data_25767 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the Vta1NTD-Did2(176-204) complex ; _BMRB_accession_number 25767 _BMRB_flat_file_name bmr25767.str _Entry_type original _Submission_date 2015-08-25 _Accession_date 2015-08-25 _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 Shen Jie . . 2 Yang Zhongzheng . . 3 Wang Jiaolong . . 4 Vild Cody . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1062 "13C chemical shifts" 688 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-21 update BMRB 'update entry citation' 2016-09-29 original author 'original release' stop_ _Original_release_date 2016-09-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR studies on the interactions between yeast Vta1 and Did2 during the multivesicular bodies sorting pathway ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27924850 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shen Jie . . 2 Yang Zhongzheng . . 3 Wang Jiaolong . . 4 Zhao Bin . . 5 Lan Wenxian . . 6 Wang Chunxi . . 7 Zhang Xu . . 8 Wild Cody J. . 9 Liu Maili . . 10 Xu Zhaohui . . 11 Cao Chunyang . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 6 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 38710 _Page_last 38710 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Vta1NTD-Did2(176-204) complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _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 19062.176 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MASNAARVVATAKDFDKVGL GIIGYYLQLYAVELILSEED RSQEMTALATELLDTIEAFK KEIGGESEAEDSDKSLHVMN TLIHDQEKAKIYMLNFTMSL YNEKLKQLKDGPWDVMLKRS LWCCIDLFSCILHLWKENIS ETSTNSLQKRIKYCKIYLSK LAKGEIG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 ASN 5 ALA 6 ALA 7 ARG 8 VAL 9 VAL 10 ALA 11 THR 12 ALA 13 LYS 14 ASP 15 PHE 16 ASP 17 LYS 18 VAL 19 GLY 20 LEU 21 GLY 22 ILE 23 ILE 24 GLY 25 TYR 26 TYR 27 LEU 28 GLN 29 LEU 30 TYR 31 ALA 32 VAL 33 GLU 34 LEU 35 ILE 36 LEU 37 SER 38 GLU 39 GLU 40 ASP 41 ARG 42 SER 43 GLN 44 GLU 45 MET 46 THR 47 ALA 48 LEU 49 ALA 50 THR 51 GLU 52 LEU 53 LEU 54 ASP 55 THR 56 ILE 57 GLU 58 ALA 59 PHE 60 LYS 61 LYS 62 GLU 63 ILE 64 GLY 65 GLY 66 GLU 67 SER 68 GLU 69 ALA 70 GLU 71 ASP 72 SER 73 ASP 74 LYS 75 SER 76 LEU 77 HIS 78 VAL 79 MET 80 ASN 81 THR 82 LEU 83 ILE 84 HIS 85 ASP 86 GLN 87 GLU 88 LYS 89 ALA 90 LYS 91 ILE 92 TYR 93 MET 94 LEU 95 ASN 96 PHE 97 THR 98 MET 99 SER 100 LEU 101 TYR 102 ASN 103 GLU 104 LYS 105 LEU 106 LYS 107 GLN 108 LEU 109 LYS 110 ASP 111 GLY 112 PRO 113 TRP 114 ASP 115 VAL 116 MET 117 LEU 118 LYS 119 ARG 120 SER 121 LEU 122 TRP 123 CYS 124 CYS 125 ILE 126 ASP 127 LEU 128 PHE 129 SER 130 CYS 131 ILE 132 LEU 133 HIS 134 LEU 135 TRP 136 LYS 137 GLU 138 ASN 139 ILE 140 SER 141 GLU 142 THR 143 SER 144 THR 145 ASN 146 SER 147 LEU 148 GLN 149 LYS 150 ARG 151 ILE 152 LYS 153 TYR 154 CYS 155 LYS 156 ILE 157 TYR 158 LEU 159 SER 160 LYS 161 LEU 162 ALA 163 LYS 164 GLY 165 GLU 166 ILE 167 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 3341.826 _Mol_thiol_state 'not present' _Details . _Residue_count 29 _Mol_residue_sequence ; NVPEIKAKEVNVDDEKEDKL AQRLRALRG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 176 ASN 2 177 VAL 3 178 PRO 4 179 GLU 5 180 ILE 6 181 LYS 7 182 ALA 8 183 LYS 9 184 GLU 10 185 VAL 11 186 ASN 12 187 VAL 13 188 ASP 14 189 ASP 15 190 GLU 16 191 LYS 17 192 GLU 18 193 ASP 19 194 LYS 20 195 LEU 21 196 ALA 22 197 GLN 23 198 ARG 24 199 LEU 25 200 ARG 26 201 ALA 27 202 LEU 28 203 ARG 29 204 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae $entity_2 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 BL21(DE3) pET28b $entity_2 'recombinant technology' . Escherichia coli BL21(DE3) pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.5mM uniformly 15N-/13C double labeled or 15N-/13C-/70% 2H triple labeled Vta1NTD plus 1.8 mM unlabeled Did2176-204' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-13C; U-15N]' $entity_1 1.5 mM '[U-13C; U-15N; U-70% 2H]' $entity_2 1.8 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM '[U-100% 2H]' D2O 10 % '[U-100% 2H]' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.5 mM uniformly labeled 15N-/13C-labeled Did2176-204 in complex with 1.8 mM unlabeled Vta1NTD' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.8 mM 'natural abundance' $entity_2 1.5 mM '[U-13C; U-15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM '[U-100% 2H]' D2O 10 % '[U-100% 2H]' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_13C-F1_edited_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-F1 edited NOESY' _Sample_label $sample_1 save_ save_3D_13C-F1_edited_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-F1 edited NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 175 . mM pH 7.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D 13C-F1 edited NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_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 HA H 4.295 0.02 . 2 1 1 MET HB2 H 1.974 0.02 . 3 1 1 MET HB3 H 1.974 0.02 . 4 1 1 MET C C 177.572 0.1 . 5 1 1 MET CA C 57.829 0.1 . 6 1 1 MET CB C 31.376 0.1 . 7 2 2 ALA H H 8.509 0.02 . 8 2 2 ALA HA H 4.023 0.02 . 9 2 2 ALA HB H 1.310 0.02 . 10 2 2 ALA C C 179.915 0.1 . 11 2 2 ALA CA C 55.117 0.1 . 12 2 2 ALA CB C 18.539 0.1 . 13 2 2 ALA N N 122.811 0.1 . 14 3 3 SER H H 7.996 0.02 . 15 3 3 SER HA H 4.097 0.02 . 16 3 3 SER HB2 H 3.729 0.02 . 17 3 3 SER HB3 H 3.729 0.02 . 18 3 3 SER C C 176.706 0.1 . 19 3 3 SER CA C 60.665 0.1 . 20 3 3 SER CB C 62.710 0.1 . 21 3 3 SER N N 115.308 0.1 . 22 4 4 ASN H H 8.075 0.02 . 23 4 4 ASN HA H 4.304 0.02 . 24 4 4 ASN HB2 H 2.464 0.02 . 25 4 4 ASN HB3 H 2.743 0.02 . 26 4 4 ASN C C 176.258 0.1 . 27 4 4 ASN CA C 55.701 0.1 . 28 4 4 ASN CB C 38.177 0.1 . 29 4 4 ASN N N 122.688 0.1 . 30 5 5 ALA H H 8.659 0.02 . 31 5 5 ALA HA H 3.575 0.02 . 32 5 5 ALA HB H 1.162 0.02 . 33 5 5 ALA C C 178.475 0.1 . 34 5 5 ALA CA C 55.833 0.1 . 35 5 5 ALA CB C 17.615 0.1 . 36 5 5 ALA N N 121.900 0.1 . 37 6 6 ALA H H 7.864 0.02 . 38 6 6 ALA HA H 3.787 0.02 . 39 6 6 ALA HB H 1.288 0.02 . 40 6 6 ALA HB H 1.299 0.02 . 41 6 6 ALA HB H 1.271 0.02 . 42 6 6 ALA C C 180.494 0.1 . 43 6 6 ALA CA C 55.350 0.1 . 44 6 6 ALA CB C 17.902 0.1 . 45 6 6 ALA N N 117.768 0.1 . 46 7 7 ARG H H 7.514 0.02 . 47 7 7 ARG HA H 3.903 0.02 . 48 7 7 ARG HB2 H 1.923 0.02 . 49 7 7 ARG HB3 H 1.632 0.02 . 50 7 7 ARG HD2 H 2.882 0.02 . 51 7 7 ARG HD3 H 2.882 0.02 . 52 7 7 ARG HH11 H 7.121 0.02 . 53 7 7 ARG HH12 H 7.121 0.02 . 54 7 7 ARG C C 179.189 0.1 . 55 7 7 ARG CA C 59.312 0.1 . 56 7 7 ARG CB C 29.222 0.1 . 57 7 7 ARG N N 121.173 0.1 . 58 8 8 VAL H H 8.101 0.02 . 59 8 8 VAL HA H 3.253 0.02 . 60 8 8 VAL HB H 2.023 0.02 . 61 8 8 VAL HG1 H 0.910 0.02 . 62 8 8 VAL HG2 H 0.847 0.02 . 63 8 8 VAL C C 177.821 0.1 . 64 8 8 VAL CA C 67.772 0.1 . 65 8 8 VAL CB C 31.441 0.1 . 66 8 8 VAL CG2 C 21.828 0.1 . 67 8 8 VAL N N 122.979 0.1 . 68 9 9 VAL H H 8.362 0.02 . 69 9 9 VAL HA H 3.266 0.02 . 70 9 9 VAL HB H 1.998 0.02 . 71 9 9 VAL HG1 H 0.916 0.02 . 72 9 9 VAL HG2 H 0.825 0.02 . 73 9 9 VAL C C 177.373 0.1 . 74 9 9 VAL CA C 67.484 0.1 . 75 9 9 VAL CB C 31.625 0.1 . 76 9 9 VAL CG1 C 25.254 0.1 . 77 9 9 VAL CG2 C 21.624 0.1 . 78 9 9 VAL N N 119.801 0.1 . 79 10 10 ALA H H 7.776 0.02 . 80 10 10 ALA HA H 3.936 0.02 . 81 10 10 ALA HB H 1.392 0.02 . 82 10 10 ALA C C 180.762 0.1 . 83 10 10 ALA CA C 55.444 0.1 . 84 10 10 ALA CB C 17.737 0.1 . 85 10 10 ALA N N 122.360 0.1 . 86 11 11 THR H H 8.180 0.02 . 87 11 11 THR HA H 3.816 0.02 . 88 11 11 THR HB H 4.394 0.02 . 89 11 11 THR HG2 H 1.402 0.02 . 90 11 11 THR C C 175.775 0.1 . 91 11 11 THR CA C 66.509 0.1 . 92 11 11 THR CB C 68.588 0.1 . 93 11 11 THR CG2 C 23.114 0.1 . 94 11 11 THR N N 117.376 0.1 . 95 12 12 ALA H H 8.671 0.02 . 96 12 12 ALA HA H 3.997 0.02 . 97 12 12 ALA HB H 1.651 0.02 . 98 12 12 ALA C C 179.399 0.1 . 99 12 12 ALA CA C 56.076 0.1 . 100 12 12 ALA CB C 19.244 0.1 . 101 12 12 ALA N N 125.308 0.1 . 102 13 13 LYS H H 8.061 0.02 . 103 13 13 LYS HB2 H 1.855 0.02 . 104 13 13 LYS HB3 H 1.885 0.02 . 105 13 13 LYS HG2 H 1.503 0.02 . 106 13 13 LYS HG3 H 1.503 0.02 . 107 13 13 LYS HD2 H 1.497 0.02 . 108 13 13 LYS HD3 H 1.497 0.02 . 109 13 13 LYS C C 179.646 0.1 . 110 13 13 LYS CA C 58.921 0.1 . 111 13 13 LYS CB C 31.443 0.1 . 112 13 13 LYS N N 116.977 0.1 . 113 14 14 ASP H H 7.669 0.02 . 114 14 14 ASP HA H 4.353 0.02 . 115 14 14 ASP HB2 H 2.730 0.02 . 116 14 14 ASP HB3 H 2.372 0.02 . 117 14 14 ASP C C 179.446 0.1 . 118 14 14 ASP CA C 57.509 0.1 . 119 14 14 ASP CB C 40.001 0.1 . 120 14 14 ASP N N 121.988 0.1 . 121 15 15 PHE H H 7.913 0.02 . 122 15 15 PHE HA H 4.344 0.02 . 123 15 15 PHE HB2 H 3.204 0.02 . 124 15 15 PHE HB3 H 2.762 0.02 . 125 15 15 PHE HD1 H 7.200 0.02 . 126 15 15 PHE C C 178.373 0.1 . 127 15 15 PHE CA C 62.237 0.1 . 128 15 15 PHE CB C 37.496 0.1 . 129 15 15 PHE N N 119.588 0.1 . 130 16 16 ASP H H 8.324 0.02 . 131 16 16 ASP HA H 3.995 0.02 . 132 16 16 ASP HB2 H 2.715 0.02 . 133 16 16 ASP HB3 H 2.613 0.02 . 134 16 16 ASP C C 180.071 0.1 . 135 16 16 ASP CA C 58.149 0.1 . 136 16 16 ASP CB C 41.487 0.1 . 137 16 16 ASP N N 121.705 0.1 . 138 17 17 LYS H H 7.834 0.02 . 139 17 17 LYS HA H 4.037 0.02 . 140 17 17 LYS HB2 H 1.946 0.02 . 141 17 17 LYS HB3 H 1.937 0.02 . 142 17 17 LYS HG2 H 1.540 0.02 . 143 17 17 LYS HG3 H 1.516 0.02 . 144 17 17 LYS HD2 H 1.583 0.02 . 145 17 17 LYS HD3 H 1.583 0.02 . 146 17 17 LYS HE2 H 2.792 0.02 . 147 17 17 LYS HE3 H 2.882 0.02 . 148 17 17 LYS HZ H 7.116 0.02 . 149 17 17 LYS C C 178.407 0.1 . 150 17 17 LYS CA C 59.061 0.1 . 151 17 17 LYS CB C 32.584 0.1 . 152 17 17 LYS CG C 25.239 0.1 . 153 17 17 LYS CD C 29.300 0.1 . 154 17 17 LYS CE C 42.218 0.1 . 155 17 17 LYS N N 118.825 0.1 . 156 18 18 VAL H H 7.185 0.02 . 157 18 18 VAL HA H 4.516 0.02 . 158 18 18 VAL HB H 2.509 0.02 . 159 18 18 VAL HG1 H 0.911 0.02 . 160 18 18 VAL HG2 H 1.074 0.02 . 161 18 18 VAL C C 176.144 0.1 . 162 18 18 VAL CA C 60.874 0.1 . 163 18 18 VAL CB C 31.160 0.1 . 164 18 18 VAL CG1 C 21.140 0.1 . 165 18 18 VAL CG2 C 19.414 0.1 . 166 18 18 VAL N N 110.562 0.1 . 167 19 19 GLY H H 7.723 0.02 . 168 19 19 GLY HA2 H 3.955 0.02 . 169 19 19 GLY HA3 H 3.955 0.02 . 170 19 19 GLY C C 175.043 0.1 . 171 19 19 GLY CA C 45.831 0.1 . 172 19 19 GLY N N 109.272 0.1 . 173 20 20 LEU H H 8.083 0.02 . 174 20 20 LEU HA H 4.320 0.02 . 175 20 20 LEU HB2 H 1.435 0.02 . 176 20 20 LEU HB3 H 1.497 0.02 . 177 20 20 LEU HD1 H 0.982 0.02 . 178 20 20 LEU HD2 H 0.828 0.02 . 179 20 20 LEU C C 177.949 0.1 . 180 20 20 LEU CA C 52.804 0.1 . 181 20 20 LEU CB C 39.917 0.1 . 182 20 20 LEU CD1 C 26.795 0.1 . 183 20 20 LEU N N 125.428 0.1 . 184 21 21 GLY H H 7.982 0.02 . 185 21 21 GLY HA2 H 3.881 0.02 . 186 21 21 GLY HA3 H 3.881 0.02 . 187 21 21 GLY C C 176.278 0.1 . 188 21 21 GLY CA C 47.294 0.1 . 189 21 21 GLY N N 107.804 0.1 . 190 22 22 ILE H H 8.478 0.02 . 191 22 22 ILE HA H 3.910 0.02 . 192 22 22 ILE HB H 2.066 0.02 . 193 22 22 ILE HG12 H 1.461 0.02 . 194 22 22 ILE HG13 H 1.333 0.02 . 195 22 22 ILE HG2 H 0.871 0.02 . 196 22 22 ILE HD1 H 0.631 0.02 . 197 22 22 ILE C C 176.604 0.1 . 198 22 22 ILE CA C 61.446 0.1 . 199 22 22 ILE CB C 35.566 0.1 . 200 22 22 ILE CG1 C 27.351 0.1 . 201 22 22 ILE CG2 C 18.591 0.1 . 202 22 22 ILE CD1 C 10.893 0.1 . 203 22 22 ILE N N 121.319 0.1 . 204 23 23 ILE H H 6.869 0.02 . 205 23 23 ILE HA H 3.713 0.02 . 206 23 23 ILE HB H 1.420 0.02 . 207 23 23 ILE HG12 H 0.846 0.02 . 208 23 23 ILE HG13 H 0.846 0.02 . 209 23 23 ILE HG2 H -0.164 0.02 . 210 23 23 ILE HD1 H -0.206 0.02 . 211 23 23 ILE C C 178.581 0.1 . 212 23 23 ILE CA C 64.246 0.1 . 213 23 23 ILE CB C 36.199 0.1 . 214 23 23 ILE CG1 C 28.313 0.1 . 215 23 23 ILE CG2 C 17.537 0.1 . 216 23 23 ILE CD1 C 11.356 0.1 . 217 23 23 ILE N N 120.377 0.1 . 218 24 24 GLY H H 7.488 0.02 . 219 24 24 GLY HA2 H 3.947 0.02 . 220 24 24 GLY HA3 H 3.947 0.02 . 221 24 24 GLY C C 175.308 0.1 . 222 24 24 GLY CA C 47.943 0.1 . 223 24 24 GLY N N 103.449 0.1 . 224 25 25 TYR H H 7.931 0.02 . 225 25 25 TYR HA H 3.666 0.02 . 226 25 25 TYR HB2 H 2.754 0.02 . 227 25 25 TYR HB3 H 2.754 0.02 . 228 25 25 TYR HD1 H 5.972 0.02 . 229 25 25 TYR HD2 H 5.972 0.02 . 230 25 25 TYR HE1 H 6.469 0.02 . 231 25 25 TYR HE2 H 6.559 0.02 . 232 25 25 TYR C C 176.208 0.1 . 233 25 25 TYR CA C 61.371 0.1 . 234 25 25 TYR CB C 38.267 0.1 . 235 25 25 TYR N N 124.685 0.1 . 236 26 26 TYR H H 7.693 0.02 . 237 26 26 TYR HA H 3.941 0.02 . 238 26 26 TYR HB2 H 2.795 0.02 . 239 26 26 TYR HB3 H 2.795 0.02 . 240 26 26 TYR HD1 H 5.973 0.02 . 241 26 26 TYR HD2 H 5.973 0.02 . 242 26 26 TYR HE1 H 6.720 0.02 . 243 26 26 TYR HE2 H 6.805 0.02 . 244 26 26 TYR C C 178.753 0.1 . 245 26 26 TYR CA C 64.260 0.1 . 246 26 26 TYR CB C 37.521 0.1 . 247 26 26 TYR N N 117.001 0.1 . 248 27 27 LEU H H 8.339 0.02 . 249 27 27 LEU HA H 4.311 0.02 . 250 27 27 LEU HB2 H 1.716 0.02 . 251 27 27 LEU HB3 H 1.716 0.02 . 252 27 27 LEU HG H 0.869 0.02 . 253 27 27 LEU HD1 H 0.494 0.02 . 254 27 27 LEU HD2 H 0.920 0.02 . 255 27 27 LEU CA C 58.297 0.1 . 256 27 27 LEU CB C 42.723 0.1 . 257 27 27 LEU CG C 27.323 0.1 . 258 27 27 LEU CD1 C 25.361 0.1 . 259 27 27 LEU CD2 C 22.891 0.1 . 260 27 27 LEU N N 118.657 0.1 . 261 28 28 GLN H H 7.970 0.02 . 262 28 28 GLN HA H 3.651 0.02 . 263 28 28 GLN HG2 H 2.444 0.02 . 264 28 28 GLN HG3 H 2.746 0.02 . 265 28 28 GLN C C 177.282 0.1 . 266 28 28 GLN CA C 58.829 0.1 . 267 28 28 GLN CB C 29.648 0.1 . 268 28 28 GLN N N 118.593 0.1 . 269 29 29 LEU H H 7.979 0.02 . 270 29 29 LEU HA H 3.944 0.02 . 271 29 29 LEU HB2 H 1.685 0.02 . 272 29 29 LEU HB3 H 1.685 0.02 . 273 29 29 LEU HG H 1.477 0.02 . 274 29 29 LEU HD1 H 0.559 0.02 . 275 29 29 LEU HD2 H 0.749 0.02 . 276 29 29 LEU CA C 58.666 0.1 . 277 29 29 LEU CB C 42.008 0.1 . 278 29 29 LEU CD1 C 25.342 0.1 . 279 29 29 LEU CD2 C 25.342 0.1 . 280 29 29 LEU N N 122.111 0.1 . 281 30 30 TYR H H 8.093 0.02 . 282 30 30 TYR HB2 H 2.518 0.02 . 283 30 30 TYR HB3 H 2.909 0.02 . 284 30 30 TYR HD1 H 6.677 0.02 . 285 30 30 TYR HE1 H 6.399 0.02 . 286 30 30 TYR C C 175.775 0.1 . 287 30 30 TYR CA C 59.094 0.1 . 288 30 30 TYR CB C 39.073 0.1 . 289 30 30 TYR N N 119.283 0.1 . 290 31 31 ALA H H 8.394 0.02 . 291 31 31 ALA HA H 3.368 0.02 . 292 31 31 ALA HB H 1.225 0.02 . 293 31 31 ALA C C 178.955 0.1 . 294 31 31 ALA CA C 55.547 0.1 . 295 31 31 ALA CB C 17.963 0.1 . 296 31 31 ALA N N 121.327 0.1 . 297 32 32 VAL H H 8.020 0.02 . 298 32 32 VAL HA H 3.260 0.02 . 299 32 32 VAL HB H 2.123 0.02 . 300 32 32 VAL HG1 H 0.942 0.02 . 301 32 32 VAL HG2 H 0.600 0.02 . 302 32 32 VAL CA C 67.662 0.1 . 303 32 32 VAL CB C 30.971 0.1 . 304 32 32 VAL CG1 C 25.343 0.1 . 305 32 32 VAL CG2 C 21.838 0.1 . 306 32 32 VAL N N 116.757 0.1 . 307 33 33 GLU H H 7.358 0.02 . 308 33 33 GLU HA H 3.989 0.02 . 309 33 33 GLU HG2 H 2.273 0.02 . 310 33 33 GLU C C 179.746 0.1 . 311 33 33 GLU CA C 60.003 0.1 . 312 33 33 GLU CG C 36.671 0.1 . 313 33 33 GLU N N 118.775 0.1 . 314 34 34 LEU H H 8.390 0.02 . 315 34 34 LEU HA H 3.649 0.02 . 316 34 34 LEU HB2 H 1.192 0.02 . 317 34 34 LEU HB3 H 1.500 0.02 . 318 34 34 LEU HD1 H 0.170 0.02 . 319 34 34 LEU HD2 H 0.453 0.02 . 320 34 34 LEU C C 180.336 0.1 . 321 34 34 LEU CA C 57.675 0.1 . 322 34 34 LEU CB C 41.588 0.1 . 323 34 34 LEU CD2 C 22.068 0.1 . 324 34 34 LEU N N 120.632 0.1 . 325 35 35 ILE H H 8.129 0.02 . 326 35 35 ILE HA H 3.542 0.02 . 327 35 35 ILE HB H 1.672 0.02 . 328 35 35 ILE HG12 H 1.180 0.02 . 329 35 35 ILE HG13 H 1.180 0.02 . 330 35 35 ILE HG2 H 0.717 0.02 . 331 35 35 ILE HD1 H 0.574 0.02 . 332 35 35 ILE C C 178.604 0.1 . 333 35 35 ILE CA C 65.547 0.1 . 334 35 35 ILE CB C 38.731 0.1 . 335 35 35 ILE CG1 C 28.831 0.1 . 336 35 35 ILE CG2 C 18.528 0.1 . 337 35 35 ILE CD1 C 14.259 0.1 . 338 35 35 ILE N N 121.240 0.1 . 339 36 36 LEU H H 8.416 0.02 . 340 36 36 LEU HA H 4.008 0.02 . 341 36 36 LEU HB2 H 1.730 0.02 . 342 36 36 LEU HB3 H 1.730 0.02 . 343 36 36 LEU HG H 1.440 0.02 . 344 36 36 LEU HD1 H 0.618 0.02 . 345 36 36 LEU HD2 H 0.589 0.02 . 346 36 36 LEU C C 178.001 0.1 . 347 36 36 LEU CA C 56.076 0.1 . 348 36 36 LEU CB C 39.934 0.1 . 349 36 36 LEU CG C 26.047 0.1 . 350 36 36 LEU CD1 C 26.107 0.1 . 351 36 36 LEU CD2 C 21.969 0.1 . 352 36 36 LEU N N 115.637 0.1 . 353 37 37 SER H H 7.517 0.02 . 354 37 37 SER HA H 3.991 0.02 . 355 37 37 SER HB2 H 4.243 0.02 . 356 37 37 SER HB3 H 4.243 0.02 . 357 37 37 SER C C 173.997 0.1 . 358 37 37 SER CA C 60.311 0.1 . 359 37 37 SER CB C 63.746 0.1 . 360 37 37 SER N N 114.106 0.1 . 361 38 38 GLU H H 7.151 0.02 . 362 38 38 GLU HA H 4.369 0.02 . 363 38 38 GLU HB2 H 1.848 0.02 . 364 38 38 GLU HB3 H 1.848 0.02 . 365 38 38 GLU HG2 H 2.086 0.02 . 366 38 38 GLU HG3 H 2.086 0.02 . 367 38 38 GLU C C 175.780 0.1 . 368 38 38 GLU CA C 55.365 0.1 . 369 38 38 GLU CB C 30.293 0.1 . 370 38 38 GLU CG C 36.220 0.1 . 371 38 38 GLU N N 123.003 0.1 . 372 39 39 GLU H H 8.587 0.02 . 373 39 39 GLU HA H 4.009 0.02 . 374 39 39 GLU HB2 H 1.916 0.02 . 375 39 39 GLU HB3 H 1.916 0.02 . 376 39 39 GLU HG2 H 2.169 0.02 . 377 39 39 GLU HG3 H 2.169 0.02 . 378 39 39 GLU C C 176.652 0.1 . 379 39 39 GLU CA C 58.198 0.1 . 380 39 39 GLU CB C 30.035 0.1 . 381 39 39 GLU N N 126.166 0.1 . 382 40 40 ASP H H 8.504 0.02 . 383 40 40 ASP HA H 4.550 0.02 . 384 40 40 ASP HB2 H 2.465 0.02 . 385 40 40 ASP HB3 H 2.647 0.02 . 386 40 40 ASP C C 175.035 0.1 . 387 40 40 ASP CA C 53.368 0.1 . 388 40 40 ASP CB C 40.023 0.1 . 389 40 40 ASP N N 120.047 0.1 . 390 41 41 ARG H H 7.672 0.02 . 391 41 41 ARG HA H 4.389 0.02 . 392 41 41 ARG HB2 H 2.033 0.02 . 393 41 41 ARG HB3 H 2.033 0.02 . 394 41 41 ARG HD2 H 2.788 0.02 . 395 41 41 ARG HD3 H 2.788 0.02 . 396 41 41 ARG HH11 H 7.154 0.02 . 397 41 41 ARG HH12 H 7.154 0.02 . 398 41 41 ARG C C 175.755 0.1 . 399 41 41 ARG CA C 55.008 0.1 . 400 41 41 ARG CB C 31.549 0.1 . 401 41 41 ARG N N 120.671 0.1 . 402 42 42 SER H H 8.544 0.02 . 403 42 42 SER HA H 3.837 0.02 . 404 42 42 SER HB2 H 4.010 0.02 . 405 42 42 SER HB3 H 4.010 0.02 . 406 42 42 SER CA C 57.326 0.1 . 407 42 42 SER CB C 65.762 0.1 . 408 42 42 SER N N 120.330 0.1 . 409 43 43 GLN HA H 3.989 0.02 . 410 43 43 GLN HB2 H 1.996 0.02 . 411 43 43 GLN HB3 H 2.054 0.02 . 412 43 43 GLN HG2 H 2.255 0.02 . 413 43 43 GLN HG3 H 2.382 0.02 . 414 43 43 GLN HE21 H 7.503 0.02 . 415 43 43 GLN HE22 H 6.833 0.02 . 416 43 43 GLN C C 178.907 0.1 . 417 43 43 GLN CA C 59.370 0.1 . 418 43 43 GLN CB C 27.963 0.1 . 419 43 43 GLN CG C 33.899 0.1 . 420 43 43 GLN NE2 N 112.778 0.1 . 421 44 44 GLU H H 8.938 0.02 . 422 44 44 GLU HA H 4.013 0.02 . 423 44 44 GLU HB2 H 1.926 0.02 . 424 44 44 GLU HB3 H 1.825 0.02 . 425 44 44 GLU HG2 H 2.277 0.02 . 426 44 44 GLU HG3 H 2.277 0.02 . 427 44 44 GLU C C 179.824 0.1 . 428 44 44 GLU CA C 60.045 0.1 . 429 44 44 GLU CB C 28.648 0.1 . 430 44 44 GLU CG C 37.106 0.1 . 431 44 44 GLU N N 120.328 0.1 . 432 45 45 MET H H 7.756 0.02 . 433 45 45 MET HA H 4.412 0.02 . 434 45 45 MET HB2 H 1.883 0.02 . 435 45 45 MET HB3 H 1.883 0.02 . 436 45 45 MET HG2 H 2.807 0.02 . 437 45 45 MET HG3 H 2.294 0.02 . 438 45 45 MET HE H 1.613 0.02 . 439 45 45 MET C C 180.357 0.1 . 440 45 45 MET CA C 57.209 0.1 . 441 45 45 MET CB C 32.436 0.1 . 442 45 45 MET N N 121.030 0.1 . 443 46 46 THR H H 8.187 0.02 . 444 46 46 THR HA H 4.071 0.02 . 445 46 46 THR HB H 3.743 0.02 . 446 46 46 THR HG2 H 1.157 0.02 . 447 46 46 THR CA C 67.096 0.1 . 448 46 46 THR CB C 68.954 0.1 . 449 46 46 THR N N 120.008 0.1 . 450 47 47 ALA H H 8.238 0.02 . 451 47 47 ALA HA H 4.109 0.02 . 452 47 47 ALA HB H 1.469 0.02 . 453 47 47 ALA C C 180.118 0.1 . 454 47 47 ALA CA C 55.339 0.1 . 455 47 47 ALA CB C 17.832 0.1 . 456 48 48 LEU H H 7.778 0.02 . 457 48 48 LEU HA H 4.263 0.02 . 458 48 48 LEU HB2 H 2.015 0.02 . 459 48 48 LEU HB3 H 2.039 0.02 . 460 48 48 LEU HD2 H 0.777 0.02 . 461 48 48 LEU C C 179.103 0.1 . 462 48 48 LEU CA C 57.740 0.1 . 463 48 48 LEU CB C 40.796 0.1 . 464 48 48 LEU N N 122.093 0.1 . 465 49 49 ALA H H 8.432 0.02 . 466 49 49 ALA HA H 3.721 0.02 . 467 49 49 ALA HB H 1.483 0.02 . 468 49 49 ALA C C 178.676 0.1 . 469 49 49 ALA CA C 55.721 0.1 . 470 49 49 ALA CB C 17.827 0.1 . 471 49 49 ALA N N 120.130 0.1 . 472 50 50 THR H H 7.857 0.02 . 473 50 50 THR HA H 3.895 0.02 . 474 50 50 THR HB H 4.285 0.02 . 475 50 50 THR HG1 H 5.441 0.02 . 476 50 50 THR HG2 H 1.119 0.02 . 477 50 50 THR C C 174.948 0.1 . 478 50 50 THR CA C 67.334 0.1 . 479 50 50 THR CB C 68.864 0.1 . 480 50 50 THR CG2 C 22.700 0.1 . 481 50 50 THR N N 113.333 0.1 . 482 51 51 GLU H H 7.817 0.02 . 483 51 51 GLU HA H 4.068 0.02 . 484 51 51 GLU HB2 H 2.059 0.02 . 485 51 51 GLU HB3 H 2.104 0.02 . 486 51 51 GLU HG2 H 2.154 0.02 . 487 51 51 GLU HG3 H 2.154 0.02 . 488 51 51 GLU C C 179.997 0.1 . 489 51 51 GLU CA C 59.433 0.1 . 490 51 51 GLU CB C 29.517 0.1 . 491 51 51 GLU N N 122.698 0.1 . 492 52 52 LEU H H 8.628 0.02 . 493 52 52 LEU HA H 4.129 0.02 . 494 52 52 LEU HB2 H 1.897 0.02 . 495 52 52 LEU HB3 H 1.897 0.02 . 496 52 52 LEU HG H 0.598 0.02 . 497 52 52 LEU HD1 H 0.819 0.02 . 498 52 52 LEU HD2 H 0.151 0.02 . 499 52 52 LEU CA C 57.889 0.1 . 500 52 52 LEU CB C 41.947 0.1 . 501 52 52 LEU CG C 26.490 0.1 . 502 52 52 LEU CD1 C 23.105 0.1 . 503 52 52 LEU CD2 C 23.105 0.1 . 504 52 52 LEU N N 121.100 0.1 . 505 53 53 LEU H H 8.303 0.02 . 506 53 53 LEU HD1 H 0.760 0.02 . 507 53 53 LEU C C 179.671 0.1 . 508 53 53 LEU CD2 C 23.582 0.1 . 509 53 53 LEU N N 119.935 0.1 . 510 54 54 ASP H H 7.901 0.02 . 511 54 54 ASP HB2 H 2.630 0.02 . 512 54 54 ASP C C 179.106 0.1 . 513 54 54 ASP N N 120.339 0.1 . 514 55 55 THR H H 8.262 0.02 . 515 55 55 THR HA H 3.696 0.02 . 516 55 55 THR HB H 4.263 0.02 . 517 55 55 THR HG2 H 1.181 0.02 . 518 55 55 THR CA C 67.340 0.1 . 519 55 55 THR CB C 68.151 0.1 . 520 55 55 THR CG2 C 22.268 0.1 . 521 55 55 THR N N 120.237 0.1 . 522 56 56 ILE H H 8.930 0.02 . 523 56 56 ILE HA H 3.843 0.02 . 524 56 56 ILE HG2 H 0.866 0.02 . 525 56 56 ILE HD1 H 0.444 0.02 . 526 56 56 ILE CA C 65.894 0.1 . 527 56 56 ILE CB C 38.133 0.1 . 528 56 56 ILE CG2 C 18.965 0.1 . 529 56 56 ILE CD1 C 14.186 0.1 . 530 56 56 ILE N N 123.953 0.1 . 531 57 57 GLU HB2 H 2.272 0.02 . 532 57 57 GLU HB3 H 1.904 0.02 . 533 57 57 GLU CB C 29.581 0.1 . 534 58 58 ALA H H 7.764 0.02 . 535 58 58 ALA HA H 4.031 0.02 . 536 58 58 ALA HB H 1.494 0.02 . 537 58 58 ALA C C 179.875 0.1 . 538 58 58 ALA CA C 55.266 0.1 . 539 58 58 ALA CB C 17.985 0.1 . 540 59 59 PHE H H 8.159 0.02 . 541 59 59 PHE HA H 4.226 0.02 . 542 59 59 PHE HB2 H 3.126 0.02 . 543 59 59 PHE HB3 H 3.239 0.02 . 544 59 59 PHE HD1 H 6.839 0.02 . 545 59 59 PHE HD2 H 6.839 0.02 . 546 59 59 PHE HE1 H 6.774 0.02 . 547 59 59 PHE HZ H 6.426 0.02 . 548 59 59 PHE CA C 61.439 0.1 . 549 59 59 PHE CB C 39.363 0.1 . 550 59 59 PHE N N 121.988 0.1 . 551 60 60 LYS HA H 3.541 0.02 . 552 60 60 LYS HB2 H 1.944 0.02 . 553 60 60 LYS HB3 H 1.944 0.02 . 554 60 60 LYS HG2 H 1.526 0.02 . 555 60 60 LYS HG3 H 1.526 0.02 . 556 60 60 LYS HE2 H 2.888 0.02 . 557 60 60 LYS HE3 H 2.926 0.02 . 558 60 60 LYS C C 179.438 0.1 . 559 60 60 LYS CA C 60.136 0.1 . 560 60 60 LYS CB C 32.058 0.1 . 561 60 60 LYS CE C 42.064 0.1 . 562 61 61 LYS H H 7.832 0.02 . 563 61 61 LYS HA H 3.945 0.02 . 564 61 61 LYS HB2 H 1.830 0.02 . 565 61 61 LYS HB3 H 1.830 0.02 . 566 61 61 LYS HG2 H 1.317 0.02 . 567 61 61 LYS HG3 H 1.457 0.02 . 568 61 61 LYS HE2 H 2.882 0.02 . 569 61 61 LYS HE3 H 2.813 0.02 . 570 61 61 LYS C C 178.730 0.1 . 571 61 61 LYS CA C 59.042 0.1 . 572 61 61 LYS CB C 32.642 0.1 . 573 61 61 LYS CG C 25.133 0.1 . 574 61 61 LYS N N 119.262 0.1 . 575 62 62 GLU H H 7.982 0.02 . 576 62 62 GLU HA H 3.935 0.02 . 577 62 62 GLU HB2 H 1.962 0.02 . 578 62 62 GLU HB3 H 1.881 0.02 . 579 62 62 GLU HG2 H 2.106 0.02 . 580 62 62 GLU HG3 H 2.106 0.02 . 581 62 62 GLU C C 178.424 0.1 . 582 62 62 GLU CA C 58.714 0.1 . 583 62 62 GLU CB C 29.230 0.1 . 584 62 62 GLU CG C 35.917 0.1 . 585 62 62 GLU N N 120.790 0.1 . 586 63 63 ILE H H 7.732 0.02 . 587 63 63 ILE HA H 3.689 0.02 . 588 63 63 ILE HB H 1.407 0.02 . 589 63 63 ILE HG12 H 0.585 0.02 . 590 63 63 ILE HG13 H 0.739 0.02 . 591 63 63 ILE HG2 H 0.499 0.02 . 592 63 63 ILE HD1 H 0.240 0.02 . 593 63 63 ILE C C 177.555 0.1 . 594 63 63 ILE CA C 61.499 0.1 . 595 63 63 ILE CB C 36.524 0.1 . 596 63 63 ILE CG1 C 27.481 0.1 . 597 63 63 ILE CG2 C 18.098 0.1 . 598 63 63 ILE CD1 C 11.414 0.1 . 599 63 63 ILE N N 118.463 0.1 . 600 64 64 GLY H H 7.661 0.02 . 601 64 64 GLY HA2 H 3.811 0.02 . 602 64 64 GLY HA3 H 3.811 0.02 . 603 64 64 GLY C C 175.271 0.1 . 604 64 64 GLY CA C 45.902 0.1 . 605 64 64 GLY N N 107.973 0.1 . 606 65 65 GLY H H 7.808 0.02 . 607 65 65 GLY HA2 H 3.834 0.02 . 608 65 65 GLY HA3 H 3.834 0.02 . 609 65 65 GLY C C 174.800 0.1 . 610 65 65 GLY CA C 45.646 0.1 . 611 65 65 GLY N N 108.464 0.1 . 612 66 66 GLU H H 8.203 0.02 . 613 66 66 GLU HA H 4.105 0.02 . 614 66 66 GLU HB2 H 1.952 0.02 . 615 66 66 GLU HB3 H 1.866 0.02 . 616 66 66 GLU HG2 H 2.110 0.02 . 617 66 66 GLU HG3 H 2.176 0.02 . 618 66 66 GLU C C 177.230 0.1 . 619 66 66 GLU CA C 57.224 0.1 . 620 66 66 GLU CB C 29.992 0.1 . 621 66 66 GLU CG C 36.344 0.1 . 622 66 66 GLU N N 121.162 0.1 . 623 67 67 SER H H 8.206 0.02 . 624 67 67 SER HA H 4.249 0.02 . 625 67 67 SER HB2 H 3.699 0.02 . 626 67 67 SER HB3 H 3.744 0.02 . 627 67 67 SER C C 174.640 0.1 . 628 67 67 SER CA C 58.930 0.1 . 629 67 67 SER CB C 63.912 0.1 . 630 67 67 SER N N 116.468 0.1 . 631 68 68 GLU H H 8.168 0.02 . 632 68 68 GLU HA H 4.153 0.02 . 633 68 68 GLU HB2 H 1.821 0.02 . 634 68 68 GLU HB3 H 2.002 0.02 . 635 68 68 GLU HG2 H 2.083 0.02 . 636 68 68 GLU HG3 H 2.083 0.02 . 637 68 68 GLU C C 176.349 0.1 . 638 68 68 GLU CA C 56.823 0.1 . 639 68 68 GLU CB C 29.981 0.1 . 640 68 68 GLU CG C 36.404 0.1 . 641 68 68 GLU N N 122.400 0.1 . 642 69 69 ALA H H 7.939 0.02 . 643 69 69 ALA HA H 4.188 0.02 . 644 69 69 ALA HB H 1.308 0.02 . 645 69 69 ALA C C 178.027 0.1 . 646 69 69 ALA CA C 52.558 0.1 . 647 69 69 ALA CB C 19.492 0.1 . 648 69 69 ALA N N 124.342 0.1 . 649 70 70 GLU H H 8.430 0.02 . 650 70 70 GLU HA H 4.114 0.02 . 651 70 70 GLU HB2 H 1.902 0.02 . 652 70 70 GLU HB3 H 1.902 0.02 . 653 70 70 GLU HG2 H 2.140 0.02 . 654 70 70 GLU HG3 H 2.175 0.02 . 655 70 70 GLU C C 176.519 0.1 . 656 70 70 GLU CA C 57.304 0.1 . 657 70 70 GLU CB C 29.827 0.1 . 658 70 70 GLU N N 121.059 0.1 . 659 71 71 ASP H H 8.305 0.02 . 660 71 71 ASP HA H 4.532 0.02 . 661 71 71 ASP HB2 H 2.608 0.02 . 662 71 71 ASP HB3 H 2.636 0.02 . 663 71 71 ASP C C 176.369 0.1 . 664 71 71 ASP CA C 54.251 0.1 . 665 71 71 ASP CB C 40.840 0.1 . 666 71 71 ASP N N 120.274 0.1 . 667 72 72 SER H H 7.964 0.02 . 668 72 72 SER HA H 4.241 0.02 . 669 72 72 SER HB2 H 3.807 0.02 . 670 72 72 SER HB3 H 3.852 0.02 . 671 72 72 SER C C 174.567 0.1 . 672 72 72 SER CA C 59.031 0.1 . 673 72 72 SER CB C 64.040 0.1 . 674 72 72 SER N N 116.165 0.1 . 675 73 73 ASP H H 8.392 0.02 . 676 73 73 ASP HA H 4.534 0.02 . 677 73 73 ASP HB2 H 2.654 0.02 . 678 73 73 ASP HB3 H 2.654 0.02 . 679 73 73 ASP C C 176.882 0.1 . 680 73 73 ASP CA C 54.443 0.1 . 681 73 73 ASP CB C 41.336 0.1 . 682 73 73 ASP N N 122.440 0.1 . 683 74 74 LYS H H 8.317 0.02 . 684 74 74 LYS HA H 4.093 0.02 . 685 74 74 LYS HB2 H 1.754 0.02 . 686 74 74 LYS HB3 H 1.845 0.02 . 687 74 74 LYS HG2 H 1.359 0.02 . 688 74 74 LYS HG3 H 1.429 0.02 . 689 74 74 LYS HD2 H 1.559 0.02 . 690 74 74 LYS HD3 H 1.559 0.02 . 691 74 74 LYS HE2 H 2.900 0.02 . 692 74 74 LYS HE3 H 2.810 0.02 . 693 74 74 LYS C C 177.608 0.1 . 694 74 74 LYS CA C 57.465 0.1 . 695 74 74 LYS CB C 32.146 0.1 . 696 74 74 LYS CG C 25.000 0.1 . 697 74 74 LYS CD C 29.236 0.1 . 698 74 74 LYS CE C 42.188 0.1 . 699 74 74 LYS N N 123.270 0.1 . 700 75 75 SER H H 8.387 0.02 . 701 75 75 SER HA H 4.197 0.02 . 702 75 75 SER HB2 H 3.847 0.02 . 703 75 75 SER HB3 H 3.847 0.02 . 704 75 75 SER C C 175.988 0.1 . 705 75 75 SER CA C 60.434 0.1 . 706 75 75 SER CB C 63.172 0.1 . 707 75 75 SER N N 116.557 0.1 . 708 76 76 LEU H H 8.059 0.02 . 709 76 76 LEU HA H 4.170 0.02 . 710 76 76 LEU HB2 H 1.431 0.02 . 711 76 76 LEU HB3 H 1.633 0.02 . 712 76 76 LEU HG H 1.538 0.02 . 713 76 76 LEU HD1 H 0.832 0.02 . 714 76 76 LEU HD2 H 0.761 0.02 . 715 76 76 LEU C C 178.083 0.1 . 716 76 76 LEU CA C 56.492 0.1 . 717 76 76 LEU CB C 41.697 0.1 . 718 76 76 LEU CG C 27.246 0.1 . 719 76 76 LEU CD1 C 25.274 0.1 . 720 76 76 LEU CD2 C 23.525 0.1 . 721 76 76 LEU N N 123.910 0.1 . 722 77 77 HIS H H 7.936 0.02 . 723 77 77 HIS HA H 4.288 0.02 . 724 77 77 HIS HB2 H 3.114 0.02 . 725 77 77 HIS HB3 H 3.114 0.02 . 726 77 77 HIS HD1 H 7.059 0.02 . 727 77 77 HIS HD2 H 6.998 0.02 . 728 77 77 HIS C C 177.667 0.1 . 729 77 77 HIS CA C 58.422 0.1 . 730 77 77 HIS CB C 30.264 0.1 . 731 77 77 HIS N N 120.620 0.1 . 732 78 78 VAL H H 7.916 0.02 . 733 78 78 VAL HA H 3.677 0.02 . 734 78 78 VAL HB H 2.031 0.02 . 735 78 78 VAL HG1 H 0.935 0.02 . 736 78 78 VAL HG2 H 0.809 0.02 . 737 78 78 VAL CA C 65.606 0.1 . 738 78 78 VAL CB C 31.864 0.1 . 739 78 78 VAL CG1 C 21.987 0.1 . 740 78 78 VAL CG2 C 20.943 0.1 . 741 78 78 VAL N N 121.774 0.1 . 742 79 79 MET H H 8.149 0.02 . 743 79 79 MET HA H 3.925 0.02 . 744 79 79 MET HB2 H 2.011 0.02 . 745 79 79 MET HB3 H 2.188 0.02 . 746 79 79 MET HG2 H 2.353 0.02 . 747 79 79 MET HG3 H 2.681 0.02 . 748 79 79 MET HE H 1.724 0.02 . 749 79 79 MET C C 177.077 0.1 . 750 79 79 MET CA C 58.862 0.1 . 751 79 79 MET CB C 32.852 0.1 . 752 79 79 MET CG C 32.866 0.1 . 753 79 79 MET N N 119.660 0.1 . 754 80 80 ASN H H 8.202 0.02 . 755 80 80 ASN HA H 4.138 0.02 . 756 80 80 ASN HB2 H 2.671 0.02 . 757 80 80 ASN HB3 H 2.774 0.02 . 758 80 80 ASN C C 178.133 0.1 . 759 80 80 ASN CA C 57.039 0.1 . 760 80 80 ASN CB C 38.996 0.1 . 761 80 80 ASN N N 117.337 0.1 . 762 81 81 THR H H 7.944 0.02 . 763 81 81 THR HA H 3.896 0.02 . 764 81 81 THR HB H 4.229 0.02 . 765 81 81 THR HG2 H 1.192 0.02 . 766 81 81 THR C C 175.186 0.1 . 767 81 81 THR CA C 66.221 0.1 . 768 81 81 THR CB C 69.087 0.1 . 769 81 81 THR CG2 C 22.398 0.1 . 770 81 81 THR N N 115.517 0.1 . 771 82 82 LEU H H 7.547 0.02 . 772 82 82 LEU HA H 3.981 0.02 . 773 82 82 LEU HB2 H 1.620 0.02 . 774 82 82 LEU HG H 1.238 0.02 . 775 82 82 LEU HD1 H 0.507 0.02 . 776 82 82 LEU HD2 H 0.162 0.02 . 777 82 82 LEU C C 177.583 0.1 . 778 82 82 LEU CA C 56.540 0.1 . 779 82 82 LEU CB C 41.793 0.1 . 780 82 82 LEU CD2 C 25.457 0.1 . 781 82 82 LEU N N 119.074 0.1 . 782 83 83 ILE H H 7.409 0.02 . 783 83 83 ILE HA H 3.843 0.02 . 784 83 83 ILE HB H 1.618 0.02 . 785 83 83 ILE HG12 H 0.624 0.02 . 786 83 83 ILE HG13 H 1.160 0.02 . 787 83 83 ILE HG2 H 0.207 0.02 . 788 83 83 ILE HD1 H 0.121 0.02 . 789 83 83 ILE C C 176.413 0.1 . 790 83 83 ILE CA C 62.727 0.1 . 791 83 83 ILE CB C 37.698 0.1 . 792 83 83 ILE CG1 C 28.004 0.1 . 793 83 83 ILE CG2 C 16.936 0.1 . 794 83 83 ILE CD1 C 12.301 0.1 . 795 83 83 ILE N N 118.085 0.1 . 796 84 84 HIS H H 7.194 0.02 . 797 84 84 HIS HA H 4.595 0.02 . 798 84 84 HIS HB2 H 2.981 0.02 . 799 84 84 HIS HB3 H 3.184 0.02 . 800 84 84 HIS HD2 H 7.305 0.02 . 801 84 84 HIS C C 175.707 0.1 . 802 84 84 HIS CA C 58.628 0.1 . 803 84 84 HIS CB C 31.403 0.1 . 804 84 84 HIS N N 116.152 0.1 . 805 85 85 ASP H H 8.505 0.02 . 806 85 85 ASP HA H 4.534 0.02 . 807 85 85 ASP HB2 H 2.453 0.02 . 808 85 85 ASP HB3 H 2.835 0.02 . 809 85 85 ASP C C 175.580 0.1 . 810 85 85 ASP CA C 53.345 0.1 . 811 85 85 ASP CB C 41.118 0.1 . 812 85 85 ASP N N 122.322 0.1 . 813 86 86 GLN H H 8.803 0.02 . 814 86 86 GLN HA H 3.963 0.02 . 815 86 86 GLN HB2 H 2.112 0.02 . 816 86 86 GLN HB3 H 2.165 0.02 . 817 86 86 GLN HG2 H 2.564 0.02 . 818 86 86 GLN HG3 H 2.564 0.02 . 819 86 86 GLN C C 178.581 0.1 . 820 86 86 GLN CA C 57.954 0.1 . 821 86 86 GLN CB C 28.894 0.1 . 822 86 86 GLN N N 122.783 0.1 . 823 87 87 GLU H H 8.072 0.02 . 824 87 87 GLU HA H 4.013 0.02 . 825 87 87 GLU HB2 H 2.026 0.02 . 826 87 87 GLU HB3 H 2.026 0.02 . 827 87 87 GLU HG2 H 2.655 0.02 . 828 87 87 GLU HG3 H 2.655 0.02 . 829 87 87 GLU C C 178.290 0.1 . 830 87 87 GLU CA C 59.038 0.1 . 831 87 87 GLU CB C 28.980 0.1 . 832 87 87 GLU N N 121.794 0.1 . 833 88 88 LYS H H 7.588 0.02 . 834 88 88 LYS HA H 3.755 0.02 . 835 88 88 LYS HB2 H 1.524 0.02 . 836 88 88 LYS HB3 H 1.524 0.02 . 837 88 88 LYS HG2 H 1.256 0.02 . 838 88 88 LYS HG3 H 1.256 0.02 . 839 88 88 LYS HD2 H 1.567 0.02 . 840 88 88 LYS HD3 H 1.567 0.02 . 841 88 88 LYS C C 180.040 0.1 . 842 88 88 LYS CA C 59.411 0.1 . 843 88 88 LYS CB C 32.007 0.1 . 844 88 88 LYS N N 119.345 0.1 . 845 89 89 ALA H H 8.500 0.02 . 846 89 89 ALA HA H 3.739 0.02 . 847 89 89 ALA HB H 1.519 0.02 . 848 89 89 ALA C C 177.457 0.1 . 849 89 89 ALA CA C 55.970 0.1 . 850 89 89 ALA CB C 18.656 0.1 . 851 89 89 ALA N N 123.933 0.1 . 852 90 90 LYS H H 6.845 0.02 . 853 90 90 LYS HA H 4.044 0.02 . 854 90 90 LYS HB2 H 1.989 0.02 . 855 90 90 LYS HB3 H 1.989 0.02 . 856 90 90 LYS HG2 H 1.257 0.02 . 857 90 90 LYS HG3 H 1.257 0.02 . 858 90 90 LYS HE2 H 2.828 0.02 . 859 90 90 LYS HE3 H 2.828 0.02 . 860 90 90 LYS C C 177.774 0.1 . 861 90 90 LYS CA C 59.078 0.1 . 862 90 90 LYS CB C 30.241 0.1 . 863 90 90 LYS N N 119.244 0.1 . 864 91 91 ILE H H 7.293 0.02 . 865 91 91 ILE HA H 3.398 0.02 . 866 91 91 ILE HB H 1.702 0.02 . 867 91 91 ILE HG12 H 1.585 0.02 . 868 91 91 ILE HG13 H 1.147 0.02 . 869 91 91 ILE HG2 H 0.804 0.02 . 870 91 91 ILE HD1 H 0.679 0.02 . 871 91 91 ILE C C 177.670 0.1 . 872 91 91 ILE CA C 63.998 0.1 . 873 91 91 ILE CB C 37.801 0.1 . 874 91 91 ILE CG1 C 28.706 0.1 . 875 91 91 ILE CG2 C 17.367 0.1 . 876 91 91 ILE CD1 C 12.297 0.1 . 877 91 91 ILE N N 117.718 0.1 . 878 92 92 TYR H H 8.016 0.02 . 879 92 92 TYR HA H 4.123 0.02 . 880 92 92 TYR HB2 H 2.915 0.02 . 881 92 92 TYR HB3 H 3.059 0.02 . 882 92 92 TYR HD1 H 6.609 0.02 . 883 92 92 TYR HD2 H 6.836 0.02 . 884 92 92 TYR HE1 H 6.557 0.02 . 885 92 92 TYR HE2 H 6.557 0.02 . 886 92 92 TYR C C 178.781 0.1 . 887 92 92 TYR CA C 61.642 0.1 . 888 92 92 TYR CB C 39.221 0.1 . 889 92 92 TYR N N 121.868 0.1 . 890 93 93 MET H H 8.464 0.02 . 891 93 93 MET HA H 3.952 0.02 . 892 93 93 MET HB2 H 1.979 0.02 . 893 93 93 MET HB3 H 1.979 0.02 . 894 93 93 MET HG2 H 2.549 0.02 . 895 93 93 MET HG3 H 2.549 0.02 . 896 93 93 MET HE H 1.602 0.02 . 897 93 93 MET C C 179.925 0.1 . 898 93 93 MET CA C 57.589 0.1 . 899 93 93 MET CB C 30.752 0.1 . 900 93 93 MET N N 118.984 0.1 . 901 94 94 LEU H H 8.927 0.02 . 902 94 94 LEU HA H 3.870 0.02 . 903 94 94 LEU HB2 H 1.980 0.02 . 904 94 94 LEU HB3 H 1.980 0.02 . 905 94 94 LEU HG H 1.561 0.02 . 906 94 94 LEU HD1 H 0.793 0.02 . 907 94 94 LEU HD2 H 0.837 0.02 . 908 94 94 LEU C C 177.937 0.1 . 909 94 94 LEU CA C 58.761 0.1 . 910 94 94 LEU CB C 41.762 0.1 . 911 94 94 LEU CG C 27.261 0.1 . 912 94 94 LEU N N 125.441 0.1 . 913 95 95 ASN H H 8.691 0.02 . 914 95 95 ASN HA H 4.262 0.02 . 915 95 95 ASN HB2 H 2.661 0.02 . 916 95 95 ASN HB3 H 2.800 0.02 . 917 95 95 ASN CA C 56.273 0.1 . 918 95 95 ASN CB C 37.605 0.1 . 919 95 95 ASN N N 119.066 0.1 . 920 96 96 PHE H H 8.317 0.02 . 921 96 96 PHE HA H 4.665 0.02 . 922 96 96 PHE HB2 H 2.737 0.02 . 923 96 96 PHE HB3 H 2.632 0.02 . 924 96 96 PHE HE1 H 7.179 0.02 . 925 96 96 PHE CA C 62.071 0.1 . 926 97 97 THR H H 8.214 0.02 . 927 97 97 THR HA H 3.338 0.02 . 928 97 97 THR HB H 3.785 0.02 . 929 97 97 THR HG2 H 0.222 0.02 . 930 97 97 THR C C 176.074 0.1 . 931 97 97 THR CA C 67.986 0.1 . 932 97 97 THR CG2 C 22.213 0.1 . 933 97 97 THR N N 118.178 0.1 . 934 98 98 MET H H 8.885 0.02 . 935 98 98 MET HA H 4.403 0.02 . 936 98 98 MET HB2 H 1.976 0.02 . 937 98 98 MET HB3 H 2.106 0.02 . 938 98 98 MET HG2 H 2.189 0.02 . 939 98 98 MET HG3 H 2.265 0.02 . 940 98 98 MET C C 178.696 0.1 . 941 98 98 MET CA C 57.029 0.1 . 942 98 98 MET CB C 29.898 0.1 . 943 98 98 MET CG C 34.197 0.1 . 944 98 98 MET N N 120.097 0.1 . 945 99 99 SER H H 7.515 0.02 . 946 99 99 SER HA H 4.199 0.02 . 947 99 99 SER HB2 H 3.769 0.02 . 948 99 99 SER HB3 H 3.769 0.02 . 949 99 99 SER C C 176.565 0.1 . 950 99 99 SER CA C 61.965 0.1 . 951 99 99 SER CB C 62.565 0.1 . 952 99 99 SER N N 114.959 0.1 . 953 100 100 LEU H H 7.400 0.02 . 954 100 100 LEU HA H 3.776 0.02 . 955 100 100 LEU HB2 H 1.313 0.02 . 956 100 100 LEU HB3 H 1.828 0.02 . 957 100 100 LEU HD1 H 0.955 0.02 . 958 100 100 LEU HD2 H 0.881 0.02 . 959 100 100 LEU C C 177.689 0.1 . 960 100 100 LEU CA C 58.057 0.1 . 961 100 100 LEU CB C 41.550 0.1 . 962 100 100 LEU CD1 C 26.656 0.1 . 963 100 100 LEU CD2 C 26.656 0.1 . 964 100 100 LEU N N 125.380 0.1 . 965 101 101 TYR H H 8.880 0.02 . 966 101 101 TYR HA H 4.116 0.02 . 967 101 101 TYR HB2 H 3.096 0.02 . 968 101 101 TYR HB3 H 3.166 0.02 . 969 101 101 TYR HD1 H 6.979 0.02 . 970 101 101 TYR HE1 H 6.665 0.02 . 971 101 101 TYR C C 176.825 0.1 . 972 101 101 TYR CA C 61.888 0.1 . 973 101 101 TYR CB C 38.993 0.1 . 974 101 101 TYR N N 120.597 0.1 . 975 102 102 ASN H H 8.543 0.02 . 976 102 102 ASN HA H 4.166 0.02 . 977 102 102 ASN HB2 H 2.663 0.02 . 978 102 102 ASN HB3 H 2.938 0.02 . 979 102 102 ASN C C 179.089 0.1 . 980 102 102 ASN CA C 56.212 0.1 . 981 102 102 ASN CB C 37.734 0.1 . 982 102 102 ASN N N 116.869 0.1 . 983 103 103 GLU H H 7.872 0.02 . 984 103 103 GLU HA H 3.986 0.02 . 985 103 103 GLU HB2 H 2.164 0.02 . 986 103 103 GLU HB3 H 2.164 0.02 . 987 103 103 GLU HG2 H 2.278 0.02 . 988 103 103 GLU HG3 H 2.278 0.02 . 989 103 103 GLU C C 179.968 0.1 . 990 103 103 GLU CA C 59.517 0.1 . 991 103 103 GLU CB C 29.550 0.1 . 992 103 103 GLU CG C 36.395 0.1 . 993 103 103 GLU N N 121.259 0.1 . 994 104 104 LYS H H 8.384 0.02 . 995 104 104 LYS HA H 4.046 0.02 . 996 104 104 LYS HB2 H 1.839 0.02 . 997 104 104 LYS HB3 H 1.839 0.02 . 998 104 104 LYS HG2 H 1.449 0.02 . 999 104 104 LYS HG3 H 1.449 0.02 . 1000 104 104 LYS HD2 H 1.587 0.02 . 1001 104 104 LYS HD3 H 1.587 0.02 . 1002 104 104 LYS C C 178.355 0.1 . 1003 104 104 LYS CA C 56.735 0.1 . 1004 104 104 LYS CB C 29.113 0.1 . 1005 104 104 LYS N N 120.268 0.1 . 1006 105 105 LEU H H 8.400 0.02 . 1007 105 105 LEU HA H 3.741 0.02 . 1008 105 105 LEU HB2 H 1.828 0.02 . 1009 105 105 LEU HB3 H 1.828 0.02 . 1010 105 105 LEU HG H 1.456 0.02 . 1011 105 105 LEU HD1 H 0.489 0.02 . 1012 105 105 LEU HD2 H 0.465 0.02 . 1013 105 105 LEU C C 180.552 0.1 . 1014 105 105 LEU CA C 58.172 0.1 . 1015 105 105 LEU CB C 41.030 0.1 . 1016 105 105 LEU CG C 27.025 0.1 . 1017 105 105 LEU CD1 C 24.621 0.1 . 1018 105 105 LEU CD2 C 23.049 0.1 . 1019 105 105 LEU N N 121.622 0.1 . 1020 106 106 LYS H H 7.067 0.02 . 1021 106 106 LYS HA H 3.914 0.02 . 1022 106 106 LYS HB2 H 1.754 0.02 . 1023 106 106 LYS HB3 H 1.846 0.02 . 1024 106 106 LYS HG2 H 1.312 0.02 . 1025 106 106 LYS HG3 H 1.440 0.02 . 1026 106 106 LYS HD2 H 1.476 0.02 . 1027 106 106 LYS HD3 H 1.476 0.02 . 1028 106 106 LYS HE2 H 2.727 0.02 . 1029 106 106 LYS HE3 H 2.887 0.02 . 1030 106 106 LYS C C 178.419 0.1 . 1031 106 106 LYS CA C 59.383 0.1 . 1032 106 106 LYS CB C 31.808 0.1 . 1033 106 106 LYS CG C 24.966 0.1 . 1034 106 106 LYS N N 119.498 0.1 . 1035 107 107 GLN H H 7.460 0.02 . 1036 107 107 GLN HA H 3.851 0.02 . 1037 107 107 GLN HB2 H 2.001 0.02 . 1038 107 107 GLN HB3 H 2.001 0.02 . 1039 107 107 GLN HG2 H 2.104 0.02 . 1040 107 107 GLN HG3 H 2.104 0.02 . 1041 107 107 GLN C C 177.935 0.1 . 1042 107 107 GLN CA C 58.481 0.1 . 1043 107 107 GLN CB C 26.798 0.1 . 1044 107 107 GLN N N 121.405 0.1 . 1045 108 108 LEU H H 8.208 0.02 . 1046 108 108 LEU HA H 3.801 0.02 . 1047 108 108 LEU HB2 H 1.693 0.02 . 1048 108 108 LEU HB3 H 1.693 0.02 . 1049 108 108 LEU HG H 1.156 0.02 . 1050 108 108 LEU HD1 H 0.248 0.02 . 1051 108 108 LEU HD2 H 0.711 0.02 . 1052 108 108 LEU C C 179.195 0.1 . 1053 108 108 LEU CA C 58.393 0.1 . 1054 108 108 LEU CB C 41.266 0.1 . 1055 108 108 LEU CG C 27.113 0.1 . 1056 108 108 LEU CD1 C 24.924 0.1 . 1057 108 108 LEU CD2 C 22.910 0.1 . 1058 108 108 LEU N N 119.561 0.1 . 1059 109 109 LYS H H 7.168 0.02 . 1060 109 109 LYS HA H 4.252 0.02 . 1061 109 109 LYS HB2 H 1.870 0.02 . 1062 109 109 LYS HB3 H 1.870 0.02 . 1063 109 109 LYS HG2 H 1.486 0.02 . 1064 109 109 LYS HG3 H 1.486 0.02 . 1065 109 109 LYS HE2 H 2.826 0.02 . 1066 109 109 LYS HE3 H 2.826 0.02 . 1067 109 109 LYS C C 177.726 0.1 . 1068 109 109 LYS CA C 58.730 0.1 . 1069 109 109 LYS CB C 32.410 0.1 . 1070 109 109 LYS CG C 24.578 0.1 . 1071 109 109 LYS CD C 29.130 0.1 . 1072 109 109 LYS N N 118.535 0.1 . 1073 110 110 ASP H H 7.861 0.02 . 1074 110 110 ASP HA H 4.605 0.02 . 1075 110 110 ASP HB2 H 2.408 0.02 . 1076 110 110 ASP HB3 H 2.590 0.02 . 1077 110 110 ASP C C 177.360 0.1 . 1078 110 110 ASP CA C 55.896 0.1 . 1079 110 110 ASP CB C 42.577 0.1 . 1080 110 110 ASP N N 117.463 0.1 . 1081 111 111 GLY H H 8.479 0.02 . 1082 111 111 GLY HA2 H 3.781 0.02 . 1083 111 111 GLY HA3 H 3.781 0.02 . 1084 111 111 GLY CA C 42.052 0.1 . 1085 111 111 GLY N N 113.059 0.1 . 1086 112 112 PRO HA H 4.463 0.02 . 1087 112 112 PRO HB2 H 1.603 0.02 . 1088 112 112 PRO HB3 H 2.245 0.02 . 1089 112 112 PRO HG2 H 1.615 0.02 . 1090 112 112 PRO HG3 H 1.738 0.02 . 1091 112 112 PRO HD2 H 3.556 0.02 . 1092 112 112 PRO HD3 H 3.692 0.02 . 1093 112 112 PRO C C 175.090 0.1 . 1094 112 112 PRO CA C 61.364 0.1 . 1095 112 112 PRO CB C 34.850 0.1 . 1096 112 112 PRO CD C 50.726 0.1 . 1097 113 113 TRP H H 8.687 0.02 . 1098 113 113 TRP HA H 4.710 0.02 . 1099 113 113 TRP HB2 H 2.960 0.02 . 1100 113 113 TRP HB3 H 3.308 0.02 . 1101 113 113 TRP HD1 H 6.737 0.02 . 1102 113 113 TRP HE1 H 10.308 0.02 . 1103 113 113 TRP HE3 H 7.661 0.02 . 1104 113 113 TRP HZ2 H 7.133 0.02 . 1105 113 113 TRP C C 174.605 0.1 . 1106 113 113 TRP CA C 57.905 0.1 . 1107 113 113 TRP CB C 27.293 0.1 . 1108 113 113 TRP N N 123.164 0.1 . 1109 113 113 TRP NE1 N 130.830 0.1 . 1110 114 114 ASP H H 6.985 0.02 . 1111 114 114 ASP HA H 4.861 0.02 . 1112 114 114 ASP HB2 H 2.575 0.02 . 1113 114 114 ASP HB3 H 3.143 0.02 . 1114 114 114 ASP CA C 52.249 0.1 . 1115 114 114 ASP CB C 43.141 0.1 . 1116 114 114 ASP N N 121.356 0.1 . 1117 115 115 VAL H H 8.206 0.02 . 1118 115 115 VAL HA H 3.842 0.02 . 1119 115 115 VAL HB H 2.114 0.02 . 1120 115 115 VAL HG1 H 1.027 0.02 . 1121 115 115 VAL HG2 H 0.947 0.02 . 1122 115 115 VAL C C 177.739 0.1 . 1123 115 115 VAL CA C 65.569 0.1 . 1124 115 115 VAL CB C 31.677 0.1 . 1125 115 115 VAL CG1 C 21.980 0.1 . 1126 115 115 VAL CG2 C 20.866 0.1 . 1127 115 115 VAL N N 118.649 0.1 . 1128 116 116 MET H H 7.642 0.02 . 1129 116 116 MET HA H 4.303 0.02 . 1130 116 116 MET HB2 H 2.013 0.02 . 1131 116 116 MET HB3 H 2.162 0.02 . 1132 116 116 MET HG2 H 2.515 0.02 . 1133 116 116 MET HG3 H 2.605 0.02 . 1134 116 116 MET HE H 1.723 0.02 . 1135 116 116 MET C C 179.269 0.1 . 1136 116 116 MET CA C 57.634 0.1 . 1137 116 116 MET CB C 30.414 0.1 . 1138 116 116 MET CG C 33.073 0.1 . 1139 116 116 MET N N 120.401 0.1 . 1140 117 117 LEU H H 8.157 0.02 . 1141 117 117 LEU HA H 4.245 0.02 . 1142 117 117 LEU HB2 H 1.555 0.02 . 1143 117 117 LEU HB3 H 1.555 0.02 . 1144 117 117 LEU HG H 1.069 0.02 . 1145 117 117 LEU HD2 H 0.822 0.02 . 1146 117 117 LEU C C 178.445 0.1 . 1147 117 117 LEU CA C 58.200 0.1 . 1148 117 117 LEU CB C 40.089 0.1 . 1149 117 117 LEU CG C 27.276 0.1 . 1150 117 117 LEU CD1 C 25.405 0.1 . 1151 117 117 LEU CD2 C 22.411 0.1 . 1152 117 117 LEU N N 125.503 0.1 . 1153 118 118 LYS H H 7.400 0.02 . 1154 118 118 LYS HA H 3.805 0.02 . 1155 118 118 LYS HB2 H 2.060 0.02 . 1156 118 118 LYS HB3 H 2.060 0.02 . 1157 118 118 LYS HG2 H 1.642 0.02 . 1158 118 118 LYS HG3 H 1.642 0.02 . 1159 118 118 LYS HD2 H 1.750 0.02 . 1160 118 118 LYS HD3 H 1.750 0.02 . 1161 118 118 LYS HE2 H 2.939 0.02 . 1162 118 118 LYS HE3 H 2.939 0.02 . 1163 118 118 LYS C C 178.251 0.1 . 1164 118 118 LYS CA C 60.526 0.1 . 1165 118 118 LYS CB C 32.128 0.1 . 1166 118 118 LYS CG C 25.779 0.1 . 1167 118 118 LYS CD C 30.240 0.1 . 1168 118 118 LYS CE C 42.037 0.1 . 1169 118 118 LYS N N 119.052 0.1 . 1170 119 119 ARG H H 8.265 0.02 . 1171 119 119 ARG HA H 4.220 0.02 . 1172 119 119 ARG HB2 H 1.956 0.02 . 1173 119 119 ARG HB3 H 2.001 0.02 . 1174 119 119 ARG HG2 H 1.643 0.02 . 1175 119 119 ARG HG3 H 1.806 0.02 . 1176 119 119 ARG HD2 H 3.138 0.02 . 1177 119 119 ARG HD3 H 3.138 0.02 . 1178 119 119 ARG C C 180.441 0.1 . 1179 119 119 ARG CA C 59.817 0.1 . 1180 119 119 ARG CB C 30.085 0.1 . 1181 119 119 ARG CG C 27.727 0.1 . 1182 119 119 ARG CD C 43.775 0.1 . 1183 119 119 ARG N N 117.999 0.1 . 1184 120 120 SER H H 8.633 0.02 . 1185 120 120 SER HA H 4.182 0.02 . 1186 120 120 SER HB2 H 3.719 0.02 . 1187 120 120 SER HB3 H 3.719 0.02 . 1188 120 120 SER C C 176.215 0.1 . 1189 120 120 SER CA C 62.817 0.1 . 1190 120 120 SER CB C 63.550 0.1 . 1191 120 120 SER N N 118.073 0.1 . 1192 121 121 LEU H H 8.313 0.02 . 1193 121 121 LEU HA H 4.219 0.02 . 1194 121 121 LEU HB2 H 1.461 0.02 . 1195 121 121 LEU HB3 H 1.847 0.02 . 1196 121 121 LEU HD1 H 0.825 0.02 . 1197 121 121 LEU HD2 H 0.985 0.02 . 1198 121 121 LEU C C 179.679 0.1 . 1199 121 121 LEU CA C 58.849 0.1 . 1200 121 121 LEU CB C 40.774 0.1 . 1201 121 121 LEU N N 125.029 0.1 . 1202 122 122 TRP H H 7.928 0.02 . 1203 122 122 TRP HA H 4.340 0.02 . 1204 122 122 TRP HB2 H 2.943 0.02 . 1205 122 122 TRP HB3 H 3.292 0.02 . 1206 122 122 TRP HD1 H 7.115 0.02 . 1207 122 122 TRP HE1 H 10.164 0.02 . 1208 122 122 TRP HE3 H 6.676 0.02 . 1209 122 122 TRP HZ2 H 7.380 0.02 . 1210 122 122 TRP HZ3 H 7.070 0.02 . 1211 122 122 TRP C C 177.527 0.1 . 1212 122 122 TRP CA C 61.758 0.1 . 1213 122 122 TRP CB C 29.648 0.1 . 1214 122 122 TRP N N 120.217 0.1 . 1215 122 122 TRP NE1 N 128.947 0.1 . 1216 123 123 CYS H H 8.273 0.02 . 1217 123 123 CYS HA H 4.207 0.02 . 1218 123 123 CYS HB2 H 3.232 0.02 . 1219 123 123 CYS HB3 H 3.371 0.02 . 1220 123 123 CYS HG H 2.030 0.02 . 1221 123 123 CYS C C 177.057 0.1 . 1222 123 123 CYS CA C 62.600 0.1 . 1223 123 123 CYS CB C 25.899 0.1 . 1224 123 123 CYS N N 119.669 0.1 . 1225 124 124 CYS H H 8.122 0.02 . 1226 124 124 CYS HA H 3.848 0.02 . 1227 124 124 CYS HB2 H 2.594 0.02 . 1228 124 124 CYS HB3 H 3.305 0.02 . 1229 124 124 CYS C C 175.759 0.1 . 1230 124 124 CYS CA C 65.653 0.1 . 1231 124 124 CYS CB C 27.517 0.1 . 1232 124 124 CYS N N 116.898 0.1 . 1233 125 125 ILE H H 8.092 0.02 . 1234 125 125 ILE HA H 3.588 0.02 . 1235 125 125 ILE HB H 1.802 0.02 . 1236 125 125 ILE HG12 H 0.791 0.02 . 1237 125 125 ILE HG13 H 1.064 0.02 . 1238 125 125 ILE HG2 H 0.919 0.02 . 1239 125 125 ILE HD1 H 0.056 0.02 . 1240 125 125 ILE C C 179.337 0.1 . 1241 125 125 ILE CA C 67.594 0.1 . 1242 125 125 ILE CB C 37.679 0.1 . 1243 125 125 ILE CG1 C 30.817 0.1 . 1244 125 125 ILE CG2 C 16.745 0.1 . 1245 125 125 ILE CD1 C 15.139 0.1 . 1246 125 125 ILE N N 120.498 0.1 . 1247 126 126 ASP H H 9.049 0.02 . 1248 126 126 ASP HA H 4.617 0.02 . 1249 126 126 ASP HB2 H 2.885 0.02 . 1250 126 126 ASP HB3 H 2.885 0.02 . 1251 126 126 ASP C C 178.299 0.1 . 1252 126 126 ASP CA C 59.004 0.1 . 1253 126 126 ASP CB C 40.296 0.1 . 1254 126 126 ASP N N 125.084 0.1 . 1255 127 127 LEU H H 8.888 0.02 . 1256 127 127 LEU HA H 3.867 0.02 . 1257 127 127 LEU HB2 H 1.785 0.02 . 1258 127 127 LEU HB3 H 1.785 0.02 . 1259 127 127 LEU HG H 1.027 0.02 . 1260 127 127 LEU HD1 H 0.951 0.02 . 1261 127 127 LEU HD2 H 0.684 0.02 . 1262 127 127 LEU C C 179.655 0.1 . 1263 127 127 LEU CA C 58.661 0.1 . 1264 127 127 LEU CB C 42.194 0.1 . 1265 127 127 LEU CG C 27.166 0.1 . 1266 127 127 LEU N N 122.591 0.1 . 1267 128 128 PHE H H 8.947 0.02 . 1268 128 128 PHE HA H 4.322 0.02 . 1269 128 128 PHE HB2 H 3.343 0.02 . 1270 128 128 PHE HB3 H 2.861 0.02 . 1271 128 128 PHE HD1 H 6.914 0.02 . 1272 128 128 PHE HD2 H 6.914 0.02 . 1273 128 128 PHE HE1 H 6.763 0.02 . 1274 128 128 PHE HE2 H 6.763 0.02 . 1275 128 128 PHE C C 178.533 0.1 . 1276 128 128 PHE CA C 60.932 0.1 . 1277 128 128 PHE CB C 39.053 0.1 . 1278 128 128 PHE N N 117.498 0.1 . 1279 129 129 SER H H 8.578 0.02 . 1280 129 129 SER HA H 4.046 0.02 . 1281 129 129 SER C C 175.168 0.1 . 1282 129 129 SER CA C 63.015 0.1 . 1283 129 129 SER N N 115.398 0.1 . 1284 130 130 CYS H H 8.289 0.02 . 1285 130 130 CYS HA H 4.109 0.02 . 1286 130 130 CYS HB2 H 2.420 0.02 . 1287 130 130 CYS HB3 H 3.253 0.02 . 1288 130 130 CYS C C 175.294 0.1 . 1289 130 130 CYS CA C 61.438 0.1 . 1290 130 130 CYS CB C 27.050 0.1 . 1291 130 130 CYS N N 125.556 0.1 . 1292 131 131 ILE H H 7.943 0.02 . 1293 131 131 ILE HA H 4.033 0.02 . 1294 131 131 ILE HB H 1.981 0.02 . 1295 131 131 ILE HG12 H 1.537 0.02 . 1296 131 131 ILE HG13 H 1.537 0.02 . 1297 131 131 ILE HG2 H 0.887 0.02 . 1298 131 131 ILE HD1 H 0.743 0.02 . 1299 131 131 ILE C C 177.297 0.1 . 1300 131 131 ILE CA C 64.652 0.1 . 1301 131 131 ILE CB C 39.102 0.1 . 1302 131 131 ILE CG1 C 29.875 0.1 . 1303 131 131 ILE CG2 C 17.362 0.1 . 1304 131 131 ILE CD1 C 14.595 0.1 . 1305 131 131 ILE N N 120.232 0.1 . 1306 132 132 LEU H H 7.846 0.02 . 1307 132 132 LEU HA H 3.845 0.02 . 1308 132 132 LEU HB2 H 1.781 0.02 . 1309 132 132 LEU HB3 H 1.840 0.02 . 1310 132 132 LEU HG H 1.454 0.02 . 1311 132 132 LEU HD1 H 0.890 0.02 . 1312 132 132 LEU HD2 H 0.765 0.02 . 1313 132 132 LEU C C 177.816 0.1 . 1314 132 132 LEU CA C 57.078 0.1 . 1315 132 132 LEU CB C 42.213 0.1 . 1316 132 132 LEU N N 116.422 0.1 . 1317 133 133 HIS H H 7.822 0.02 . 1318 133 133 HIS HA H 4.139 0.02 . 1319 133 133 HIS HB2 H 3.001 0.02 . 1320 133 133 HIS HB3 H 3.001 0.02 . 1321 133 133 HIS HD2 H 6.645 0.02 . 1322 133 133 HIS HE1 H 6.374 0.02 . 1323 133 133 HIS C C 178.669 0.1 . 1324 133 133 HIS CA C 59.736 0.1 . 1325 133 133 HIS CB C 33.152 0.1 . 1326 133 133 HIS N N 116.929 0.1 . 1327 134 134 LEU H H 8.688 0.02 . 1328 134 134 LEU HA H 3.733 0.02 . 1329 134 134 LEU HB2 H 1.655 0.02 . 1330 134 134 LEU HB3 H 1.562 0.02 . 1331 134 134 LEU HG H 0.520 0.02 . 1332 134 134 LEU HD1 H 0.726 0.02 . 1333 134 134 LEU HD2 H 0.595 0.02 . 1334 134 134 LEU C C 179.402 0.1 . 1335 134 134 LEU CA C 57.227 0.1 . 1336 134 134 LEU CB C 39.539 0.1 . 1337 134 134 LEU CG C 27.675 0.1 . 1338 134 134 LEU CD1 C 26.330 0.1 . 1339 134 134 LEU CD2 C 22.002 0.1 . 1340 134 134 LEU N N 116.898 0.1 . 1341 135 135 TRP H H 7.638 0.02 . 1342 135 135 TRP HA H 5.008 0.02 . 1343 135 135 TRP HB2 H 2.978 0.02 . 1344 135 135 TRP HB3 H 3.508 0.02 . 1345 135 135 TRP HD1 H 6.680 0.02 . 1346 135 135 TRP HE1 H 10.140 0.02 . 1347 135 135 TRP HZ2 H 7.239 0.02 . 1348 135 135 TRP HZ3 H 6.621 0.02 . 1349 135 135 TRP HH2 H 6.974 0.02 . 1350 135 135 TRP C C 175.022 0.1 . 1351 135 135 TRP CA C 59.426 0.1 . 1352 135 135 TRP CB C 27.085 0.1 . 1353 135 135 TRP N N 115.602 0.1 . 1354 135 135 TRP NE1 N 130.875 0.1 . 1355 136 136 LYS H H 6.538 0.02 . 1356 136 136 LYS HA H 3.816 0.02 . 1357 136 136 LYS HB2 H 1.733 0.02 . 1358 136 136 LYS HB3 H 2.103 0.02 . 1359 136 136 LYS HG2 H 1.219 0.02 . 1360 136 136 LYS HG3 H 1.353 0.02 . 1361 136 136 LYS HD2 H 1.712 0.02 . 1362 136 136 LYS HD3 H 1.712 0.02 . 1363 136 136 LYS HE2 H 2.942 0.02 . 1364 136 136 LYS HE3 H 2.942 0.02 . 1365 136 136 LYS C C 178.279 0.1 . 1366 136 136 LYS CA C 60.193 0.1 . 1367 136 136 LYS CB C 33.057 0.1 . 1368 136 136 LYS CG C 23.591 0.1 . 1369 136 136 LYS CD C 29.595 0.1 . 1370 136 136 LYS CE C 42.060 0.1 . 1371 136 136 LYS N N 119.721 0.1 . 1372 137 137 GLU H H 8.596 0.02 . 1373 137 137 GLU HA H 4.167 0.02 . 1374 137 137 GLU HB2 H 1.797 0.02 . 1375 137 137 GLU HB3 H 1.797 0.02 . 1376 137 137 GLU HG2 H 2.177 0.02 . 1377 137 137 GLU HG3 H 2.177 0.02 . 1378 137 137 GLU C C 176.700 0.1 . 1379 137 137 GLU CA C 57.850 0.1 . 1380 137 137 GLU CB C 29.160 0.1 . 1381 137 137 GLU CG C 36.561 0.1 . 1382 137 137 GLU N N 115.407 0.1 . 1383 138 138 ASN H H 8.343 0.02 . 1384 138 138 ASN HA H 4.906 0.02 . 1385 138 138 ASN HB2 H 2.558 0.02 . 1386 138 138 ASN HB3 H 3.035 0.02 . 1387 138 138 ASN HD21 H 7.673 0.02 . 1388 138 138 ASN HD22 H 6.884 0.02 . 1389 138 138 ASN C C 173.481 0.1 . 1390 138 138 ASN CA C 52.814 0.1 . 1391 138 138 ASN CB C 40.837 0.1 . 1392 138 138 ASN N N 116.669 0.1 . 1393 138 138 ASN ND2 N 112.507 0.1 . 1394 139 139 ILE H H 7.167 0.02 . 1395 139 139 ILE HA H 4.344 0.02 . 1396 139 139 ILE HB H 1.533 0.02 . 1397 139 139 ILE HG12 H 0.837 0.02 . 1398 139 139 ILE HG13 H 1.071 0.02 . 1399 139 139 ILE HG2 H 0.835 0.02 . 1400 139 139 ILE HD1 H 0.799 0.02 . 1401 139 139 ILE C C 175.241 0.1 . 1402 139 139 ILE CA C 60.792 0.1 . 1403 139 139 ILE CB C 40.274 0.1 . 1404 139 139 ILE CG1 C 27.454 0.1 . 1405 139 139 ILE CG2 C 18.243 0.1 . 1406 139 139 ILE CD1 C 14.987 0.1 . 1407 139 139 ILE N N 120.703 0.1 . 1408 140 140 SER H H 8.727 0.02 . 1409 140 140 SER HA H 4.345 0.02 . 1410 140 140 SER CA C 58.095 0.1 . 1411 140 140 SER CB C 65.370 0.1 . 1412 140 140 SER N N 123.284 0.1 . 1413 141 141 GLU HG2 H 2.197 0.02 . 1414 141 141 GLU HG3 H 2.197 0.02 . 1415 142 142 THR H H 8.243 0.02 . 1416 142 142 THR HA H 3.976 0.02 . 1417 142 142 THR HB H 4.011 0.02 . 1418 142 142 THR HG2 H 1.177 0.02 . 1419 142 142 THR C C 177.559 0.1 . 1420 142 142 THR CA C 66.007 0.1 . 1421 142 142 THR CB C 68.530 0.1 . 1422 142 142 THR CG2 C 22.014 0.1 . 1423 142 142 THR N N 113.868 0.1 . 1424 143 143 SER H H 7.915 0.02 . 1425 143 143 SER C C 175.844 0.1 . 1426 143 143 SER CA C 62.102 0.1 . 1427 143 143 SER CB C 63.086 0.1 . 1428 143 143 SER N N 120.786 0.1 . 1429 144 144 THR H H 8.746 0.02 . 1430 144 144 THR HA H 4.299 0.02 . 1431 144 144 THR HG2 H 1.062 0.02 . 1432 144 144 THR C C 175.874 0.1 . 1433 144 144 THR CA C 67.487 0.1 . 1434 144 144 THR CB C 68.485 0.1 . 1435 144 144 THR CG2 C 20.784 0.1 . 1436 144 144 THR N N 120.946 0.1 . 1437 145 145 ASN H H 7.940 0.02 . 1438 145 145 ASN HA H 4.308 0.02 . 1439 145 145 ASN HB2 H 2.702 0.02 . 1440 145 145 ASN HB3 H 2.827 0.02 . 1441 145 145 ASN HD21 H 7.613 0.02 . 1442 145 145 ASN HD22 H 7.016 0.02 . 1443 145 145 ASN C C 177.917 0.1 . 1444 145 145 ASN CA C 56.337 0.1 . 1445 145 145 ASN CB C 38.100 0.1 . 1446 145 145 ASN N N 120.069 0.1 . 1447 145 145 ASN ND2 N 113.131 0.1 . 1448 146 146 SER H H 7.951 0.02 . 1449 146 146 SER HA H 3.936 0.02 . 1450 146 146 SER HB2 H 3.793 0.02 . 1451 146 146 SER HB3 H 3.793 0.02 . 1452 146 146 SER C C 176.963 0.1 . 1453 146 146 SER CA C 61.997 0.1 . 1454 146 146 SER CB C 62.879 0.1 . 1455 146 146 SER N N 116.905 0.1 . 1456 147 147 LEU H H 8.168 0.02 . 1457 147 147 LEU HA H 3.875 0.02 . 1458 147 147 LEU HB2 H 1.817 0.02 . 1459 147 147 LEU HB3 H 1.817 0.02 . 1460 147 147 LEU HG H 1.481 0.02 . 1461 147 147 LEU HD1 H 0.948 0.02 . 1462 147 147 LEU HD2 H 0.773 0.02 . 1463 147 147 LEU C C 178.726 0.1 . 1464 147 147 LEU CA C 58.580 0.1 . 1465 147 147 LEU CB C 40.860 0.1 . 1466 147 147 LEU N N 123.253 0.1 . 1467 148 148 GLN H H 8.295 0.02 . 1468 148 148 GLN HA H 3.817 0.02 . 1469 148 148 GLN HB2 H 2.136 0.02 . 1470 148 148 GLN HB3 H 2.136 0.02 . 1471 148 148 GLN HG2 H 2.240 0.02 . 1472 148 148 GLN HG3 H 2.514 0.02 . 1473 148 148 GLN HE21 H 7.105 0.02 . 1474 148 148 GLN HE22 H 6.687 0.02 . 1475 148 148 GLN C C 179.686 0.1 . 1476 148 148 GLN CA C 59.243 0.1 . 1477 148 148 GLN CB C 27.720 0.1 . 1478 148 148 GLN CG C 33.853 0.1 . 1479 148 148 GLN N N 118.212 0.1 . 1480 148 148 GLN NE2 N 110.807 0.1 . 1481 149 149 LYS H H 7.955 0.02 . 1482 149 149 LYS HA H 3.901 0.02 . 1483 149 149 LYS HB2 H 1.667 0.02 . 1484 149 149 LYS HB3 H 1.756 0.02 . 1485 149 149 LYS HG2 H 1.173 0.02 . 1486 149 149 LYS HG3 H 1.173 0.02 . 1487 149 149 LYS HE2 H 2.789 0.02 . 1488 149 149 LYS HE3 H 2.789 0.02 . 1489 149 149 LYS C C 178.006 0.1 . 1490 149 149 LYS CA C 59.532 0.1 . 1491 149 149 LYS CB C 31.892 0.1 . 1492 149 149 LYS CG C 25.282 0.1 . 1493 149 149 LYS CD C 29.474 0.1 . 1494 149 149 LYS CE C 42.017 0.1 . 1495 149 149 LYS N N 120.770 0.1 . 1496 150 150 ARG H H 7.020 0.02 . 1497 150 150 ARG HA H 3.840 0.02 . 1498 150 150 ARG HB2 H 1.739 0.02 . 1499 150 150 ARG HB3 H 1.739 0.02 . 1500 150 150 ARG HG2 H 1.484 0.02 . 1501 150 150 ARG HG3 H 1.484 0.02 . 1502 150 150 ARG HD2 H 3.333 0.02 . 1503 150 150 ARG HD3 H 3.333 0.02 . 1504 150 150 ARG C C 178.858 0.1 . 1505 150 150 ARG CA C 59.371 0.1 . 1506 150 150 ARG CB C 28.804 0.1 . 1507 150 150 ARG N N 119.244 0.1 . 1508 151 151 ILE H H 7.574 0.02 . 1509 151 151 ILE HA H 3.359 0.02 . 1510 151 151 ILE HB H 1.792 0.02 . 1511 151 151 ILE HG2 H 0.821 0.02 . 1512 151 151 ILE HD1 H 0.748 0.02 . 1513 151 151 ILE C C 177.327 0.1 . 1514 151 151 ILE CA C 67.196 0.1 . 1515 151 151 ILE CB C 38.272 0.1 . 1516 151 151 ILE CG2 C 17.822 0.1 . 1517 151 151 ILE CD1 C 14.864 0.1 . 1518 151 151 ILE N N 121.183 0.1 . 1519 152 152 LYS H H 7.629 0.02 . 1520 152 152 LYS HA H 3.773 0.02 . 1521 152 152 LYS HB2 H 1.800 0.02 . 1522 152 152 LYS HB3 H 1.800 0.02 . 1523 152 152 LYS HG2 H 1.512 0.02 . 1524 152 152 LYS HG3 H 1.512 0.02 . 1525 152 152 LYS HE2 H 2.760 0.02 . 1526 152 152 LYS HE3 H 2.760 0.02 . 1527 152 152 LYS C C 178.016 0.1 . 1528 152 152 LYS CA C 59.830 0.1 . 1529 152 152 LYS CB C 31.581 0.1 . 1530 152 152 LYS CG C 25.260 0.1 . 1531 152 152 LYS CD C 29.747 0.1 . 1532 152 152 LYS N N 119.521 0.1 . 1533 153 153 TYR H H 8.407 0.02 . 1534 153 153 TYR HA H 4.072 0.02 . 1535 153 153 TYR HB2 H 3.201 0.02 . 1536 153 153 TYR HB3 H 3.283 0.02 . 1537 153 153 TYR HD1 H 6.839 0.02 . 1538 153 153 TYR HD2 H 7.012 0.02 . 1539 153 153 TYR HE1 H 6.657 0.02 . 1540 153 153 TYR HE2 H 6.638 0.02 . 1541 153 153 TYR C C 178.195 0.1 . 1542 153 153 TYR CA C 61.316 0.1 . 1543 153 153 TYR CB C 37.273 0.1 . 1544 153 153 TYR N N 120.178 0.1 . 1545 154 154 CYS H H 8.291 0.02 . 1546 154 154 CYS HA H 4.072 0.02 . 1547 154 154 CYS HB2 H 3.287 0.02 . 1548 154 154 CYS HB3 H 3.287 0.02 . 1549 154 154 CYS C C 176.827 0.1 . 1550 154 154 CYS CA C 65.780 0.1 . 1551 154 154 CYS CB C 28.160 0.1 . 1552 154 154 CYS N N 117.013 0.1 . 1553 155 155 LYS H H 7.934 0.02 . 1554 155 155 LYS HA H 3.671 0.02 . 1555 155 155 LYS HB2 H 1.780 0.02 . 1556 155 155 LYS HB3 H 1.780 0.02 . 1557 155 155 LYS HG2 H 1.472 0.02 . 1558 155 155 LYS HG3 H 1.472 0.02 . 1559 155 155 LYS HD2 H 1.548 0.02 . 1560 155 155 LYS HD3 H 1.548 0.02 . 1561 155 155 LYS HE2 H 2.693 0.02 . 1562 155 155 LYS HE3 H 2.850 0.02 . 1563 155 155 LYS HZ H 7.532 0.02 . 1564 155 155 LYS C C 179.904 0.1 . 1565 155 155 LYS CA C 60.484 0.1 . 1566 155 155 LYS CB C 31.943 0.1 . 1567 155 155 LYS N N 118.753 0.1 . 1568 156 156 ILE H H 8.314 0.02 . 1569 156 156 ILE HA H 3.584 0.02 . 1570 156 156 ILE HB H 1.752 0.02 . 1571 156 156 ILE HG12 H 0.941 0.02 . 1572 156 156 ILE HG13 H 0.941 0.02 . 1573 156 156 ILE HG2 H 0.543 0.02 . 1574 156 156 ILE HD1 H 0.617 0.02 . 1575 156 156 ILE C C 179.501 0.1 . 1576 156 156 ILE CA C 65.240 0.1 . 1577 156 156 ILE CB C 37.642 0.1 . 1578 156 156 ILE CG1 C 29.043 0.1 . 1579 156 156 ILE CG2 C 16.677 0.1 . 1580 156 156 ILE CD1 C 13.482 0.1 . 1581 156 156 ILE N N 123.873 0.1 . 1582 157 157 TYR H H 8.442 0.02 . 1583 157 157 TYR HA H 4.165 0.02 . 1584 157 157 TYR HB2 H 2.811 0.02 . 1585 157 157 TYR HB3 H 2.811 0.02 . 1586 157 157 TYR HD1 H 6.804 0.02 . 1587 157 157 TYR HD2 H 6.961 0.02 . 1588 157 157 TYR HE1 H 6.637 0.02 . 1589 157 157 TYR HE2 H 6.681 0.02 . 1590 157 157 TYR C C 178.558 0.1 . 1591 157 157 TYR CA C 62.110 0.1 . 1592 157 157 TYR N N 121.132 0.1 . 1593 158 158 LEU H H 8.469 0.02 . 1594 158 158 LEU HA H 3.912 0.02 . 1595 158 158 LEU HB2 H 1.439 0.02 . 1596 158 158 LEU HB3 H 1.753 0.02 . 1597 158 158 LEU HG H 1.362 0.02 . 1598 158 158 LEU HD1 H 0.870 0.02 . 1599 158 158 LEU HD2 H -0.309 0.02 . 1600 158 158 LEU C C 180.130 0.1 . 1601 158 158 LEU CA C 58.686 0.1 . 1602 158 158 LEU CB C 41.730 0.1 . 1603 158 158 LEU CG C 27.215 0.1 . 1604 158 158 LEU CD2 C 24.217 0.1 . 1605 158 158 LEU N N 120.964 0.1 . 1606 159 159 SER H H 7.758 0.02 . 1607 159 159 SER HA H 4.246 0.02 . 1608 159 159 SER HB2 H 3.960 0.02 . 1609 159 159 SER HB3 H 3.960 0.02 . 1610 159 159 SER CA C 61.460 0.1 . 1611 159 159 SER CB C 62.849 0.1 . 1612 159 159 SER N N 116.653 0.1 . 1613 160 160 LYS H H 8.425 0.02 . 1614 160 160 LYS HE2 H 2.676 0.02 . 1615 160 160 LYS HE3 H 2.676 0.02 . 1616 160 160 LYS CA C 57.373 0.1 . 1617 160 160 LYS CB C 29.832 0.1 . 1618 161 161 LEU H H 8.323 0.02 . 1619 161 161 LEU HA H 4.163 0.02 . 1620 161 161 LEU HB2 H 1.773 0.02 . 1621 161 161 LEU HB3 H 1.773 0.02 . 1622 161 161 LEU HD1 H 0.830 0.02 . 1623 161 161 LEU HD2 H 0.631 0.02 . 1624 161 161 LEU C C 180.224 0.1 . 1625 161 161 LEU CA C 57.584 0.1 . 1626 161 161 LEU CB C 41.462 0.1 . 1627 161 161 LEU CD1 C 25.447 0.1 . 1628 161 161 LEU CD2 C 24.377 0.1 . 1629 161 161 LEU N N 121.686 0.1 . 1630 162 162 ALA H H 7.978 0.02 . 1631 162 162 ALA HA H 4.130 0.02 . 1632 162 162 ALA HB H 1.523 0.02 . 1633 162 162 ALA C C 179.487 0.1 . 1634 162 162 ALA CA C 54.744 0.1 . 1635 162 162 ALA CB C 18.403 0.1 . 1636 162 162 ALA N N 123.102 0.1 . 1637 163 163 LYS H H 7.697 0.02 . 1638 163 163 LYS HA H 4.223 0.02 . 1639 163 163 LYS HB2 H 1.709 0.02 . 1640 163 163 LYS HB3 H 1.900 0.02 . 1641 163 163 LYS HG2 H 1.542 0.02 . 1642 163 163 LYS HG3 H 1.542 0.02 . 1643 163 163 LYS HD2 H 1.557 0.02 . 1644 163 163 LYS HD3 H 1.557 0.02 . 1645 163 163 LYS HE2 H 2.860 0.02 . 1646 163 163 LYS HE3 H 2.860 0.02 . 1647 163 163 LYS C C 176.987 0.1 . 1648 163 163 LYS CA C 56.606 0.1 . 1649 163 163 LYS CB C 33.206 0.1 . 1650 163 163 LYS CG C 25.253 0.1 . 1651 163 163 LYS CD C 29.286 0.1 . 1652 163 163 LYS N N 116.069 0.1 . 1653 164 164 GLY H H 7.772 0.02 . 1654 164 164 GLY HA2 H 3.882 0.02 . 1655 164 164 GLY HA3 H 3.930 0.02 . 1656 164 164 GLY C C 174.721 0.1 . 1657 164 164 GLY CA C 45.791 0.1 . 1658 164 164 GLY N N 108.540 0.1 . 1659 165 165 GLU H H 8.065 0.02 . 1660 165 165 GLU HA H 4.050 0.02 . 1661 165 165 GLU HB2 H 1.668 0.02 . 1662 165 165 GLU HB3 H 1.668 0.02 . 1663 165 165 GLU HG2 H 2.024 0.02 . 1664 165 165 GLU HG3 H 2.024 0.02 . 1665 165 165 GLU C C 176.027 0.1 . 1666 165 165 GLU CA C 56.853 0.1 . 1667 165 165 GLU CB C 30.338 0.1 . 1668 165 165 GLU CG C 36.446 0.1 . 1669 165 165 GLU N N 119.886 0.1 . 1670 166 166 ILE H H 7.282 0.02 . 1671 166 166 ILE HA H 3.902 0.02 . 1672 166 166 ILE HB H 1.230 0.02 . 1673 166 166 ILE HG12 H 1.128 0.02 . 1674 166 166 ILE HG13 H 0.789 0.02 . 1675 166 166 ILE HG2 H 0.464 0.02 . 1676 166 166 ILE HD1 H 0.749 0.02 . 1677 166 166 ILE C C 174.138 0.1 . 1678 166 166 ILE CA C 60.455 0.1 . 1679 166 166 ILE CB C 40.202 0.1 . 1680 166 166 ILE CG1 C 27.094 0.1 . 1681 166 166 ILE CG2 C 17.527 0.1 . 1682 166 166 ILE CD1 C 13.989 0.1 . 1683 166 166 ILE N N 117.926 0.1 . 1684 167 167 GLY H H 7.414 0.02 . 1685 167 167 GLY HA2 H 2.903 0.02 . 1686 167 167 GLY HA3 H 3.435 0.02 . 1687 167 167 GLY CA C 45.715 0.1 . 1688 167 167 GLY N N 118.716 0.1 . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D 13C-F1 edited NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 176 1 ASN HA H 4.540 0.02 . 2 176 1 ASN HB2 H 2.430 0.02 . 3 176 1 ASN HB3 H 2.430 0.02 . 4 176 1 ASN C C 176.344 0.1 . 5 176 1 ASN CA C 52.885 0.1 . 6 176 1 ASN CB C 38.788 0.1 . 7 177 2 VAL H H 7.925 0.02 . 8 177 2 VAL HA H 4.273 0.02 . 9 177 2 VAL HB H 1.991 0.02 . 10 177 2 VAL HG1 H 0.908 0.02 . 11 177 2 VAL HG2 H 0.826 0.02 . 12 177 2 VAL CA C 59.788 0.1 . 13 177 2 VAL CB C 32.524 0.1 . 14 177 2 VAL CG1 C 20.975 0.1 . 15 177 2 VAL CG2 C 20.340 0.1 . 16 177 2 VAL N N 121.576 0.1 . 17 178 3 PRO HA H 4.340 0.02 . 18 178 3 PRO HB2 H 1.822 0.02 . 19 178 3 PRO HB3 H 2.218 0.02 . 20 178 3 PRO HG2 H 1.909 0.02 . 21 178 3 PRO HG3 H 1.978 0.02 . 22 178 3 PRO HD2 H 3.632 0.02 . 23 178 3 PRO HD3 H 3.738 0.02 . 24 178 3 PRO C C 177.583 0.1 . 25 178 3 PRO CA C 63.146 0.1 . 26 178 3 PRO CB C 32.031 0.1 . 27 178 3 PRO CG C 27.275 0.1 . 28 178 3 PRO CD C 50.934 0.1 . 29 179 4 GLU H H 8.481 0.02 . 30 179 4 GLU HA H 4.163 0.02 . 31 179 4 GLU HB2 H 1.894 0.02 . 32 179 4 GLU HB3 H 2.157 0.02 . 33 179 4 GLU C C 177.474 0.1 . 34 179 4 GLU CA C 56.457 0.1 . 35 179 4 GLU CB C 30.377 0.1 . 36 179 4 GLU CG C 36.256 0.1 . 37 179 4 GLU N N 121.748 0.1 . 38 180 5 ILE H H 8.280 0.02 . 39 180 5 ILE HA H 4.101 0.02 . 40 180 5 ILE HB H 1.793 0.02 . 41 180 5 ILE HG12 H 1.137 0.02 . 42 180 5 ILE HG13 H 1.435 0.02 . 43 180 5 ILE HG2 H 0.840 0.02 . 44 180 5 ILE HD1 H 0.890 0.02 . 45 180 5 ILE C C 177.308 0.1 . 46 180 5 ILE CA C 60.906 0.1 . 47 180 5 ILE CB C 38.474 0.1 . 48 180 5 ILE CG1 C 27.252 0.1 . 49 180 5 ILE CG2 C 17.411 0.1 . 50 180 5 ILE CD1 C 12.707 0.1 . 51 180 5 ILE N N 123.355 0.1 . 52 181 6 LYS H H 8.398 0.02 . 53 181 6 LYS HA H 4.296 0.02 . 54 181 6 LYS HB2 H 1.686 0.02 . 55 181 6 LYS HB3 H 1.766 0.02 . 56 181 6 LYS HG2 H 1.344 0.02 . 57 181 6 LYS HG3 H 1.399 0.02 . 58 181 6 LYS C C 177.328 0.1 . 59 181 6 LYS CA C 55.931 0.1 . 60 181 6 LYS CB C 33.011 0.1 . 61 181 6 LYS N N 126.397 0.1 . 62 182 7 ALA H H 8.367 0.02 . 63 182 7 ALA HA H 4.228 0.02 . 64 182 7 ALA HB H 1.342 0.02 . 65 182 7 ALA C C 178.061 0.1 . 66 182 7 ALA CA C 52.423 0.1 . 67 182 7 ALA CB C 19.202 0.1 . 68 182 7 ALA N N 126.154 0.1 . 69 183 8 LYS H H 8.323 0.02 . 70 183 8 LYS HA H 4.219 0.02 . 71 183 8 LYS HB2 H 1.777 0.02 . 72 183 8 LYS C C 177.530 0.1 . 73 183 8 LYS CA C 56.448 0.1 . 74 183 8 LYS CB C 32.992 0.1 . 75 183 8 LYS N N 121.002 0.1 . 76 184 9 GLU H H 8.486 0.02 . 77 184 9 GLU HA H 4.207 0.02 . 78 184 9 GLU HB2 H 1.948 0.02 . 79 184 9 GLU HB3 H 2.000 0.02 . 80 184 9 GLU HG2 H 2.268 0.02 . 81 184 9 GLU HG3 H 2.268 0.02 . 82 184 9 GLU C C 177.382 0.1 . 83 184 9 GLU CA C 56.460 0.1 . 84 184 9 GLU CB C 30.231 0.1 . 85 184 9 GLU N N 122.873 0.1 . 86 185 10 VAL H H 8.213 0.02 . 87 185 10 VAL HA H 4.032 0.02 . 88 185 10 VAL HB H 2.002 0.02 . 89 185 10 VAL HG1 H 0.816 0.02 . 90 185 10 VAL HG2 H 0.887 0.02 . 91 185 10 VAL C C 177.037 0.1 . 92 185 10 VAL CA C 62.140 0.1 . 93 185 10 VAL CB C 32.899 0.1 . 94 185 10 VAL CG2 C 20.741 0.1 . 95 185 10 VAL N N 121.235 0.1 . 96 186 11 ASN H H 8.641 0.02 . 97 186 11 ASN HA H 4.438 0.02 . 98 186 11 ASN HB2 H 2.687 0.02 . 99 186 11 ASN HB3 H 2.801 0.02 . 100 186 11 ASN HD21 H 7.620 0.02 . 101 186 11 ASN HD22 H 6.878 0.02 . 102 186 11 ASN C C 176.915 0.1 . 103 186 11 ASN CA C 53.022 0.1 . 104 186 11 ASN CB C 39.138 0.1 . 105 186 11 ASN N N 123.455 0.1 . 106 187 12 VAL H H 8.265 0.02 . 107 187 12 VAL HA H 4.049 0.02 . 108 187 12 VAL HB H 2.02 0.02 . 109 187 12 VAL HG1 H 0.819 0.02 . 110 187 12 VAL HG2 H 0.819 0.02 . 111 187 12 VAL C C 177.241 0.1 . 112 187 12 VAL CA C 62.516 0.1 . 113 187 12 VAL CB C 32.563 0.1 . 114 187 12 VAL N N 120.945 0.1 . 115 188 13 ASP H H 8.380 0.02 . 116 188 13 ASP HA H 4.535 0.02 . 117 188 13 ASP HB2 H 2.561 0.02 . 118 188 13 ASP HB3 H 2.687 0.02 . 119 188 13 ASP C C 177.384 0.1 . 120 188 13 ASP CA C 54.686 0.1 . 121 188 13 ASP CB C 41.066 0.1 . 122 188 13 ASP N N 123.431 0.1 . 123 189 14 ASP H H 8.209 0.02 . 124 189 14 ASP HA H 4.471 0.02 . 125 189 14 ASP HB2 H 2.593 0.02 . 126 189 14 ASP HB3 H 2.666 0.02 . 127 189 14 ASP C C 177.597 0.1 . 128 189 14 ASP CA C 54.817 0.1 . 129 189 14 ASP CB C 41.166 0.1 . 130 189 14 ASP N N 121.250 0.1 . 131 190 15 GLU H H 8.329 0.02 . 132 190 15 GLU HA H 4.139 0.02 . 133 190 15 GLU HB2 H 1.956 0.02 . 134 190 15 GLU HB3 H 2.038 0.02 . 135 190 15 GLU HG2 H 2.172 0.02 . 136 190 15 GLU HG3 H 2.232 0.02 . 137 190 15 GLU C C 177.735 0.1 . 138 190 15 GLU CA C 56.985 0.1 . 139 190 15 GLU CB C 29.901 0.1 . 140 190 15 GLU N N 121.240 0.1 . 141 191 16 LYS H H 8.201 0.02 . 142 191 16 LYS HA H 4.132 0.02 . 143 191 16 LYS HB2 H 1.778 0.02 . 144 191 16 LYS HB3 H 1.778 0.02 . 145 191 16 LYS HG2 H 1.374 0.02 . 146 191 16 LYS HG3 H 1.440 0.02 . 147 191 16 LYS CA C 56.743 0.1 . 148 191 16 LYS CB C 32.827 0.1 . 149 191 16 LYS N N 121.576 0.1 . 150 192 17 GLU H H 8.162 0.02 . 151 192 17 GLU HB2 H 1.862 0.02 . 152 192 17 GLU HB3 H 1.903 0.02 . 153 192 17 GLU HG2 H 2.130 0.02 . 154 192 17 GLU HG3 H 2.165 0.02 . 155 192 17 GLU C C 177.515 0.1 . 156 192 17 GLU CA C 56.886 0.1 . 157 192 17 GLU CB C 30.224 0.1 . 158 193 18 ASP H H 8.476 0.02 . 159 193 18 ASP HB2 H 2.711 0.02 . 160 193 18 ASP HB3 H 2.834 0.02 . 161 193 18 ASP C C 177.717 0.1 . 162 193 18 ASP CA C 54.503 0.1 . 163 193 18 ASP CB C 40.949 0.1 . 164 193 18 ASP N N 121.962 0.1 . 165 194 19 LYS H H 8.310 0.02 . 166 194 19 LYS HA H 4.171 0.02 . 167 194 19 LYS HB2 H 1.658 0.02 . 168 194 19 LYS HD2 H 1.713 0.02 . 169 194 19 LYS HD3 H 1.713 0.02 . 170 194 19 LYS C C 178.040 0.1 . 171 194 19 LYS CA C 57.219 0.1 . 172 194 19 LYS CB C 32.507 0.1 . 173 194 19 LYS N N 122.055 0.1 . 174 195 20 LEU H H 8.160 0.02 . 175 195 20 LEU HB2 H 1.734 0.02 . 176 195 20 LEU HB3 H 1.786 0.02 . 177 195 20 LEU HD1 H 0.867 0.02 . 178 195 20 LEU HD2 H 0.816 0.02 . 179 195 20 LEU C C 178.162 0.1 . 180 195 20 LEU CA C 55.760 0.1 . 181 195 20 LEU CB C 41.815 0.1 . 182 195 20 LEU CD1 C 25.812 0.1 . 183 195 20 LEU CD2 C 23.519 0.1 . 184 195 20 LEU N N 121.401 0.1 . 185 196 21 ALA H H 8.048 0.02 . 186 196 21 ALA HA H 4.015 0.02 . 187 196 21 ALA HB H 1.458 0.02 . 188 196 21 ALA CA C 52.175 0.1 . 189 196 21 ALA CB C 18.787 0.1 . 190 196 21 ALA N N 123.347 0.1 . 191 197 22 GLN H H 8.083 0.02 . 192 197 22 GLN HA H 3.902 0.02 . 193 197 22 GLN HB2 H 1.938 0.02 . 194 197 22 GLN HB3 H 2.085 0.02 . 195 197 22 GLN HG2 H 2.296 0.02 . 196 197 22 GLN HG3 H 2.421 0.02 . 197 197 22 GLN HE21 H 7.477 0.02 . 198 197 22 GLN HE22 H 6.835 0.02 . 199 197 22 GLN CA C 55.931 0.1 . 200 197 22 GLN CB C 29.248 0.1 . 201 197 22 GLN CG C 33.811 0.1 . 202 197 22 GLN N N 120.054 0.1 . 203 198 23 ARG HG2 H 1.615 0.02 . 204 198 23 ARG HG3 H 1.615 0.02 . 205 198 23 ARG HD2 H 3.129 0.02 . 206 198 23 ARG HD3 H 3.129 0.02 . 207 198 23 ARG CA C 56.135 0.1 . 208 198 23 ARG CB C 32.622 0.1 . 209 198 23 ARG CG C 27.336 0.1 . 210 198 23 ARG CD C 42.837 0.1 . 211 199 24 LEU H H 8.198 0.02 . 212 199 24 LEU HG H 1.501 0.02 . 213 199 24 LEU HD1 H 0.911 0.02 . 214 199 24 LEU HD2 H 0.858 0.02 . 215 199 24 LEU CA C 55.339 0.1 . 216 199 24 LEU CB C 41.910 0.1 . 217 199 24 LEU CD2 C 23.712 0.1 . 218 199 24 LEU N N 121.744 0.1 . 219 200 25 ARG HG2 H 1.562 0.02 . 220 200 25 ARG HG3 H 1.562 0.02 . 221 200 25 ARG CG C 27.409 0.1 . 222 201 26 ALA HA H 4.088 0.02 . 223 201 26 ALA HB H 1.287 0.02 . 224 201 26 ALA CA C 53.728 0.1 . 225 201 26 ALA CB C 20.145 0.1 . 226 202 27 LEU HB2 H 1.716 0.02 . 227 202 27 LEU HG H 1.616 0.02 . 228 202 27 LEU HD1 H 0.902 0.02 . 229 202 27 LEU HD2 H 0.916 0.02 . 230 202 27 LEU CG C 26.938 0.1 . 231 202 27 LEU CD1 C 26.607 0.1 . 232 202 27 LEU CD2 C 23.808 0.1 . 233 203 28 ARG HA H 4.351 0.02 . 234 203 28 ARG HG2 H 1.601 0.02 . 235 203 28 ARG HG3 H 1.601 0.02 . 236 203 28 ARG HD2 H 3.152 0.02 . 237 203 28 ARG HD3 H 3.152 0.02 . 238 203 28 ARG C C 177.050 0.1 . 239 203 28 ARG CA C 56.028 0.1 . 240 203 28 ARG CB C 30.773 0.1 . 241 203 28 ARG CG C 27.336 0.1 . 242 203 28 ARG CD C 43.012 0.1 . 243 204 29 GLY H H 7.982 0.02 . 244 204 29 GLY HA2 H 3.729 0.02 . 245 204 29 GLY HA3 H 3.729 0.02 . 246 204 29 GLY CA C 46.072 0.1 . 247 204 29 GLY N N 116.793 0.1 . stop_ save_