data_30102 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the yeast Ddi1 HDD domain ; _BMRB_accession_number 30102 _BMRB_flat_file_name bmr30102.str _Entry_type original _Submission_date 2016-06-10 _Accession_date 2016-06-10 _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 Trempe J.-F. . . 2 Ratcliffe C. . . 3 Veverka V. . . 4 Saskova K. . . 5 Gehring K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 721 "13C chemical shifts" 507 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-30 original BMRB . stop_ _Original_release_date 2016-09-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural studies of the yeast DNA damage-inducible protein Ddi1 reveal domain architecture of this eukaryotic protein family. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27646017 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Trempe J. F. . 2 Saskova K. G. . 3 Siva M. . . 4 Ratcliffe C. D. . 5 Veverka V. . . 6 Hoegl A. . . 7 Menade M. . . 8 Feng X. . . 9 Shenker S. . . 10 Svoboda M. . . 11 Kozisek M. . . 12 Konvalinka J. . . 13 Gehring K. . . stop_ _Journal_abbreviation 'Sci. Rep.' _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 33671 _Page_last 33671 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA damage-inducible protein 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 13309.941 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; GPLGSATLSDEAFIEQFRQE LLNNQMLRSQLILQIPGLND LVNDPLLFRERLGPLILQRR YGGYNTAMNPFGIPQDEYTR LMANPDDPDNKKRIAELLDQ QAIDEQLRNAIEYTPE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 81 GLY 2 82 PRO 3 83 LEU 4 84 GLY 5 85 SER 6 86 ALA 7 87 THR 8 88 LEU 9 89 SER 10 90 ASP 11 91 GLU 12 92 ALA 13 93 PHE 14 94 ILE 15 95 GLU 16 96 GLN 17 97 PHE 18 98 ARG 19 99 GLN 20 100 GLU 21 101 LEU 22 102 LEU 23 103 ASN 24 104 ASN 25 105 GLN 26 106 MET 27 107 LEU 28 108 ARG 29 109 SER 30 110 GLN 31 111 LEU 32 112 ILE 33 113 LEU 34 114 GLN 35 115 ILE 36 116 PRO 37 117 GLY 38 118 LEU 39 119 ASN 40 120 ASP 41 121 LEU 42 122 VAL 43 123 ASN 44 124 ASP 45 125 PRO 46 126 LEU 47 127 LEU 48 128 PHE 49 129 ARG 50 130 GLU 51 131 ARG 52 132 LEU 53 133 GLY 54 134 PRO 55 135 LEU 56 136 ILE 57 137 LEU 58 138 GLN 59 139 ARG 60 140 ARG 61 141 TYR 62 142 GLY 63 143 GLY 64 144 TYR 65 145 ASN 66 146 THR 67 147 ALA 68 148 MET 69 149 ASN 70 150 PRO 71 151 PHE 72 152 GLY 73 153 ILE 74 154 PRO 75 155 GLN 76 156 ASP 77 157 GLU 78 158 TYR 79 159 THR 80 160 ARG 81 161 LEU 82 162 MET 83 163 ALA 84 164 ASN 85 165 PRO 86 166 ASP 87 167 ASP 88 168 PRO 89 169 ASP 90 170 ASN 91 171 LYS 92 172 LYS 93 173 ARG 94 174 ILE 95 175 ALA 96 176 GLU 97 177 LEU 98 178 LEU 99 179 ASP 100 180 GLN 101 181 GLN 102 182 ALA 103 183 ILE 104 184 ASP 105 185 GLU 106 186 GLN 107 187 LEU 108 188 ARG 109 189 ASN 110 190 ALA 111 191 ILE 112 192 GLU 113 193 TYR 114 194 THR 115 195 PRO 116 196 GLU 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 _Strain _Gene_mnemonic $entity_1 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'DDI1, VSM1, YER143W' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . K12 plasmid pGEX-6P1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] Ddi1 86-196, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-15N] Ddi1 86-196, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name MODULE _Version . loop_ _Vendor _Address _Electronic_address 'M. Blackledge' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name XPLOR-NIH _Version 2.40 loop_ _Vendor _Address _Electronic_address 'C.D. Schwieters, J.J. Kuszewski, N. Tjandra, and G.M. Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'RT probe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_het_NOE_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N het NOE' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC-IPAP_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-IPAP' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC-IPAP_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-IPAP' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_15N/1H_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/1H NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_13C/1H_HSQC-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/1H HSQC-NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 110 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 110 . mM pH 6.5 . 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_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-15N het NOE' '2D 1H-15N HSQC-IPAP' '3D CBCA(CO)NH' '3D HNCACB' '3D 15N/1H NOESY-HSQC' '3D 13C/1H HSQC-NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_2 $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 82 2 PRO HA H 4.506 0.015 . 2 82 2 PRO HB2 H 2.379 0.015 . 3 82 2 PRO HB3 H 2.026 0.015 . 4 82 2 PRO HG2 H 2.069 0.015 . 5 82 2 PRO HG3 H 2.069 0.015 . 6 82 2 PRO HD2 H 3.602 0.015 . 7 82 2 PRO HD3 H 3.602 0.015 . 8 82 2 PRO C C 177.054 0.150 . 9 82 2 PRO CA C 63.267 0.150 . 10 82 2 PRO CB C 32.378 0.150 . 11 82 2 PRO CG C 27.132 0.150 . 12 82 2 PRO CD C 49.765 0.150 . 13 83 3 LEU H H 8.531 0.015 . 14 83 3 LEU HA H 4.381 0.015 . 15 83 3 LEU HB2 H 1.704 0.015 . 16 83 3 LEU HB3 H 1.704 0.015 . 17 83 3 LEU HG H 1.696 0.015 . 18 83 3 LEU HD1 H 0.946 0.015 . 19 83 3 LEU HD2 H 0.946 0.015 . 20 83 3 LEU C C 177.987 0.150 . 21 83 3 LEU CA C 55.471 0.150 . 22 83 3 LEU CB C 42.376 0.150 . 23 83 3 LEU CG C 27.086 0.150 . 24 83 3 LEU CD1 C 25.073 0.150 . 25 83 3 LEU CD2 C 23.685 0.150 . 26 83 3 LEU N N 122.211 0.150 . 27 84 4 GLY H H 8.441 0.015 . 28 84 4 GLY HA2 H 4.024 0.015 . 29 84 4 GLY HA3 H 4.024 0.015 . 30 84 4 GLY C C 174.489 0.150 . 31 84 4 GLY CA C 45.596 0.150 . 32 84 4 GLY N N 109.616 0.150 . 33 85 5 SER H H 8.222 0.015 . 34 85 5 SER HA H 4.481 0.015 . 35 85 5 SER HB2 H 3.926 0.015 . 36 85 5 SER HB3 H 3.926 0.015 . 37 85 5 SER C C 174.797 0.150 . 38 85 5 SER CA C 58.636 0.150 . 39 85 5 SER CB C 64.021 0.150 . 40 85 5 SER N N 115.65 0.150 . 41 86 6 ALA H H 8.417 0.015 . 42 86 6 ALA HA H 4.422 0.015 . 43 86 6 ALA HB H 1.478 0.015 . 44 86 6 ALA C C 178.042 0.150 . 45 86 6 ALA CA C 53.172 0.150 . 46 86 6 ALA CB C 19.307 0.150 . 47 86 6 ALA N N 125.541 0.150 . 48 87 7 THR H H 8.088 0.015 . 49 87 7 THR HA H 4.341 0.015 . 50 87 7 THR HB H 4.273 0.015 . 51 87 7 THR HG2 H 1.24 0.015 . 52 87 7 THR C C 174.841 0.150 . 53 87 7 THR CA C 62.036 0.150 . 54 87 7 THR CB C 69.774 0.150 . 55 87 7 THR CG2 C 21.777 0.150 . 56 87 7 THR N N 111.804 0.150 . 57 88 8 LEU H H 8.107 0.015 . 58 88 8 LEU HA H 4.513 0.015 . 59 88 8 LEU HB2 H 1.797 0.015 . 60 88 8 LEU HB3 H 1.75 0.015 . 61 88 8 LEU HG H 1.861 0.015 . 62 88 8 LEU HD1 H 1 0.015 . 63 88 8 LEU HD2 H 0.964 0.015 . 64 88 8 LEU C C 178.343 0.150 . 65 88 8 LEU CA C 55.218 0.150 . 66 88 8 LEU CB C 43.324 0.150 . 67 88 8 LEU CG C 26.986 0.150 . 68 88 8 LEU CD1 C 25.509 0.150 . 69 88 8 LEU CD2 C 23.947 0.150 . 70 88 8 LEU N N 124.079 0.150 . 71 89 9 SER H H 8.86 0.015 . 72 89 9 SER HA H 4.507 0.015 . 73 89 9 SER HB2 H 4.421 0.015 . 74 89 9 SER HB3 H 4.178 0.015 . 75 89 9 SER C C 174.681 0.150 . 76 89 9 SER CA C 58.108 0.150 . 77 89 9 SER CB C 64.449 0.150 . 78 89 9 SER N N 120.867 0.150 . 79 90 10 ASP H H 9.114 0.015 . 80 90 10 ASP HA H 4.374 0.015 . 81 90 10 ASP HB2 H 2.771 0.015 . 82 90 10 ASP HB3 H 2.771 0.015 . 83 90 10 ASP C C 178.16 0.150 . 84 90 10 ASP CA C 58.398 0.150 . 85 90 10 ASP CB C 40.118 0.150 . 86 90 10 ASP N N 123.36 0.150 . 87 91 11 GLU H H 8.966 0.015 . 88 91 11 GLU HA H 3.988 0.015 . 89 91 11 GLU HB2 H 2.149 0.015 . 90 91 11 GLU HB3 H 2.014 0.015 . 91 91 11 GLU HG2 H 2.373 0.015 . 92 91 11 GLU HG3 H 2.373 0.015 . 93 91 11 GLU C C 179.466 0.150 . 94 91 11 GLU CA C 60.78 0.150 . 95 91 11 GLU CB C 29.201 0.150 . 96 91 11 GLU CG C 36.992 0.150 . 97 91 11 GLU N N 118.071 0.150 . 98 92 12 ALA H H 8.148 0.015 . 99 92 12 ALA HA H 4.306 0.015 . 100 92 12 ALA HB H 1.619 0.015 . 101 92 12 ALA C C 180.21 0.150 . 102 92 12 ALA CA C 54.936 0.150 . 103 92 12 ALA CB C 18.916 0.150 . 104 92 12 ALA N N 123.773 0.150 . 105 93 13 PHE H H 9.049 0.015 . 106 93 13 PHE HA H 4.084 0.015 . 107 93 13 PHE HB2 H 3.399 0.015 . 108 93 13 PHE HB3 H 3.134 0.015 . 109 93 13 PHE HD1 H 7.084 0.015 . 110 93 13 PHE HD2 H 7.084 0.015 . 111 93 13 PHE HE1 H 7.143 0.015 . 112 93 13 PHE HE2 H 7.143 0.015 . 113 93 13 PHE HZ H 7.259 0.015 . 114 93 13 PHE C C 177.798 0.150 . 115 93 13 PHE CA C 62.144 0.150 . 116 93 13 PHE CB C 39.985 0.150 . 117 93 13 PHE CD1 C 131.804 0.150 . 118 93 13 PHE CE1 C 130.642 0.150 . 119 93 13 PHE N N 122.582 0.150 . 120 94 14 ILE H H 8.47 0.015 . 121 94 14 ILE HA H 3.75 0.015 . 122 94 14 ILE HB H 2.177 0.015 . 123 94 14 ILE HG12 H 2.229 0.015 . 124 94 14 ILE HG13 H 1.047 0.015 . 125 94 14 ILE HG2 H 1.275 0.015 . 126 94 14 ILE HD1 H 1.038 0.015 . 127 94 14 ILE C C 177.454 0.150 . 128 94 14 ILE CA C 66.227 0.150 . 129 94 14 ILE CB C 38.846 0.150 . 130 94 14 ILE CG1 C 30.418 0.150 . 131 94 14 ILE CG2 C 18.106 0.150 . 132 94 14 ILE CD1 C 15.038 0.150 . 133 94 14 ILE N N 119.954 0.150 . 134 95 15 GLU H H 7.892 0.015 . 135 95 15 GLU HA H 4.3 0.015 . 136 95 15 GLU HB2 H 2.2 0.015 . 137 95 15 GLU HB3 H 1.961 0.015 . 138 95 15 GLU HG2 H 2.516 0.015 . 139 95 15 GLU HG3 H 2.292 0.015 . 140 95 15 GLU C C 178.032 0.150 . 141 95 15 GLU CA C 57.47 0.150 . 142 95 15 GLU CB C 28.668 0.150 . 143 95 15 GLU CG C 34.239 0.150 . 144 95 15 GLU N N 119.753 0.150 . 145 96 16 GLN H H 8.398 0.015 . 146 96 16 GLN HA H 3.999 0.015 . 147 96 16 GLN HB2 H 2.111 0.015 . 148 96 16 GLN HB3 H 2.111 0.015 . 149 96 16 GLN HG2 H 2.433 0.015 . 150 96 16 GLN HG3 H 2.322 0.015 . 151 96 16 GLN HE21 H 7.452 0.015 . 152 96 16 GLN HE22 H 6.748 0.015 . 153 96 16 GLN C C 178.758 0.150 . 154 96 16 GLN CA C 58.983 0.150 . 155 96 16 GLN CB C 28.099 0.150 . 156 96 16 GLN CG C 34.281 0.150 . 157 96 16 GLN N N 120.031 0.150 . 158 96 16 GLN NE2 N 111.273 0.150 . 159 97 17 PHE H H 7.881 0.015 . 160 97 17 PHE HA H 4.257 0.015 . 161 97 17 PHE HB2 H 3.255 0.015 . 162 97 17 PHE HB3 H 3.01 0.015 . 163 97 17 PHE HD1 H 7.264 0.015 . 164 97 17 PHE HD2 H 7.264 0.015 . 165 97 17 PHE HE1 H 7.059 0.015 . 166 97 17 PHE HE2 H 7.059 0.015 . 167 97 17 PHE HZ H 7.107 0.015 . 168 97 17 PHE C C 176.922 0.150 . 169 97 17 PHE CA C 60.863 0.150 . 170 97 17 PHE CB C 38.957 0.150 . 171 97 17 PHE CD1 C 131.847 0.150 . 172 97 17 PHE CE1 C 128.552 0.150 . 173 97 17 PHE CZ C 129.031 0.150 . 174 97 17 PHE N N 121.366 0.150 . 175 98 18 ARG H H 8.166 0.015 . 176 98 18 ARG HA H 2.988 0.015 . 177 98 18 ARG HB2 H 1.949 0.015 . 178 98 18 ARG HB3 H 1.007 0.015 . 179 98 18 ARG HG2 H 1.006 0.015 . 180 98 18 ARG HG3 H -0.123 0.015 . 181 98 18 ARG HD2 H 3.009 0.015 . 182 98 18 ARG HD3 H 2.412 0.015 . 183 98 18 ARG HE H 9.704 0.015 . 184 98 18 ARG C C 178.181 0.150 . 185 98 18 ARG CA C 60.645 0.150 . 186 98 18 ARG CB C 30.993 0.150 . 187 98 18 ARG CG C 29.917 0.150 . 188 98 18 ARG CD C 42.906 0.150 . 189 98 18 ARG N N 121.095 0.150 . 190 98 18 ARG NE N 84.323 0.150 . 191 99 19 GLN H H 8.143 0.015 . 192 99 19 GLN HA H 3.675 0.015 . 193 99 19 GLN HB2 H 2.067 0.015 . 194 99 19 GLN HB3 H 2.12 0.015 . 195 99 19 GLN HG2 H 2.486 0.015 . 196 99 19 GLN HG3 H 2.408 0.015 . 197 99 19 GLN HE21 H 7.492 0.015 . 198 99 19 GLN HE22 H 6.738 0.015 . 199 99 19 GLN C C 178.672 0.150 . 200 99 19 GLN CA C 58.578 0.150 . 201 99 19 GLN CB C 27.743 0.150 . 202 99 19 GLN CG C 33.633 0.150 . 203 99 19 GLN N N 114.431 0.150 . 204 99 19 GLN NE2 N 113.251 0.150 . 205 100 20 GLU H H 7.892 0.015 . 206 100 20 GLU HA H 4.088 0.015 . 207 100 20 GLU HB2 H 2.077 0.015 . 208 100 20 GLU HB3 H 1.946 0.015 . 209 100 20 GLU HG2 H 2.266 0.015 . 210 100 20 GLU HG3 H 2.181 0.015 . 211 100 20 GLU C C 178.96 0.150 . 212 100 20 GLU CA C 59.216 0.150 . 213 100 20 GLU CB C 28.547 0.150 . 214 100 20 GLU CG C 35.635 0.150 . 215 100 20 GLU N N 121.082 0.150 . 216 101 21 LEU H H 7.843 0.015 . 217 101 21 LEU HA H 3.862 0.015 . 218 101 21 LEU HB2 H 1.862 0.015 . 219 101 21 LEU HB3 H 1.054 0.015 . 220 101 21 LEU HG H 1.428 0.015 . 221 101 21 LEU HD1 H 0.815 0.015 . 222 101 21 LEU HD2 H 0.699 0.015 . 223 101 21 LEU C C 178.911 0.150 . 224 101 21 LEU CA C 57.453 0.150 . 225 101 21 LEU CB C 42.292 0.150 . 226 101 21 LEU CG C 26.563 0.150 . 227 101 21 LEU CD1 C 26.54 0.150 . 228 101 21 LEU CD2 C 23.961 0.150 . 229 101 21 LEU N N 118.156 0.150 . 230 102 22 LEU H H 7.919 0.015 . 231 102 22 LEU HA H 3.838 0.015 . 232 102 22 LEU HB2 H 1.794 0.015 . 233 102 22 LEU HB3 H 1.364 0.015 . 234 102 22 LEU HG H 1.571 0.015 . 235 102 22 LEU HD1 H 0.732 0.015 . 236 102 22 LEU HD2 H 0.715 0.015 . 237 102 22 LEU C C 178.574 0.150 . 238 102 22 LEU CA C 57.431 0.150 . 239 102 22 LEU CB C 42.232 0.150 . 240 102 22 LEU CG C 26.398 0.150 . 241 102 22 LEU CD1 C 24.941 0.150 . 242 102 22 LEU CD2 C 23.462 0.150 . 243 102 22 LEU N N 117.933 0.150 . 244 103 23 ASN H H 7.559 0.015 . 245 103 23 ASN HA H 4.781 0.015 . 246 103 23 ASN HB2 H 2.877 0.015 . 247 103 23 ASN HB3 H 2.709 0.015 . 248 103 23 ASN HD21 H 7.633 0.015 . 249 103 23 ASN HD22 H 6.935 0.015 . 250 103 23 ASN C C 174.776 0.150 . 251 103 23 ASN CA C 53.989 0.150 . 252 103 23 ASN CB C 40.445 0.150 . 253 103 23 ASN N N 114.633 0.150 . 254 103 23 ASN ND2 N 114.078 0.150 . 255 104 24 ASN H H 7.941 0.015 . 256 104 24 ASN HA H 4.887 0.015 . 257 104 24 ASN HB2 H 3.2 0.015 . 258 104 24 ASN HB3 H 2.734 0.015 . 259 104 24 ASN HD21 H 8.189 0.015 . 260 104 24 ASN HD22 H 6.921 0.015 . 261 104 24 ASN C C 174.1 0.150 . 262 104 24 ASN CA C 52.037 0.150 . 263 104 24 ASN CB C 38.443 0.150 . 264 104 24 ASN N N 119.951 0.150 . 265 104 24 ASN ND2 N 113.362 0.150 . 266 105 25 GLN H H 8.659 0.015 . 267 105 25 GLN HA H 3.961 0.015 . 268 105 25 GLN HB2 H 2.159 0.015 . 269 105 25 GLN HB3 H 2.159 0.015 . 270 105 25 GLN HG2 H 2.465 0.015 . 271 105 25 GLN HG3 H 2.465 0.015 . 272 105 25 GLN C C 178.303 0.150 . 273 105 25 GLN CA C 59.161 0.150 . 274 105 25 GLN CB C 28.362 0.150 . 275 105 25 GLN CG C 33.667 0.150 . 276 105 25 GLN N N 123.761 0.150 . 277 106 26 MET H H 8.457 0.015 . 278 106 26 MET HA H 4.266 0.015 . 279 106 26 MET HB2 H 2.249 0.015 . 280 106 26 MET HB3 H 2.164 0.015 . 281 106 26 MET HG2 H 2.602 0.015 . 282 106 26 MET HG3 H 2.68 0.015 . 283 106 26 MET HE H 2.135 0.015 . 284 106 26 MET C C 178.642 0.150 . 285 106 26 MET CA C 58.717 0.150 . 286 106 26 MET CB C 31.773 0.150 . 287 106 26 MET CG C 32.288 0.150 . 288 106 26 MET CE C 17.132 0.150 . 289 106 26 MET N N 120.052 0.150 . 290 107 27 LEU H H 7.55 0.015 . 291 107 27 LEU HA H 4.167 0.015 . 292 107 27 LEU HB2 H 1.621 0.015 . 293 107 27 LEU HB3 H 1.512 0.015 . 294 107 27 LEU HG H 1.497 0.015 . 295 107 27 LEU HD1 H 0.983 0.015 . 296 107 27 LEU HD2 H 0.849 0.015 . 297 107 27 LEU C C 178.834 0.150 . 298 107 27 LEU CA C 57.312 0.150 . 299 107 27 LEU CB C 42.413 0.150 . 300 107 27 LEU CG C 27.092 0.150 . 301 107 27 LEU CD1 C 23.431 0.150 . 302 107 27 LEU CD2 C 25.77 0.150 . 303 107 27 LEU N N 121.463 0.150 . 304 108 28 ARG H H 8.25 0.015 . 305 108 28 ARG HA H 3.771 0.015 . 306 108 28 ARG HB2 H 2.227 0.015 . 307 108 28 ARG HB3 H 1.951 0.015 . 308 108 28 ARG HG2 H 1.608 0.015 . 309 108 28 ARG HG3 H 1.608 0.015 . 310 108 28 ARG HD2 H 3.303 0.015 . 311 108 28 ARG HD3 H 3.17 0.015 . 312 108 28 ARG C C 177.857 0.150 . 313 108 28 ARG CA C 60.747 0.150 . 314 108 28 ARG CB C 30.197 0.150 . 315 108 28 ARG CG C 28.395 0.150 . 316 108 28 ARG CD C 43.726 0.150 . 317 108 28 ARG N N 118.241 0.150 . 318 109 29 SER H H 8.329 0.015 . 319 109 29 SER HA H 4.202 0.015 . 320 109 29 SER HB2 H 4.083 0.015 . 321 109 29 SER HB3 H 4.059 0.015 . 322 109 29 SER C C 175.949 0.150 . 323 109 29 SER CA C 62.012 0.150 . 324 109 29 SER CB C 63.098 0.150 . 325 109 29 SER N N 112.518 0.150 . 326 110 30 GLN H H 7.641 0.015 . 327 110 30 GLN HA H 4.263 0.015 . 328 110 30 GLN HB2 H 2.294 0.015 . 329 110 30 GLN HB3 H 2.182 0.015 . 330 110 30 GLN HG2 H 2.567 0.015 . 331 110 30 GLN HG3 H 2.432 0.015 . 332 110 30 GLN HE21 H 7.38 0.015 . 333 110 30 GLN HE22 H 6.785 0.015 . 334 110 30 GLN C C 178.545 0.150 . 335 110 30 GLN CA C 58.147 0.150 . 336 110 30 GLN CB C 28.978 0.150 . 337 110 30 GLN CG C 34.023 0.150 . 338 110 30 GLN N N 119.713 0.150 . 339 110 30 GLN NE2 N 110.814 0.150 . 340 111 31 LEU H H 8.162 0.015 . 341 111 31 LEU HA H 4.296 0.015 . 342 111 31 LEU HB2 H 1.761 0.015 . 343 111 31 LEU HB3 H 1.573 0.015 . 344 111 31 LEU HG H 1.864 0.015 . 345 111 31 LEU HD1 H 0.973 0.015 . 346 111 31 LEU HD2 H 0.935 0.015 . 347 111 31 LEU C C 179.321 0.150 . 348 111 31 LEU CA C 57.3 0.150 . 349 111 31 LEU CB C 42.418 0.150 . 350 111 31 LEU CG C 27.672 0.150 . 351 111 31 LEU CD1 C 25.452 0.150 . 352 111 31 LEU CD2 C 23.798 0.150 . 353 111 31 LEU N N 119.513 0.150 . 354 112 32 ILE H H 8.268 0.015 . 355 112 32 ILE HA H 4.061 0.015 . 356 112 32 ILE HB H 2.005 0.015 . 357 112 32 ILE HG12 H 1.751 0.015 . 358 112 32 ILE HG13 H 1.345 0.015 . 359 112 32 ILE HG2 H 1.03 0.015 . 360 112 32 ILE HD1 H 0.955 0.015 . 361 112 32 ILE C C 176.72 0.150 . 362 112 32 ILE CA C 63.935 0.150 . 363 112 32 ILE CB C 38.295 0.150 . 364 112 32 ILE CG1 C 29.706 0.150 . 365 112 32 ILE CG2 C 17.572 0.150 . 366 112 32 ILE CD1 C 14.418 0.150 . 367 112 32 ILE N N 119.797 0.150 . 368 113 33 LEU H H 7.177 0.015 . 369 113 33 LEU HA H 4.202 0.015 . 370 113 33 LEU HB2 H 1.917 0.015 . 371 113 33 LEU HB3 H 1.635 0.015 . 372 113 33 LEU HG H 1.852 0.015 . 373 113 33 LEU HD1 H 1.021 0.015 . 374 113 33 LEU HD2 H 0.935 0.015 . 375 113 33 LEU C C 178.197 0.150 . 376 113 33 LEU CA C 56.766 0.150 . 377 113 33 LEU CB C 41.748 0.150 . 378 113 33 LEU CG C 27.031 0.150 . 379 113 33 LEU CD1 C 25.201 0.150 . 380 113 33 LEU CD2 C 22.834 0.150 . 381 113 33 LEU N N 117.665 0.150 . 382 114 34 GLN H H 7.394 0.015 . 383 114 34 GLN HA H 4.456 0.015 . 384 114 34 GLN HB2 H 2.276 0.015 . 385 114 34 GLN HB3 H 2.082 0.015 . 386 114 34 GLN HG2 H 2.427 0.015 . 387 114 34 GLN HG3 H 2.427 0.015 . 388 114 34 GLN HE21 H 7.498 0.015 . 389 114 34 GLN HE22 H 6.785 0.015 . 390 114 34 GLN C C 175.79 0.150 . 391 114 34 GLN CA C 56.611 0.150 . 392 114 34 GLN CB C 30.93 0.150 . 393 114 34 GLN CG C 34.08 0.150 . 394 114 34 GLN N N 114.895 0.150 . 395 114 34 GLN NE2 N 110.766 0.150 . 396 115 35 ILE H H 7.988 0.015 . 397 115 35 ILE HA H 4.526 0.015 . 398 115 35 ILE HB H 1.971 0.015 . 399 115 35 ILE HG12 H 1.558 0.015 . 400 115 35 ILE HG13 H 1.129 0.015 . 401 115 35 ILE HG2 H 0.824 0.015 . 402 115 35 ILE HD1 H 0.864 0.015 . 403 115 35 ILE C C 180.477 0.150 . 404 115 35 ILE CA C 58.145 0.150 . 405 115 35 ILE CB C 38.549 0.150 . 406 115 35 ILE CG1 C 26.466 0.150 . 407 115 35 ILE CG2 C 17.971 0.150 . 408 115 35 ILE CD1 C 13.676 0.150 . 409 115 35 ILE N N 119.638 0.150 . 410 116 36 PRO HA H 4.548 0.015 . 411 116 36 PRO HB2 H 2.401 0.015 . 412 116 36 PRO HB3 H 1.952 0.015 . 413 116 36 PRO HG2 H 2.13 0.015 . 414 116 36 PRO HG3 H 2.009 0.015 . 415 116 36 PRO HD2 H 3.72 0.015 . 416 116 36 PRO HD3 H 3.72 0.015 . 417 116 36 PRO C C 178.452 0.150 . 418 116 36 PRO CA C 64.285 0.150 . 419 116 36 PRO CB C 31.784 0.150 . 420 116 36 PRO CG C 27.588 0.150 . 421 116 36 PRO CD C 50.782 0.150 . 422 117 37 GLY H H 8.807 0.015 . 423 117 37 GLY HA2 H 4.185 0.015 . 424 117 37 GLY HA3 H 4.029 0.015 . 425 117 37 GLY C C 176.36 0.150 . 426 117 37 GLY CA C 45.761 0.150 . 427 117 37 GLY N N 108.868 0.150 . 428 118 38 LEU H H 7.873 0.015 . 429 118 38 LEU HA H 3.954 0.015 . 430 118 38 LEU HB2 H 1.966 0.015 . 431 118 38 LEU HB3 H 1.816 0.015 . 432 118 38 LEU HG H 1.701 0.015 . 433 118 38 LEU HD1 H 1.031 0.015 . 434 118 38 LEU HD2 H 0.979 0.015 . 435 118 38 LEU C C 177.658 0.150 . 436 118 38 LEU CA C 58.525 0.150 . 437 118 38 LEU CB C 42.398 0.150 . 438 118 38 LEU CG C 26.923 0.150 . 439 118 38 LEU CD1 C 24.197 0.150 . 440 118 38 LEU CD2 C 26.985 0.150 . 441 118 38 LEU N N 120.751 0.150 . 442 119 39 ASN H H 8.785 0.015 . 443 119 39 ASN HA H 4.384 0.015 . 444 119 39 ASN HB2 H 2.776 0.015 . 445 119 39 ASN HB3 H 2.776 0.015 . 446 119 39 ASN HD21 H 7.63 0.015 . 447 119 39 ASN HD22 H 6.852 0.015 . 448 119 39 ASN C C 176.575 0.150 . 449 119 39 ASN CA C 56.441 0.150 . 450 119 39 ASN CB C 38.085 0.150 . 451 119 39 ASN N N 114.655 0.150 . 452 119 39 ASN ND2 N 112.868 0.150 . 453 120 40 ASP H H 7.64 0.015 . 454 120 40 ASP HA H 4.676 0.015 . 455 120 40 ASP HB2 H 2.776 0.015 . 456 120 40 ASP HB3 H 2.688 0.015 . 457 120 40 ASP C C 177.921 0.150 . 458 120 40 ASP CA C 56.184 0.150 . 459 120 40 ASP CB C 41.167 0.150 . 460 120 40 ASP N N 116.327 0.150 . 461 121 41 LEU H H 7.756 0.015 . 462 121 41 LEU HA H 4.351 0.015 . 463 121 41 LEU HB2 H 1.959 0.015 . 464 121 41 LEU HB3 H 1.554 0.015 . 465 121 41 LEU HG H 1.86 0.015 . 466 121 41 LEU HD1 H 0.864 0.015 . 467 121 41 LEU HD2 H 0.864 0.015 . 468 121 41 LEU C C 178.13 0.150 . 469 121 41 LEU CA C 57.14 0.150 . 470 121 41 LEU CB C 44.055 0.150 . 471 121 41 LEU CG C 26.724 0.150 . 472 121 41 LEU CD1 C 25.433 0.150 . 473 121 41 LEU CD2 C 24.145 0.150 . 474 121 41 LEU N N 118.994 0.150 . 475 122 42 VAL H H 7.872 0.015 . 476 122 42 VAL HA H 3.697 0.015 . 477 122 42 VAL HB H 2.104 0.015 . 478 122 42 VAL HG1 H 0.879 0.015 . 479 122 42 VAL HG2 H 0.893 0.015 . 480 122 42 VAL C C 174.7 0.150 . 481 122 42 VAL CA C 64.361 0.150 . 482 122 42 VAL CB C 31.899 0.150 . 483 122 42 VAL CG1 C 21.809 0.150 . 484 122 42 VAL CG2 C 21.245 0.150 . 485 122 42 VAL N N 111.503 0.150 . 486 123 43 ASN H H 7.441 0.015 . 487 123 43 ASN HA H 4.597 0.015 . 488 123 43 ASN HB2 H 2.98 0.015 . 489 123 43 ASN HB3 H 2.719 0.015 . 490 123 43 ASN HD21 H 7.653 0.015 . 491 123 43 ASN HD22 H 6.759 0.015 . 492 123 43 ASN C C 173.928 0.150 . 493 123 43 ASN CA C 53.944 0.150 . 494 123 43 ASN CB C 39.452 0.150 . 495 123 43 ASN N N 114.526 0.150 . 496 123 43 ASN ND2 N 113.812 0.150 . 497 124 44 ASP H H 7.591 0.015 . 498 124 44 ASP HA H 5.306 0.015 . 499 124 44 ASP HB2 H 3.113 0.015 . 500 124 44 ASP HB3 H 2.506 0.015 . 501 124 44 ASP C C 173.19 0.150 . 502 124 44 ASP CA C 50.54 0.150 . 503 124 44 ASP CB C 43.803 0.150 . 504 124 44 ASP N N 120.764 0.150 . 505 125 45 PRO HA H 4.014 0.015 . 506 125 45 PRO HB2 H 2.519 0.015 . 507 125 45 PRO HB3 H 2.017 0.015 . 508 125 45 PRO HG2 H 2.076 0.015 . 509 125 45 PRO HG3 H 2.167 0.015 . 510 125 45 PRO HD2 H 4.088 0.015 . 511 125 45 PRO HD3 H 3.649 0.015 . 512 125 45 PRO C C 179.291 0.150 . 513 125 45 PRO CA C 65.414 0.150 . 514 125 45 PRO CB C 32.257 0.150 . 515 125 45 PRO CG C 27.12 0.150 . 516 125 45 PRO CD C 50.745 0.150 . 517 126 46 LEU H H 7.807 0.015 . 518 126 46 LEU HA H 4.297 0.015 . 519 126 46 LEU HB2 H 1.859 0.015 . 520 126 46 LEU HB3 H 1.753 0.015 . 521 126 46 LEU HG H 1.701 0.015 . 522 126 46 LEU HD1 H 1.017 0.015 . 523 126 46 LEU HD2 H 0.931 0.015 . 524 126 46 LEU C C 179.116 0.150 . 525 126 46 LEU CA C 57.733 0.150 . 526 126 46 LEU CB C 41.48 0.150 . 527 126 46 LEU CG C 27.55 0.150 . 528 126 46 LEU CD1 C 24.544 0.150 . 529 126 46 LEU CD2 C 23.738 0.150 . 530 126 46 LEU N N 118.02 0.150 . 531 127 47 LEU H H 8.003 0.015 . 532 127 47 LEU HA H 4.194 0.015 . 533 127 47 LEU HB2 H 1.731 0.015 . 534 127 47 LEU HB3 H 1.655 0.015 . 535 127 47 LEU HG H 1.691 0.015 . 536 127 47 LEU HD1 H 0.97 0.015 . 537 127 47 LEU HD2 H 0.934 0.015 . 538 127 47 LEU C C 179.349 0.150 . 539 127 47 LEU CA C 57.467 0.150 . 540 127 47 LEU CB C 42.283 0.150 . 541 127 47 LEU CG C 27.016 0.150 . 542 127 47 LEU CD1 C 24.252 0.150 . 543 127 47 LEU CD2 C 24.005 0.150 . 544 127 47 LEU N N 122.602 0.150 . 545 128 48 PHE H H 8.858 0.015 . 546 128 48 PHE HA H 3.796 0.015 . 547 128 48 PHE HB2 H 3.752 0.015 . 548 128 48 PHE HB3 H 2.955 0.015 . 549 128 48 PHE HD1 H 7.012 0.015 . 550 128 48 PHE HD2 H 7.012 0.015 . 551 128 48 PHE HE1 H 7.264 0.015 . 552 128 48 PHE HE2 H 7.264 0.015 . 553 128 48 PHE HZ H 7.147 0.015 . 554 128 48 PHE C C 177.21 0.150 . 555 128 48 PHE CA C 63.478 0.150 . 556 128 48 PHE CB C 39.566 0.150 . 557 128 48 PHE CD1 C 131.898 0.150 . 558 128 48 PHE CE1 C 131.867 0.150 . 559 128 48 PHE CZ C 130.627 0.150 . 560 128 48 PHE N N 118.923 0.150 . 561 129 49 ARG H H 7.615 0.015 . 562 129 49 ARG HA H 3.899 0.015 . 563 129 49 ARG HB2 H 2.291 0.015 . 564 129 49 ARG HB3 H 2.226 0.015 . 565 129 49 ARG HG2 H 1.836 0.015 . 566 129 49 ARG HG3 H 1.836 0.015 . 567 129 49 ARG HD2 H 3.487 0.015 . 568 129 49 ARG HD3 H 3.407 0.015 . 569 129 49 ARG HE H 7.879 0.015 . 570 129 49 ARG C C 178.799 0.150 . 571 129 49 ARG CA C 60.185 0.150 . 572 129 49 ARG CB C 30.477 0.150 . 573 129 49 ARG CG C 26.774 0.150 . 574 129 49 ARG CD C 44.188 0.150 . 575 129 49 ARG N N 117.821 0.150 . 576 129 49 ARG NE N 83.576 0.150 . 577 130 50 GLU H H 8.474 0.015 . 578 130 50 GLU HA H 4.064 0.015 . 579 130 50 GLU HB2 H 2.232 0.015 . 580 130 50 GLU HB3 H 2.126 0.015 . 581 130 50 GLU HG2 H 2.459 0.015 . 582 130 50 GLU HG3 H 2.233 0.015 . 583 130 50 GLU C C 178.138 0.150 . 584 130 50 GLU CA C 59.594 0.150 . 585 130 50 GLU CB C 30.496 0.150 . 586 130 50 GLU CG C 36.485 0.150 . 587 130 50 GLU N N 119.207 0.150 . 588 131 51 ARG H H 8.408 0.015 . 589 131 51 ARG HA H 4.356 0.015 . 590 131 51 ARG HB2 H 1.901 0.015 . 591 131 51 ARG HB3 H 1.762 0.015 . 592 131 51 ARG HG2 H 1.744 0.015 . 593 131 51 ARG HG3 H 1.744 0.015 . 594 131 51 ARG HD2 H 3.238 0.015 . 595 131 51 ARG HD3 H 3.238 0.015 . 596 131 51 ARG C C 177.748 0.150 . 597 131 51 ARG CA C 57.104 0.150 . 598 131 51 ARG CB C 30.605 0.150 . 599 131 51 ARG CG C 27.132 0.150 . 600 131 51 ARG CD C 42.251 0.150 . 601 131 51 ARG N N 113.725 0.150 . 602 132 52 LEU H H 8.055 0.015 . 603 132 52 LEU HA H 4.596 0.015 . 604 132 52 LEU HB2 H 1.089 0.015 . 605 132 52 LEU HB3 H 0.952 0.015 . 606 132 52 LEU HG H 1.359 0.015 . 607 132 52 LEU HD1 H 0.615 0.015 . 608 132 52 LEU HD2 H 0.74 0.015 . 609 132 52 LEU C C 177.115 0.150 . 610 132 52 LEU CA C 54.049 0.150 . 611 132 52 LEU CB C 42.687 0.150 . 612 132 52 LEU CG C 27.7 0.150 . 613 132 52 LEU CD1 C 25.964 0.150 . 614 132 52 LEU CD2 C 23.593 0.150 . 615 132 52 LEU N N 116.244 0.150 . 616 133 53 GLY H H 7.696 0.015 . 617 133 53 GLY HA2 H 4.603 0.015 . 618 133 53 GLY HA3 H 3.666 0.015 . 619 133 53 GLY C C 180.378 0.150 . 620 133 53 GLY CA C 49.246 0.150 . 621 133 53 GLY N N 108.261 0.150 . 622 134 54 PRO HA H 4.217 0.015 . 623 134 54 PRO HB2 H 2.41 0.015 . 624 134 54 PRO HB3 H 1.859 0.015 . 625 134 54 PRO HG2 H 2.147 0.015 . 626 134 54 PRO HG3 H 1.954 0.015 . 627 134 54 PRO HD2 H 3.699 0.015 . 628 134 54 PRO HD3 H 3.344 0.015 . 629 134 54 PRO C C 179.27 0.150 . 630 134 54 PRO CA C 65.997 0.150 . 631 134 54 PRO CB C 31.894 0.150 . 632 134 54 PRO CG C 28.433 0.150 . 633 134 54 PRO CD C 50.933 0.150 . 634 135 55 LEU H H 7.192 0.015 . 635 135 55 LEU HA H 4.123 0.015 . 636 135 55 LEU HB2 H 1.795 0.015 . 637 135 55 LEU HB3 H 1.671 0.015 . 638 135 55 LEU HG H 1.654 0.015 . 639 135 55 LEU HD1 H 0.955 0.015 . 640 135 55 LEU HD2 H 0.88 0.015 . 641 135 55 LEU C C 179.35 0.150 . 642 135 55 LEU CA C 57.783 0.150 . 643 135 55 LEU CB C 42.011 0.150 . 644 135 55 LEU CG C 27.468 0.150 . 645 135 55 LEU CD1 C 25.166 0.150 . 646 135 55 LEU CD2 C 24.715 0.150 . 647 135 55 LEU N N 117.475 0.150 . 648 136 56 ILE H H 8.076 0.015 . 649 136 56 ILE HA H 3.441 0.015 . 650 136 56 ILE HB H 1.965 0.015 . 651 136 56 ILE HG12 H 1.493 0.015 . 652 136 56 ILE HG13 H 0.77 0.015 . 653 136 56 ILE HG2 H 0.833 0.015 . 654 136 56 ILE HD1 H 0.709 0.015 . 655 136 56 ILE C C 178.756 0.150 . 656 136 56 ILE CA C 64.512 0.150 . 657 136 56 ILE CB C 37.745 0.150 . 658 136 56 ILE CG1 C 28.752 0.150 . 659 136 56 ILE CG2 C 18.359 0.150 . 660 136 56 ILE CD1 C 15.449 0.150 . 661 136 56 ILE N N 120.416 0.150 . 662 137 57 LEU H H 8.679 0.015 . 663 137 57 LEU HA H 4 0.015 . 664 137 57 LEU HB2 H 1.904 0.015 . 665 137 57 LEU HB3 H 1.522 0.015 . 666 137 57 LEU HG H 1.948 0.015 . 667 137 57 LEU HD1 H 0.941 0.015 . 668 137 57 LEU HD2 H 0.875 0.015 . 669 137 57 LEU C C 179.091 0.150 . 670 137 57 LEU CA C 57.26 0.150 . 671 137 57 LEU CB C 40.671 0.150 . 672 137 57 LEU CG C 26.372 0.150 . 673 137 57 LEU CD1 C 25.319 0.150 . 674 137 57 LEU CD2 C 21.662 0.150 . 675 137 57 LEU N N 118.258 0.150 . 676 138 58 GLN H H 7.79 0.015 . 677 138 58 GLN HA H 4.131 0.015 . 678 138 58 GLN HB2 H 2.251 0.015 . 679 138 58 GLN HB3 H 2.172 0.015 . 680 138 58 GLN HG2 H 2.544 0.015 . 681 138 58 GLN HG3 H 2.383 0.015 . 682 138 58 GLN HE21 H 7.361 0.015 . 683 138 58 GLN HE22 H 6.807 0.015 . 684 138 58 GLN C C 178.726 0.150 . 685 138 58 GLN CA C 58.819 0.150 . 686 138 58 GLN CB C 28.296 0.150 . 687 138 58 GLN CG C 34.091 0.150 . 688 138 58 GLN N N 119.199 0.150 . 689 138 58 GLN NE2 N 110.941 0.150 . 690 139 59 ARG H H 7.638 0.015 . 691 139 59 ARG HA H 4.165 0.015 . 692 139 59 ARG HB2 H 1.991 0.015 . 693 139 59 ARG HB3 H 1.932 0.015 . 694 139 59 ARG HG2 H 1.702 0.015 . 695 139 59 ARG HG3 H 1.702 0.015 . 696 139 59 ARG HD2 H 3.113 0.015 . 697 139 59 ARG HD3 H 3.113 0.015 . 698 139 59 ARG C C 177.718 0.150 . 699 139 59 ARG CA C 57.556 0.150 . 700 139 59 ARG CB C 29.6 0.150 . 701 139 59 ARG CG C 27.414 0.150 . 702 139 59 ARG CD C 43.136 0.150 . 703 139 59 ARG N N 116.993 0.150 . 704 140 60 ARG H H 7.769 0.015 . 705 140 60 ARG HA H 3.816 0.015 . 706 140 60 ARG HB2 H 1.324 0.015 . 707 140 60 ARG HB3 H 1.191 0.015 . 708 140 60 ARG HG2 H 0.744 0.015 . 709 140 60 ARG HG3 H 0.602 0.015 . 710 140 60 ARG HD2 H 2.308 0.015 . 711 140 60 ARG HD3 H 1.646 0.015 . 712 140 60 ARG C C 177.084 0.150 . 713 140 60 ARG CA C 58.646 0.150 . 714 140 60 ARG CB C 30.443 0.150 . 715 140 60 ARG CG C 26.689 0.150 . 716 140 60 ARG CD C 43.17 0.150 . 717 140 60 ARG N N 119.819 0.150 . 718 141 61 TYR H H 7.773 0.015 . 719 141 61 TYR HA H 4.659 0.015 . 720 141 61 TYR HB2 H 3.28 0.015 . 721 141 61 TYR HB3 H 2.756 0.015 . 722 141 61 TYR HD1 H 7.184 0.015 . 723 141 61 TYR HD2 H 7.184 0.015 . 724 141 61 TYR HE1 H 6.797 0.015 . 725 141 61 TYR HE2 H 6.797 0.015 . 726 141 61 TYR C C 176.617 0.150 . 727 141 61 TYR CA C 58.191 0.150 . 728 141 61 TYR CB C 38.457 0.150 . 729 141 61 TYR CD1 C 133.221 0.150 . 730 141 61 TYR CE1 C 117.83 0.150 . 731 141 61 TYR N N 115.209 0.150 . 732 142 62 GLY H H 7.924 0.015 . 733 142 62 GLY HA2 H 4.021 0.015 . 734 142 62 GLY HA3 H 4.021 0.015 . 735 142 62 GLY C C 174.672 0.150 . 736 142 62 GLY CA C 45.883 0.150 . 737 142 62 GLY N N 108.832 0.150 . 738 143 63 GLY H H 8.2 0.015 . 739 143 63 GLY HA2 H 3.962 0.015 . 740 143 63 GLY HA3 H 3.895 0.015 . 741 143 63 GLY C C 174.005 0.150 . 742 143 63 GLY CA C 45.35 0.150 . 743 143 63 GLY N N 108.191 0.150 . 744 144 64 TYR H H 8.071 0.015 . 745 144 64 TYR HA H 4.559 0.015 . 746 144 64 TYR HB2 H 3.061 0.015 . 747 144 64 TYR HB3 H 2.943 0.015 . 748 144 64 TYR HD1 H 7.11 0.015 . 749 144 64 TYR HD2 H 7.11 0.015 . 750 144 64 TYR HE1 H 6.813 0.015 . 751 144 64 TYR HE2 H 6.813 0.015 . 752 144 64 TYR C C 175.667 0.150 . 753 144 64 TYR CA C 58.096 0.150 . 754 144 64 TYR CB C 38.739 0.150 . 755 144 64 TYR CD1 C 133.215 0.150 . 756 144 64 TYR CE1 C 118.172 0.150 . 757 144 64 TYR N N 119.696 0.150 . 758 145 65 ASN H H 8.402 0.015 . 759 145 65 ASN HA H 4.731 0.015 . 760 145 65 ASN HB2 H 2.883 0.015 . 761 145 65 ASN HB3 H 2.745 0.015 . 762 145 65 ASN HD21 H 7.568 0.015 . 763 145 65 ASN HD22 H 6.905 0.015 . 764 145 65 ASN C C 175.522 0.150 . 765 145 65 ASN CA C 53.423 0.150 . 766 145 65 ASN CB C 38.895 0.150 . 767 145 65 ASN N N 120.15 0.150 . 768 145 65 ASN ND2 N 112.376 0.150 . 769 146 66 THR H H 8.051 0.015 . 770 146 66 THR HA H 4.338 0.015 . 771 146 66 THR HB H 4.326 0.015 . 772 146 66 THR HG2 H 1.178 0.015 . 773 146 66 THR C C 174.392 0.150 . 774 146 66 THR CA C 61.95 0.150 . 775 146 66 THR CB C 69.475 0.150 . 776 146 66 THR CG2 C 21.671 0.150 . 777 146 66 THR N N 113.645 0.150 . 778 147 67 ALA H H 8.142 0.015 . 779 147 67 ALA HA H 4.311 0.015 . 780 147 67 ALA HB H 1.414 0.015 . 781 147 67 ALA C C 177.742 0.150 . 782 147 67 ALA CA C 52.899 0.150 . 783 147 67 ALA CB C 19.472 0.150 . 784 147 67 ALA N N 124.979 0.150 . 785 148 68 MET H H 8.231 0.015 . 786 148 68 MET HA H 4.453 0.015 . 787 148 68 MET HB2 H 2.091 0.015 . 788 148 68 MET HB3 H 1.933 0.015 . 789 148 68 MET HG2 H 2.591 0.015 . 790 148 68 MET HG3 H 2.49 0.015 . 791 148 68 MET HE H 2.073 0.015 . 792 148 68 MET C C 175.219 0.150 . 793 148 68 MET CA C 55.514 0.150 . 794 148 68 MET CB C 32.906 0.150 . 795 148 68 MET CG C 32.28 0.150 . 796 148 68 MET CE C 17.093 0.150 . 797 148 68 MET N N 117.93 0.150 . 798 149 69 ASN H H 7.832 0.015 . 799 149 69 ASN HA H 4.622 0.015 . 800 149 69 ASN HB2 H 2.307 0.015 . 801 149 69 ASN HB3 H 1.499 0.015 . 802 149 69 ASN HD21 H 7.606 0.015 . 803 149 69 ASN C C 173.78 0.150 . 804 149 69 ASN CA C 51.606 0.150 . 805 149 69 ASN CB C 38.52 0.150 . 806 149 69 ASN N N 115.791 0.150 . 807 149 69 ASN ND2 N 115.998 0.150 . 808 150 70 PRO HA H 4.275 0.015 . 809 150 70 PRO HB2 H 2.047 0.015 . 810 150 70 PRO HB3 H 1.353 0.015 . 811 150 70 PRO HG2 H 1.699 0.015 . 812 150 70 PRO HG3 H 1.3 0.015 . 813 150 70 PRO HD2 H 3.491 0.015 . 814 150 70 PRO HD3 H 3.132 0.015 . 815 150 70 PRO C C 176.24 0.150 . 816 150 70 PRO CA C 63.965 0.150 . 817 150 70 PRO CB C 31.98 0.150 . 818 150 70 PRO CG C 26.849 0.150 . 819 150 70 PRO CD C 50.536 0.150 . 820 151 71 PHE H H 7.751 0.015 . 821 151 71 PHE HA H 4.876 0.015 . 822 151 71 PHE HB2 H 3.509 0.015 . 823 151 71 PHE HB3 H 2.896 0.015 . 824 151 71 PHE HD1 H 7.174 0.015 . 825 151 71 PHE HD2 H 7.174 0.015 . 826 151 71 PHE HE1 H 7.276 0.015 . 827 151 71 PHE HE2 H 7.276 0.015 . 828 151 71 PHE HZ H 7.328 0.015 . 829 151 71 PHE C C 175.969 0.150 . 830 151 71 PHE CA C 56.174 0.150 . 831 151 71 PHE CB C 40.512 0.150 . 832 151 71 PHE CD1 C 130.906 0.150 . 833 151 71 PHE CE1 C 129.781 0.150 . 834 151 71 PHE CZ C 131.348 0.150 . 835 151 71 PHE N N 114.55 0.150 . 836 152 72 GLY H H 7.728 0.015 . 837 152 72 GLY HA2 H 3.99 0.015 . 838 152 72 GLY HA3 H 3.864 0.015 . 839 152 72 GLY C C 174.446 0.150 . 840 152 72 GLY CA C 46.452 0.150 . 841 152 72 GLY N N 108.048 0.150 . 842 153 73 ILE H H 7.346 0.015 . 843 153 73 ILE HA H 4.798 0.015 . 844 153 73 ILE HB H 2.229 0.015 . 845 153 73 ILE HG12 H 1.594 0.015 . 846 153 73 ILE HG13 H 1.229 0.015 . 847 153 73 ILE HG2 H 0.969 0.015 . 848 153 73 ILE HD1 H 0.908 0.015 . 849 153 73 ILE C C 173.725 0.150 . 850 153 73 ILE CA C 59.094 0.150 . 851 153 73 ILE CB C 37.501 0.150 . 852 153 73 ILE CG1 C 25.154 0.150 . 853 153 73 ILE CG2 C 17.985 0.150 . 854 153 73 ILE CD1 C 13.966 0.150 . 855 153 73 ILE N N 113.994 0.150 . 856 154 74 PRO HA H 4.445 0.015 . 857 154 74 PRO HB2 H 2.543 0.015 . 858 154 74 PRO HB3 H 2.543 0.015 . 859 154 74 PRO HG2 H 2.248 0.015 . 860 154 74 PRO HG3 H 2.037 0.015 . 861 154 74 PRO HD2 H 3.959 0.015 . 862 154 74 PRO HD3 H 3.784 0.015 . 863 154 74 PRO C C 177.862 0.150 . 864 154 74 PRO CA C 63.735 0.150 . 865 154 74 PRO CB C 32.521 0.150 . 866 154 74 PRO CG C 28.413 0.150 . 867 154 74 PRO CD C 51.049 0.150 . 868 155 75 GLN H H 8.907 0.015 . 869 155 75 GLN HA H 4.171 0.015 . 870 155 75 GLN HB2 H 2.25 0.015 . 871 155 75 GLN HB3 H 2.055 0.015 . 872 155 75 GLN HG2 H 2.548 0.015 . 873 155 75 GLN HG3 H 2.548 0.015 . 874 155 75 GLN HE21 H 7.449 0.015 . 875 155 75 GLN HE22 H 6.657 0.015 . 876 155 75 GLN C C 177.925 0.150 . 877 155 75 GLN CA C 58.791 0.150 . 878 155 75 GLN CB C 28.377 0.150 . 879 155 75 GLN CG C 32.444 0.150 . 880 155 75 GLN N N 124.975 0.150 . 881 155 75 GLN NE2 N 109.873 0.150 . 882 156 76 ASP H H 8.949 0.015 . 883 156 76 ASP HA H 4.431 0.015 . 884 156 76 ASP HB2 H 2.751 0.015 . 885 156 76 ASP HB3 H 2.675 0.015 . 886 156 76 ASP C C 178.304 0.150 . 887 156 76 ASP CA C 56.728 0.150 . 888 156 76 ASP CB C 39.733 0.150 . 889 156 76 ASP N N 117.545 0.150 . 890 157 77 GLU H H 7.417 0.015 . 891 157 77 GLU HA H 4.125 0.015 . 892 157 77 GLU HB2 H 2.138 0.015 . 893 157 77 GLU HB3 H 2.008 0.015 . 894 157 77 GLU HG2 H 2.314 0.015 . 895 157 77 GLU HG3 H 2.199 0.015 . 896 157 77 GLU C C 177.746 0.150 . 897 157 77 GLU CA C 58.788 0.150 . 898 157 77 GLU CB C 29.535 0.150 . 899 157 77 GLU CG C 36.008 0.150 . 900 157 77 GLU N N 121.345 0.150 . 901 158 78 TYR H H 8.191 0.015 . 902 158 78 TYR HA H 3.991 0.015 . 903 158 78 TYR HB2 H 3.107 0.015 . 904 158 78 TYR HB3 H 2.91 0.015 . 905 158 78 TYR HD1 H 6.986 0.015 . 906 158 78 TYR HD2 H 6.986 0.015 . 907 158 78 TYR HE1 H 6.732 0.015 . 908 158 78 TYR HE2 H 6.732 0.015 . 909 158 78 TYR C C 176.649 0.150 . 910 158 78 TYR CA C 62.763 0.150 . 911 158 78 TYR CB C 38.795 0.150 . 912 158 78 TYR CD1 C 132.91 0.150 . 913 158 78 TYR CE1 C 118.574 0.150 . 914 158 78 TYR N N 119.84 0.150 . 915 159 79 THR H H 8.673 0.015 . 916 159 79 THR HA H 3.726 0.015 . 917 159 79 THR HB H 4.262 0.015 . 918 159 79 THR HG2 H 1.331 0.015 . 919 159 79 THR C C 176.735 0.150 . 920 159 79 THR CA C 66.255 0.150 . 921 159 79 THR CB C 68.937 0.150 . 922 159 79 THR CG2 C 21.901 0.150 . 923 159 79 THR N N 112.902 0.150 . 924 160 80 ARG H H 7.449 0.015 . 925 160 80 ARG HA H 4.082 0.015 . 926 160 80 ARG HB2 H 1.971 0.015 . 927 160 80 ARG HB3 H 1.971 0.015 . 928 160 80 ARG HG2 H 1.792 0.015 . 929 160 80 ARG HG3 H 1.605 0.015 . 930 160 80 ARG HD2 H 3.278 0.015 . 931 160 80 ARG HD3 H 3.278 0.015 . 932 160 80 ARG C C 178.863 0.150 . 933 160 80 ARG CA C 59.627 0.150 . 934 160 80 ARG CB C 30.377 0.150 . 935 160 80 ARG CG C 27.771 0.150 . 936 160 80 ARG CD C 43.547 0.150 . 937 160 80 ARG N N 121.674 0.150 . 938 161 81 LEU H H 8.074 0.015 . 939 161 81 LEU HA H 3.888 0.015 . 940 161 81 LEU HB2 H 1.81 0.015 . 941 161 81 LEU HB3 H 1.238 0.015 . 942 161 81 LEU HG H 1.899 0.015 . 943 161 81 LEU HD1 H 0.818 0.015 . 944 161 81 LEU HD2 H 0.766 0.015 . 945 161 81 LEU C C 178.297 0.150 . 946 161 81 LEU CA C 57.758 0.150 . 947 161 81 LEU CB C 42.351 0.150 . 948 161 81 LEU CG C 26.081 0.150 . 949 161 81 LEU CD1 C 22.955 0.150 . 950 161 81 LEU CD2 C 25.973 0.150 . 951 161 81 LEU N N 119.592 0.150 . 952 162 82 MET H H 7.707 0.015 . 953 162 82 MET HA H 4.275 0.015 . 954 162 82 MET HB2 H 1.842 0.015 . 955 162 82 MET HB3 H 1.783 0.015 . 956 162 82 MET HG2 H 2.151 0.015 . 957 162 82 MET HG3 H 1.843 0.015 . 958 162 82 MET HE H 1.941 0.015 . 959 162 82 MET C C 178.097 0.150 . 960 162 82 MET CA C 55.029 0.150 . 961 162 82 MET CB C 31.808 0.150 . 962 162 82 MET CG C 32.336 0.150 . 963 162 82 MET CE C 17.857 0.150 . 964 162 82 MET N N 112.02 0.150 . 965 163 83 ALA H H 7.609 0.015 . 966 163 83 ALA HA H 4.249 0.015 . 967 163 83 ALA HB H 1.487 0.015 . 968 163 83 ALA C C 178.325 0.150 . 969 163 83 ALA CA C 53.562 0.150 . 970 163 83 ALA CB C 18.932 0.150 . 971 163 83 ALA N N 121.021 0.150 . 972 164 84 ASN H H 7.076 0.015 . 973 164 84 ASN HA H 5.177 0.015 . 974 164 84 ASN HB2 H 2.828 0.015 . 975 164 84 ASN HB3 H 2.647 0.015 . 976 164 84 ASN HD21 H 7.826 0.015 . 977 164 84 ASN HD22 H 7.003 0.015 . 978 164 84 ASN CA C 51.387 0.150 . 979 164 84 ASN CB C 39.274 0.150 . 980 164 84 ASN N N 111.738 0.150 . 981 164 84 ASN ND2 N 112.674 0.150 . 982 165 85 PRO HA H 4.426 0.015 . 983 165 85 PRO HB2 H 2.215 0.015 . 984 165 85 PRO HB3 H 1.985 0.015 . 985 165 85 PRO HG2 H 2.048 0.015 . 986 165 85 PRO HG3 H 1.936 0.015 . 987 165 85 PRO HD2 H 3.724 0.015 . 988 165 85 PRO HD3 H 3.605 0.015 . 989 165 85 PRO C C 175.898 0.150 . 990 165 85 PRO CA C 65.022 0.150 . 991 165 85 PRO CB C 32.305 0.150 . 992 165 85 PRO CG C 26.899 0.150 . 993 165 85 PRO CD C 50.25 0.150 . 994 166 86 ASP H H 8.056 0.015 . 995 166 86 ASP HA H 4.705 0.015 . 996 166 86 ASP HB2 H 2.783 0.015 . 997 166 86 ASP HB3 H 2.589 0.015 . 998 166 86 ASP C C 176.814 0.150 . 999 166 86 ASP CA C 54.268 0.150 . 1000 166 86 ASP CB C 41.504 0.150 . 1001 166 86 ASP N N 115.241 0.150 . 1002 167 87 ASP H H 7.143 0.015 . 1003 167 87 ASP HA H 4.765 0.015 . 1004 167 87 ASP HB2 H 2.771 0.015 . 1005 167 87 ASP HB3 H 2.733 0.015 . 1006 167 87 ASP C C 175.29 0.150 . 1007 167 87 ASP CA C 52.538 0.150 . 1008 167 87 ASP CB C 42.541 0.150 . 1009 167 87 ASP N N 123.758 0.150 . 1010 168 88 PRO HA H 4.161 0.015 . 1011 168 88 PRO HB2 H 2.399 0.015 . 1012 168 88 PRO HB3 H 2.038 0.015 . 1013 168 88 PRO HG2 H 2.166 0.015 . 1014 168 88 PRO HG3 H 2.101 0.015 . 1015 168 88 PRO HD2 H 3.982 0.015 . 1016 168 88 PRO HD3 H 3.817 0.015 . 1017 168 88 PRO C C 179.062 0.150 . 1018 168 88 PRO CA C 65.887 0.150 . 1019 168 88 PRO CB C 32.313 0.150 . 1020 168 88 PRO CG C 27.619 0.150 . 1021 168 88 PRO CD C 50.835 0.150 . 1022 169 89 ASP H H 8.246 0.015 . 1023 169 89 ASP HA H 4.573 0.015 . 1024 169 89 ASP HB2 H 2.76 0.015 . 1025 169 89 ASP HB3 H 2.665 0.015 . 1026 169 89 ASP C C 178.765 0.150 . 1027 169 89 ASP CA C 57.224 0.150 . 1028 169 89 ASP CB C 40.467 0.150 . 1029 169 89 ASP N N 118.276 0.150 . 1030 170 90 ASN H H 8.373 0.015 . 1031 170 90 ASN HA H 4.416 0.015 . 1032 170 90 ASN HB2 H 3.144 0.015 . 1033 170 90 ASN HB3 H 2.749 0.015 . 1034 170 90 ASN HD21 H 8.024 0.015 . 1035 170 90 ASN HD22 H 7.033 0.015 . 1036 170 90 ASN C C 176.954 0.150 . 1037 170 90 ASN CA C 55.398 0.150 . 1038 170 90 ASN CB C 37.44 0.150 . 1039 170 90 ASN N N 122.535 0.150 . 1040 170 90 ASN ND2 N 111.834 0.150 . 1041 171 91 LYS H H 8.847 0.015 . 1042 171 91 LYS HA H 3.979 0.015 . 1043 171 91 LYS HB2 H 2.015 0.015 . 1044 171 91 LYS HB3 H 1.836 0.015 . 1045 171 91 LYS HG2 H 1.6 0.015 . 1046 171 91 LYS HG3 H 1.476 0.015 . 1047 171 91 LYS HD2 H 1.737 0.015 . 1048 171 91 LYS HD3 H 1.737 0.015 . 1049 171 91 LYS HE2 H 3.052 0.015 . 1050 171 91 LYS HE3 H 3.052 0.015 . 1051 171 91 LYS C C 179.32 0.150 . 1052 171 91 LYS CA C 60.091 0.150 . 1053 171 91 LYS CB C 32.648 0.150 . 1054 171 91 LYS CG C 24.993 0.150 . 1055 171 91 LYS CD C 29.694 0.150 . 1056 171 91 LYS CE C 42.118 0.150 . 1057 171 91 LYS N N 121.095 0.150 . 1058 172 92 LYS H H 7.518 0.015 . 1059 172 92 LYS HA H 4.137 0.015 . 1060 172 92 LYS HB2 H 1.965 0.015 . 1061 172 92 LYS HB3 H 1.965 0.015 . 1062 172 92 LYS HG2 H 1.599 0.015 . 1063 172 92 LYS HG3 H 1.47 0.015 . 1064 172 92 LYS HD2 H 1.762 0.015 . 1065 172 92 LYS HD3 H 1.762 0.015 . 1066 172 92 LYS HE2 H 3.048 0.015 . 1067 172 92 LYS HE3 H 3.048 0.015 . 1068 172 92 LYS C C 178.198 0.150 . 1069 172 92 LYS CA C 59.145 0.150 . 1070 172 92 LYS CB C 32.731 0.150 . 1071 172 92 LYS CG C 24.96 0.150 . 1072 172 92 LYS CD C 29.6 0.150 . 1073 172 92 LYS CE C 40.772 0.150 . 1074 172 92 LYS N N 119.276 0.150 . 1075 173 93 ARG H H 7.646 0.015 . 1076 173 93 ARG HA H 4.201 0.015 . 1077 173 93 ARG HB2 H 1.988 0.015 . 1078 173 93 ARG HB3 H 2.097 0.015 . 1079 173 93 ARG HG2 H 1.817 0.015 . 1080 173 93 ARG HG3 H 1.582 0.015 . 1081 173 93 ARG HD2 H 3.466 0.015 . 1082 173 93 ARG HD3 H 3.113 0.015 . 1083 173 93 ARG C C 178.162 0.150 . 1084 173 93 ARG CA C 57.999 0.150 . 1085 173 93 ARG CB C 29.845 0.150 . 1086 173 93 ARG CG C 27.362 0.150 . 1087 173 93 ARG CD C 43.075 0.150 . 1088 173 93 ARG N N 120.716 0.150 . 1089 174 94 ILE H H 8.643 0.015 . 1090 174 94 ILE HA H 3.474 0.015 . 1091 174 94 ILE HB H 1.872 0.015 . 1092 174 94 ILE HG12 H 1.798 0.015 . 1093 174 94 ILE HG13 H 0.857 0.015 . 1094 174 94 ILE HG2 H 0.951 0.015 . 1095 174 94 ILE HD1 H 0.861 0.015 . 1096 174 94 ILE C C 177.112 0.150 . 1097 174 94 ILE CA C 65.534 0.150 . 1098 174 94 ILE CB C 38.306 0.150 . 1099 174 94 ILE CG1 C 30.624 0.150 . 1100 174 94 ILE CG2 C 17.432 0.150 . 1101 174 94 ILE CD1 C 13.558 0.150 . 1102 174 94 ILE N N 119.596 0.150 . 1103 175 95 ALA H H 7.809 0.015 . 1104 175 95 ALA HA H 4.096 0.015 . 1105 175 95 ALA HB H 1.546 0.015 . 1106 175 95 ALA C C 180.2 0.150 . 1107 175 95 ALA CA C 55.352 0.150 . 1108 175 95 ALA CB C 18.058 0.150 . 1109 175 95 ALA N N 120.657 0.150 . 1110 176 96 GLU H H 7.88 0.015 . 1111 176 96 GLU HA H 4.156 0.015 . 1112 176 96 GLU HB2 H 2.292 0.015 . 1113 176 96 GLU HB3 H 2.172 0.015 . 1114 176 96 GLU HG2 H 2.503 0.015 . 1115 176 96 GLU HG3 H 2.321 0.015 . 1116 176 96 GLU C C 179.296 0.150 . 1117 176 96 GLU CA C 58.895 0.150 . 1118 176 96 GLU CB C 29.739 0.150 . 1119 176 96 GLU CG C 36.412 0.150 . 1120 176 96 GLU N N 118.077 0.150 . 1121 177 97 LEU H H 8.062 0.015 . 1122 177 97 LEU HA H 4.022 0.015 . 1123 177 97 LEU HB2 H 1.561 0.015 . 1124 177 97 LEU HB3 H 1.561 0.015 . 1125 177 97 LEU HG H 1.713 0.015 . 1126 177 97 LEU HD1 H 0.799 0.015 . 1127 177 97 LEU HD2 H 0.595 0.015 . 1128 177 97 LEU C C 179.567 0.150 . 1129 177 97 LEU CA C 57.46 0.150 . 1130 177 97 LEU CB C 41.209 0.150 . 1131 177 97 LEU CG C 26.612 0.150 . 1132 177 97 LEU CD1 C 22.9 0.150 . 1133 177 97 LEU CD2 C 26.355 0.150 . 1134 177 97 LEU N N 121.487 0.150 . 1135 178 98 LEU H H 8.395 0.015 . 1136 178 98 LEU HA H 4.225 0.015 . 1137 178 98 LEU HB2 H 1.933 0.015 . 1138 178 98 LEU HB3 H 1.578 0.015 . 1139 178 98 LEU HG H 1.863 0.015 . 1140 178 98 LEU HD1 H 0.946 0.015 . 1141 178 98 LEU HD2 H 0.999 0.015 . 1142 178 98 LEU C C 179.572 0.150 . 1143 178 98 LEU CA C 57.443 0.150 . 1144 178 98 LEU CB C 41.875 0.150 . 1145 178 98 LEU CG C 26.997 0.150 . 1146 178 98 LEU CD1 C 25.887 0.150 . 1147 178 98 LEU CD2 C 23.221 0.150 . 1148 178 98 LEU N N 120.643 0.150 . 1149 179 99 ASP H H 8.062 0.015 . 1150 179 99 ASP HA H 4.577 0.015 . 1151 179 99 ASP HB2 H 2.856 0.015 . 1152 179 99 ASP HB3 H 2.77 0.015 . 1153 179 99 ASP C C 178.029 0.150 . 1154 179 99 ASP CA C 56.581 0.150 . 1155 179 99 ASP CB C 40.816 0.150 . 1156 179 99 ASP N N 120.938 0.150 . 1157 180 100 GLN H H 8.059 0.015 . 1158 180 100 GLN HA H 4.115 0.015 . 1159 180 100 GLN HB2 H 2.235 0.015 . 1160 180 100 GLN HB3 H 2.235 0.015 . 1161 180 100 GLN HG2 H 2.463 0.015 . 1162 180 100 GLN HG3 H 2.565 0.015 . 1163 180 100 GLN HE21 H 7.692 0.015 . 1164 180 100 GLN HE22 H 6.772 0.015 . 1165 180 100 GLN C C 177.512 0.150 . 1166 180 100 GLN CA C 57.99 0.150 . 1167 180 100 GLN CB C 28.803 0.150 . 1168 180 100 GLN CG C 34.045 0.150 . 1169 180 100 GLN N N 119.232 0.150 . 1170 180 100 GLN NE2 N 112.274 0.150 . 1171 181 101 GLN H H 8.212 0.015 . 1172 181 101 GLN HA H 4.266 0.015 . 1173 181 101 GLN HB2 H 2.298 0.015 . 1174 181 101 GLN HB3 H 2.298 0.015 . 1175 181 101 GLN HG2 H 2.606 0.015 . 1176 181 101 GLN HG3 H 2.476 0.015 . 1177 181 101 GLN HE21 H 7.603 0.015 . 1178 181 101 GLN HE22 H 6.644 0.015 . 1179 181 101 GLN C C 177.271 0.150 . 1180 181 101 GLN CA C 58.005 0.150 . 1181 181 101 GLN CB C 28.993 0.150 . 1182 181 101 GLN CG C 34.093 0.150 . 1183 181 101 GLN N N 119.341 0.150 . 1184 181 101 GLN NE2 N 111.088 0.150 . 1185 182 102 ALA H H 8.004 0.015 . 1186 182 102 ALA HA H 4.325 0.015 . 1187 182 102 ALA HB H 1.562 0.015 . 1188 182 102 ALA C C 179.778 0.150 . 1189 182 102 ALA CA C 54.226 0.150 . 1190 182 102 ALA CB C 18.515 0.150 . 1191 182 102 ALA N N 122.571 0.150 . 1192 183 103 ILE H H 7.921 0.015 . 1193 183 103 ILE HA H 3.925 0.015 . 1194 183 103 ILE HB H 1.978 0.015 . 1195 183 103 ILE HG12 H 1.696 0.015 . 1196 183 103 ILE HG13 H 1.175 0.015 . 1197 183 103 ILE HG2 H 0.952 0.015 . 1198 183 103 ILE HD1 H 0.88 0.015 . 1199 183 103 ILE C C 177.256 0.150 . 1200 183 103 ILE CA C 63.617 0.150 . 1201 183 103 ILE CB C 38.381 0.150 . 1202 183 103 ILE CG1 C 28.559 0.150 . 1203 183 103 ILE CG2 C 17.559 0.150 . 1204 183 103 ILE CD1 C 13.257 0.150 . 1205 183 103 ILE N N 119.482 0.150 . 1206 184 104 ASP H H 8.386 0.015 . 1207 184 104 ASP HA H 4.445 0.015 . 1208 184 104 ASP HB2 H 2.76 0.015 . 1209 184 104 ASP HB3 H 2.803 0.015 . 1210 184 104 ASP C C 178.089 0.150 . 1211 184 104 ASP CA C 56.88 0.150 . 1212 184 104 ASP CB C 41.269 0.150 . 1213 184 104 ASP N N 121.893 0.150 . 1214 185 105 GLU H H 8.304 0.015 . 1215 185 105 GLU HA H 4.062 0.015 . 1216 185 105 GLU HB2 H 2.164 0.015 . 1217 185 105 GLU HB3 H 2.129 0.015 . 1218 185 105 GLU HG2 H 2.401 0.015 . 1219 185 105 GLU HG3 H 2.32 0.015 . 1220 185 105 GLU C C 178.261 0.150 . 1221 185 105 GLU CA C 58.971 0.150 . 1222 185 105 GLU CB C 29.78 0.150 . 1223 185 105 GLU CG C 36.242 0.150 . 1224 185 105 GLU N N 120.055 0.150 . 1225 186 106 GLN H H 7.995 0.015 . 1226 186 106 GLN HA H 4.202 0.015 . 1227 186 106 GLN HB2 H 2.204 0.015 . 1228 186 106 GLN HB3 H 2.204 0.015 . 1229 186 106 GLN HG2 H 2.502 0.015 . 1230 186 106 GLN HG3 H 2.502 0.015 . 1231 186 106 GLN HE21 H 7.544 0.015 . 1232 186 106 GLN HE22 H 6.832 0.015 . 1233 186 106 GLN C C 178.526 0.150 . 1234 186 106 GLN CA C 58.081 0.150 . 1235 186 106 GLN CB C 28.658 0.150 . 1236 186 106 GLN CG C 34.081 0.150 . 1237 186 106 GLN N N 118.089 0.150 . 1238 186 106 GLN NE2 N 111.785 0.150 . 1239 187 107 LEU H H 8.221 0.015 . 1240 187 107 LEU HA H 4.212 0.015 . 1241 187 107 LEU HB2 H 1.613 0.015 . 1242 187 107 LEU HB3 H 1.856 0.015 . 1243 187 107 LEU HG H 1.785 0.015 . 1244 187 107 LEU HD1 H 0.867 0.015 . 1245 187 107 LEU HD2 H 0.903 0.015 . 1246 187 107 LEU C C 178.451 0.150 . 1247 187 107 LEU CA C 57.102 0.150 . 1248 187 107 LEU CB C 41.902 0.150 . 1249 187 107 LEU CG C 26.923 0.150 . 1250 187 107 LEU CD1 C 23.659 0.150 . 1251 187 107 LEU CD2 C 25.292 0.150 . 1252 187 107 LEU N N 120.22 0.150 . 1253 188 108 ARG H H 8.121 0.015 . 1254 188 108 ARG HA H 4.081 0.015 . 1255 188 108 ARG HB2 H 1.893 0.015 . 1256 188 108 ARG HB3 H 1.893 0.015 . 1257 188 108 ARG HG2 H 1.718 0.015 . 1258 188 108 ARG HG3 H 1.604 0.015 . 1259 188 108 ARG HD2 H 3.218 0.015 . 1260 188 108 ARG HD3 H 3.218 0.015 . 1261 188 108 ARG C C 177.415 0.150 . 1262 188 108 ARG CA C 58.563 0.150 . 1263 188 108 ARG CB C 30.365 0.150 . 1264 188 108 ARG CG C 27.652 0.150 . 1265 188 108 ARG CD C 43.59 0.150 . 1266 188 108 ARG N N 119.092 0.150 . 1267 189 109 ASN H H 8.03 0.015 . 1268 189 109 ASN HA H 4.665 0.015 . 1269 189 109 ASN HB2 H 2.831 0.015 . 1270 189 109 ASN HB3 H 2.831 0.015 . 1271 189 109 ASN HD21 H 7.61 0.015 . 1272 189 109 ASN HD22 H 6.966 0.015 . 1273 189 109 ASN C C 175.664 0.150 . 1274 189 109 ASN CA C 54.318 0.150 . 1275 189 109 ASN CB C 38.944 0.150 . 1276 189 109 ASN N N 116.741 0.150 . 1277 189 109 ASN ND2 N 112.644 0.150 . 1278 190 110 ALA H H 7.89 0.015 . 1279 190 110 ALA HA H 4.358 0.015 . 1280 190 110 ALA HB H 1.524 0.015 . 1281 190 110 ALA C C 177.866 0.150 . 1282 190 110 ALA CA C 53.378 0.150 . 1283 190 110 ALA CB C 19.535 0.150 . 1284 190 110 ALA N N 122.329 0.150 . 1285 191 111 ILE H H 7.863 0.015 . 1286 191 111 ILE HA H 4.105 0.015 . 1287 191 111 ILE HB H 1.872 0.015 . 1288 191 111 ILE HG12 H 1.089 0.015 . 1289 191 111 ILE HG13 H 1.506 0.015 . 1290 191 111 ILE HG2 H 0.847 0.015 . 1291 191 111 ILE HD1 H 0.776 0.015 . 1292 191 111 ILE C C 176.048 0.150 . 1293 191 111 ILE CA C 61.721 0.150 . 1294 191 111 ILE CB C 38.874 0.150 . 1295 191 111 ILE CG1 C 27.714 0.150 . 1296 191 111 ILE CG2 C 17.566 0.150 . 1297 191 111 ILE CD1 C 13.461 0.150 . 1298 191 111 ILE N N 117.91 0.150 . 1299 192 112 GLU H H 8.251 0.015 . 1300 192 112 GLU HA H 4.322 0.015 . 1301 192 112 GLU HB2 H 2.038 0.015 . 1302 192 112 GLU HB3 H 1.95 0.015 . 1303 192 112 GLU HG2 H 2.295 0.015 . 1304 192 112 GLU HG3 H 2.212 0.015 . 1305 192 112 GLU C C 175.814 0.150 . 1306 192 112 GLU CA C 56.567 0.150 . 1307 192 112 GLU CB C 30.368 0.150 . 1308 192 112 GLU CG C 36.354 0.150 . 1309 192 112 GLU N N 123.45 0.150 . 1310 193 113 TYR H H 8.117 0.015 . 1311 193 113 TYR HA H 4.649 0.015 . 1312 193 113 TYR HB2 H 3.065 0.015 . 1313 193 113 TYR HB3 H 2.956 0.015 . 1314 193 113 TYR HD1 H 7.116 0.015 . 1315 193 113 TYR HD2 H 7.116 0.015 . 1316 193 113 TYR HE1 H 6.827 0.015 . 1317 193 113 TYR HE2 H 6.827 0.015 . 1318 193 113 TYR C C 175.16 0.150 . 1319 193 113 TYR CA C 58.063 0.150 . 1320 193 113 TYR CB C 39.222 0.150 . 1321 193 113 TYR CD1 C 133.18 0.150 . 1322 193 113 TYR CE1 C 118.323 0.150 . 1323 193 113 TYR N N 122.349 0.150 . 1324 194 114 THR H H 8.05 0.015 . 1325 194 114 THR HA H 4.557 0.015 . 1326 194 114 THR HB H 4.066 0.015 . 1327 194 114 THR HG2 H 1.213 0.015 . 1328 194 114 THR C C 180.052 0.150 . 1329 194 114 THR CA C 59.161 0.150 . 1330 194 114 THR CB C 70.249 0.150 . 1331 194 114 THR CG2 C 21.288 0.150 . 1332 194 114 THR N N 121.148 0.150 . 1333 195 115 PRO HA H 4.366 0.015 . 1334 195 115 PRO HB2 H 2.333 0.015 . 1335 195 115 PRO HB3 H 2.032 0.015 . 1336 195 115 PRO HG2 H 2.052 0.015 . 1337 195 115 PRO HG3 H 1.988 0.015 . 1338 195 115 PRO HD2 H 3.695 0.015 . 1339 195 115 PRO HD3 H 3.585 0.015 . 1340 195 115 PRO C C 176.012 0.150 . 1341 195 115 PRO CA C 63.295 0.150 . 1342 195 115 PRO CB C 32.155 0.150 . 1343 195 115 PRO CG C 27.163 0.150 . 1344 195 115 PRO CD C 51.038 0.150 . 1345 196 116 GLU H H 7.973 0.015 . 1346 196 116 GLU HA H 4.115 0.015 . 1347 196 116 GLU HB2 H 2.075 0.015 . 1348 196 116 GLU HB3 H 1.922 0.015 . 1349 196 116 GLU HG2 H 2.315 0.015 . 1350 196 116 GLU HG3 H 2.272 0.015 . 1351 196 116 GLU C C 173.213 0.150 . 1352 196 116 GLU CA C 58.242 0.150 . 1353 196 116 GLU CB C 31.226 0.150 . 1354 196 116 GLU N N 126.199 0.150 . stop_ save_