data_34294 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of rat RIP2 caspase recruitment domain ; _BMRB_accession_number 34294 _BMRB_flat_file_name bmr34294.str _Entry_type original _Submission_date 2018-06-25 _Accession_date 2018-06-25 _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 Mineev K. S. . 2 Goncharuk S. A. . 3 Artemieva L. E. . 4 Arseniev A. S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 729 "13C chemical shifts" 530 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-29 original BMRB . stop_ _Original_release_date 2018-10-25 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; CARD domain of rat RIP2 kinase: Refolding, solution structure, pH-dependent behavior and protein-protein interactions. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30352081 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goncharuk S. A. . 2 Artemieva L. E. . 3 Tabakmakher V. M. . 4 Arseniev A. S. . 5 Mineev K. S. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_volume 13 _Journal_issue 10 _Journal_ISSN 1932-6203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0206244 _Page_last e0206244 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Receptor-interacting serine/threonine-protein kinase 2 (E.C.2.7.11.1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14075.079 _Mol_thiol_state . _Details 'MHHHHHHGSGSGLVPRGS - polyhistidine tag with the trombine cleavage site' ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MHHHHHHGSGSGLVPRGSGI AQQWIQSKREAIVSQMTEAC LNQSLDALLSRDLIMKEDYE LISTKPTRTAKVRQLLDTSD IQGEEFARVIVQKLKDNKQM GLQPYPEVLLVSRTPSSNVL QNKTL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 GLY 9 SER 10 GLY 11 SER 12 GLY 13 LEU 14 VAL 15 PRO 16 ARG 17 GLY 18 SER 19 GLY 20 ILE 21 ALA 22 GLN 23 GLN 24 TRP 25 ILE 26 GLN 27 SER 28 LYS 29 ARG 30 GLU 31 ALA 32 ILE 33 VAL 34 SER 35 GLN 36 MET 37 THR 38 GLU 39 ALA 40 CYS 41 LEU 42 ASN 43 GLN 44 SER 45 LEU 46 ASP 47 ALA 48 LEU 49 LEU 50 SER 51 ARG 52 ASP 53 LEU 54 ILE 55 MET 56 LYS 57 GLU 58 ASP 59 TYR 60 GLU 61 LEU 62 ILE 63 SER 64 THR 65 LYS 66 PRO 67 THR 68 ARG 69 THR 70 ALA 71 LYS 72 VAL 73 ARG 74 GLN 75 LEU 76 LEU 77 ASP 78 THR 79 SER 80 ASP 81 ILE 82 GLN 83 GLY 84 GLU 85 GLU 86 PHE 87 ALA 88 ARG 89 VAL 90 ILE 91 VAL 92 GLN 93 LYS 94 LEU 95 LYS 96 ASP 97 ASN 98 LYS 99 GLN 100 MET 101 GLY 102 LEU 103 GLN 104 PRO 105 TYR 106 PRO 107 GLU 108 VAL 109 LEU 110 LEU 111 VAL 112 SER 113 ARG 114 THR 115 PRO 116 SER 117 SER 118 ASN 119 VAL 120 LEU 121 GLN 122 ASN 123 LYS 124 THR 125 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Rat 10116 Eukaryota Metazoa Rattus norvegicus 'Ripk2, rCG_54865' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . pLysS pGEMEX-1 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-99% 15N] CARD domain of rat RIP2, 1 mM TCEP, 0.001 % sodium azide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' TCEP 1 mM 'natural abundance' 'sodium azide' 0.001 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version 1.9.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 2 mM pH 4.2 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HN(CA)CO' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.071 0.020 . 2 1 1 MET HB2 H 2.097 0.020 . 3 1 1 MET HB3 H 2.043 0.020 . 4 1 1 MET HG2 H 2.485 0.020 . 5 1 1 MET HG3 H 2.398 0.020 . 6 1 1 MET CA C 54.498 0.300 . 7 1 1 MET CB C 32.380 0.300 . 8 1 1 MET CG C 30.177 0.300 . 9 6 6 HIS C C 173.608 0.300 . 10 6 6 HIS CA C 55.044 0.300 . 11 6 6 HIS CB C 28.791 0.300 . 12 7 7 HIS H H 8.708 0.020 . 13 7 7 HIS HA H 4.652 0.020 . 14 7 7 HIS HB2 H 3.192 0.020 . 15 7 7 HIS HB3 H 3.192 0.020 . 16 7 7 HIS C C 174.139 0.300 . 17 7 7 HIS CA C 54.882 0.300 . 18 7 7 HIS CB C 28.839 0.300 . 19 7 7 HIS N N 121.438 0.300 . 20 8 8 GLY H H 8.526 0.020 . 21 8 8 GLY HA2 H 4.000 0.020 . 22 8 8 GLY HA3 H 4.000 0.020 . 23 8 8 GLY C C 173.567 0.300 . 24 8 8 GLY CA C 44.610 0.300 . 25 8 8 GLY N N 111.212 0.300 . 26 9 9 SER H H 8.417 0.020 . 27 9 9 SER HA H 4.506 0.020 . 28 9 9 SER HB2 H 3.900 0.020 . 29 9 9 SER HB3 H 3.900 0.020 . 30 9 9 SER C C 174.794 0.300 . 31 9 9 SER CA C 58.018 0.300 . 32 9 9 SER CB C 63.579 0.300 . 33 9 9 SER N N 115.858 0.300 . 34 10 10 GLY H H 8.560 0.020 . 35 10 10 GLY HA2 H 4.021 0.020 . 36 10 10 GLY HA3 H 4.021 0.020 . 37 10 10 GLY C C 173.878 0.300 . 38 10 10 GLY CA C 44.956 0.300 . 39 10 10 GLY N N 111.039 0.300 . 40 11 11 SER H H 8.322 0.020 . 41 11 11 SER HA H 4.451 0.020 . 42 11 11 SER HB2 H 3.912 0.020 . 43 11 11 SER HB3 H 3.880 0.020 . 44 11 11 SER C C 174.695 0.300 . 45 11 11 SER CA C 58.020 0.300 . 46 11 11 SER CB C 63.579 0.300 . 47 11 11 SER N N 115.720 0.300 . 48 12 12 GLY H H 8.470 0.020 . 49 12 12 GLY HA2 H 3.945 0.020 . 50 12 12 GLY HA3 H 3.945 0.020 . 51 12 12 GLY C C 173.436 0.300 . 52 12 12 GLY CA C 44.845 0.300 . 53 12 12 GLY N N 110.778 0.300 . 54 13 13 LEU H H 8.053 0.020 . 55 13 13 LEU HA H 4.362 0.020 . 56 13 13 LEU HB2 H 1.578 0.020 . 57 13 13 LEU HB3 H 1.578 0.020 . 58 13 13 LEU HG H 1.577 0.020 . 59 13 13 LEU HD1 H 0.892 0.020 . 60 13 13 LEU HD2 H 0.843 0.020 . 61 13 13 LEU C C 176.691 0.300 . 62 13 13 LEU CA C 54.662 0.300 . 63 13 13 LEU CB C 41.990 0.300 . 64 13 13 LEU CG C 26.688 0.300 . 65 13 13 LEU CD1 C 24.407 0.300 . 66 13 13 LEU CD2 C 23.069 0.300 . 67 13 13 LEU N N 121.601 0.300 . 68 14 14 VAL H H 8.122 0.020 . 69 14 14 VAL HA H 4.417 0.020 . 70 14 14 VAL HB H 2.073 0.020 . 71 14 14 VAL HG1 H 0.959 0.020 . 72 14 14 VAL HG2 H 0.926 0.020 . 73 14 14 VAL C C 173.959 0.300 . 74 14 14 VAL CA C 59.355 0.300 . 75 14 14 VAL CB C 32.262 0.300 . 76 14 14 VAL CG1 C 20.610 0.300 . 77 14 14 VAL CG2 C 19.960 0.300 . 78 14 14 VAL N N 122.852 0.300 . 79 15 15 PRO HA H 4.409 0.020 . 80 15 15 PRO HB2 H 2.299 0.020 . 81 15 15 PRO HB3 H 1.903 0.020 . 82 15 15 PRO HG2 H 1.972 0.020 . 83 15 15 PRO HG3 H 2.047 0.020 . 84 15 15 PRO HD2 H 3.880 0.020 . 85 15 15 PRO HD3 H 3.678 0.020 . 86 15 15 PRO C C 176.478 0.300 . 87 15 15 PRO CA C 62.698 0.300 . 88 15 15 PRO CB C 31.676 0.300 . 89 15 15 PRO CG C 26.969 0.300 . 90 15 15 PRO CD C 50.657 0.300 . 91 16 16 ARG H H 8.450 0.020 . 92 16 16 ARG HA H 4.341 0.020 . 93 16 16 ARG HB2 H 1.867 0.020 . 94 16 16 ARG HB3 H 1.808 0.020 . 95 16 16 ARG HG2 H 1.728 0.020 . 96 16 16 ARG HG3 H 1.674 0.020 . 97 16 16 ARG HD2 H 3.217 0.020 . 98 16 16 ARG HD3 H 3.217 0.020 . 99 16 16 ARG HE H 7.188 0.020 . 100 16 16 ARG C C 176.592 0.300 . 101 16 16 ARG CA C 55.880 0.300 . 102 16 16 ARG CB C 30.473 0.300 . 103 16 16 ARG CG C 26.654 0.300 . 104 16 16 ARG CD C 43.020 0.300 . 105 16 16 ARG N N 121.951 0.300 . 106 16 16 ARG NE N 84.823 0.300 . 107 17 17 GLY H H 8.514 0.020 . 108 17 17 GLY HA2 H 3.960 0.020 . 109 17 17 GLY HA3 H 3.960 0.020 . 110 17 17 GLY C C 173.518 0.300 . 111 17 17 GLY CA C 45.018 0.300 . 112 17 17 GLY N N 110.662 0.300 . 113 18 18 SER H H 8.194 0.020 . 114 18 18 SER HA H 4.576 0.020 . 115 18 18 SER HB2 H 3.883 0.020 . 116 18 18 SER HB3 H 3.851 0.020 . 117 18 18 SER C C 174.483 0.300 . 118 18 18 SER CA C 57.730 0.300 . 119 18 18 SER CB C 63.910 0.300 . 120 18 18 SER N N 115.127 0.300 . 121 19 19 GLY H H 8.654 0.020 . 122 19 19 GLY HA2 H 3.958 0.020 . 123 19 19 GLY HA3 H 4.214 0.020 . 124 19 19 GLY C C 173.289 0.300 . 125 19 19 GLY CA C 44.675 0.300 . 126 19 19 GLY N N 112.060 0.300 . 127 20 20 ILE H H 8.197 0.020 . 128 20 20 ILE HA H 3.789 0.020 . 129 20 20 ILE HB H 1.735 0.020 . 130 20 20 ILE HG12 H 1.670 0.020 . 131 20 20 ILE HG13 H 1.276 0.020 . 132 20 20 ILE HG2 H 0.938 0.020 . 133 20 20 ILE HD1 H 0.927 0.020 . 134 20 20 ILE C C 178.293 0.300 . 135 20 20 ILE CA C 64.327 0.300 . 136 20 20 ILE CB C 38.455 0.300 . 137 20 20 ILE CG1 C 28.006 0.300 . 138 20 20 ILE CG2 C 17.336 0.300 . 139 20 20 ILE CD1 C 12.696 0.300 . 140 20 20 ILE N N 120.910 0.300 . 141 21 21 ALA H H 11.825 0.020 . 142 21 21 ALA HA H 4.093 0.020 . 143 21 21 ALA HB H 1.364 0.020 . 144 21 21 ALA C C 179.471 0.300 . 145 21 21 ALA CA C 55.315 0.300 . 146 21 21 ALA CB C 18.015 0.300 . 147 21 21 ALA N N 129.633 0.300 . 148 22 22 GLN H H 9.436 0.020 . 149 22 22 GLN HA H 3.903 0.020 . 150 22 22 GLN HB2 H 2.152 0.020 . 151 22 22 GLN HB3 H 2.029 0.020 . 152 22 22 GLN HG2 H 2.836 0.020 . 153 22 22 GLN HG3 H 2.283 0.020 . 154 22 22 GLN HE21 H 7.499 0.020 . 155 22 22 GLN HE22 H 7.073 0.020 . 156 22 22 GLN C C 178.784 0.300 . 157 22 22 GLN CA C 59.579 0.300 . 158 22 22 GLN CB C 29.257 0.300 . 159 22 22 GLN CG C 34.782 0.300 . 160 22 22 GLN N N 120.236 0.300 . 161 22 22 GLN NE2 N 113.116 0.300 . 162 23 23 GLN H H 8.630 0.020 . 163 23 23 GLN HA H 3.997 0.020 . 164 23 23 GLN HB2 H 2.154 0.020 . 165 23 23 GLN HB3 H 2.154 0.020 . 166 23 23 GLN HG2 H 2.589 0.020 . 167 23 23 GLN HG3 H 2.341 0.020 . 168 23 23 GLN HE21 H 7.286 0.020 . 169 23 23 GLN HE22 H 6.787 0.020 . 170 23 23 GLN C C 178.195 0.300 . 171 23 23 GLN CA C 58.678 0.300 . 172 23 23 GLN CB C 28.298 0.300 . 173 23 23 GLN CG C 34.369 0.300 . 174 23 23 GLN N N 117.928 0.300 . 175 23 23 GLN NE2 N 111.603 0.300 . 176 24 24 TRP H H 8.240 0.020 . 177 24 24 TRP HA H 4.098 0.020 . 178 24 24 TRP HB2 H 3.325 0.020 . 179 24 24 TRP HB3 H 3.585 0.020 . 180 24 24 TRP HD1 H 7.282 0.020 . 181 24 24 TRP HE1 H 10.532 0.020 . 182 24 24 TRP HE3 H 7.367 0.020 . 183 24 24 TRP HZ2 H 6.872 0.020 . 184 24 24 TRP HZ3 H 6.770 0.020 . 185 24 24 TRP HH2 H 6.840 0.020 . 186 24 24 TRP C C 178.620 0.300 . 187 24 24 TRP CA C 62.169 0.300 . 188 24 24 TRP CB C 28.689 0.300 . 189 24 24 TRP CD1 C 126.693 0.300 . 190 24 24 TRP CE3 C 120.104 0.300 . 191 24 24 TRP CZ2 C 114.844 0.300 . 192 24 24 TRP CZ3 C 120.960 0.300 . 193 24 24 TRP CH2 C 124.080 0.300 . 194 24 24 TRP N N 123.502 0.300 . 195 24 24 TRP NE1 N 129.134 0.300 . 196 25 25 ILE H H 8.766 0.020 . 197 25 25 ILE HA H 3.348 0.020 . 198 25 25 ILE HB H 2.147 0.020 . 199 25 25 ILE HG12 H 2.235 0.020 . 200 25 25 ILE HG13 H 1.150 0.020 . 201 25 25 ILE HG2 H 0.928 0.020 . 202 25 25 ILE HD1 H 1.076 0.020 . 203 25 25 ILE C C 177.394 0.300 . 204 25 25 ILE CA C 65.069 0.300 . 205 25 25 ILE CB C 37.268 0.300 . 206 25 25 ILE CG1 C 29.281 0.300 . 207 25 25 ILE CG2 C 17.456 0.300 . 208 25 25 ILE CD1 C 13.608 0.300 . 209 25 25 ILE N N 119.437 0.300 . 210 26 26 GLN H H 8.004 0.020 . 211 26 26 GLN HA H 3.912 0.020 . 212 26 26 GLN HB2 H 2.191 0.020 . 213 26 26 GLN HB3 H 2.084 0.020 . 214 26 26 GLN HG2 H 2.556 0.020 . 215 26 26 GLN HG3 H 2.529 0.020 . 216 26 26 GLN HE21 H 7.494 0.020 . 217 26 26 GLN HE22 H 6.819 0.020 . 218 26 26 GLN C C 178.686 0.300 . 219 26 26 GLN CA C 58.371 0.300 . 220 26 26 GLN CB C 27.144 0.300 . 221 26 26 GLN CG C 33.090 0.300 . 222 26 26 GLN N N 115.684 0.300 . 223 26 26 GLN NE2 N 110.984 0.300 . 224 27 27 SER H H 8.000 0.020 . 225 27 27 SER HA H 4.235 0.020 . 226 27 27 SER HB2 H 3.931 0.020 . 227 27 27 SER HB3 H 3.931 0.020 . 228 27 27 SER C C 174.744 0.300 . 229 27 27 SER CA C 60.349 0.300 . 230 27 27 SER CB C 62.993 0.300 . 231 27 27 SER N N 114.217 0.300 . 232 28 28 LYS H H 7.291 0.020 . 233 28 28 LYS HA H 4.586 0.020 . 234 28 28 LYS HB2 H 1.397 0.020 . 235 28 28 LYS HB3 H 0.959 0.020 . 236 28 28 LYS HG2 H 0.542 0.020 . 237 28 28 LYS HG3 H 0.542 0.020 . 238 28 28 LYS HD2 H 0.869 0.020 . 239 28 28 LYS HD3 H 0.517 0.020 . 240 28 28 LYS HE2 H 1.951 0.020 . 241 28 28 LYS HE3 H 2.341 0.020 . 242 28 28 LYS C C 175.628 0.300 . 243 28 28 LYS CA C 54.065 0.300 . 244 28 28 LYS CB C 30.918 0.300 . 245 28 28 LYS CG C 22.337 0.300 . 246 28 28 LYS CD C 27.815 0.300 . 247 28 28 LYS CE C 41.499 0.300 . 248 28 28 LYS N N 119.868 0.300 . 249 29 29 ARG H H 6.843 0.020 . 250 29 29 ARG HA H 3.589 0.020 . 251 29 29 ARG HB2 H 2.032 0.020 . 252 29 29 ARG HB3 H 1.748 0.020 . 253 29 29 ARG HG2 H 1.413 0.020 . 254 29 29 ARG HG3 H 1.497 0.020 . 255 29 29 ARG HD2 H 3.294 0.020 . 256 29 29 ARG HD3 H 3.169 0.020 . 257 29 29 ARG HE H 7.540 0.020 . 258 29 29 ARG HH21 H 6.977 0.020 . 259 29 29 ARG C C 176.887 0.300 . 260 29 29 ARG CA C 61.075 0.300 . 261 29 29 ARG CB C 31.546 0.300 . 262 29 29 ARG CG C 27.208 0.300 . 263 29 29 ARG CD C 42.936 0.300 . 264 29 29 ARG N N 122.094 0.300 . 265 29 29 ARG NE N 84.083 0.300 . 266 30 30 GLU H H 8.454 0.020 . 267 30 30 GLU HA H 3.936 0.020 . 268 30 30 GLU HB2 H 1.854 0.020 . 269 30 30 GLU HB3 H 2.052 0.020 . 270 30 30 GLU HG2 H 2.420 0.020 . 271 30 30 GLU HG3 H 2.318 0.020 . 272 30 30 GLU C C 178.719 0.300 . 273 30 30 GLU CA C 58.389 0.300 . 274 30 30 GLU CB C 27.771 0.300 . 275 30 30 GLU CG C 35.437 0.300 . 276 30 30 GLU N N 114.266 0.300 . 277 31 31 ALA H H 7.683 0.020 . 278 31 31 ALA HA H 4.176 0.020 . 279 31 31 ALA HB H 1.261 0.020 . 280 31 31 ALA C C 179.062 0.300 . 281 31 31 ALA CA C 54.413 0.300 . 282 31 31 ALA CB C 17.303 0.300 . 283 31 31 ALA N N 124.356 0.300 . 284 32 32 ILE H H 8.274 0.020 . 285 32 32 ILE HA H 3.408 0.020 . 286 32 32 ILE HB H 1.900 0.020 . 287 32 32 ILE HG12 H 0.786 0.020 . 288 32 32 ILE HG13 H 1.740 0.020 . 289 32 32 ILE HG2 H 0.934 0.020 . 290 32 32 ILE HD1 H 0.796 0.020 . 291 32 32 ILE C C 177.590 0.300 . 292 32 32 ILE CA C 66.055 0.300 . 293 32 32 ILE CB C 37.118 0.300 . 294 32 32 ILE CG1 C 29.320 0.300 . 295 32 32 ILE CG2 C 19.725 0.300 . 296 32 32 ILE CD1 C 15.608 0.300 . 297 32 32 ILE N N 119.031 0.300 . 298 33 33 VAL H H 8.117 0.020 . 299 33 33 VAL HA H 3.497 0.020 . 300 33 33 VAL HB H 2.140 0.020 . 301 33 33 VAL HG1 H 0.983 0.020 . 302 33 33 VAL HG2 H 0.922 0.020 . 303 33 33 VAL C C 177.034 0.300 . 304 33 33 VAL CA C 66.507 0.300 . 305 33 33 VAL CB C 31.098 0.300 . 306 33 33 VAL CG1 C 21.907 0.300 . 307 33 33 VAL CG2 C 22.831 0.300 . 308 33 33 VAL N N 118.940 0.300 . 309 34 34 SER H H 7.775 0.020 . 310 34 34 SER HA H 4.269 0.020 . 311 34 34 SER HB2 H 4.037 0.020 . 312 34 34 SER HB3 H 3.955 0.020 . 313 34 34 SER C C 175.955 0.300 . 314 34 34 SER CA C 61.128 0.300 . 315 34 34 SER CB C 63.352 0.300 . 316 34 34 SER N N 111.077 0.300 . 317 35 35 GLN H H 8.115 0.020 . 318 35 35 GLN HA H 4.310 0.020 . 319 35 35 GLN HB2 H 2.123 0.020 . 320 35 35 GLN HB3 H 1.760 0.020 . 321 35 35 GLN HG2 H 2.561 0.020 . 322 35 35 GLN HG3 H 2.276 0.020 . 323 35 35 GLN HE21 H 7.189 0.020 . 324 35 35 GLN HE22 H 6.132 0.020 . 325 35 35 GLN C C 177.950 0.300 . 326 35 35 GLN CA C 57.186 0.300 . 327 35 35 GLN CB C 30.944 0.300 . 328 35 35 GLN CG C 33.871 0.300 . 329 35 35 GLN N N 115.540 0.300 . 330 35 35 GLN NE2 N 108.621 0.300 . 331 36 36 MET H H 8.955 0.020 . 332 36 36 MET HA H 4.149 0.020 . 333 36 36 MET HB2 H 2.103 0.020 . 334 36 36 MET HB3 H 1.928 0.020 . 335 36 36 MET HG2 H 2.869 0.020 . 336 36 36 MET HG3 H 2.449 0.020 . 337 36 36 MET HE H 1.901 0.020 . 338 36 36 MET C C 175.726 0.300 . 339 36 36 MET CA C 57.661 0.300 . 340 36 36 MET CB C 32.605 0.300 . 341 36 36 MET CG C 30.601 0.300 . 342 36 36 MET CE C 16.219 0.300 . 343 36 36 MET N N 122.150 0.300 . 344 37 37 THR H H 9.105 0.020 . 345 37 37 THR HA H 4.255 0.020 . 346 37 37 THR HB H 4.787 0.020 . 347 37 37 THR HG1 H 5.664 0.020 . 348 37 37 THR HG2 H 1.455 0.020 . 349 37 37 THR C C 174.892 0.300 . 350 37 37 THR CA C 61.281 0.300 . 351 37 37 THR CB C 70.707 0.300 . 352 37 37 THR CG2 C 21.426 0.300 . 353 37 37 THR N N 119.772 0.300 . 354 38 38 GLU H H 9.159 0.020 . 355 38 38 GLU HA H 3.829 0.020 . 356 38 38 GLU HB2 H 2.063 0.020 . 357 38 38 GLU HB3 H 2.063 0.020 . 358 38 38 GLU HG2 H 2.328 0.020 . 359 38 38 GLU HG3 H 2.328 0.020 . 360 38 38 GLU C C 177.639 0.300 . 361 38 38 GLU CA C 59.578 0.300 . 362 38 38 GLU CB C 28.063 0.300 . 363 38 38 GLU CG C 35.580 0.300 . 364 38 38 GLU N N 121.167 0.300 . 365 39 39 ALA H H 8.354 0.020 . 366 39 39 ALA HA H 4.202 0.020 . 367 39 39 ALA HB H 1.394 0.020 . 368 39 39 ALA C C 178.898 0.300 . 369 39 39 ALA CA C 54.806 0.300 . 370 39 39 ALA CB C 17.536 0.300 . 371 39 39 ALA N N 120.042 0.300 . 372 40 40 CYS H H 8.036 0.020 . 373 40 40 CYS HA H 3.757 0.020 . 374 40 40 CYS HB2 H 2.999 0.020 . 375 40 40 CYS HB3 H 2.704 0.020 . 376 40 40 CYS C C 177.459 0.300 . 377 40 40 CYS CA C 61.905 0.300 . 378 40 40 CYS CB C 26.540 0.300 . 379 40 40 CYS N N 119.235 0.300 . 380 41 41 LEU H H 8.603 0.020 . 381 41 41 LEU HA H 4.005 0.020 . 382 41 41 LEU HB2 H 2.108 0.020 . 383 41 41 LEU HB3 H 1.451 0.020 . 384 41 41 LEU HG H 1.565 0.020 . 385 41 41 LEU HD1 H 0.877 0.020 . 386 41 41 LEU HD2 H 0.830 0.020 . 387 41 41 LEU C C 177.590 0.300 . 388 41 41 LEU CA C 58.520 0.300 . 389 41 41 LEU CB C 40.494 0.300 . 390 41 41 LEU CG C 26.930 0.300 . 391 41 41 LEU CD1 C 26.409 0.300 . 392 41 41 LEU CD2 C 24.009 0.300 . 393 41 41 LEU N N 124.763 0.300 . 394 42 42 ASN H H 8.616 0.020 . 395 42 42 ASN HA H 4.383 0.020 . 396 42 42 ASN HB2 H 2.882 0.020 . 397 42 42 ASN HB3 H 2.882 0.020 . 398 42 42 ASN HD21 H 7.422 0.020 . 399 42 42 ASN HD22 H 6.934 0.020 . 400 42 42 ASN C C 177.786 0.300 . 401 42 42 ASN CA C 56.314 0.300 . 402 42 42 ASN CB C 37.400 0.300 . 403 42 42 ASN N N 118.844 0.300 . 404 42 42 ASN ND2 N 111.475 0.300 . 405 43 43 GLN H H 8.527 0.020 . 406 43 43 GLN HA H 4.144 0.020 . 407 43 43 GLN HB2 H 1.966 0.020 . 408 43 43 GLN HB3 H 2.110 0.020 . 409 43 43 GLN HG2 H 2.792 0.020 . 410 43 43 GLN HG3 H 2.480 0.020 . 411 43 43 GLN HE21 H 7.408 0.020 . 412 43 43 GLN HE22 H 6.889 0.020 . 413 43 43 GLN C C 180.174 0.300 . 414 43 43 GLN CA C 58.544 0.300 . 415 43 43 GLN CB C 28.556 0.300 . 416 43 43 GLN CG C 33.531 0.300 . 417 43 43 GLN N N 118.615 0.300 . 418 43 43 GLN NE2 N 111.019 0.300 . 419 44 44 SER H H 8.657 0.020 . 420 44 44 SER HA H 3.934 0.020 . 421 44 44 SER HB2 H 4.267 0.020 . 422 44 44 SER HB3 H 3.389 0.020 . 423 44 44 SER C C 174.385 0.300 . 424 44 44 SER CA C 63.510 0.300 . 425 44 44 SER CB C 62.325 0.300 . 426 44 44 SER N N 118.425 0.300 . 427 45 45 LEU H H 8.377 0.020 . 428 45 45 LEU HA H 3.876 0.020 . 429 45 45 LEU HB2 H 2.059 0.020 . 430 45 45 LEU HB3 H 1.501 0.020 . 431 45 45 LEU HG H 1.816 0.020 . 432 45 45 LEU HD1 H 0.747 0.020 . 433 45 45 LEU HD2 H 0.730 0.020 . 434 45 45 LEU C C 177.917 0.300 . 435 45 45 LEU CA C 58.168 0.300 . 436 45 45 LEU CB C 40.900 0.300 . 437 45 45 LEU CG C 26.246 0.300 . 438 45 45 LEU CD1 C 23.054 0.300 . 439 45 45 LEU CD2 C 24.837 0.300 . 440 45 45 LEU N N 121.514 0.300 . 441 46 46 ASP H H 8.171 0.020 . 442 46 46 ASP HA H 4.470 0.020 . 443 46 46 ASP HB2 H 2.754 0.020 . 444 46 46 ASP HB3 H 2.754 0.020 . 445 46 46 ASP C C 178.326 0.300 . 446 46 46 ASP CA C 56.818 0.300 . 447 46 46 ASP CB C 39.365 0.300 . 448 46 46 ASP N N 117.496 0.300 . 449 47 47 ALA H H 7.998 0.020 . 450 47 47 ALA HA H 4.166 0.020 . 451 47 47 ALA HB H 1.399 0.020 . 452 47 47 ALA C C 179.667 0.300 . 453 47 47 ALA CA C 54.468 0.300 . 454 47 47 ALA CB C 18.362 0.300 . 455 47 47 ALA N N 123.457 0.300 . 456 48 48 LEU H H 8.413 0.020 . 457 48 48 LEU HA H 3.775 0.020 . 458 48 48 LEU HB2 H 1.878 0.020 . 459 48 48 LEU HB3 H 0.848 0.020 . 460 48 48 LEU HG H 1.640 0.020 . 461 48 48 LEU HD1 H 0.115 0.020 . 462 48 48 LEU HD2 H 0.193 0.020 . 463 48 48 LEU C C 179.176 0.300 . 464 48 48 LEU CA C 57.768 0.300 . 465 48 48 LEU CB C 41.669 0.300 . 466 48 48 LEU CG C 25.849 0.300 . 467 48 48 LEU CD1 C 25.709 0.300 . 468 48 48 LEU CD2 C 23.037 0.300 . 469 48 48 LEU N N 118.854 0.300 . 470 49 49 LEU H H 8.481 0.020 . 471 49 49 LEU HA H 4.143 0.020 . 472 49 49 LEU HB2 H 1.686 0.020 . 473 49 49 LEU HB3 H 1.686 0.020 . 474 49 49 LEU HG H 1.475 0.020 . 475 49 49 LEU HD1 H 0.480 0.020 . 476 49 49 LEU HD2 H 0.538 0.020 . 477 49 49 LEU C C 180.796 0.300 . 478 49 49 LEU CA C 57.881 0.300 . 479 49 49 LEU CB C 41.872 0.300 . 480 49 49 LEU CG C 26.104 0.300 . 481 49 49 LEU CD1 C 23.718 0.300 . 482 49 49 LEU CD2 C 23.688 0.300 . 483 49 49 LEU N N 121.470 0.300 . 484 50 50 SER H H 8.311 0.020 . 485 50 50 SER HA H 4.205 0.020 . 486 50 50 SER HB2 H 4.016 0.020 . 487 50 50 SER HB3 H 3.998 0.020 . 488 50 50 SER C C 175.284 0.300 . 489 50 50 SER CA C 61.180 0.300 . 490 50 50 SER CB C 62.532 0.300 . 491 50 50 SER N N 116.026 0.300 . 492 51 51 ARG H H 7.260 0.020 . 493 51 51 ARG HA H 4.382 0.020 . 494 51 51 ARG HB2 H 1.456 0.020 . 495 51 51 ARG HB3 H 2.180 0.020 . 496 51 51 ARG HG2 H 1.645 0.020 . 497 51 51 ARG HG3 H 1.820 0.020 . 498 51 51 ARG HD2 H 3.063 0.020 . 499 51 51 ARG HD3 H 3.063 0.020 . 500 51 51 ARG HE H 7.322 0.020 . 501 51 51 ARG HH21 H 6.747 0.020 . 502 51 51 ARG C C 174.385 0.300 . 503 51 51 ARG CA C 55.051 0.300 . 504 51 51 ARG CB C 30.498 0.300 . 505 51 51 ARG CG C 27.224 0.300 . 506 51 51 ARG CD C 42.941 0.300 . 507 51 51 ARG CZ C 172.079 0.300 . 508 51 51 ARG N N 117.875 0.300 . 509 51 51 ARG NE N 84.130 0.300 . 510 52 52 ASP H H 8.154 0.020 . 511 52 52 ASP HA H 4.545 0.020 . 512 52 52 ASP HB2 H 3.227 0.020 . 513 52 52 ASP HB3 H 2.801 0.020 . 514 52 52 ASP C C 174.548 0.300 . 515 52 52 ASP CA C 54.441 0.300 . 516 52 52 ASP CB C 37.006 0.300 . 517 52 52 ASP N N 116.389 0.300 . 518 53 53 LEU H H 8.341 0.020 . 519 53 53 LEU HA H 4.500 0.020 . 520 53 53 LEU HB2 H 1.594 0.020 . 521 53 53 LEU HB3 H 1.594 0.020 . 522 53 53 LEU HG H 1.585 0.020 . 523 53 53 LEU HD1 H 0.780 0.020 . 524 53 53 LEU HD2 H 0.921 0.020 . 525 53 53 LEU C C 175.300 0.300 . 526 53 53 LEU CA C 54.522 0.300 . 527 53 53 LEU CB C 44.455 0.300 . 528 53 53 LEU CG C 26.214 0.300 . 529 53 53 LEU CD1 C 26.549 0.300 . 530 53 53 LEU CD2 C 22.521 0.300 . 531 53 53 LEU N N 114.400 0.300 . 532 54 54 ILE H H 7.170 0.020 . 533 54 54 ILE HA H 5.007 0.020 . 534 54 54 ILE HB H 1.657 0.020 . 535 54 54 ILE HG12 H 1.716 0.020 . 536 54 54 ILE HG13 H 2.074 0.020 . 537 54 54 ILE HG2 H 0.819 0.020 . 538 54 54 ILE HD1 H 0.930 0.020 . 539 54 54 ILE C C 172.488 0.300 . 540 54 54 ILE CA C 57.469 0.300 . 541 54 54 ILE CB C 42.208 0.300 . 542 54 54 ILE CG1 C 28.643 0.300 . 543 54 54 ILE CG2 C 15.750 0.300 . 544 54 54 ILE CD1 C 14.000 0.300 . 545 54 54 ILE N N 114.582 0.300 . 546 55 55 MET H H 9.450 0.020 . 547 55 55 MET HA H 4.618 0.020 . 548 55 55 MET HB2 H 2.157 0.020 . 549 55 55 MET HB3 H 2.346 0.020 . 550 55 55 MET HG2 H 2.642 0.020 . 551 55 55 MET HG3 H 2.796 0.020 . 552 55 55 MET HE H 2.095 0.020 . 553 55 55 MET C C 177.884 0.300 . 554 55 55 MET CA C 54.277 0.300 . 555 55 55 MET CB C 33.282 0.300 . 556 55 55 MET CG C 32.297 0.300 . 557 55 55 MET CE C 17.220 0.300 . 558 55 55 MET N N 126.154 0.300 . 559 56 56 LYS H H 9.054 0.020 . 560 56 56 LYS HA H 3.912 0.020 . 561 56 56 LYS HB2 H 1.929 0.020 . 562 56 56 LYS HB3 H 1.846 0.020 . 563 56 56 LYS HG2 H 1.467 0.020 . 564 56 56 LYS HG3 H 1.467 0.020 . 565 56 56 LYS HD2 H 1.679 0.020 . 566 56 56 LYS HD3 H 1.679 0.020 . 567 56 56 LYS HE2 H 2.957 0.020 . 568 56 56 LYS HE3 H 2.957 0.020 . 569 56 56 LYS C C 177.999 0.300 . 570 56 56 LYS CA C 59.929 0.300 . 571 56 56 LYS CB C 31.567 0.300 . 572 56 56 LYS CG C 24.268 0.300 . 573 56 56 LYS CD C 28.711 0.300 . 574 56 56 LYS CE C 41.540 0.300 . 575 56 56 LYS N N 124.744 0.300 . 576 57 57 GLU H H 9.316 0.020 . 577 57 57 GLU HA H 4.125 0.020 . 578 57 57 GLU HB2 H 2.056 0.020 . 579 57 57 GLU HB3 H 1.977 0.020 . 580 57 57 GLU HG2 H 2.450 0.020 . 581 57 57 GLU HG3 H 2.370 0.020 . 582 57 57 GLU C C 178.506 0.300 . 583 57 57 GLU CA C 59.506 0.300 . 584 57 57 GLU CB C 27.910 0.300 . 585 57 57 GLU CG C 34.838 0.300 . 586 57 57 GLU N N 116.759 0.300 . 587 58 58 ASP H H 7.051 0.020 . 588 58 58 ASP HA H 4.741 0.020 . 589 58 58 ASP HB2 H 2.800 0.020 . 590 58 58 ASP HB3 H 2.622 0.020 . 591 58 58 ASP C C 177.427 0.300 . 592 58 58 ASP CA C 56.773 0.300 . 593 58 58 ASP CB C 40.278 0.300 . 594 58 58 ASP N N 118.546 0.300 . 595 59 59 TYR H H 8.341 0.020 . 596 59 59 TYR HA H 3.960 0.020 . 597 59 59 TYR HB2 H 2.799 0.020 . 598 59 59 TYR HB3 H 3.494 0.020 . 599 59 59 TYR HD1 H 6.923 0.020 . 600 59 59 TYR HD2 H 6.923 0.020 . 601 59 59 TYR HE1 H 6.804 0.020 . 602 59 59 TYR HE2 H 6.804 0.020 . 603 59 59 TYR C C 177.950 0.300 . 604 59 59 TYR CA C 61.724 0.300 . 605 59 59 TYR CB C 38.105 0.300 . 606 59 59 TYR CD1 C 132.187 0.300 . 607 59 59 TYR CE1 C 118.414 0.300 . 608 59 59 TYR N N 121.792 0.300 . 609 60 60 GLU H H 8.775 0.020 . 610 60 60 GLU HA H 4.009 0.020 . 611 60 60 GLU HB2 H 2.159 0.020 . 612 60 60 GLU HB3 H 2.159 0.020 . 613 60 60 GLU HG2 H 2.531 0.020 . 614 60 60 GLU HG3 H 2.626 0.020 . 615 60 60 GLU C C 177.868 0.300 . 616 60 60 GLU CA C 58.515 0.300 . 617 60 60 GLU CB C 27.848 0.300 . 618 60 60 GLU CG C 33.723 0.300 . 619 60 60 GLU N N 119.981 0.300 . 620 61 61 LEU H H 7.855 0.020 . 621 61 61 LEU HA H 4.016 0.020 . 622 61 61 LEU HB2 H 1.919 0.020 . 623 61 61 LEU HB3 H 1.739 0.020 . 624 61 61 LEU HG H 1.583 0.020 . 625 61 61 LEU HD1 H 0.924 0.020 . 626 61 61 LEU HD2 H 0.897 0.020 . 627 61 61 LEU C C 178.751 0.300 . 628 61 61 LEU CA C 57.632 0.300 . 629 61 61 LEU CB C 41.961 0.300 . 630 61 61 LEU CG C 26.964 0.300 . 631 61 61 LEU CD1 C 23.684 0.300 . 632 61 61 LEU CD2 C 24.157 0.300 . 633 61 61 LEU N N 121.414 0.300 . 634 62 62 ILE H H 7.833 0.020 . 635 62 62 ILE HA H 3.423 0.020 . 636 62 62 ILE HB H 1.697 0.020 . 637 62 62 ILE HG12 H 0.656 0.020 . 638 62 62 ILE HG13 H 2.007 0.020 . 639 62 62 ILE HG2 H 0.929 0.020 . 640 62 62 ILE HD1 H 0.948 0.020 . 641 62 62 ILE C C 176.789 0.300 . 642 62 62 ILE CA C 65.394 0.300 . 643 62 62 ILE CB C 38.651 0.300 . 644 62 62 ILE CG1 C 29.738 0.300 . 645 62 62 ILE CG2 C 18.006 0.300 . 646 62 62 ILE CD1 C 15.244 0.300 . 647 62 62 ILE N N 116.821 0.300 . 648 63 63 SER H H 8.005 0.020 . 649 63 63 SER HA H 3.861 0.020 . 650 63 63 SER HB2 H 3.818 0.020 . 651 63 63 SER HB3 H 3.570 0.020 . 652 63 63 SER C C 174.875 0.300 . 653 63 63 SER CA C 61.298 0.300 . 654 63 63 SER CB C 62.920 0.300 . 655 63 63 SER N N 110.863 0.300 . 656 64 64 THR H H 7.468 0.020 . 657 64 64 THR HA H 4.358 0.020 . 658 64 64 THR HB H 4.472 0.020 . 659 64 64 THR HG2 H 1.297 0.020 . 660 64 64 THR C C 175.529 0.300 . 661 64 64 THR CA C 61.392 0.300 . 662 64 64 THR CB C 69.521 0.300 . 663 64 64 THR CG2 C 20.910 0.300 . 664 64 64 THR N N 107.160 0.300 . 665 65 65 LYS H H 7.307 0.020 . 666 65 65 LYS HA H 4.518 0.020 . 667 65 65 LYS HB2 H 2.157 0.020 . 668 65 65 LYS HB3 H 1.607 0.020 . 669 65 65 LYS HG2 H 2.125 0.020 . 670 65 65 LYS HG3 H 1.384 0.020 . 671 65 65 LYS HD2 H 1.601 0.020 . 672 65 65 LYS HD3 H 1.843 0.020 . 673 65 65 LYS HE2 H 2.804 0.020 . 674 65 65 LYS HE3 H 3.033 0.020 . 675 65 65 LYS C C 176.658 0.300 . 676 65 65 LYS CA C 53.057 0.300 . 677 65 65 LYS CB C 30.553 0.300 . 678 65 65 LYS CG C 23.351 0.300 . 679 65 65 LYS CD C 27.712 0.300 . 680 65 65 LYS CE C 41.902 0.300 . 681 65 65 LYS N N 123.090 0.300 . 682 66 66 PRO HA H 4.442 0.020 . 683 66 66 PRO HB2 H 2.117 0.020 . 684 66 66 PRO HB3 H 2.367 0.020 . 685 66 66 PRO HG2 H 2.039 0.020 . 686 66 66 PRO HG3 H 2.192 0.020 . 687 66 66 PRO HD2 H 3.641 0.020 . 688 66 66 PRO HD3 H 3.876 0.020 . 689 66 66 PRO C C 176.674 0.300 . 690 66 66 PRO CA C 65.003 0.300 . 691 66 66 PRO CB C 32.354 0.300 . 692 66 66 PRO CG C 27.180 0.300 . 693 66 66 PRO CD C 50.191 0.300 . 694 67 67 THR H H 6.838 0.020 . 695 67 67 THR HA H 4.775 0.020 . 696 67 67 THR HB H 4.584 0.020 . 697 67 67 THR HG1 H 4.810 0.020 . 698 67 67 THR HG2 H 1.230 0.020 . 699 67 67 THR C C 173.681 0.300 . 700 67 67 THR CA C 57.890 0.300 . 701 67 67 THR CB C 72.287 0.300 . 702 67 67 THR CG2 C 21.394 0.300 . 703 67 67 THR N N 105.374 0.300 . 704 68 68 ARG H H 9.015 0.020 . 705 68 68 ARG HA H 3.817 0.020 . 706 68 68 ARG HB2 H 2.082 0.020 . 707 68 68 ARG HB3 H 1.895 0.020 . 708 68 68 ARG HG2 H 1.705 0.020 . 709 68 68 ARG HG3 H 1.344 0.020 . 710 68 68 ARG HD2 H 3.085 0.020 . 711 68 68 ARG HD3 H 3.879 0.020 . 712 68 68 ARG HE H 7.433 0.020 . 713 68 68 ARG C C 177.754 0.300 . 714 68 68 ARG CA C 60.227 0.300 . 715 68 68 ARG CB C 29.416 0.300 . 716 68 68 ARG CG C 25.211 0.300 . 717 68 68 ARG CD C 41.955 0.300 . 718 68 68 ARG N N 123.583 0.300 . 719 68 68 ARG NE N 81.307 0.300 . 720 69 69 THR H H 8.137 0.020 . 721 69 69 THR HA H 3.776 0.020 . 722 69 69 THR HB H 3.999 0.020 . 723 69 69 THR HG2 H 1.263 0.020 . 724 69 69 THR C C 175.775 0.300 . 725 69 69 THR CA C 65.666 0.300 . 726 69 69 THR CB C 68.167 0.300 . 727 69 69 THR CG2 C 21.798 0.300 . 728 69 69 THR N N 109.224 0.300 . 729 70 70 ALA H H 7.634 0.020 . 730 70 70 ALA HA H 4.171 0.020 . 731 70 70 ALA HB H 1.492 0.020 . 732 70 70 ALA C C 180.877 0.300 . 733 70 70 ALA CA C 54.488 0.300 . 734 70 70 ALA CB C 19.149 0.300 . 735 70 70 ALA N N 122.266 0.300 . 736 71 71 LYS H H 8.291 0.020 . 737 71 71 LYS HA H 3.981 0.020 . 738 71 71 LYS HB2 H 2.091 0.020 . 739 71 71 LYS HB3 H 1.650 0.020 . 740 71 71 LYS HG2 H 1.950 0.020 . 741 71 71 LYS HG3 H 1.633 0.020 . 742 71 71 LYS HD2 H 1.574 0.020 . 743 71 71 LYS HD3 H 1.409 0.020 . 744 71 71 LYS HE2 H 2.868 0.020 . 745 71 71 LYS HE3 H 2.868 0.020 . 746 71 71 LYS C C 177.868 0.300 . 747 71 71 LYS CA C 60.317 0.300 . 748 71 71 LYS CB C 34.499 0.300 . 749 71 71 LYS CG C 25.069 0.300 . 750 71 71 LYS CD C 30.509 0.300 . 751 71 71 LYS CE C 42.274 0.300 . 752 71 71 LYS N N 120.246 0.300 . 753 72 72 VAL H H 8.598 0.020 . 754 72 72 VAL HA H 3.449 0.020 . 755 72 72 VAL HB H 2.199 0.020 . 756 72 72 VAL HG1 H 1.066 0.020 . 757 72 72 VAL HG2 H 1.227 0.020 . 758 72 72 VAL C C 177.884 0.300 . 759 72 72 VAL CA C 66.518 0.300 . 760 72 72 VAL CB C 31.440 0.300 . 761 72 72 VAL CG1 C 23.754 0.300 . 762 72 72 VAL CG2 C 22.887 0.300 . 763 72 72 VAL N N 118.334 0.300 . 764 73 73 ARG H H 8.648 0.020 . 765 73 73 ARG HA H 3.662 0.020 . 766 73 73 ARG HB2 H 1.831 0.020 . 767 73 73 ARG HB3 H 1.885 0.020 . 768 73 73 ARG HG2 H 1.716 0.020 . 769 73 73 ARG HG3 H 1.598 0.020 . 770 73 73 ARG HD2 H 3.317 0.020 . 771 73 73 ARG HD3 H 3.108 0.020 . 772 73 73 ARG HE H 7.366 0.020 . 773 73 73 ARG HH21 H 7.102 0.020 . 774 73 73 ARG C C 177.606 0.300 . 775 73 73 ARG CA C 60.422 0.300 . 776 73 73 ARG CB C 29.297 0.300 . 777 73 73 ARG CG C 27.860 0.300 . 778 73 73 ARG CD C 42.520 0.300 . 779 73 73 ARG N N 118.701 0.300 . 780 73 73 ARG NE N 83.008 0.300 . 781 74 74 GLN H H 7.776 0.020 . 782 74 74 GLN HA H 4.021 0.020 . 783 74 74 GLN HB2 H 2.100 0.020 . 784 74 74 GLN HB3 H 2.338 0.020 . 785 74 74 GLN HG2 H 2.283 0.020 . 786 74 74 GLN HG3 H 2.017 0.020 . 787 74 74 GLN HE21 H 7.695 0.020 . 788 74 74 GLN HE22 H 7.230 0.020 . 789 74 74 GLN C C 178.408 0.300 . 790 74 74 GLN CA C 57.603 0.300 . 791 74 74 GLN CB C 27.122 0.300 . 792 74 74 GLN CG C 33.592 0.300 . 793 74 74 GLN N N 117.289 0.300 . 794 74 74 GLN NE2 N 115.976 0.300 . 795 75 75 LEU H H 8.658 0.020 . 796 75 75 LEU HA H 4.113 0.020 . 797 75 75 LEU HB2 H 1.462 0.020 . 798 75 75 LEU HB3 H 2.486 0.020 . 799 75 75 LEU HG H 1.617 0.020 . 800 75 75 LEU HD1 H 0.888 0.020 . 801 75 75 LEU HD2 H 0.937 0.020 . 802 75 75 LEU C C 177.950 0.300 . 803 75 75 LEU CA C 58.576 0.300 . 804 75 75 LEU CB C 40.890 0.300 . 805 75 75 LEU CG C 26.802 0.300 . 806 75 75 LEU CD1 C 25.844 0.300 . 807 75 75 LEU CD2 C 23.124 0.300 . 808 75 75 LEU N N 124.294 0.300 . 809 76 76 LEU H H 8.526 0.020 . 810 76 76 LEU HA H 4.090 0.020 . 811 76 76 LEU HB2 H 1.924 0.020 . 812 76 76 LEU HB3 H 1.359 0.020 . 813 76 76 LEU HG H 2.155 0.020 . 814 76 76 LEU HD1 H 0.849 0.020 . 815 76 76 LEU HD2 H 0.855 0.020 . 816 76 76 LEU C C 179.602 0.300 . 817 76 76 LEU CA C 57.105 0.300 . 818 76 76 LEU CB C 39.101 0.300 . 819 76 76 LEU CG C 25.649 0.300 . 820 76 76 LEU CD1 C 26.668 0.300 . 821 76 76 LEU CD2 C 20.407 0.300 . 822 76 76 LEU N N 117.938 0.300 . 823 77 77 ASP H H 8.724 0.020 . 824 77 77 ASP HA H 4.396 0.020 . 825 77 77 ASP HB2 H 2.749 0.020 . 826 77 77 ASP HB3 H 2.749 0.020 . 827 77 77 ASP C C 178.490 0.300 . 828 77 77 ASP CA C 56.824 0.300 . 829 77 77 ASP CB C 38.678 0.300 . 830 77 77 ASP N N 122.507 0.300 . 831 78 78 THR H H 8.170 0.020 . 832 78 78 THR HA H 3.872 0.020 . 833 78 78 THR HB H 4.401 0.020 . 834 78 78 THR HG2 H 1.091 0.020 . 835 78 78 THR C C 175.529 0.300 . 836 78 78 THR CA C 66.379 0.300 . 837 78 78 THR CB C 67.781 0.300 . 838 78 78 THR CG2 C 21.993 0.300 . 839 78 78 THR N N 117.893 0.300 . 840 79 79 SER H H 8.106 0.020 . 841 79 79 SER HA H 3.320 0.020 . 842 79 79 SER HB2 H 4.248 0.020 . 843 79 79 SER HB3 H 3.870 0.020 . 844 79 79 SER C C 177.018 0.300 . 845 79 79 SER CA C 61.395 0.300 . 846 79 79 SER CB C 62.864 0.300 . 847 79 79 SER N N 118.865 0.300 . 848 80 80 ASP H H 7.490 0.020 . 849 80 80 ASP HA H 4.399 0.020 . 850 80 80 ASP HB2 H 2.929 0.020 . 851 80 80 ASP HB3 H 2.680 0.020 . 852 80 80 ASP C C 176.772 0.300 . 853 80 80 ASP CA C 56.589 0.300 . 854 80 80 ASP CB C 39.849 0.300 . 855 80 80 ASP N N 119.706 0.300 . 856 81 81 ILE H H 7.010 0.020 . 857 81 81 ILE HA H 4.118 0.020 . 858 81 81 ILE HB H 1.977 0.020 . 859 81 81 ILE HG12 H 1.502 0.020 . 860 81 81 ILE HG13 H 1.219 0.020 . 861 81 81 ILE HG2 H 0.864 0.020 . 862 81 81 ILE HD1 H 0.820 0.020 . 863 81 81 ILE C C 176.723 0.300 . 864 81 81 ILE CA C 61.435 0.300 . 865 81 81 ILE CB C 38.319 0.300 . 866 81 81 ILE CG1 C 27.199 0.300 . 867 81 81 ILE CG2 C 17.295 0.300 . 868 81 81 ILE CD1 C 12.444 0.300 . 869 81 81 ILE N N 114.777 0.300 . 870 82 82 GLN H H 7.762 0.020 . 871 82 82 GLN HA H 4.245 0.020 . 872 82 82 GLN HB2 H 0.974 0.020 . 873 82 82 GLN HB3 H 2.176 0.020 . 874 82 82 GLN HG2 H 2.193 0.020 . 875 82 82 GLN HG3 H 1.902 0.020 . 876 82 82 GLN HE21 H 7.378 0.020 . 877 82 82 GLN HE22 H 7.004 0.020 . 878 82 82 GLN C C 176.969 0.300 . 879 82 82 GLN CA C 55.431 0.300 . 880 82 82 GLN CB C 29.308 0.300 . 881 82 82 GLN CG C 33.000 0.300 . 882 82 82 GLN N N 117.865 0.300 . 883 82 82 GLN NE2 N 113.263 0.300 . 884 83 83 GLY H H 7.990 0.020 . 885 83 83 GLY HA2 H 4.499 0.020 . 886 83 83 GLY HA3 H 4.044 0.020 . 887 83 83 GLY C C 173.943 0.300 . 888 83 83 GLY CA C 44.658 0.300 . 889 83 83 GLY N N 105.886 0.300 . 890 84 84 GLU H H 8.374 0.020 . 891 84 84 GLU HA H 4.567 0.020 . 892 84 84 GLU HB2 H 2.224 0.020 . 893 84 84 GLU HB3 H 1.776 0.020 . 894 84 84 GLU HG2 H 2.613 0.020 . 895 84 84 GLU HG3 H 2.167 0.020 . 896 84 84 GLU C C 177.623 0.300 . 897 84 84 GLU CA C 57.896 0.300 . 898 84 84 GLU CB C 29.129 0.300 . 899 84 84 GLU CG C 33.104 0.300 . 900 84 84 GLU N N 120.484 0.300 . 901 85 85 GLU H H 8.731 0.020 . 902 85 85 GLU HA H 4.005 0.020 . 903 85 85 GLU HB2 H 2.139 0.020 . 904 85 85 GLU HB3 H 2.045 0.020 . 905 85 85 GLU HG2 H 2.420 0.020 . 906 85 85 GLU HG3 H 2.420 0.020 . 907 85 85 GLU C C 177.508 0.300 . 908 85 85 GLU CA C 59.521 0.300 . 909 85 85 GLU CB C 28.038 0.300 . 910 85 85 GLU CG C 35.301 0.300 . 911 85 85 GLU N N 119.064 0.300 . 912 86 86 PHE H H 7.729 0.020 . 913 86 86 PHE HA H 3.895 0.020 . 914 86 86 PHE HB2 H 2.909 0.020 . 915 86 86 PHE HB3 H 3.679 0.020 . 916 86 86 PHE HD1 H 7.209 0.020 . 917 86 86 PHE HD2 H 7.209 0.020 . 918 86 86 PHE HE1 H 7.168 0.020 . 919 86 86 PHE HE2 H 7.168 0.020 . 920 86 86 PHE HZ H 7.110 0.020 . 921 86 86 PHE C C 176.478 0.300 . 922 86 86 PHE CA C 59.270 0.300 . 923 86 86 PHE CB C 39.939 0.300 . 924 86 86 PHE CD1 C 132.646 0.300 . 925 86 86 PHE CE1 C 130.248 0.300 . 926 86 86 PHE CZ C 132.718 0.300 . 927 86 86 PHE N N 120.212 0.300 . 928 87 87 ALA H H 7.931 0.020 . 929 87 87 ALA HA H 4.017 0.020 . 930 87 87 ALA HB H 1.450 0.020 . 931 87 87 ALA C C 178.898 0.300 . 932 87 87 ALA CA C 54.916 0.300 . 933 87 87 ALA CB C 18.593 0.300 . 934 87 87 ALA N N 119.282 0.300 . 935 88 88 ARG H H 8.865 0.020 . 936 88 88 ARG HA H 3.572 0.020 . 937 88 88 ARG HB2 H 1.978 0.020 . 938 88 88 ARG HB3 H 1.805 0.020 . 939 88 88 ARG HG2 H 1.974 0.020 . 940 88 88 ARG HG3 H 1.469 0.020 . 941 88 88 ARG HD2 H 3.166 0.020 . 942 88 88 ARG HD3 H 3.100 0.020 . 943 88 88 ARG C C 178.146 0.300 . 944 88 88 ARG CA C 60.102 0.300 . 945 88 88 ARG CB C 29.677 0.300 . 946 88 88 ARG CG C 29.315 0.300 . 947 88 88 ARG CD C 43.280 0.300 . 948 88 88 ARG N N 116.947 0.300 . 949 89 89 VAL H H 7.446 0.020 . 950 89 89 VAL HA H 3.524 0.020 . 951 89 89 VAL HB H 2.103 0.020 . 952 89 89 VAL HG1 H 0.719 0.020 . 953 89 89 VAL HG2 H 0.929 0.020 . 954 89 89 VAL C C 176.985 0.300 . 955 89 89 VAL CA C 66.134 0.300 . 956 89 89 VAL CB C 31.112 0.300 . 957 89 89 VAL CG1 C 21.895 0.300 . 958 89 89 VAL CG2 C 22.841 0.300 . 959 89 89 VAL N N 119.133 0.300 . 960 90 90 ILE H H 6.956 0.020 . 961 90 90 ILE HA H 3.509 0.020 . 962 90 90 ILE HB H 2.155 0.020 . 963 90 90 ILE HG12 H 1.845 0.020 . 964 90 90 ILE HG13 H 0.825 0.020 . 965 90 90 ILE HG2 H 0.845 0.020 . 966 90 90 ILE HD1 H 1.007 0.020 . 967 90 90 ILE C C 177.050 0.300 . 968 90 90 ILE CA C 64.843 0.300 . 969 90 90 ILE CB C 37.691 0.300 . 970 90 90 ILE CG1 C 28.442 0.300 . 971 90 90 ILE CG2 C 16.257 0.300 . 972 90 90 ILE CD1 C 13.927 0.300 . 973 90 90 ILE N N 117.890 0.300 . 974 91 91 VAL H H 8.155 0.020 . 975 91 91 VAL HA H 3.427 0.020 . 976 91 91 VAL HB H 1.843 0.020 . 977 91 91 VAL HG1 H 0.346 0.020 . 978 91 91 VAL HG2 H 1.107 0.020 . 979 91 91 VAL C C 176.560 0.300 . 980 91 91 VAL CA C 67.128 0.300 . 981 91 91 VAL CB C 31.010 0.300 . 982 91 91 VAL CG1 C 21.250 0.300 . 983 91 91 VAL CG2 C 23.877 0.300 . 984 91 91 VAL N N 117.465 0.300 . 985 92 92 GLN H H 8.142 0.020 . 986 92 92 GLN HA H 3.653 0.020 . 987 92 92 GLN HB2 H 2.142 0.020 . 988 92 92 GLN HB3 H 2.069 0.020 . 989 92 92 GLN HG2 H 2.331 0.020 . 990 92 92 GLN HG3 H 2.250 0.020 . 991 92 92 GLN HE21 H 7.810 0.020 . 992 92 92 GLN HE22 H 6.722 0.020 . 993 92 92 GLN C C 177.737 0.300 . 994 92 92 GLN CA C 58.224 0.300 . 995 92 92 GLN CB C 28.008 0.300 . 996 92 92 GLN CG C 33.133 0.300 . 997 92 92 GLN N N 117.437 0.300 . 998 92 92 GLN NE2 N 114.665 0.300 . 999 93 93 LYS H H 8.170 0.020 . 1000 93 93 LYS HA H 4.085 0.020 . 1001 93 93 LYS HB2 H 2.150 0.020 . 1002 93 93 LYS HB3 H 1.626 0.020 . 1003 93 93 LYS HG2 H 1.222 0.020 . 1004 93 93 LYS HG3 H 1.715 0.020 . 1005 93 93 LYS HD2 H 1.672 0.020 . 1006 93 93 LYS HD3 H 1.502 0.020 . 1007 93 93 LYS HE2 H 2.734 0.020 . 1008 93 93 LYS HE3 H 2.734 0.020 . 1009 93 93 LYS C C 180.043 0.300 . 1010 93 93 LYS CA C 56.889 0.300 . 1011 93 93 LYS CB C 29.563 0.300 . 1012 93 93 LYS CG C 23.335 0.300 . 1013 93 93 LYS CD C 26.699 0.300 . 1014 93 93 LYS CE C 41.523 0.300 . 1015 93 93 LYS N N 116.790 0.300 . 1016 94 94 LEU H H 8.415 0.020 . 1017 94 94 LEU HA H 4.167 0.020 . 1018 94 94 LEU HB2 H 2.366 0.020 . 1019 94 94 LEU HB3 H 2.109 0.020 . 1020 94 94 LEU HG H 1.850 0.020 . 1021 94 94 LEU HD1 H 1.147 0.020 . 1022 94 94 LEU HD2 H 1.076 0.020 . 1023 94 94 LEU C C 177.770 0.300 . 1024 94 94 LEU CA C 58.809 0.300 . 1025 94 94 LEU CB C 41.585 0.300 . 1026 94 94 LEU CG C 26.277 0.300 . 1027 94 94 LEU CD1 C 26.894 0.300 . 1028 94 94 LEU CD2 C 23.683 0.300 . 1029 94 94 LEU N N 124.515 0.300 . 1030 95 95 LYS H H 7.717 0.020 . 1031 95 95 LYS HA H 3.209 0.020 . 1032 95 95 LYS HB2 H 1.548 0.020 . 1033 95 95 LYS HB3 H 0.996 0.020 . 1034 95 95 LYS HG2 H 0.676 0.020 . 1035 95 95 LYS HG3 H 0.770 0.020 . 1036 95 95 LYS HD2 H 1.162 0.020 . 1037 95 95 LYS HD3 H 1.162 0.020 . 1038 95 95 LYS HE2 H 2.680 0.020 . 1039 95 95 LYS HE3 H 2.680 0.020 . 1040 95 95 LYS C C 181.139 0.300 . 1041 95 95 LYS CA C 59.333 0.300 . 1042 95 95 LYS CB C 31.471 0.300 . 1043 95 95 LYS CG C 24.226 0.300 . 1044 95 95 LYS CD C 29.035 0.300 . 1045 95 95 LYS CE C 41.494 0.300 . 1046 95 95 LYS N N 120.318 0.300 . 1047 96 96 ASP H H 9.055 0.020 . 1048 96 96 ASP HA H 4.309 0.020 . 1049 96 96 ASP HB2 H 2.744 0.020 . 1050 96 96 ASP HB3 H 2.701 0.020 . 1051 96 96 ASP C C 177.247 0.300 . 1052 96 96 ASP CA C 56.479 0.300 . 1053 96 96 ASP CB C 39.937 0.300 . 1054 96 96 ASP N N 122.120 0.300 . 1055 97 97 ASN H H 7.726 0.020 . 1056 97 97 ASN HA H 4.598 0.020 . 1057 97 97 ASN HB2 H 2.842 0.020 . 1058 97 97 ASN HB3 H 2.918 0.020 . 1059 97 97 ASN HD21 H 7.855 0.020 . 1060 97 97 ASN HD22 H 7.495 0.020 . 1061 97 97 ASN C C 172.504 0.300 . 1062 97 97 ASN CA C 53.997 0.300 . 1063 97 97 ASN CB C 38.777 0.300 . 1064 97 97 ASN N N 116.611 0.300 . 1065 97 97 ASN ND2 N 113.127 0.300 . 1066 98 98 LYS H H 8.254 0.020 . 1067 98 98 LYS HA H 3.850 0.020 . 1068 98 98 LYS HB2 H 2.049 0.020 . 1069 98 98 LYS HB3 H 1.931 0.020 . 1070 98 98 LYS HG2 H 1.373 0.020 . 1071 98 98 LYS HG3 H 1.373 0.020 . 1072 98 98 LYS HD2 H 1.733 0.020 . 1073 98 98 LYS HD3 H 1.672 0.020 . 1074 98 98 LYS HE2 H 3.015 0.020 . 1075 98 98 LYS HE3 H 3.015 0.020 . 1076 98 98 LYS C C 176.511 0.300 . 1077 98 98 LYS CA C 56.623 0.300 . 1078 98 98 LYS CB C 28.711 0.300 . 1079 98 98 LYS CG C 24.609 0.300 . 1080 98 98 LYS CD C 28.841 0.300 . 1081 98 98 LYS CE C 41.928 0.300 . 1082 98 98 LYS N N 116.507 0.300 . 1083 99 99 GLN H H 7.534 0.020 . 1084 99 99 GLN HA H 4.600 0.020 . 1085 99 99 GLN HB2 H 2.236 0.020 . 1086 99 99 GLN HB3 H 2.133 0.020 . 1087 99 99 GLN HG2 H 2.569 0.020 . 1088 99 99 GLN HG3 H 2.284 0.020 . 1089 99 99 GLN HE21 H 7.508 0.020 . 1090 99 99 GLN HE22 H 7.005 0.020 . 1091 99 99 GLN C C 178.359 0.300 . 1092 99 99 GLN CA C 55.960 0.300 . 1093 99 99 GLN CB C 24.883 0.300 . 1094 99 99 GLN CG C 34.665 0.300 . 1095 99 99 GLN N N 117.946 0.300 . 1096 99 99 GLN NE2 N 111.257 0.300 . 1097 100 100 MET H H 8.509 0.020 . 1098 100 100 MET HA H 4.511 0.020 . 1099 100 100 MET HB2 H 2.230 0.020 . 1100 100 100 MET HB3 H 2.174 0.020 . 1101 100 100 MET HG2 H 2.847 0.020 . 1102 100 100 MET HG3 H 2.567 0.020 . 1103 100 100 MET HE H 2.114 0.020 . 1104 100 100 MET C C 178.113 0.300 . 1105 100 100 MET CA C 56.410 0.300 . 1106 100 100 MET CB C 30.465 0.300 . 1107 100 100 MET CG C 31.852 0.300 . 1108 100 100 MET CE C 16.494 0.300 . 1109 100 100 MET N N 124.168 0.300 . 1110 101 101 GLY H H 8.817 0.020 . 1111 101 101 GLY HA2 H 4.109 0.020 . 1112 101 101 GLY HA3 H 4.109 0.020 . 1113 101 101 GLY C C 174.695 0.300 . 1114 101 101 GLY CA C 46.056 0.300 . 1115 101 101 GLY N N 109.102 0.300 . 1116 102 102 LEU H H 6.918 0.020 . 1117 102 102 LEU HA H 4.319 0.020 . 1118 102 102 LEU HB2 H 1.737 0.020 . 1119 102 102 LEU HB3 H 1.790 0.020 . 1120 102 102 LEU HG H 1.550 0.020 . 1121 102 102 LEU HD1 H 1.063 0.020 . 1122 102 102 LEU HD2 H 0.499 0.020 . 1123 102 102 LEU C C 174.875 0.300 . 1124 102 102 LEU CA C 53.140 0.300 . 1125 102 102 LEU CB C 41.777 0.300 . 1126 102 102 LEU CG C 26.297 0.300 . 1127 102 102 LEU CD1 C 28.450 0.300 . 1128 102 102 LEU CD2 C 23.632 0.300 . 1129 102 102 LEU N N 117.705 0.300 . 1130 103 103 GLN H H 7.160 0.020 . 1131 103 103 GLN HA H 3.823 0.020 . 1132 103 103 GLN HB2 H 2.299 0.020 . 1133 103 103 GLN HB3 H 2.128 0.020 . 1134 103 103 GLN HG2 H 2.568 0.020 . 1135 103 103 GLN HG3 H 2.568 0.020 . 1136 103 103 GLN C C 173.240 0.300 . 1137 103 103 GLN CA C 54.920 0.300 . 1138 103 103 GLN CB C 27.189 0.300 . 1139 103 103 GLN CG C 33.561 0.300 . 1140 103 103 GLN N N 117.237 0.300 . 1141 104 104 PRO HA H 4.742 0.020 . 1142 104 104 PRO HB2 H 2.471 0.020 . 1143 104 104 PRO HB3 H 2.152 0.020 . 1144 104 104 PRO HG2 H 2.010 0.020 . 1145 104 104 PRO HG3 H 1.965 0.020 . 1146 104 104 PRO HD2 H 3.561 0.020 . 1147 104 104 PRO HD3 H 3.528 0.020 . 1148 104 104 PRO C C 175.660 0.300 . 1149 104 104 PRO CA C 61.402 0.300 . 1150 104 104 PRO CB C 34.287 0.300 . 1151 104 104 PRO CG C 24.147 0.300 . 1152 104 104 PRO CD C 50.505 0.300 . 1153 105 105 TYR H H 8.817 0.020 . 1154 105 105 TYR HA H 4.129 0.020 . 1155 105 105 TYR HB2 H 2.550 0.020 . 1156 105 105 TYR HB3 H 2.550 0.020 . 1157 105 105 TYR HD1 H 6.690 0.020 . 1158 105 105 TYR HD2 H 6.690 0.020 . 1159 105 105 TYR HE1 H 6.682 0.020 . 1160 105 105 TYR HE2 H 6.682 0.020 . 1161 105 105 TYR C C 173.174 0.300 . 1162 105 105 TYR CA C 57.300 0.300 . 1163 105 105 TYR CB C 37.546 0.300 . 1164 105 105 TYR CD1 C 131.911 0.300 . 1165 105 105 TYR CE1 C 117.867 0.300 . 1166 105 105 TYR N N 122.219 0.300 . 1167 106 106 PRO HA H 4.475 0.020 . 1168 106 106 PRO HB2 H 1.581 0.020 . 1169 106 106 PRO HB3 H 2.084 0.020 . 1170 106 106 PRO HG2 H 1.477 0.020 . 1171 106 106 PRO HG3 H 1.412 0.020 . 1172 106 106 PRO HD2 H 2.711 0.020 . 1173 106 106 PRO HD3 H 1.706 0.020 . 1174 106 106 PRO C C 176.020 0.300 . 1175 106 106 PRO CA C 62.137 0.300 . 1176 106 106 PRO CB C 30.808 0.300 . 1177 106 106 PRO CG C 26.671 0.300 . 1178 106 106 PRO CD C 47.854 0.300 . 1179 107 107 GLU H H 8.647 0.020 . 1180 107 107 GLU HA H 4.165 0.020 . 1181 107 107 GLU HB2 H 2.050 0.020 . 1182 107 107 GLU HB3 H 1.946 0.020 . 1183 107 107 GLU HG2 H 2.353 0.020 . 1184 107 107 GLU HG3 H 2.315 0.020 . 1185 107 107 GLU C C 175.938 0.300 . 1186 107 107 GLU CA C 56.505 0.300 . 1187 107 107 GLU CB C 28.539 0.300 . 1188 107 107 GLU CG C 34.432 0.300 . 1189 107 107 GLU N N 123.427 0.300 . 1190 108 108 VAL H H 7.838 0.020 . 1191 108 108 VAL HA H 4.117 0.020 . 1192 108 108 VAL HB H 2.058 0.020 . 1193 108 108 VAL HG1 H 0.840 0.020 . 1194 108 108 VAL HG2 H 0.830 0.020 . 1195 108 108 VAL C C 174.810 0.300 . 1196 108 108 VAL CA C 61.460 0.300 . 1197 108 108 VAL CB C 32.300 0.300 . 1198 108 108 VAL CG1 C 20.770 0.300 . 1199 108 108 VAL CG2 C 19.544 0.300 . 1200 108 108 VAL N N 117.874 0.300 . 1201 109 109 LEU H H 7.930 0.020 . 1202 109 109 LEU HA H 4.349 0.020 . 1203 109 109 LEU HB2 H 1.590 0.020 . 1204 109 109 LEU HB3 H 1.541 0.020 . 1205 109 109 LEU HG H 1.515 0.020 . 1206 109 109 LEU HD1 H 0.827 0.020 . 1207 109 109 LEU HD2 H 0.790 0.020 . 1208 109 109 LEU C C 176.249 0.300 . 1209 109 109 LEU CA C 54.321 0.300 . 1210 109 109 LEU CB C 41.977 0.300 . 1211 109 109 LEU CG C 26.547 0.300 . 1212 109 109 LEU CD1 C 24.643 0.300 . 1213 109 109 LEU CD2 C 23.031 0.300 . 1214 109 109 LEU N N 123.085 0.300 . 1215 110 110 LEU H H 8.060 0.020 . 1216 110 110 LEU HA H 4.348 0.020 . 1217 110 110 LEU HB2 H 1.593 0.020 . 1218 110 110 LEU HB3 H 1.525 0.020 . 1219 110 110 LEU HG H 1.544 0.020 . 1220 110 110 LEU HD1 H 0.834 0.020 . 1221 110 110 LEU HD2 H 0.767 0.020 . 1222 110 110 LEU C C 176.445 0.300 . 1223 110 110 LEU CA C 54.554 0.300 . 1224 110 110 LEU CB C 41.923 0.300 . 1225 110 110 LEU CG C 26.538 0.300 . 1226 110 110 LEU CD1 C 24.633 0.300 . 1227 110 110 LEU CD2 C 23.044 0.300 . 1228 110 110 LEU N N 122.677 0.300 . 1229 111 111 VAL H H 7.956 0.020 . 1230 111 111 VAL HA H 4.134 0.020 . 1231 111 111 VAL HB H 2.040 0.020 . 1232 111 111 VAL HG1 H 0.898 0.020 . 1233 111 111 VAL HG2 H 0.893 0.020 . 1234 111 111 VAL C C 175.448 0.300 . 1235 111 111 VAL CA C 61.500 0.300 . 1236 111 111 VAL CB C 32.600 0.300 . 1237 111 111 VAL CG1 C 20.689 0.300 . 1238 111 111 VAL CG2 C 20.004 0.300 . 1239 111 111 VAL N N 120.421 0.300 . 1240 112 112 SER H H 8.377 0.020 . 1241 112 112 SER HA H 4.448 0.020 . 1242 112 112 SER HB2 H 3.828 0.020 . 1243 112 112 SER HB3 H 3.828 0.020 . 1244 112 112 SER C C 173.534 0.300 . 1245 112 112 SER CA C 57.710 0.300 . 1246 112 112 SER CB C 63.469 0.300 . 1247 112 112 SER N N 119.937 0.300 . 1248 113 113 ARG H H 8.402 0.020 . 1249 113 113 ARG HA H 4.412 0.020 . 1250 113 113 ARG HB2 H 1.864 0.020 . 1251 113 113 ARG HB3 H 1.743 0.020 . 1252 113 113 ARG HG2 H 1.628 0.020 . 1253 113 113 ARG HG3 H 1.594 0.020 . 1254 113 113 ARG HD2 H 3.182 0.020 . 1255 113 113 ARG HD3 H 3.182 0.020 . 1256 113 113 ARG C C 175.709 0.300 . 1257 113 113 ARG CA C 55.502 0.300 . 1258 113 113 ARG CB C 30.521 0.300 . 1259 113 113 ARG CG C 26.660 0.300 . 1260 113 113 ARG CD C 42.911 0.300 . 1261 113 113 ARG N N 123.320 0.300 . 1262 114 114 THR H H 8.267 0.020 . 1263 114 114 THR HA H 4.577 0.020 . 1264 114 114 THR HB H 4.159 0.020 . 1265 114 114 THR HG2 H 1.239 0.020 . 1266 114 114 THR C C 172.504 0.300 . 1267 114 114 THR CA C 59.450 0.300 . 1268 114 114 THR CB C 69.219 0.300 . 1269 114 114 THR CG2 C 21.105 0.300 . 1270 114 114 THR N N 118.114 0.300 . 1271 115 115 PRO HA H 4.440 0.020 . 1272 115 115 PRO HB2 H 2.323 0.020 . 1273 115 115 PRO HB3 H 1.946 0.020 . 1274 115 115 PRO HG2 H 2.053 0.020 . 1275 115 115 PRO HG3 H 1.971 0.020 . 1276 115 115 PRO HD2 H 3.865 0.020 . 1277 115 115 PRO HD3 H 3.720 0.020 . 1278 115 115 PRO C C 176.576 0.300 . 1279 115 115 PRO CA C 62.998 0.300 . 1280 115 115 PRO CB C 31.693 0.300 . 1281 115 115 PRO CG C 26.991 0.300 . 1282 115 115 PRO CD C 50.681 0.300 . 1283 116 116 SER H H 8.387 0.020 . 1284 116 116 SER HA H 4.440 0.020 . 1285 116 116 SER HB2 H 3.915 0.020 . 1286 116 116 SER HB3 H 3.857 0.020 . 1287 116 116 SER C C 174.254 0.300 . 1288 116 116 SER CA C 57.958 0.300 . 1289 116 116 SER CB C 63.392 0.300 . 1290 116 116 SER N N 115.958 0.300 . 1291 117 117 SER H H 8.300 0.020 . 1292 117 117 SER HA H 4.442 0.020 . 1293 117 117 SER HB2 H 3.900 0.020 . 1294 117 117 SER HB3 H 3.848 0.020 . 1295 117 117 SER C C 173.829 0.300 . 1296 117 117 SER CA C 57.988 0.300 . 1297 117 117 SER CB C 63.402 0.300 . 1298 117 117 SER N N 117.324 0.300 . 1299 118 118 ASN H H 8.422 0.020 . 1300 118 118 ASN HA H 4.710 0.020 . 1301 118 118 ASN HB2 H 2.823 0.020 . 1302 118 118 ASN HB3 H 2.754 0.020 . 1303 118 118 ASN C C 174.826 0.300 . 1304 118 118 ASN CA C 52.930 0.300 . 1305 118 118 ASN CB C 38.299 0.300 . 1306 118 118 ASN N N 120.845 0.300 . 1307 119 119 VAL H H 7.991 0.020 . 1308 119 119 VAL HA H 4.081 0.020 . 1309 119 119 VAL HB H 2.090 0.020 . 1310 119 119 VAL HG1 H 0.920 0.020 . 1311 119 119 VAL HG2 H 0.928 0.020 . 1312 119 119 VAL C C 175.807 0.300 . 1313 119 119 VAL CA C 62.240 0.300 . 1314 119 119 VAL CB C 32.118 0.300 . 1315 119 119 VAL CG1 C 20.697 0.300 . 1316 119 119 VAL CG2 C 19.994 0.300 . 1317 119 119 VAL N N 119.968 0.300 . 1318 120 120 LEU H H 8.217 0.020 . 1319 120 120 LEU HA H 4.331 0.020 . 1320 120 120 LEU HB2 H 1.655 0.020 . 1321 120 120 LEU HB3 H 1.567 0.020 . 1322 120 120 LEU HG H 1.607 0.020 . 1323 120 120 LEU HD1 H 0.920 0.020 . 1324 120 120 LEU HD2 H 0.862 0.020 . 1325 120 120 LEU C C 176.854 0.300 . 1326 120 120 LEU CA C 54.844 0.300 . 1327 120 120 LEU CB C 41.686 0.300 . 1328 120 120 LEU CG C 26.568 0.300 . 1329 120 120 LEU CD1 C 24.477 0.300 . 1330 120 120 LEU CD2 C 23.002 0.300 . 1331 120 120 LEU N N 124.920 0.300 . 1332 121 121 GLN H H 8.247 0.020 . 1333 121 121 GLN HA H 4.304 0.020 . 1334 121 121 GLN HB2 H 2.083 0.020 . 1335 121 121 GLN HB3 H 1.964 0.020 . 1336 121 121 GLN HG2 H 2.345 0.020 . 1337 121 121 GLN HG3 H 2.345 0.020 . 1338 121 121 GLN C C 175.170 0.300 . 1339 121 121 GLN CA C 55.436 0.300 . 1340 121 121 GLN CB C 28.995 0.300 . 1341 121 121 GLN CG C 33.345 0.300 . 1342 121 121 GLN N N 120.699 0.300 . 1343 122 122 ASN H H 8.358 0.020 . 1344 122 122 ASN HA H 4.673 0.020 . 1345 122 122 ASN HB2 H 2.816 0.020 . 1346 122 122 ASN HB3 H 2.751 0.020 . 1347 122 122 ASN C C 174.532 0.300 . 1348 122 122 ASN CA C 52.879 0.300 . 1349 122 122 ASN CB C 38.417 0.300 . 1350 122 122 ASN N N 119.796 0.300 . 1351 123 123 LYS H H 8.257 0.020 . 1352 123 123 LYS HA H 4.390 0.020 . 1353 123 123 LYS HB2 H 1.858 0.020 . 1354 123 123 LYS HB3 H 1.756 0.020 . 1355 123 123 LYS HG2 H 1.431 0.020 . 1356 123 123 LYS HG3 H 1.403 0.020 . 1357 123 123 LYS HD2 H 1.676 0.020 . 1358 123 123 LYS HD3 H 1.676 0.020 . 1359 123 123 LYS HE2 H 2.989 0.020 . 1360 123 123 LYS HE3 H 2.989 0.020 . 1361 123 123 LYS C C 176.004 0.300 . 1362 123 123 LYS CA C 55.929 0.300 . 1363 123 123 LYS CB C 32.745 0.300 . 1364 123 123 LYS CG C 24.214 0.300 . 1365 123 123 LYS CD C 28.649 0.300 . 1366 123 123 LYS CE C 41.746 0.300 . 1367 123 123 LYS N N 121.738 0.300 . 1368 124 124 THR H H 8.205 0.020 . 1369 124 124 THR HA H 4.319 0.020 . 1370 124 124 THR HB H 4.211 0.020 . 1371 124 124 THR HG2 H 1.202 0.020 . 1372 124 124 THR C C 173.289 0.300 . 1373 124 124 THR CA C 61.522 0.300 . 1374 124 124 THR CB C 69.454 0.300 . 1375 124 124 THR CG2 C 21.208 0.300 . 1376 124 124 THR N N 116.268 0.300 . 1377 125 125 LEU H H 7.982 0.020 . 1378 125 125 LEU HA H 4.227 0.020 . 1379 125 125 LEU HB2 H 1.594 0.020 . 1380 125 125 LEU HB3 H 1.594 0.020 . 1381 125 125 LEU HG H 1.600 0.020 . 1382 125 125 LEU HD1 H 0.903 0.020 . 1383 125 125 LEU HD2 H 0.856 0.020 . 1384 125 125 LEU C C 181.123 0.300 . 1385 125 125 LEU CA C 55.899 0.300 . 1386 125 125 LEU CB C 42.671 0.300 . 1387 125 125 LEU CG C 26.779 0.300 . 1388 125 125 LEU CD1 C 24.702 0.300 . 1389 125 125 LEU CD2 C 23.207 0.300 . 1390 125 125 LEU N N 129.323 0.300 . stop_ save_