA 47 47 LEU 48 48 PHE 49 49 GLN 50 50 SER 51 51 LEU 52 52 GLN 53 53 GLY 54 54 GLU 55 55 LEU 56 56 GLN 57 57 THR 58 58 VAL 59 59 LYS 60 60 GLU 61 61 THR 62 62 LEU 63 63 GLN 64 64 ALA 65 65 MET 66 66 ILE 67 67 LEU 68 68 GLN 69 69 LEU 70 70 GLN 71 71 PRO 72 72 THR 73 73 LYS 74 74 GLU 75 75 ALA 76 76 GLY 77 77 GLU 78 78 ALA 79 79 SER 80 80 ALA 81 81 SER 82 82 TYR 83 83 PRO 84 84 THR 85 85 ALA 86 86 GLY 87 87 ALA 88 88 GLN 89 89 GLU 90 90 THR 91 91 GLU 92 92 ALA 93 93 LEU 94 94 VAL 95 95 PRO 96 96 ARG 97 97 GLY 98 98 SER 99 99 GLY 100 100 PHE 101 101 GLY 102 102 THR 103 103 SER 104 104 PRO 105 105 LEU 106 106 THR 107 107 PRO 108 108 SER 109 109 ALA 110 110 ARG 111 111 ILE 112 112 SER 113 113 ALA 114 114 LEU 115 115 ASN 116 116 ILE 117 117 VAL 118 118 GLY 119 119 ASP 120 120 LEU 121 121 LEU 122 122 ARG 123 123 LYS 124 124 VAL 125 125 GLY 126 126 ALA 127 127 LEU 128 128 GLU 129 129 SER 130 130 LYS 131 131 LEU 132 132 ALA 133 133 ALA 134 134 CYS 135 135 ARG 136 136 ASN 137 137 PHE 138 138 ALA 139 139 LYS 140 140 ASP 141 141 GLN 142 142 ALA 143 143 SER 144 144 ARG 145 145 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 Mouse 10090 Eukaryota Metazoa Mus musculus 'Disc1, Ndel1, Nudel' 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-99% 13C; U-99% 15N] DISC1_Ndel1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' NaCl 50 mM 'natural abundance' D2O 100 % U-2H stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-99% 15N] DISC1_Ndel1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 15N]' NaCl 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-99% 13C; U-99% 15N] DISC1_Ndel1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-99% 13C; U-99% 15N]' NaCl 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solid _Details '0.8 mM no labelling DISC1_Ndel1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM 'natural abundance' NaCl 50 mM 'natural abundance' D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 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' 50 0.2 mM pH 6.5 . pH pressure 1 0.01 atm temperature 303 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 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-1H NOESY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_4 $sample_1 $sample_2 $sample_3 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 GLY H H 8.636 0.02 . 2 1 1 GLY HA2 H 3.963 0.02 . 3 1 1 GLY HA3 H 4.432 0.02 . 4 1 1 GLY CA C 45.630 0.30 . 5 1 1 GLY N N 110.605 0.30 . 6 2 2 SER H H 8.139 0.02 . 7 2 2 SER HA H 4.437 0.02 . 8 2 2 SER HB2 H 3.809 0.02 . 9 2 2 SER HB3 H 3.857 0.02 . 10 2 2 SER CA C 57.710 0.30 . 11 2 2 SER CB C 64.220 0.30 . 12 2 2 SER N N 115.810 0.30 . 13 3 3 GLU H H 8.621 0.02 . 14 3 3 GLU HA H 4.190 0.02 . 15 3 3 GLU HB2 H 1.840 0.02 . 16 3 3 GLU HB3 H 1.782 0.02 . 17 3 3 GLU HG2 H 2.064 0.02 . 18 3 3 GLU HG3 H 1.963 0.02 . 19 3 3 GLU CA C 56.645 0.30 . 20 3 3 GLU CB C 29.668 0.30 . 21 3 3 GLU CG C 35.840 0.30 . 22 3 3 GLU N N 123.132 0.30 . 23 4 4 PHE H H 8.144 0.02 . 24 4 4 PHE HA H 4.602 0.02 . 25 4 4 PHE HB2 H 2.967 0.02 . 26 4 4 PHE HB3 H 3.155 0.02 . 27 4 4 PHE CA C 57.720 0.30 . 28 4 4 PHE CB C 39.480 0.30 . 29 4 4 PHE N N 120.197 0.30 . 30 5 5 GLY H H 8.399 0.02 . 31 5 5 GLY HA2 H 3.956 0.02 . 32 5 5 GLY HA3 H 3.877 0.02 . 33 5 5 GLY CA C 45.069 0.30 . 34 5 5 GLY N N 110.795 0.30 . 35 6 6 PRO HA H 4.362 0.02 . 36 6 6 PRO HB2 H 1.721 0.02 . 37 6 6 PRO HB3 H 2.117 0.02 . 38 6 6 PRO HG2 H 1.875 0.02 . 39 6 6 PRO HG3 H 1.702 0.02 . 40 6 6 PRO HD2 H 3.399 0.02 . 41 6 6 PRO HD3 H 3.451 0.02 . 42 6 6 PRO CA C 63.200 0.30 . 43 6 6 PRO CB C 31.401 0.30 . 44 6 6 PRO CG C 26.820 0.30 . 45 6 6 PRO CD C 49.636 0.30 . 46 7 7 TRP H H 7.984 0.02 . 47 7 7 TRP HA H 4.612 0.02 . 48 7 7 TRP HB2 H 3.256 0.02 . 49 7 7 TRP HB3 H 3.222 0.02 . 50 7 7 TRP CA C 57.210 0.30 . 51 7 7 TRP CB C 28.960 0.30 . 52 7 7 TRP N N 120.906 0.30 . 53 8 8 LYS H H 7.850 0.02 . 54 8 8 LYS HA H 4.176 0.02 . 55 8 8 LYS HB2 H 1.573 0.02 . 56 8 8 LYS HB3 H 1.697 0.02 . 57 8 8 LYS HG2 H 1.238 0.02 . 58 8 8 LYS HG3 H 1.238 0.02 . 59 8 8 LYS HD2 H 1.569 0.02 . 60 8 8 LYS HD3 H 1.569 0.02 . 61 8 8 LYS HE2 H 2.889 0.02 . 62 8 8 LYS HE3 H 2.889 0.02 . 63 8 8 LYS CA C 55.944 0.30 . 64 8 8 LYS CB C 33.155 0.30 . 65 8 8 LYS CG C 24.370 0.30 . 66 8 8 LYS CD C 28.760 0.30 . 67 8 8 LYS CE C 41.645 0.30 . 68 8 8 LYS N N 123.338 0.30 . 69 9 9 GLU H H 8.192 0.02 . 70 9 9 GLU HA H 4.120 0.02 . 71 9 9 GLU HB2 H 1.863 0.02 . 72 9 9 GLU HB3 H 2.005 0.02 . 73 9 9 GLU HG2 H 2.203 0.02 . 74 9 9 GLU HG3 H 2.203 0.02 . 75 9 9 GLU CA C 56.536 0.30 . 76 9 9 GLU CB C 30.005 0.30 . 77 9 9 GLU CG C 33.547 0.30 . 78 9 9 GLU N N 121.950 0.30 . 79 10 10 ASP H H 8.303 0.02 . 80 10 10 ASP HA H 4.505 0.02 . 81 10 10 ASP HB2 H 2.664 0.02 . 82 10 10 ASP HB3 H 2.664 0.02 . 83 10 10 ASP CA C 54.974 0.30 . 84 10 10 ASP CB C 40.848 0.30 . 85 10 10 ASP N N 121.523 0.30 . 86 11 11 SER H H 8.203 0.02 . 87 11 11 SER HA H 4.284 0.02 . 88 11 11 SER HB2 H 3.792 0.02 . 89 11 11 SER HB3 H 3.828 0.02 . 90 11 11 SER CA C 59.000 0.30 . 91 11 11 SER CB C 63.800 0.30 . 92 11 11 SER N N 116.545 0.30 . 93 12 12 HIS HA H 4.589 0.02 . 94 12 12 HIS HB2 H 3.201 0.02 . 95 12 12 HIS HB3 H 3.144 0.02 . 96 12 12 HIS CA C 56.290 0.30 . 97 12 12 HIS CB C 29.291 0.30 . 98 13 13 ILE HA H 4.068 0.02 . 99 13 13 ILE HB H 1.827 0.02 . 100 13 13 ILE HG12 H 1.394 0.02 . 101 13 13 ILE HG13 H 1.094 0.02 . 102 13 13 ILE HG2 H 0.829 0.02 . 103 13 13 ILE HD1 H 0.800 0.02 . 104 13 13 ILE CA C 61.470 0.30 . 105 13 13 ILE CB C 38.341 0.30 . 106 13 13 ILE CG1 C 27.450 0.30 . 107 13 13 ILE CG2 C 17.400 0.30 . 108 13 13 ILE CD1 C 12.730 0.30 . 109 14 14 VAL HA H 4.042 0.02 . 110 14 14 VAL HB H 2.034 0.02 . 111 14 14 VAL HG1 H 0.919 0.02 . 112 14 14 VAL HG2 H 0.894 0.02 . 113 14 14 VAL CA C 62.640 0.30 . 114 14 14 VAL CB C 32.526 0.30 . 115 14 14 VAL CG1 C 20.980 0.30 . 116 14 14 VAL CG2 C 21.180 0.30 . 117 15 15 SER H H 8.230 0.02 . 118 15 15 SER HA H 4.225 0.02 . 119 15 15 SER HB2 H 3.820 0.02 . 120 15 15 SER HB3 H 3.962 0.02 . 121 15 15 SER CA C 59.270 0.30 . 122 15 15 SER CB C 63.140 0.30 . 123 15 15 SER N N 118.715 0.30 . 124 16 16 ALA H H 8.385 0.02 . 125 16 16 ALA HA H 4.210 0.02 . 126 16 16 ALA HB H 1.437 0.02 . 127 16 16 ALA CA C 54.011 0.30 . 128 16 16 ALA CB C 18.570 0.30 . 129 16 16 ALA N N 126.004 0.30 . 130 17 17 GLU H H 8.249 0.02 . 131 17 17 GLU HA H 4.201 0.02 . 132 17 17 GLU HB2 H 2.095 0.02 . 133 17 17 GLU HB3 H 2.024 0.02 . 134 17 17 GLU HG2 H 2.345 0.02 . 135 17 17 GLU HG3 H 2.243 0.02 . 136 17 17 GLU CA C 58.150 0.30 . 137 17 17 GLU CB C 29.315 0.30 . 138 17 17 GLU CG C 35.751 0.30 . 139 17 17 GLU N N 118.757 0.30 . 140 18 18 VAL H H 7.941 0.02 . 141 18 18 VAL HA H 3.722 0.02 . 142 18 18 VAL HB H 2.121 0.02 . 143 18 18 VAL HG1 H 0.880 0.02 . 144 18 18 VAL HG2 H 0.954 0.02 . 145 18 18 VAL CA C 65.760 0.30 . 146 18 18 VAL CB C 31.802 0.30 . 147 18 18 VAL CG1 C 21.330 0.30 . 148 18 18 VAL CG2 C 22.530 0.30 . 149 18 18 VAL N N 119.902 0.30 . 150 19 19 GLY H H 8.413 0.02 . 151 19 19 GLY HA2 H 3.660 0.02 . 152 19 19 GLY HA3 H 3.943 0.02 . 153 19 19 GLY CA C 47.401 0.30 . 154 19 19 GLY N N 109.012 0.30 . 155 20 20 GLU H H 7.719 0.02 . 156 20 20 GLU HA H 4.085 0.02 . 157 20 20 GLU HB2 H 2.083 0.02 . 158 20 20 GLU HB3 H 2.083 0.02 . 159 20 20 GLU HG2 H 2.391 0.02 . 160 20 20 GLU HG3 H 2.391 0.02 . 161 20 20 GLU CA C 59.450 0.30 . 162 20 20 GLU CB C 32.300 0.30 . 163 20 20 GLU CG C 36.403 0.30 . 164 20 20 GLU N N 122.147 0.30 . 165 21 21 LYS HA H 4.138 0.02 . 166 21 21 LYS HB2 H 1.440 0.02 . 167 21 21 LYS HB3 H 1.626 0.02 . 168 21 21 LYS HG2 H 1.838 0.02 . 169 21 21 LYS HG3 H 1.992 0.02 . 170 21 21 LYS HD2 H 1.660 0.02 . 171 21 21 LYS HD3 H 1.660 0.02 . 172 21 21 LYS HE2 H 2.929 0.02 . 173 21 21 LYS HE3 H 2.929 0.02 . 174 21 21 LYS CA C 59.460 0.30 . 175 21 21 LYS CB C 25.490 0.30 . 176 21 21 LYS CG C 32.531 0.30 . 177 21 21 LYS CD C 29.268 0.30 . 178 21 21 LYS CE C 41.622 0.30 . 179 22 22 CYS H H 8.413 0.02 . 180 22 22 CYS HA H 3.945 0.02 . 181 22 22 CYS HB2 H 2.597 0.02 . 182 22 22 CYS HB3 H 3.139 0.02 . 183 22 22 CYS CA C 64.760 0.30 . 184 22 22 CYS CB C 26.690 0.30 . 185 22 22 CYS N N 116.687 0.30 . 186 23 23 GLU H H 7.719 0.02 . 187 23 23 GLU HA H 4.055 0.02 . 188 23 23 GLU HB2 H 1.535 0.02 . 189 23 23 GLU HB3 H 2.109 0.02 . 190 23 23 GLU HG2 H 2.109 0.02 . 191 23 23 GLU HG3 H 2.109 0.02 . 192 23 23 GLU CA C 59.450 0.30 . 193 23 23 GLU CB C 32.300 0.30 . 194 23 23 GLU N N 122.147 0.30 . 195 24 24 ALA H H 7.751 0.02 . 196 24 24 ALA HA H 4.171 0.02 . 197 24 24 ALA HB H 1.545 0.02 . 198 24 24 ALA CA C 55.496 0.30 . 199 24 24 ALA CB C 17.880 0.30 . 200 24 24 ALA N N 121.599 0.30 . 201 25 25 ILE H H 8.289 0.02 . 202 25 25 ILE HA H 3.680 0.02 . 203 25 25 ILE HB H 1.921 0.02 . 204 25 25 ILE HG12 H 1.073 0.02 . 205 25 25 ILE HG13 H 1.919 0.02 . 206 25 25 ILE HG2 H 0.918 0.02 . 207 25 25 ILE HD1 H 0.815 0.02 . 208 25 25 ILE CA C 64.810 0.30 . 209 25 25 ILE CB C 37.482 0.30 . 210 25 25 ILE CG1 C 29.636 0.30 . 211 25 25 ILE CG2 C 18.920 0.30 . 212 25 25 ILE CD1 C 13.550 0.30 . 213 25 25 ILE N N 120.968 0.30 . 214 26 26 GLY H H 8.393 0.02 . 215 26 26 GLY HA2 H 3.643 0.02 . 216 26 26 GLY HA3 H 4.017 0.02 . 217 26 26 GLY CA C 47.467 0.30 . 218 26 26 GLY N N 108.773 0.30 . 219 27 27 VAL H H 7.713 0.02 . 220 27 27 VAL HA H 3.666 0.02 . 221 27 27 VAL HB H 2.126 0.02 . 222 27 27 VAL HG1 H 1.084 0.02 . 223 27 27 VAL HG2 H 0.911 0.02 . 224 27 27 VAL CA C 66.340 0.30 . 225 27 27 VAL CB C 31.753 0.30 . 226 27 27 VAL CG1 C 22.670 0.30 . 227 27 27 VAL CG2 C 21.300 0.30 . 228 27 27 VAL N N 121.988 0.30 . 229 28 28 LYS H H 7.820 0.02 . 230 28 28 LYS HA H 4.174 0.02 . 231 28 28 LYS HB2 H 1.986 0.02 . 232 28 28 LYS HB3 H 2.110 0.02 . 233 28 28 LYS HG2 H 1.421 0.02 . 234 28 28 LYS HG3 H 1.499 0.02 . 235 28 28 LYS HD2 H 1.700 0.02 . 236 28 28 LYS HD3 H 1.700 0.02 . 237 28 28 LYS HE2 H 2.841 0.02 . 238 28 28 LYS HE3 H 2.938 0.02 . 239 28 28 LYS CA C 59.020 0.30 . 240 28 28 LYS CB C 31.619 0.30 . 241 28 28 LYS CG C 24.710 0.30 . 242 28 28 LYS CD C 28.770 0.30 . 243 28 28 LYS CE C 41.578 0.30 . 244 28 28 LYS N N 122.221 0.30 . 245 29 29 LEU H H 8.744 0.02 . 246 29 29 LEU HA H 4.006 0.02 . 247 29 29 LEU HB2 H 1.377 0.02 . 248 29 29 LEU HB3 H 2.019 0.02 . 249 29 29 LEU HG H 1.919 0.02 . 250 29 29 LEU HD1 H 0.866 0.02 . 251 29 29 LEU HD2 H 0.810 0.02 . 252 29 29 LEU CA C 57.950 0.30 . 253 29 29 LEU CB C 41.405 0.30 . 254 29 29 LEU CG C 26.800 0.30 . 255 29 29 LEU CD1 C 26.800 0.30 . 256 29 29 LEU CD2 C 23.710 0.30 . 257 29 29 LEU N N 118.234 0.30 . 258 30 30 LEU H H 7.712 0.02 . 259 30 30 LEU HA H 4.209 0.02 . 260 30 30 LEU HB2 H 1.902 0.02 . 261 30 30 LEU HB3 H 1.666 0.02 . 262 30 30 LEU HG H 1.795 0.02 . 263 30 30 LEU HD1 H 0.870 0.02 . 264 30 30 LEU HD2 H 0.909 0.02 . 265 30 30 LEU CA C 58.405 0.30 . 266 30 30 LEU CB C 41.326 0.30 . 267 30 30 LEU CG C 26.640 0.30 . 268 30 30 LEU CD1 C 23.260 0.30 . 269 30 30 LEU CD2 C 25.040 0.30 . 270 30 30 LEU N N 121.273 0.30 . 271 31 31 HIS H H 7.836 0.02 . 272 31 31 HIS HA H 4.579 0.02 . 273 31 31 HIS HB2 H 3.358 0.02 . 274 31 31 HIS HB3 H 3.358 0.02 . 275 31 31 HIS CA C 58.290 0.30 . 276 31 31 HIS CB C 28.740 0.30 . 277 31 31 HIS N N 118.711 0.30 . 278 32 32 LEU H H 8.732 0.02 . 279 32 32 LEU HA H 4.025 0.02 . 280 32 32 LEU HB2 H 2.015 0.02 . 281 32 32 LEU HB3 H 1.344 0.02 . 282 32 32 LEU HG H 1.975 0.02 . 283 32 32 LEU HD1 H 0.875 0.02 . 284 32 32 LEU HD2 H 0.882 0.02 . 285 32 32 LEU CA C 58.050 0.30 . 286 32 32 LEU CB C 41.868 0.30 . 287 32 32 LEU CG C 27.030 0.30 . 288 32 32 LEU CD1 C 23.140 0.30 . 289 32 32 LEU CD2 C 24.200 0.30 . 290 32 32 LEU N N 121.210 0.30 . 291 33 33 GLU H H 8.284 0.02 . 292 33 33 GLU HA H 3.817 0.02 . 293 33 33 GLU HB2 H 2.143 0.02 . 294 33 33 GLU HB3 H 2.331 0.02 . 295 33 33 GLU HG2 H 2.255 0.02 . 296 33 33 GLU HG3 H 2.333 0.02 . 297 33 33 GLU CA C 60.320 0.30 . 298 33 33 GLU CB C 33.750 0.30 . 299 33 33 GLU CG C 36.336 0.30 . 300 33 33 GLU N N 119.983 0.30 . 301 34 34 ASP H H 7.705 0.02 . 302 34 34 ASP HA H 4.453 0.02 . 303 34 34 ASP HB2 H 2.739 0.02 . 304 34 34 ASP HB3 H 2.874 0.02 . 305 34 34 ASP CA C 57.350 0.30 . 306 34 34 ASP CB C 41.434 0.30 . 307 34 34 ASP N N 119.180 0.30 . 308 35 35 GLN H H 8.169 0.02 . 309 35 35 GLN HA H 4.046 0.02 . 310 35 35 GLN HB2 H 2.045 0.02 . 311 35 35 GLN HB3 H 2.215 0.02 . 312 35 35 GLN HG2 H 2.158 0.02 . 313 35 35 GLN HG3 H 2.342 0.02 . 314 35 35 GLN CA C 58.876 0.30 . 315 35 35 GLN CB C 29.897 0.30 . 316 35 35 GLN CG C 34.648 0.30 . 317 35 35 GLN N N 119.445 0.30 . 318 36 36 LEU H H 8.547 0.02 . 319 36 36 LEU HA H 3.902 0.02 . 320 36 36 LEU HB2 H 1.754 0.02 . 321 36 36 LEU HB3 H 1.840 0.02 . 322 36 36 LEU HG H 1.674 0.02 . 323 36 36 LEU HD1 H 0.830 0.02 . 324 36 36 LEU HD2 H 0.923 0.02 . 325 36 36 LEU CA C 57.900 0.30 . 326 36 36 LEU CB C 41.597 0.30 . 327 36 36 LEU CG C 27.270 0.30 . 328 36 36 LEU CD1 C 26.120 0.30 . 329 36 36 LEU CD2 C 25.530 0.30 . 330 36 36 LEU N N 122.009 0.30 . 331 37 37 LEU H H 8.035 0.02 . 332 37 37 LEU HA H 4.015 0.02 . 333 37 37 LEU HB2 H 1.572 0.02 . 334 37 37 LEU HB3 H 1.881 0.02 . 335 37 37 LEU HG H 1.826 0.02 . 336 37 37 LEU HD1 H 0.886 0.02 . 337 37 37 LEU HD2 H 0.948 0.02 . 338 37 37 LEU CA C 57.940 0.30 . 339 37 37 LEU CB C 40.955 0.30 . 340 37 37 LEU CG C 27.150 0.30 . 341 37 37 LEU CD1 C 23.250 0.30 . 342 37 37 LEU CD2 C 24.950 0.30 . 343 37 37 LEU N N 119.269 0.30 . 344 38 38 GLY H H 7.803 0.02 . 345 38 38 GLY HA2 H 3.912 0.02 . 346 38 38 GLY HA3 H 4.009 0.02 . 347 38 38 GLY CA C 47.037 0.30 . 348 38 38 GLY N N 105.157 0.30 . 349 39 39 ALA H H 7.986 0.02 . 350 39 39 ALA HA H 4.263 0.02 . 351 39 39 ALA HB H 1.292 0.02 . 352 39 39 ALA CA C 53.148 0.30 . 353 39 39 ALA CB C 18.570 0.30 . 354 39 39 ALA N N 124.207 0.30 . 355 40 40 MET H H 7.849 0.02 . 356 40 40 MET HA H 4.133 0.02 . 357 40 40 MET HB2 H 1.960 0.02 . 358 40 40 MET HB3 H 2.070 0.02 . 359 40 40 MET HG2 H 2.398 0.02 . 360 40 40 MET HG3 H 2.333 0.02 . 361 40 40 MET HE H 1.881 0.02 . 362 40 40 MET CA C 58.992 0.30 . 363 40 40 MET CB C 32.600 0.30 . 364 40 40 MET CG C 31.619 0.30 . 365 40 40 MET CE C 16.850 0.30 . 366 40 40 MET N N 118.362 0.30 . 367 41 41 TYR H H 8.044 0.02 . 368 41 41 TYR HA H 4.475 0.02 . 369 41 41 TYR HB2 H 2.962 0.02 . 370 41 41 TYR HB3 H 3.243 0.02 . 371 41 41 TYR CA C 58.800 0.30 . 372 41 41 TYR CB C 37.644 0.30 . 373 41 41 TYR N N 117.488 0.30 . 374 42 42 SER H H 7.923 0.02 . 375 42 42 SER HA H 4.344 0.02 . 376 42 42 SER HB2 H 3.982 0.02 . 377 42 42 SER HB3 H 3.928 0.02 . 378 42 42 SER CA C 58.590 0.30 . 379 42 42 SER CB C 64.060 0.30 . 380 42 42 SER N N 113.648 0.30 . 381 43 43 HIS H H 8.280 0.02 . 382 43 43 HIS HA H 4.366 0.02 . 383 43 43 HIS HB2 H 3.403 0.02 . 384 43 43 HIS HB3 H 3.403 0.02 . 385 43 43 HIS CA C 55.726 0.30 . 386 43 43 HIS CB C 27.270 0.30 . 387 43 43 HIS N N 118.752 0.30 . 388 44 44 ASP H H 7.593 0.02 . 389 44 44 ASP HA H 4.627 0.02 . 390 44 44 ASP HB2 H 2.353 0.02 . 391 44 44 ASP HB3 H 2.747 0.02 . 392 44 44 ASP CA C 52.765 0.30 . 393 44 44 ASP CB C 40.558 0.30 . 394 44 44 ASP N N 119.833 0.30 . 395 45 45 GLU H H 8.345 0.02 . 396 45 45 GLU HA H 4.124 0.02 . 397 45 45 GLU HB2 H 2.080 0.02 . 398 45 45 GLU HB3 H 2.080 0.02 . 399 45 45 GLU HG2 H 2.367 0.02 . 400 45 45 GLU HG3 H 2.367 0.02 . 401 45 45 GLU CA C 58.810 0.30 . 402 45 45 GLU CB C 29.672 0.30 . 403 45 45 GLU CG C 36.009 0.30 . 404 45 45 GLU N N 125.761 0.30 . 405 46 46 ALA H H 8.219 0.02 . 406 46 46 ALA HA H 4.163 0.02 . 407 46 46 ALA HB H 1.459 0.02 . 408 46 46 ALA CA C 54.834 0.30 . 409 46 46 ALA CB C 17.660 0.30 . 410 46 46 ALA N N 122.172 0.30 . 411 47 47 LEU H H 7.555 0.02 . 412 47 47 LEU HA H 4.184 0.02 . 413 47 47 LEU HB2 H 1.468 0.02 . 414 47 47 LEU HB3 H 1.562 0.02 . 415 47 47 LEU HG H 1.386 0.02 . 416 47 47 LEU HD1 H 0.881 0.02 . 417 47 47 LEU HD2 H 0.815 0.02 . 418 47 47 LEU CA C 56.419 0.30 . 419 47 47 LEU CB C 40.970 0.30 . 420 47 47 LEU CG C 27.120 0.30 . 421 47 47 LEU CD1 C 23.140 0.30 . 422 47 47 LEU CD2 C 25.310 0.30 . 423 47 47 LEU N N 122.020 0.30 . 424 48 48 PHE H H 8.002 0.02 . 425 48 48 PHE HA H 4.208 0.02 . 426 48 48 PHE HB2 H 3.045 0.02 . 427 48 48 PHE HB3 H 3.164 0.02 . 428 48 48 PHE CA C 60.530 0.30 . 429 48 48 PHE CB C 37.731 0.30 . 430 48 48 PHE N N 118.384 0.30 . 431 49 49 GLN H H 8.344 0.02 . 432 49 49 GLN HA H 4.067 0.02 . 433 49 49 GLN HB2 H 2.172 0.02 . 434 49 49 GLN HB3 H 2.248 0.02 . 435 49 49 GLN HG2 H 2.464 0.02 . 436 49 49 GLN HG3 H 2.563 0.02 . 437 49 49 GLN CA C 58.800 0.30 . 438 49 49 GLN CB C 28.180 0.30 . 439 49 49 GLN CG C 33.576 0.30 . 440 49 49 GLN N N 117.765 0.30 . 441 50 50 SER H H 8.096 0.02 . 442 50 50 SER HA H 4.288 0.02 . 443 50 50 SER HB2 H 4.065 0.02 . 444 50 50 SER HB3 H 4.045 0.02 . 445 50 50 SER CA C 61.390 0.30 . 446 50 50 SER CB C 63.120 0.30 . 447 50 50 SER N N 117.559 0.30 . 448 51 51 LEU H H 8.585 0.02 . 449 51 51 LEU HA H 4.058 0.02 . 450 51 51 LEU HB2 H 1.269 0.02 . 451 51 51 LEU HB3 H 2.031 0.02 . 452 51 51 LEU HG H 1.918 0.02 . 453 51 51 LEU HD1 H 0.747 0.02 . 454 51 51 LEU HD2 H 0.842 0.02 . 455 51 51 LEU CA C 58.150 0.30 . 456 51 51 LEU CB C 42.016 0.30 . 457 51 51 LEU CG C 26.670 0.30 . 458 51 51 LEU CD1 C 26.280 0.30 . 459 51 51 LEU CD2 C 23.140 0.30 . 460 51 51 LEU N N 123.307 0.30 . 461 52 52 GLN H H 8.165 0.02 . 462 52 52 GLN HA H 3.818 0.02 . 463 52 52 GLN HB2 H 2.194 0.02 . 464 52 52 GLN HB3 H 2.239 0.02 . 465 52 52 GLN HG2 H 2.331 0.02 . 466 52 52 GLN HG3 H 2.270 0.02 . 467 52 52 GLN CA C 59.380 0.30 . 468 52 52 GLN CB C 28.360 0.30 . 469 52 52 GLN CG C 33.749 0.30 . 470 52 52 GLN N N 122.246 0.30 . 471 53 53 GLY H H 7.961 0.02 . 472 53 53 GLY HA2 H 4.022 0.02 . 473 53 53 GLY HA3 H 3.903 0.02 . 474 53 53 GLY CA C 46.880 0.30 . 475 53 53 GLY N N 106.936 0.30 . 476 54 54 GLU H H 7.995 0.02 . 477 54 54 GLU HA H 4.187 0.02 . 478 54 54 GLU HB2 H 2.086 0.02 . 479 54 54 GLU HB3 H 2.086 0.02 . 480 54 54 GLU HG2 H 2.273 0.02 . 481 54 54 GLU HG3 H 2.398 0.02 . 482 54 54 GLU CA C 59.390 0.30 . 483 54 54 GLU CB C 29.661 0.30 . 484 54 54 GLU CG C 36.185 0.30 . 485 54 54 GLU N N 122.840 0.30 . 486 55 55 LEU H H 8.458 0.02 . 487 55 55 LEU HA H 3.899 0.02 . 488 55 55 LEU HB2 H 1.756 0.02 . 489 55 55 LEU HB3 H 1.756 0.02 . 490 55 55 LEU HG H 1.812 0.02 . 491 55 55 LEU HD1 H 0.898 0.02 . 492 55 55 LEU HD2 H 0.845 0.02 . 493 55 55 LEU CA C 57.800 0.30 . 494 55 55 LEU CB C 41.597 0.30 . 495 55 55 LEU CG C 26.810 0.30 . 496 55 55 LEU CD2 C 23.040 0.30 . 497 55 55 LEU N N 120.546 0.30 . 498 56 56 GLN H H 8.087 0.02 . 499 56 56 GLN HA H 3.984 0.02 . 500 56 56 GLN HB2 H 2.303 0.02 . 501 56 56 GLN HB3 H 2.191 0.02 . 502 56 56 GLN HG2 H 2.474 0.02 . 503 56 56 GLN HG3 H 2.399 0.02 . 504 56 56 GLN CA C 58.570 0.30 . 505 56 56 GLN CB C 27.210 0.30 . 506 56 56 GLN CG C 32.726 0.30 . 507 56 56 GLN N N 119.401 0.30 . 508 57 57 THR H H 7.980 0.02 . 509 57 57 THR HA H 4.049 0.02 . 510 57 57 THR HB H 4.322 0.02 . 511 57 57 THR HG2 H 1.257 0.02 . 512 57 57 THR CA C 66.440 0.30 . 513 57 57 THR CB C 68.340 0.30 . 514 57 57 THR CG2 C 21.610 0.30 . 515 57 57 THR N N 116.512 0.30 . 516 58 58 VAL H H 8.568 0.02 . 517 58 58 VAL HA H 3.648 0.02 . 518 58 58 VAL HB H 2.266 0.02 . 519 58 58 VAL HG1 H 1.060 0.02 . 520 58 58 VAL HG2 H 0.923 0.02 . 521 58 58 VAL CA C 66.840 0.30 . 522 58 58 VAL CB C 31.167 0.30 . 523 58 58 VAL CG1 C 22.790 0.30 . 524 58 58 VAL CG2 C 23.050 0.30 . 525 58 58 VAL N N 121.841 0.30 . 526 59 59 LYS H H 8.396 0.02 . 527 59 59 LYS HA H 3.706 0.02 . 528 59 59 LYS HB2 H 1.694 0.02 . 529 59 59 LYS HB3 H 1.562 0.02 . 530 59 59 LYS HG2 H 1.244 0.02 . 531 59 59 LYS HG3 H 1.331 0.02 . 532 59 59 LYS HD2 H 1.832 0.02 . 533 59 59 LYS HD3 H 1.699 0.02 . 534 59 59 LYS HE2 H 2.826 0.02 . 535 59 59 LYS HE3 H 2.826 0.02 . 536 59 59 LYS CA C 60.760 0.30 . 537 59 59 LYS CB C 29.661 0.30 . 538 59 59 LYS CG C 24.850 0.30 . 539 59 59 LYS CD C 28.360 0.30 . 540 59 59 LYS CE C 41.233 0.30 . 541 59 59 LYS N N 117.765 0.30 . 542 60 60 GLU H H 7.988 0.02 . 543 60 60 GLU HA H 4.055 0.02 . 544 60 60 GLU HB2 H 2.076 0.02 . 545 60 60 GLU HB3 H 2.215 0.02 . 546 60 60 GLU HG2 H 2.305 0.02 . 547 60 60 GLU HG3 H 2.605 0.02 . 548 60 60 GLU CA C 59.350 0.30 . 549 60 60 GLU CB C 28.980 0.30 . 550 60 60 GLU CG C 36.632 0.30 . 551 60 60 GLU N N 123.528 0.30 . 552 61 61 THR H H 8.143 0.02 . 553 61 61 THR HA H 3.978 0.02 . 554 61 61 THR HB H 4.477 0.02 . 555 61 61 THR HG2 H 1.247 0.02 . 556 61 61 THR CA C 66.750 0.30 . 557 61 61 THR CB C 68.390 0.30 . 558 61 61 THR CG2 C 21.400 0.30 . 559 61 61 THR N N 119.439 0.30 . 560 62 62 LEU H H 8.282 0.02 . 561 62 62 LEU HA H 4.110 0.02 . 562 62 62 LEU HB2 H 1.890 0.02 . 563 62 62 LEU HB3 H 2.150 0.02 . 564 62 62 LEU HG H 1.099 0.02 . 565 62 62 LEU HD1 H 0.932 0.02 . 566 62 62 LEU HD2 H 0.800 0.02 . 567 62 62 LEU CA C 57.710 0.30 . 568 62 62 LEU CB C 42.415 0.30 . 569 62 62 LEU CG C 24.220 0.30 . 570 62 62 LEU CD2 C 27.420 0.30 . 571 62 62 LEU N N 122.778 0.30 . 572 63 63 GLN H H 8.712 0.02 . 573 63 63 GLN HA H 3.915 0.02 . 574 63 63 GLN HB2 H 2.010 0.02 . 575 63 63 GLN HB3 H 2.232 0.02 . 576 63 63 GLN HG2 H 2.343 0.02 . 577 63 63 GLN HG3 H 2.626 0.02 . 578 63 63 GLN CA C 59.350 0.30 . 579 63 63 GLN CB C 27.920 0.30 . 580 63 63 GLN CG C 34.446 0.30 . 581 63 63 GLN N N 117.753 0.30 . 582 64 64 ALA H H 7.874 0.02 . 583 64 64 ALA HA H 4.297 0.02 . 584 64 64 ALA HB H 1.546 0.02 . 585 64 64 ALA CA C 54.926 0.30 . 586 64 64 ALA CB C 17.580 0.30 . 587 64 64 ALA N N 121.748 0.30 . 588 65 65 MET H H 7.814 0.02 . 589 65 65 MET HA H 4.066 0.02 . 590 65 65 MET HB2 H 2.456 0.02 . 591 65 65 MET HB3 H 1.986 0.02 . 592 65 65 MET HG2 H 2.399 0.02 . 593 65 65 MET HG3 H 2.913 0.02 . 594 65 65 MET HE H 1.984 0.02 . 595 65 65 MET CA C 59.460 0.30 . 596 65 65 MET CB C 33.576 0.30 . 597 65 65 MET CG C 32.531 0.30 . 598 65 65 MET CE C 17.660 0.30 . 599 65 65 MET N N 119.058 0.30 . 600 66 66 ILE H H 7.865 0.02 . 601 66 66 ILE HA H 3.546 0.02 . 602 66 66 ILE HB H 2.059 0.02 . 603 66 66 ILE HG12 H 1.658 0.02 . 604 66 66 ILE HG13 H 1.211 0.02 . 605 66 66 ILE HG2 H 0.859 0.02 . 606 66 66 ILE HD1 H 0.751 0.02 . 607 66 66 ILE CA C 64.720 0.30 . 608 66 66 ILE CB C 36.835 0.30 . 609 66 66 ILE CG1 C 28.970 0.30 . 610 66 66 ILE CG2 C 17.030 0.30 . 611 66 66 ILE CD1 C 12.500 0.30 . 612 66 66 ILE N N 118.988 0.30 . 613 67 67 LEU H H 7.199 0.02 . 614 67 67 LEU HA H 4.083 0.02 . 615 67 67 LEU HB2 H 1.616 0.02 . 616 67 67 LEU HB3 H 1.840 0.02 . 617 67 67 LEU HG H 1.757 0.02 . 618 67 67 LEU HD1 H 0.921 0.02 . 619 67 67 LEU HD2 H 0.873 0.02 . 620 67 67 LEU CA C 57.450 0.30 . 621 67 67 LEU CB C 41.477 0.30 . 622 67 67 LEU CG C 26.890 0.30 . 623 67 67 LEU CD1 C 24.950 0.30 . 624 67 67 LEU CD2 C 23.140 0.30 . 625 67 67 LEU N N 118.164 0.30 . 626 68 68 GLN H H 7.602 0.02 . 627 68 68 GLN HA H 4.123 0.02 . 628 68 68 GLN HB2 H 2.130 0.02 . 629 68 68 GLN HB3 H 2.160 0.02 . 630 68 68 GLN HG2 H 2.483 0.02 . 631 68 68 GLN HG3 H 2.346 0.02 . 632 68 68 GLN CA C 57.480 0.30 . 633 68 68 GLN CB C 28.970 0.30 . 634 68 68 GLN CG C 33.835 0.30 . 635 68 68 GLN N N 117.287 0.30 . 636 69 69 LEU H H 7.620 0.02 . 637 69 69 LEU HA H 4.259 0.02 . 638 69 69 LEU HB2 H 1.538 0.02 . 639 69 69 LEU HB3 H 1.833 0.02 . 640 69 69 LEU HG H 0.984 0.02 . 641 69 69 LEU HD1 H 0.717 0.02 . 642 69 69 LEU HD2 H 0.883 0.02 . 643 69 69 LEU CA C 54.965 0.30 . 644 69 69 LEU CB C 43.362 0.30 . 645 69 69 LEU CG C 26.810 0.30 . 646 69 69 LEU CD1 C 25.730 0.30 . 647 69 69 LEU CD2 C 21.400 0.30 . 648 69 69 LEU N N 118.359 0.30 . 649 70 70 GLN H H 7.628 0.02 . 650 70 70 GLN HA H 4.424 0.02 . 651 70 70 GLN HB2 H 1.981 0.02 . 652 70 70 GLN HB3 H 2.140 0.02 . 653 70 70 GLN HG2 H 2.392 0.02 . 654 70 70 GLN HG3 H 2.564 0.02 . 655 70 70 GLN CA C 54.067 0.30 . 656 70 70 GLN CB C 28.330 0.30 . 657 70 70 GLN CG C 33.563 0.30 . 658 70 70 GLN N N 119.182 0.30 . 659 71 71 PRO HA H 4.466 0.02 . 660 71 71 PRO HB2 H 1.916 0.02 . 661 71 71 PRO HB3 H 2.216 0.02 . 662 71 71 PRO HG2 H 1.912 0.02 . 663 71 71 PRO HG3 H 1.998 0.02 . 664 71 71 PRO HD2 H 3.631 0.02 . 665 71 71 PRO HD3 H 3.631 0.02 . 666 71 71 PRO CA C 63.140 0.30 . 667 71 71 PRO CB C 32.054 0.30 . 668 71 71 PRO CG C 27.230 0.30 . 669 71 71 PRO CD C 50.249 0.30 . 670 72 72 THR H H 8.117 0.02 . 671 72 72 THR HA H 4.319 0.02 . 672 72 72 THR HB H 4.221 0.02 . 673 72 72 THR HG2 H 1.215 0.02 . 674 72 72 THR CA C 61.440 0.02 . 675 72 72 THR CB C 69.660 0.30 . 676 72 72 THR CG2 C 21.600 0.30 . 677 72 72 THR N N 114.437 0.30 . 678 73 73 LYS H H 8.367 0.02 . 679 73 73 LYS HA H 4.283 0.02 . 680 73 73 LYS HB2 H 1.735 0.02 . 681 73 73 LYS HB3 H 1.798 0.02 . 682 73 73 LYS HG2 H 1.382 0.02 . 683 73 73 LYS HG3 H 1.417 0.02 . 684 73 73 LYS HD2 H 1.649 0.02 . 685 73 73 LYS HD3 H 1.649 0.02 . 686 73 73 LYS HE2 H 2.953 0.02 . 687 73 73 LYS HE3 H 2.953 0.02 . 688 73 73 LYS CA C 56.193 0.30 . 689 73 73 LYS CB C 32.923 0.30 . 690 73 73 LYS CG C 26.200 0.30 . 691 73 73 LYS CD C 28.870 0.30 . 692 73 73 LYS CE C 45.540 0.30 . 693 73 73 LYS N N 123.735 0.30 . 694 74 74 GLU H H 8.468 0.02 . 695 74 74 GLU HA H 4.235 0.02 . 696 74 74 GLU HB2 H 1.923 0.02 . 697 74 74 GLU HB3 H 2.042 0.02 . 698 74 74 GLU HG2 H 2.251 0.02 . 699 74 74 GLU HG3 H 2.251 0.02 . 700 74 74 GLU CA C 56.455 0.30 . 701 74 74 GLU CB C 30.345 0.30 . 702 74 74 GLU CG C 36.175 0.30 . 703 74 74 GLU N N 122.172 0.30 . 704 75 75 ALA H H 8.317 0.02 . 705 75 75 ALA HA H 4.289 0.02 . 706 75 75 ALA HB H 1.382 0.02 . 707 75 75 ALA CA C 52.501 0.30 . 708 75 75 ALA CB C 19.020 0.30 . 709 75 75 ALA N N 125.151 0.30 . 710 76 76 GLY H H 8.280 0.02 . 711 76 76 GLY HA2 H 3.924 0.02 . 712 76 76 GLY HA3 H 4.282 0.02 . 713 76 76 GLY CA C 45.048 0.30 . 714 76 76 GLY N N 108.147 0.30 . 715 77 77 GLU H H 8.197 0.02 . 716 77 77 GLU HA H 4.235 0.02 . 717 77 77 GLU HB2 H 1.923 0.02 . 718 77 77 GLU HB3 H 2.042 0.02 . 719 77 77 GLU HG2 H 2.251 0.02 . 720 77 77 GLU HG3 H 2.251 0.02 . 721 77 77 GLU CA C 56.410 0.30 . 722 77 77 GLU CB C 30.047 0.30 . 723 77 77 GLU CG C 36.182 0.30 . 724 77 77 GLU N N 120.976 0.30 . 725 78 78 ALA H H 8.352 0.02 . 726 78 78 ALA HA H 4.277 0.02 . 727 78 78 ALA HB H 1.388 0.02 . 728 78 78 ALA CA C 53.125 0.30 . 729 78 78 ALA CB C 19.020 0.30 . 730 78 78 ALA N N 125.256 0.30 . 731 79 79 SER H H 8.157 0.02 . 732 79 79 SER HA H 4.283 0.02 . 733 79 79 SER HB2 H 3.822 0.02 . 734 79 79 SER HB3 H 3.822 0.02 . 735 79 79 SER CA C 58.150 0.30 . 736 79 79 SER CB C 63.330 0.30 . 737 79 79 SER N N 114.855 0.30 . 738 80 80 ALA H H 8.225 0.02 . 739 80 80 ALA HA H 4.366 0.02 . 740 80 80 ALA HB H 1.383 0.02 . 741 80 80 ALA CA C 52.267 0.30 . 742 80 80 ALA CB C 19.220 0.30 . 743 80 80 ALA N N 125.959 0.30 . 744 81 81 SER H H 8.198 0.02 . 745 81 81 SER HA H 4.314 0.02 . 746 81 81 SER HB2 H 3.827 0.02 . 747 81 81 SER HB3 H 4.396 0.02 . 748 81 81 SER CA C 58.180 0.30 . 749 81 81 SER CB C 63.800 0.30 . 750 81 81 SER N N 115.025 0.30 . 751 82 82 TYR HA H 4.327 0.02 . 752 82 82 TYR HB2 H 2.640 0.02 . 753 82 82 TYR HB3 H 3.238 0.02 . 754 82 82 TYR CA C 62.280 0.30 . 755 82 82 TYR CB C 43.105 0.30 . 756 83 83 PRO HA H 4.327 0.02 . 757 83 83 PRO HB2 H 1.951 0.02 . 758 83 83 PRO HB3 H 2.282 0.02 . 759 83 83 PRO HG2 H 1.616 0.02 . 760 83 83 PRO HG3 H 1.803 0.02 . 761 83 83 PRO HD2 H 3.378 0.02 . 762 83 83 PRO HD3 H 3.378 0.02 . 763 83 83 PRO CA C 62.280 0.30 . 764 83 83 PRO CB C 34.640 0.30 . 765 83 83 PRO CG C 24.580 0.30 . 766 83 83 PRO CD C 50.103 0.30 . 767 84 84 THR H H 8.280 0.02 . 768 84 84 THR HA H 4.270 0.02 . 769 84 84 THR HB H 4.217 0.02 . 770 84 84 THR HG2 H 1.182 0.02 . 771 84 84 THR CA C 62.050 0.30 . 772 84 84 THR CB C 69.460 0.30 . 773 84 84 THR CG2 C 21.400 0.30 . 774 84 84 THR N N 116.415 0.30 . 775 85 85 ALA H H 8.370 0.02 . 776 85 85 ALA HA H 4.265 0.02 . 777 85 85 ALA HB H 1.345 0.02 . 778 85 85 ALA CA C 52.530 0.30 . 779 85 85 ALA CB C 18.790 0.30 . 780 85 85 ALA N N 126.760 0.30 . 781 86 86 GLY H H 8.372 0.02 . 782 86 86 GLY HA2 H 3.633 0.02 . 783 86 86 GLY HA3 H 4.001 0.02 . 784 86 86 GLY CA C 45.043 0.30 . 785 86 86 GLY N N 108.855 0.30 . 786 87 87 ALA H H 8.103 0.02 . 787 87 87 ALA HA H 4.264 0.02 . 788 87 87 ALA HB H 1.349 0.02 . 789 87 87 ALA CA C 52.501 0.30 . 790 87 87 ALA CB C 19.050 0.30 . 791 87 87 ALA N N 123.953 0.30 . 792 88 88 GLN H H 8.382 0.02 . 793 88 88 GLN HA H 4.283 0.02 . 794 88 88 GLN HB2 H 1.962 0.02 . 795 88 88 GLN HB3 H 2.097 0.02 . 796 88 88 GLN HG2 H 2.340 0.02 . 797 88 88 GLN HG3 H 2.340 0.02 . 798 88 88 GLN CA C 55.884 0.30 . 799 88 88 GLN CB C 28.970 0.30 . 800 88 88 GLN CG C 33.732 0.30 . 801 88 88 GLN N N 119.441 0.30 . 802 89 89 GLU H H 8.477 0.02 . 803 89 89 GLU HA H 4.298 0.02 . 804 89 89 GLU HB2 H 1.960 0.02 . 805 89 89 GLU HB3 H 2.069 0.02 . 806 89 89 GLU HG2 H 2.258 0.02 . 807 89 89 GLU HG3 H 2.258 0.02 . 808 89 89 GLU CA C 56.832 0.30 . 809 89 89 GLU CB C 29.661 0.30 . 810 89 89 GLU CG C 35.968 0.30 . 811 89 89 GLU N N 122.216 0.30 . 812 90 90 THR H H 8.071 0.02 . 813 90 90 THR HA H 4.233 0.02 . 814 90 90 THR HB H 4.320 0.02 . 815 90 90 THR HG2 H 1.161 0.02 . 816 90 90 THR CA C 69.460 0.30 . 817 90 90 THR CB C 61.400 0.30 . 818 90 90 THR CG2 C 21.470 0.30 . 819 90 90 THR N N 114.559 0.30 . 820 91 91 GLU H H 8.327 0.02 . 821 91 91 GLU HA H 4.242 0.02 . 822 91 91 GLU HB2 H 1.926 0.02 . 823 91 91 GLU HB3 H 2.033 0.02 . 824 91 91 GLU HG2 H 2.234 0.02 . 825 91 91 GLU HG3 H 2.234 0.02 . 826 91 91 GLU CA C 56.410 0.30 . 827 91 91 GLU CB C 29.661 0.30 . 828 91 91 GLU CG C 35.968 0.30 . 829 91 91 GLU N N 123.210 0.30 . 830 92 92 ALA H H 8.134 0.02 . 831 92 92 ALA HA H 4.264 0.02 . 832 92 92 ALA HB H 1.349 0.02 . 833 92 92 ALA CA C 52.278 0.30 . 834 92 92 ALA CB C 19.050 0.30 . 835 92 92 ALA N N 124.394 0.30 . 836 93 93 LEU H H 7.929 0.02 . 837 93 93 LEU HA H 4.302 0.02 . 838 93 93 LEU HB2 H 1.551 0.02 . 839 93 93 LEU HB3 H 1.631 0.02 . 840 93 93 LEU HG H 1.635 0.02 . 841 93 93 LEU HD1 H 0.824 0.02 . 842 93 93 LEU HD2 H 0.887 0.02 . 843 93 93 LEU CA C 55.105 0.30 . 844 93 93 LEU CB C 42.190 0.30 . 845 93 93 LEU CG C 27.730 0.30 . 846 93 93 LEU CD1 C 23.140 0.30 . 847 93 93 LEU CD2 C 24.910 0.30 . 848 93 93 LEU N N 121.612 0.30 . 849 94 94 VAL H H 7.725 0.02 . 850 94 94 VAL HA H 4.373 0.02 . 851 94 94 VAL HB H 2.032 0.02 . 852 94 94 VAL HG1 H 0.909 0.02 . 853 94 94 VAL HG2 H 0.886 0.02 . 854 94 94 VAL CA C 59.300 0.30 . 855 94 94 VAL CB C 32.573 0.30 . 856 94 94 VAL CG1 C 20.980 0.30 . 857 94 94 VAL CG2 C 20.280 0.30 . 858 94 94 VAL N N 119.331 0.30 . 859 95 95 PRO HA H 4.346 0.02 . 860 95 95 PRO HB2 H 1.824 0.02 . 861 95 95 PRO HB3 H 2.211 0.02 . 862 95 95 PRO HG2 H 1.912 0.02 . 863 95 95 PRO HG3 H 1.995 0.02 . 864 95 95 PRO HD2 H 3.603 0.02 . 865 95 95 PRO HD3 H 3.813 0.02 . 866 95 95 PRO CA C 62.950 0.30 . 867 95 95 PRO CB C 31.883 0.30 . 868 95 95 PRO CG C 27.330 0.30 . 869 95 95 PRO CD C 50.835 0.30 . 870 96 96 ARG H H 8.412 0.02 . 871 96 96 ARG HA H 4.287 0.02 . 872 96 96 ARG HB2 H 1.740 0.02 . 873 96 96 ARG HB3 H 1.807 0.02 . 874 96 96 ARG HG2 H 1.601 0.02 . 875 96 96 ARG HG3 H 1.649 0.02 . 876 96 96 ARG HD2 H 3.136 0.02 . 877 96 96 ARG HD3 H 3.136 0.02 . 878 96 96 ARG CA C 55.987 0.30 . 879 96 96 ARG CB C 30.813 0.30 . 880 96 96 ARG CG C 26.950 0.30 . 881 96 96 ARG CD C 43.100 0.30 . 882 96 96 ARG N N 122.078 0.30 . 883 97 97 GLY H H 8.431 0.02 . 884 97 97 GLY HA2 H 3.962 0.02 . 885 97 97 GLY HA3 H 4.285 0.02 . 886 97 97 GLY CA C 45.049 0.30 . 887 97 97 GLY N N 110.450 0.30 . 888 98 98 SER H H 8.338 0.02 . 889 98 98 SER HA H 4.302 0.02 . 890 98 98 SER HB2 H 3.965 0.02 . 891 98 98 SER HB3 H 3.965 0.02 . 892 98 98 SER CA C 58.800 0.02 . 893 98 98 SER CB C 64.180 0.02 . 894 98 98 SER N N 115.925 0.30 . 895 100 100 PHE H H 8.202 0.02 . 896 100 100 PHE HA H 4.655 0.02 . 897 100 100 PHE HB2 H 2.930 0.02 . 898 100 100 PHE HB3 H 3.186 0.02 . 899 100 100 PHE CA C 57.220 0.30 . 900 100 100 PHE CB C 39.650 0.30 . 901 100 100 PHE N N 120.254 0.30 . 902 101 101 GLY H H 7.946 0.02 . 903 101 101 GLY HA2 H 3.877 0.02 . 904 101 101 GLY HA3 H 3.950 0.02 . 905 101 101 GLY CA C 44.449 0.30 . 906 101 101 GLY N N 110.201 0.30 . 907 102 102 THR H H 8.020 0.02 . 908 102 102 THR HA H 4.374 0.02 . 909 102 102 THR HB H 4.234 0.02 . 910 102 102 THR HG2 H 1.160 0.02 . 911 102 102 THR CA C 61.400 0.30 . 912 102 102 THR CB C 69.460 0.30 . 913 102 102 THR CG2 C 21.470 0.30 . 914 102 102 THR N N 113.083 0.30 . 915 103 103 SER H H 8.314 0.02 . 916 103 103 SER HA H 4.771 0.02 . 917 103 103 SER HB2 H 3.841 0.02 . 918 103 103 SER HB3 H 3.841 0.02 . 919 103 103 SER CA C 56.307 0.30 . 920 103 103 SER CB C 63.340 0.30 . 921 103 103 SER N N 119.538 0.30 . 922 104 104 PRO HA H 4.466 0.02 . 923 104 104 PRO HB2 H 1.910 0.02 . 924 104 104 PRO HB3 H 2.225 0.02 . 925 104 104 PRO HG2 H 1.959 0.02 . 926 104 104 PRO HG3 H 1.959 0.02 . 927 104 104 PRO HD2 H 3.790 0.02 . 928 104 104 PRO HD3 H 3.693 0.02 . 929 104 104 PRO CA C 63.140 0.30 . 930 104 104 PRO CB C 31.902 0.30 . 931 104 104 PRO CG C 27.200 0.30 . 932 104 104 PRO CD C 50.665 0.30 . 933 105 105 LEU H H 8.159 0.02 . 934 105 105 LEU HA H 4.416 0.02 . 935 105 105 LEU HB2 H 1.540 0.02 . 936 105 105 LEU HB3 H 1.540 0.02 . 937 105 105 LEU HG H 1.615 0.02 . 938 105 105 LEU HD1 H 0.808 0.02 . 939 105 105 LEU HD2 H 0.829 0.02 . 940 105 105 LEU CA C 54.630 0.30 . 941 105 105 LEU CB C 42.698 0.30 . 942 105 105 LEU CG C 27.000 0.30 . 943 105 105 LEU CD1 C 23.780 0.30 . 944 105 105 LEU CD2 C 25.240 0.30 . 945 105 105 LEU N N 121.823 0.30 . 946 106 106 THR H H 7.999 0.02 . 947 106 106 THR HA H 4.559 0.02 . 948 106 106 THR HB H 4.433 0.02 . 949 106 106 THR HG2 H 1.310 0.02 . 950 106 106 THR CA C 59.840 0.30 . 951 106 106 THR CB C 68.810 0.30 . 952 106 106 THR CG2 C 21.760 0.30 . 953 106 106 THR N N 116.431 0.30 . 954 107 107 PRO HA H 4.306 0.02 . 955 107 107 PRO HB2 H 1.966 0.02 . 956 107 107 PRO HB3 H 2.344 0.02 . 957 107 107 PRO HG2 H 2.013 0.02 . 958 107 107 PRO HG3 H 2.141 0.02 . 959 107 107 PRO HD2 H 3.870 0.02 . 960 107 107 PRO HD3 H 3.801 0.02 . 961 107 107 PRO CA C 64.940 0.30 . 962 107 107 PRO CB C 31.836 0.30 . 963 107 107 PRO CG C 27.710 0.30 . 964 107 107 PRO CD C 50.427 0.30 . 965 108 108 SER H H 8.262 0.02 . 966 108 108 SER HA H 4.433 0.02 . 967 108 108 SER HB2 H 4.210 0.02 . 968 108 108 SER HB3 H 4.210 0.02 . 969 108 108 SER CA C 60.238 0.30 . 970 108 108 SER CB C 63.246 0.30 . 971 108 108 SER N N 113.110 0.30 . 972 109 109 ALA H H 8.128 0.02 . 973 109 109 ALA HA H 4.203 0.02 . 974 109 109 ALA HB H 1.483 0.02 . 975 109 109 ALA CA C 54.751 0.30 . 976 109 109 ALA CB C 18.920 0.30 . 977 109 109 ALA N N 126.965 0.30 . 978 110 110 ARG H H 8.395 0.02 . 979 110 110 ARG HA H 3.916 0.02 . 980 110 110 ARG HB2 H 1.802 0.02 . 981 110 110 ARG HB3 H 1.901 0.02 . 982 110 110 ARG HG2 H 1.519 0.02 . 983 110 110 ARG HG3 H 1.621 0.02 . 984 110 110 ARG HD2 H 3.213 0.02 . 985 110 110 ARG HD3 H 3.213 0.02 . 986 110 110 ARG CA C 59.450 0.30 . 987 110 110 ARG CB C 30.096 0.30 . 988 110 110 ARG CG C 27.700 0.30 . 989 110 110 ARG CD C 43.032 0.30 . 990 110 110 ARG N N 120.092 0.30 . 991 111 111 ILE H H 7.779 0.02 . 992 111 111 ILE HA H 3.941 0.02 . 993 111 111 ILE HB H 1.919 0.02 . 994 111 111 ILE HG12 H 1.268 0.02 . 995 111 111 ILE HG13 H 1.610 0.02 . 996 111 111 ILE HG2 H 0.914 0.02 . 997 111 111 ILE HD1 H 0.827 0.02 . 998 111 111 ILE CA C 64.810 0.30 . 999 111 111 ILE CB C 37.482 0.30 . 1000 111 111 ILE CG1 C 28.820 0.30 . 1001 111 111 ILE CG2 C 17.280 0.30 . 1002 111 111 ILE CD1 C 12.200 0.30 . 1003 111 111 ILE N N 119.257 0.30 . 1004 112 112 SER H H 8.030 0.02 . 1005 112 112 SER HA H 4.261 0.02 . 1006 112 112 SER HB2 H 3.908 0.02 . 1007 112 112 SER HB3 H 3.908 0.02 . 1008 112 112 SER CA C 61.210 0.30 . 1009 112 112 SER CB C 62.710 0.30 . 1010 112 112 SER N N 116.112 0.30 . 1011 113 113 ALA H H 8.295 0.02 . 1012 113 113 ALA HA H 4.077 0.02 . 1013 113 113 ALA HB H 1.468 0.02 . 1014 113 113 ALA CA C 54.885 0.30 . 1015 113 113 ALA CB C 18.840 0.30 . 1016 113 113 ALA N N 126.544 0.30 . 1017 114 114 LEU H H 8.396 0.02 . 1018 114 114 LEU HA H 3.838 0.02 . 1019 114 114 LEU HB2 H 1.570 0.02 . 1020 114 114 LEU HB3 H 1.878 0.02 . 1021 114 114 LEU HG H 1.676 0.02 . 1022 114 114 LEU HD1 H 0.882 0.02 . 1023 114 114 LEU HD2 H 0.871 0.02 . 1024 114 114 LEU CA C 57.900 0.30 . 1025 114 114 LEU CB C 41.646 0.30 . 1026 114 114 LEU CG C 27.490 0.30 . 1027 114 114 LEU CD1 C 23.350 0.30 . 1028 114 114 LEU CD2 C 23.950 0.30 . 1029 114 114 LEU N N 118.707 0.30 . 1030 115 115 ASN HA H 4.514 0.02 . 1031 115 115 ASN HB2 H 2.899 0.02 . 1032 115 115 ASN HB3 H 2.989 0.02 . 1033 115 115 ASN CA C 55.730 0.30 . 1034 115 115 ASN CB C 37.692 0.30 . 1035 116 116 ILE H H 7.814 0.02 . 1036 116 116 ILE HA H 3.879 0.02 . 1037 116 116 ILE HB H 2.012 0.02 . 1038 116 116 ILE HG12 H 1.161 0.02 . 1039 116 116 ILE HG13 H 1.758 0.02 . 1040 116 116 ILE HG2 H 0.951 0.02 . 1041 116 116 ILE HD1 H 0.820 0.02 . 1042 116 116 ILE CA C 64.850 0.30 . 1043 116 116 ILE CB C 37.939 0.30 . 1044 116 116 ILE CG1 C 28.570 0.30 . 1045 116 116 ILE CG2 C 17.650 0.30 . 1046 116 116 ILE CD1 C 13.090 0.30 . 1047 116 116 ILE N N 122.612 0.30 . 1048 117 117 VAL H H 8.402 0.02 . 1049 117 117 VAL HA H 3.560 0.02 . 1050 117 117 VAL HB H 2.018 0.02 . 1051 117 117 VAL HG1 H 0.989 0.02 . 1052 117 117 VAL HG2 H 0.989 0.02 . 1053 117 117 VAL CA C 67.070 0.30 . 1054 117 117 VAL CB C 31.717 0.30 . 1055 117 117 VAL CG1 C 23.900 0.30 . 1056 117 117 VAL CG2 C 23.340 0.30 . 1057 117 117 VAL N N 120.992 0.30 . 1058 118 118 GLY H H 8.452 0.02 . 1059 118 118 GLY HA2 H 3.767 0.02 . 1060 118 118 GLY HA3 H 4.011 0.02 . 1061 118 118 GLY CA C 47.037 0.30 . 1062 118 118 GLY N N 106.671 0.30 . 1063 119 119 ASP H H 8.050 0.02 . 1064 119 119 ASP HA H 4.480 0.02 . 1065 119 119 ASP HB2 H 2.729 0.02 . 1066 119 119 ASP HB3 H 2.892 0.02 . 1067 119 119 ASP CA C 57.400 0.30 . 1068 119 119 ASP CB C 40.970 0.30 . 1069 119 119 ASP N N 123.915 0.30 . 1070 120 120 LEU H H 8.396 0.02 . 1071 120 120 LEU HA H 4.091 0.02 . 1072 120 120 LEU HB2 H 1.984 0.02 . 1073 120 120 LEU HB3 H 1.984 0.02 . 1074 120 120 LEU HD1 H 0.915 0.02 . 1075 120 120 LEU CA C 57.900 0.30 . 1076 120 120 LEU CB C 41.646 0.30 . 1077 120 120 LEU CD1 C 26.340 0.30 . 1078 120 120 LEU N N 118.707 0.30 . 1079 121 121 LEU H H 8.646 0.02 . 1080 121 121 LEU HA H 4.002 0.02 . 1081 121 121 LEU HB2 H 1.672 0.02 . 1082 121 121 LEU HB3 H 1.900 0.02 . 1083 121 121 LEU HG H 1.909 0.02 . 1084 121 121 LEU HD1 H 0.949 0.02 . 1085 121 121 LEU HD2 H 1.046 0.02 . 1086 121 121 LEU CA C 57.950 0.30 . 1087 121 121 LEU CB C 41.575 0.30 . 1088 121 121 LEU CG C 27.000 0.30 . 1089 121 121 LEU CD1 C 25.090 0.30 . 1090 121 121 LEU CD2 C 24.930 0.30 . 1091 121 121 LEU N N 121.199 0.30 . 1092 122 122 ARG H H 8.127 0.02 . 1093 122 122 ARG HA H 4.141 0.02 . 1094 122 122 ARG HB2 H 1.598 0.02 . 1095 122 122 ARG HB3 H 1.882 0.02 . 1096 122 122 ARG HG2 H 1.997 0.02 . 1097 122 122 ARG HG3 H 2.089 0.02 . 1098 122 122 ARG HD2 H 3.232 0.02 . 1099 122 122 ARG HD3 H 3.290 0.02 . 1100 122 122 ARG CA C 59.690 0.30 . 1101 122 122 ARG CB C 28.200 0.30 . 1102 122 122 ARG CG C 29.527 0.30 . 1103 122 122 ARG CD C 43.058 0.30 . 1104 122 122 ARG N N 122.515 0.30 . 1105 123 123 LYS H H 7.905 0.02 . 1106 123 123 LYS HA H 3.970 0.02 . 1107 123 123 LYS HB2 H 1.440 0.02 . 1108 123 123 LYS HB3 H 1.626 0.02 . 1109 123 123 LYS HG2 H 1.838 0.02 . 1110 123 123 LYS HG3 H 1.992 0.02 . 1111 123 123 LYS HD2 H 1.660 0.02 . 1112 123 123 LYS HD3 H 1.660 0.02 . 1113 123 123 LYS HE2 H 2.929 0.02 . 1114 123 123 LYS HE3 H 2.929 0.02 . 1115 123 123 LYS CA C 59.460 0.30 . 1116 123 123 LYS CB C 25.490 0.30 . 1117 123 123 LYS CG C 32.531 0.30 . 1118 123 123 LYS CD C 29.268 0.30 . 1119 123 123 LYS CE C 41.622 0.30 . 1120 123 123 LYS N N 122.849 0.30 . 1121 124 124 VAL H H 8.495 0.02 . 1122 124 124 VAL HA H 3.538 0.02 . 1123 124 124 VAL HB H 2.397 0.02 . 1124 124 124 VAL HG1 H 1.047 0.02 . 1125 124 124 VAL HG2 H 0.899 0.02 . 1126 124 124 VAL CA C 67.010 0.30 . 1127 124 124 VAL CB C 31.184 0.30 . 1128 124 124 VAL CG1 C 24.940 0.30 . 1129 124 124 VAL CG2 C 21.530 0.30 . 1130 124 124 VAL N N 121.044 0.30 . 1131 125 125 GLY H H 8.016 0.02 . 1132 125 125 GLY HA2 H 3.880 0.02 . 1133 125 125 GLY HA3 H 4.071 0.02 . 1134 125 125 GLY CA C 46.962 0.30 . 1135 125 125 GLY N N 106.699 0.30 . 1136 126 126 ALA H H 8.026 0.02 . 1137 126 126 ALA HA H 4.158 0.02 . 1138 126 126 ALA HB H 1.539 0.02 . 1139 126 126 ALA CA C 54.926 0.30 . 1140 126 126 ALA CB C 17.850 0.30 . 1141 126 126 ALA N N 125.544 0.30 . 1142 127 127 LEU H H 8.177 0.02 . 1143 127 127 LEU HA H 4.128 0.02 . 1144 127 127 LEU HB2 H 2.011 0.02 . 1145 127 127 LEU HB3 H 1.514 0.02 . 1146 127 127 LEU HG H 1.858 0.02 . 1147 127 127 LEU HD1 H 0.869 0.02 . 1148 127 127 LEU HD2 H 0.946 0.02 . 1149 127 127 LEU CA C 57.710 0.30 . 1150 127 127 LEU CB C 41.476 0.30 . 1151 127 127 LEU CG C 27.050 0.30 . 1152 127 127 LEU CD1 C 23.940 0.30 . 1153 127 127 LEU CD2 C 25.730 0.30 . 1154 127 127 LEU N N 121.296 0.30 . 1155 128 128 GLU H H 8.975 0.02 . 1156 128 128 GLU HA H 3.812 0.02 . 1157 128 128 GLU HB2 H 2.018 0.02 . 1158 128 128 GLU HB3 H 2.397 0.02 . 1159 128 128 GLU HG2 H 2.107 0.02 . 1160 128 128 GLU HG3 H 2.595 0.02 . 1161 128 128 GLU CA C 60.320 0.30 . 1162 128 128 GLU CB C 29.878 0.30 . 1163 128 128 GLU CG C 37.925 0.30 . 1164 128 128 GLU N N 120.360 0.30 . 1165 129 129 SER H H 7.995 0.02 . 1166 129 129 SER HA H 4.290 0.02 . 1167 129 129 SER HB2 H 3.985 0.02 . 1168 129 129 SER HB3 H 4.044 0.02 . 1169 129 129 SER CA C 61.190 0.30 . 1170 129 129 SER CB C 62.370 0.30 . 1171 129 129 SER N N 115.662 0.30 . 1172 130 130 LYS H H 7.895 0.02 . 1173 130 130 LYS HA H 4.109 0.02 . 1174 130 130 LYS HB2 H 1.894 0.02 . 1175 130 130 LYS HB3 H 1.986 0.02 . 1176 130 130 LYS HG2 H 1.433 0.02 . 1177 130 130 LYS HG3 H 1.595 0.02 . 1178 130 130 LYS HD2 H 1.660 0.02 . 1179 130 130 LYS HD3 H 1.660 0.02 . 1180 130 130 LYS HE2 H 2.888 0.02 . 1181 130 130 LYS HE3 H 2.888 0.02 . 1182 130 130 LYS CA C 59.460 0.30 . 1183 130 130 LYS CB C 32.539 0.30 . 1184 130 130 LYS CG C 25.750 0.30 . 1185 130 130 LYS CD C 29.268 0.30 . 1186 130 130 LYS CE C 41.578 0.30 . 1187 130 130 LYS N N 124.319 0.30 . 1188 131 131 LEU H H 8.620 0.02 . 1189 131 131 LEU HA H 3.906 0.02 . 1190 131 131 LEU HB2 H 1.654 0.02 . 1191 131 131 LEU HB3 H 1.849 0.02 . 1192 131 131 LEU HG H 1.298 0.02 . 1193 131 131 LEU HD1 H 0.934 0.02 . 1194 131 131 LEU HD2 H 0.889 0.02 . 1195 131 131 LEU HD2 H 0.934 0.02 . 1196 131 131 LEU CA C 58.360 0.30 . 1197 131 131 LEU CB C 41.449 0.30 . 1198 131 131 LEU CG C 27.300 0.30 . 1199 131 131 LEU CD1 C 25.530 0.30 . 1200 131 131 LEU CD2 C 25.190 0.30 . 1201 131 131 LEU N N 121.275 0.30 . 1202 132 132 ALA H H 7.834 0.02 . 1203 132 132 ALA HA H 3.963 0.02 . 1204 132 132 ALA HB H 1.466 0.02 . 1205 132 132 ALA CA C 54.821 0.30 . 1206 132 132 ALA CB C 17.480 0.30 . 1207 132 132 ALA N N 120.448 0.30 . 1208 133 133 ALA H H 7.634 0.02 . 1209 133 133 ALA HA H 4.158 0.02 . 1210 133 133 ALA HB H 1.537 0.02 . 1211 133 133 ALA CA C 54.376 0.30 . 1212 133 133 ALA CB C 17.850 0.30 . 1213 133 133 ALA N N 119.931 0.30 . 1214 134 134 CYS H H 8.008 0.02 . 1215 134 134 CYS HA H 4.139 0.02 . 1216 134 134 CYS HB2 H 2.654 0.02 . 1217 134 134 CYS HB3 H 2.887 0.02 . 1218 134 134 CYS CA C 62.070 0.30 . 1219 134 134 CYS CB C 27.030 0.30 . 1220 134 134 CYS N N 117.197 0.30 . 1221 135 135 ARG H H 7.829 0.02 . 1222 135 135 ARG HA H 3.704 0.02 . 1223 135 135 ARG HB2 H 1.695 0.02 . 1224 135 135 ARG HB3 H 1.566 0.02 . 1225 135 135 ARG HG2 H 1.304 0.02 . 1226 135 135 ARG HG3 H 1.477 0.02 . 1227 135 135 ARG HD2 H 2.912 0.02 . 1228 135 135 ARG HD3 H 2.991 0.02 . 1229 135 135 ARG CA C 58.100 0.30 . 1230 135 135 ARG CB C 30.097 0.30 . 1231 135 135 ARG CG C 27.220 0.30 . 1232 135 135 ARG CD C 43.365 0.30 . 1233 135 135 ARG N N 119.747 0.30 . 1234 136 136 ASN H H 7.932 0.02 . 1235 136 136 ASN HA H 4.540 0.02 . 1236 136 136 ASN HB2 H 2.701 0.02 . 1237 136 136 ASN HB3 H 2.810 0.02 . 1238 136 136 ASN CA C 54.245 0.30 . 1239 136 136 ASN CB C 38.176 0.30 . 1240 136 136 ASN N N 118.036 0.30 . 1241 137 137 PHE H H 7.885 0.02 . 1242 137 137 PHE HA H 4.438 0.02 . 1243 137 137 PHE HB2 H 3.152 0.02 . 1244 137 137 PHE HB3 H 3.152 0.02 . 1245 137 137 PHE CA C 59.170 0.30 . 1246 137 137 PHE CB C 38.928 0.30 . 1247 137 137 PHE N N 120.883 0.30 . 1248 138 138 ALA H H 8.056 0.02 . 1249 138 138 ALA HA H 4.123 0.02 . 1250 138 138 ALA HB H 1.456 0.02 . 1251 138 138 ALA CA C 53.264 0.30 . 1252 138 138 ALA CB C 18.670 0.30 . 1253 138 138 ALA N N 123.193 0.30 . 1254 139 139 LYS H H 7.922 0.02 . 1255 139 139 LYS HA H 4.147 0.02 . 1256 139 139 LYS HB2 H 1.840 0.02 . 1257 139 139 LYS HB3 H 1.818 0.02 . 1258 139 139 LYS HG2 H 1.414 0.02 . 1259 139 139 LYS HG3 H 1.474 0.02 . 1260 139 139 LYS HD2 H 1.667 0.02 . 1261 139 139 LYS HD3 H 1.667 0.02 . 1262 139 139 LYS HE2 H 2.961 0.02 . 1263 139 139 LYS HE3 H 2.961 0.02 . 1264 139 139 LYS CA C 57.320 0.30 . 1265 139 139 LYS CB C 32.505 0.30 . 1266 139 139 LYS CG C 24.660 0.30 . 1267 139 139 LYS CD C 28.920 0.30 . 1268 139 139 LYS CE C 41.739 0.30 . 1269 139 139 LYS N N 119.600 0.30 . 1270 140 140 ASP H H 8.124 0.02 . 1271 140 140 ASP HA H 4.559 0.02 . 1272 140 140 ASP HB2 H 2.636 0.02 . 1273 140 140 ASP HB3 H 2.677 0.02 . 1274 140 140 ASP CA C 54.227 0.30 . 1275 140 140 ASP CB C 41.187 0.30 . 1276 140 140 ASP N N 120.603 0.30 . 1277 141 141 GLN H H 8.145 0.02 . 1278 141 141 GLN HA H 4.110 0.02 . 1279 141 141 GLN HB2 H 1.893 0.02 . 1280 141 141 GLN HB3 H 2.064 0.02 . 1281 141 141 GLN HG2 H 2.194 0.02 . 1282 141 141 GLN HG3 H 2.194 0.02 . 1283 141 141 GLN CA C 56.628 0.30 . 1284 141 141 GLN CB C 28.890 0.30 . 1285 141 141 GLN CG C 33.547 0.30 . 1286 141 141 GLN N N 120.210 0.30 . 1287 142 142 ALA H H 8.095 0.02 . 1288 142 142 ALA HA H 4.249 0.02 . 1289 142 142 ALA HB H 1.419 0.02 . 1290 142 142 ALA CA C 52.902 0.30 . 1291 142 142 ALA CB C 18.740 0.30 . 1292 142 142 ALA N N 123.424 0.30 . 1293 143 143 SER H H 7.997 0.02 . 1294 143 143 SER HA H 4.395 0.02 . 1295 143 143 SER HB2 H 3.820 0.02 . 1296 143 143 SER HB3 H 3.820 0.02 . 1297 143 143 SER CA C 58.340 0.30 . 1298 143 143 SER CB C 63.800 0.30 . 1299 143 143 SER N N 114.227 0.30 . 1300 144 144 ARG H H 8.019 0.02 . 1301 144 144 ARG HA H 4.342 0.02 . 1302 144 144 ARG HB2 H 1.745 0.02 . 1303 144 144 ARG HB3 H 1.884 0.02 . 1304 144 144 ARG HG2 H 1.600 0.02 . 1305 144 144 ARG HG3 H 1.649 0.02 . 1306 144 144 ARG HD2 H 3.159 0.02 . 1307 144 144 ARG HD3 H 3.159 0.02 . 1308 144 144 ARG CA C 55.758 0.30 . 1309 144 144 ARG CB C 30.535 0.30 . 1310 144 144 ARG CG C 26.830 0.30 . 1311 144 144 ARG CD C 43.134 0.30 . 1312 144 144 ARG N N 123.374 0.30 . 1313 145 145 LYS H H 7.885 0.02 . 1314 145 145 LYS CA C 57.900 0.30 . 1315 145 145 LYS CB C 41.840 0.30 . 1316 145 145 LYS N N 128.175 0.30 . stop_ save_