data_27641 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for MPS1 ; _BMRB_accession_number 27641 _BMRB_flat_file_name bmr27641.str _Entry_type original _Submission_date 2018-10-09 _Accession_date 2018-10-09 _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 Hiruma Yoshitaka . . 2 Perrakis Anastassis . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 210 "13C chemical shifts" 617 "15N chemical shifts" 210 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-01 update BMRB 'update entry citation' 2019-02-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27642 'Mps1 62-239' stop_ _Original_release_date 2018-10-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Interactions between N-terminal Modules in MPS1 Enable Spindle Checkpoint Silencing. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30784592 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pachis Spyridon T. . 2 Hiruma Yoshitaka . . 3 Tromer Eelco C. . 4 Perrakis Anastassis . . 5 Kops Geert . . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_name_full 'Cell reports' _Journal_volume 26 _Journal_issue 8 _Journal_ISSN 2211-1247 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2101 _Page_last 2112 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mps1 1-239' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mps1 1-239' $TTK stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TTK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TTK _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 239 _Mol_residue_sequence ; MESEDLSGRELTIDSIMNKV RDIKNKFKNEDLTDELSLNK ISADTTDNSGTVNQIMMMAN NPEDWLSLLLKLEKNSVPLS DALLNKLIGRYSQAIEALPP DKYGQNESFARIQVRFAELK AIQEPDDARDYFQMARANCK KFAFVHISFAQFELSQGNVK KSKQLLQKAVERGAVPLEML EIALRNLNLQKKQLLSEEEK KNLSASTVLTAQESFSGSLG HLQNRNNSCDSRGQTTKAR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 SER 4 GLU 5 ASP 6 LEU 7 SER 8 GLY 9 ARG 10 GLU 11 LEU 12 THR 13 ILE 14 ASP 15 SER 16 ILE 17 MET 18 ASN 19 LYS 20 VAL 21 ARG 22 ASP 23 ILE 24 LYS 25 ASN 26 LYS 27 PHE 28 LYS 29 ASN 30 GLU 31 ASP 32 LEU 33 THR 34 ASP 35 GLU 36 LEU 37 SER 38 LEU 39 ASN 40 LYS 41 ILE 42 SER 43 ALA 44 ASP 45 THR 46 THR 47 ASP 48 ASN 49 SER 50 GLY 51 THR 52 VAL 53 ASN 54 GLN 55 ILE 56 MET 57 MET 58 MET 59 ALA 60 ASN 61 ASN 62 PRO 63 GLU 64 ASP 65 TRP 66 LEU 67 SER 68 LEU 69 LEU 70 LEU 71 LYS 72 LEU 73 GLU 74 LYS 75 ASN 76 SER 77 VAL 78 PRO 79 LEU 80 SER 81 ASP 82 ALA 83 LEU 84 LEU 85 ASN 86 LYS 87 LEU 88 ILE 89 GLY 90 ARG 91 TYR 92 SER 93 GLN 94 ALA 95 ILE 96 GLU 97 ALA 98 LEU 99 PRO 100 PRO 101 ASP 102 LYS 103 TYR 104 GLY 105 GLN 106 ASN 107 GLU 108 SER 109 PHE 110 ALA 111 ARG 112 ILE 113 GLN 114 VAL 115 ARG 116 PHE 117 ALA 118 GLU 119 LEU 120 LYS 121 ALA 122 ILE 123 GLN 124 GLU 125 PRO 126 ASP 127 ASP 128 ALA 129 ARG 130 ASP 131 TYR 132 PHE 133 GLN 134 MET 135 ALA 136 ARG 137 ALA 138 ASN 139 CYS 140 LYS 141 LYS 142 PHE 143 ALA 144 PHE 145 VAL 146 HIS 147 ILE 148 SER 149 PHE 150 ALA 151 GLN 152 PHE 153 GLU 154 LEU 155 SER 156 GLN 157 GLY 158 ASN 159 VAL 160 LYS 161 LYS 162 SER 163 LYS 164 GLN 165 LEU 166 LEU 167 GLN 168 LYS 169 ALA 170 VAL 171 GLU 172 ARG 173 GLY 174 ALA 175 VAL 176 PRO 177 LEU 178 GLU 179 MET 180 LEU 181 GLU 182 ILE 183 ALA 184 LEU 185 ARG 186 ASN 187 LEU 188 ASN 189 LEU 190 GLN 191 LYS 192 LYS 193 GLN 194 LEU 195 LEU 196 SER 197 GLU 198 GLU 199 GLU 200 LYS 201 LYS 202 ASN 203 LEU 204 SER 205 ALA 206 SER 207 THR 208 VAL 209 LEU 210 THR 211 ALA 212 GLN 213 GLU 214 SER 215 PHE 216 SER 217 GLY 218 SER 219 LEU 220 GLY 221 HIS 222 LEU 223 GLN 224 ASN 225 ARG 226 ASN 227 ASN 228 SER 229 CYS 230 ASP 231 SER 232 ARG 233 GLY 234 GLN 235 THR 236 THR 237 LYS 238 ALA 239 ARG 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 $TTK Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $TTK 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TTK 500 uM '[U-13C; U-15N]' HEPES/NaOH 20 mM 'natural abundance' KCl 150 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _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' 0.15 . M pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Mps1 1-239' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.177 0.03 . 2 1 1 MET C C 176.393 0.30 . 3 1 1 MET CA C 55.496 0.30 . 4 1 1 MET CB C 32.97 0.30 . 5 1 1 MET N N 119.771 0.30 . 6 2 2 GLU H H 8.587 0.03 . 7 2 2 GLU C C 176.577 0.30 . 8 2 2 GLU CA C 56.946 0.30 . 9 2 2 GLU CB C 29.971 0.30 . 10 2 2 GLU N N 122.017 0.30 . 11 3 3 SER H H 8.244 0.03 . 12 3 3 SER C C 174.568 0.30 . 13 3 3 SER CA C 58.436 0.30 . 14 3 3 SER CB C 63.874 0.30 . 15 3 3 SER N N 116.172 0.30 . 16 4 4 GLU H H 8.378 0.03 . 17 4 4 GLU C C 176.025 0.30 . 18 4 4 GLU CA C 56.739 0.30 . 19 4 4 GLU CB C 30.403 0.30 . 20 4 4 GLU N N 122.783 0.30 . 21 5 5 ASP H H 8.319 0.03 . 22 5 5 ASP C C 176.507 0.30 . 23 5 5 ASP CA C 54.223 0.30 . 24 5 5 ASP CB C 41.043 0.30 . 25 5 5 ASP N N 121.246 0.30 . 26 6 6 LEU H H 8.292 0.03 . 27 6 6 LEU C C 177.968 0.30 . 28 6 6 LEU CA C 55.288 0.30 . 29 6 6 LEU CB C 41.81 0.30 . 30 6 6 LEU N N 123.851 0.30 . 31 7 7 SER H H 8.335 0.03 . 32 7 7 SER C C 175.491 0.30 . 33 7 7 SER CA C 59.617 0.30 . 34 7 7 SER CB C 63.71 0.30 . 35 7 7 SER N N 116.205 0.30 . 36 8 8 GLY H H 8.409 0.03 . 37 8 8 GLY C C 174.506 0.30 . 38 8 8 GLY CA C 45.631 0.30 . 39 8 8 GLY N N 110.7 0.30 . 40 9 9 ARG H H 7.927 0.03 . 41 9 9 ARG C C 176.297 0.30 . 42 9 9 ARG CA C 56.318 0.30 . 43 9 9 ARG CB C 30.777 0.30 . 44 9 9 ARG N N 120.161 0.30 . 45 10 10 GLU H H 8.47 0.03 . 46 10 10 GLU C C 176.33 0.30 . 47 10 10 GLU CA C 56.786 0.30 . 48 10 10 GLU CB C 29.956 0.30 . 49 10 10 GLU N N 121.413 0.30 . 50 11 11 LEU H H 8.198 0.03 . 51 11 11 LEU C C 177.379 0.30 . 52 11 11 LEU CA C 55.173 0.30 . 53 11 11 LEU CB C 42.452 0.30 . 54 11 11 LEU N N 123.077 0.30 . 55 12 12 THR H H 8.043 0.03 . 56 12 12 THR C C 174.473 0.30 . 57 12 12 THR CA C 61.472 0.30 . 58 12 12 THR CB C 70.013 0.30 . 59 12 12 THR N N 114.552 0.30 . 60 13 13 ILE H H 8.239 0.03 . 61 13 13 ILE CA C 62.043 0.30 . 62 13 13 ILE CB C 38.31 0.30 . 63 13 13 ILE N N 122.183 0.30 . 64 14 14 ASP CA C 55.596 0.30 . 65 14 14 ASP CB C 41.067 0.30 . 66 15 15 SER H H 8.012 0.03 . 67 15 15 SER C C 175.714 0.30 . 68 15 15 SER CA C 59.656 0.30 . 69 15 15 SER CB C 63.505 0.30 . 70 15 15 SER N N 115.497 0.30 . 71 16 16 ILE H H 7.959 0.03 . 72 16 16 ILE C C 177.252 0.30 . 73 16 16 ILE CA C 62.88 0.30 . 74 16 16 ILE CB C 38.269 0.30 . 75 16 16 ILE N N 122.491 0.30 . 76 17 17 MET H H 8.266 0.03 . 77 17 17 MET C C 177.122 0.30 . 78 17 17 MET CA C 56.184 0.30 . 79 17 17 MET CB C 31.812 0.30 . 80 17 17 MET N N 120.675 0.30 . 81 18 18 ASN H H 8.11 0.03 . 82 18 18 ASN C C 175.75 0.30 . 83 18 18 ASN CA C 54.209 0.30 . 84 18 18 ASN CB C 38.458 0.30 . 85 18 18 ASN N N 118.728 0.30 . 86 19 19 LYS H H 7.892 0.03 . 87 19 19 LYS C C 177.398 0.30 . 88 19 19 LYS CA C 57.454 0.30 . 89 19 19 LYS CB C 32.74 0.30 . 90 19 19 LYS N N 120.853 0.30 . 91 20 20 VAL H H 7.969 0.03 . 92 20 20 VAL C C 176.403 0.30 . 93 20 20 VAL CA C 63.686 0.30 . 94 20 20 VAL CB C 32.125 0.30 . 95 20 20 VAL N N 120.375 0.30 . 96 21 21 ARG H H 8.185 0.03 . 97 21 21 ARG C C 176.303 0.30 . 98 21 21 ARG CA C 56.978 0.30 . 99 21 21 ARG CB C 30.685 0.30 . 100 21 21 ARG N N 122.86 0.30 . 101 22 22 ASP H H 8.09 0.03 . 102 22 22 ASP C C 176.761 0.30 . 103 22 22 ASP CA C 54.814 0.30 . 104 22 22 ASP CB C 41.179 0.30 . 105 22 22 ASP N N 120.951 0.30 . 106 23 23 ILE H H 7.942 0.03 . 107 23 23 ILE C C 176.852 0.30 . 108 23 23 ILE CA C 62.453 0.30 . 109 23 23 ILE CB C 38.465 0.30 . 110 23 23 ILE N N 121.241 0.30 . 111 24 24 LYS H H 8.234 0.03 . 112 24 24 LYS C C 176.986 0.30 . 113 24 24 LYS CA C 57.29 0.30 . 114 24 24 LYS CB C 32.388 0.30 . 115 24 24 LYS N N 123.013 0.30 . 116 26 26 LYS CA C 56.969 0.30 . 117 26 26 LYS CB C 32.805 0.30 . 118 27 27 PHE H H 8.071 0.03 . 119 27 27 PHE C C 175.524 0.30 . 120 27 27 PHE CA C 57.686 0.30 . 121 27 27 PHE CB C 39.357 0.30 . 122 27 27 PHE N N 119.983 0.30 . 123 28 28 LYS H H 8.056 0.03 . 124 28 28 LYS C C 175.988 0.30 . 125 28 28 LYS CA C 56.302 0.30 . 126 28 28 LYS CB C 33.046 0.30 . 127 28 28 LYS N N 122.189 0.30 . 128 29 29 ASN H H 8.345 0.03 . 129 29 29 ASN C C 175.381 0.30 . 130 29 29 ASN CA C 53.655 0.30 . 131 29 29 ASN CB C 38.84 0.30 . 132 29 29 ASN N N 120.063 0.30 . 133 30 30 GLU H H 8.432 0.03 . 134 30 30 GLU C C 175.979 0.30 . 135 30 30 GLU CA C 56.906 0.30 . 136 30 30 GLU CB C 30.198 0.30 . 137 30 30 GLU N N 121.077 0.30 . 138 31 31 ASP H H 8.238 0.03 . 139 31 31 ASP C C 176.21 0.30 . 140 31 31 ASP CA C 54.476 0.30 . 141 31 31 ASP CB C 41.108 0.30 . 142 31 31 ASP N N 120.687 0.30 . 143 32 32 LEU H H 8.095 0.03 . 144 32 32 LEU C C 177.513 0.30 . 145 32 32 LEU CA C 55.228 0.30 . 146 32 32 LEU CB C 42.054 0.30 . 147 32 32 LEU N N 122.256 0.30 . 148 33 33 THR H H 8.036 0.03 . 149 33 33 THR C C 174.484 0.30 . 150 33 33 THR CA C 62.329 0.30 . 151 33 33 THR CB C 69.777 0.30 . 152 33 33 THR N N 114.072 0.30 . 153 34 34 ASP H H 8.255 0.03 . 154 34 34 ASP C C 176.572 0.30 . 155 34 34 ASP CA C 54.559 0.30 . 156 34 34 ASP CB C 41.183 0.30 . 157 34 34 ASP N N 122.434 0.30 . 158 35 35 GLU H H 8.387 0.03 . 159 35 35 GLU C C 177.073 0.30 . 160 35 35 GLU CA C 57.617 0.30 . 161 35 35 GLU CB C 29.995 0.30 . 162 35 35 GLU N N 121.412 0.30 . 163 36 36 LEU H H 8.135 0.03 . 164 36 36 LEU C C 177.84 0.30 . 165 36 36 LEU CA C 55.71 0.30 . 166 36 36 LEU CB C 41.886 0.30 . 167 36 36 LEU N N 121.133 0.30 . 168 37 37 SER H H 8.001 0.03 . 169 37 37 SER C C 174.929 0.30 . 170 37 37 SER CA C 58.849 0.30 . 171 37 37 SER CB C 63.544 0.30 . 172 37 37 SER N N 115.484 0.30 . 173 38 38 LEU H H 8.036 0.03 . 174 38 38 LEU C C 177.337 0.30 . 175 38 38 LEU CA C 55.748 0.30 . 176 38 38 LEU CB C 42.125 0.30 . 177 38 38 LEU N N 122.928 0.30 . 178 39 39 ASN H H 8.198 0.03 . 179 39 39 ASN C C 175.047 0.30 . 180 39 39 ASN CA C 53.512 0.30 . 181 39 39 ASN CB C 38.713 0.30 . 182 39 39 ASN N N 118.075 0.30 . 183 40 40 LYS H H 7.992 0.03 . 184 40 40 LYS C C 176.483 0.30 . 185 40 40 LYS CA C 56.481 0.30 . 186 40 40 LYS CB C 32.964 0.30 . 187 40 40 LYS N N 121.041 0.30 . 188 41 41 ILE H H 8.045 0.03 . 189 41 41 ILE C C 176.269 0.30 . 190 41 41 ILE CA C 61.238 0.30 . 191 41 41 ILE CB C 38.637 0.30 . 192 41 41 ILE N N 121.446 0.30 . 193 42 42 SER H H 8.257 0.03 . 194 42 42 SER C C 174.208 0.30 . 195 42 42 SER CA C 58.103 0.30 . 196 42 42 SER CB C 63.935 0.30 . 197 42 42 SER N N 119.538 0.30 . 198 43 43 ALA H H 8.306 0.03 . 199 43 43 ALA C C 177.299 0.30 . 200 43 43 ALA CA C 52.643 0.30 . 201 43 43 ALA CB C 19.264 0.30 . 202 43 43 ALA N N 126.16 0.30 . 203 44 44 ASP H H 8.244 0.03 . 204 44 44 ASP C C 176.591 0.30 . 205 44 44 ASP CA C 54.384 0.30 . 206 44 44 ASP CB C 41.189 0.30 . 207 44 44 ASP N N 119.199 0.30 . 208 45 45 THR H H 8.053 0.03 . 209 45 45 THR C C 174.89 0.30 . 210 45 45 THR CA C 61.78 0.30 . 211 45 45 THR CB C 69.639 0.30 . 212 45 45 THR N N 114.046 0.30 . 213 46 46 THR H H 8.161 0.03 . 214 46 46 THR C C 174.31 0.30 . 215 46 46 THR CA C 62.32 0.30 . 216 46 46 THR CB C 69.769 0.30 . 217 46 46 THR N N 115.956 0.30 . 218 50 50 GLY CA C 45.586 0.30 . 219 51 51 THR H H 7.924 0.03 . 220 51 51 THR C C 174.944 0.30 . 221 51 51 THR CA C 62.469 0.30 . 222 51 51 THR CB C 69.765 0.30 . 223 51 51 THR N N 114.095 0.30 . 224 52 52 VAL H H 8.08 0.03 . 225 52 52 VAL C C 176.004 0.30 . 226 52 52 VAL CA C 63.214 0.30 . 227 52 52 VAL CB C 32.37 0.30 . 228 52 52 VAL N N 121.829 0.30 . 229 53 53 ASN H H 8.314 0.03 . 230 53 53 ASN C C 175.378 0.30 . 231 53 53 ASN CA C 53.827 0.30 . 232 53 53 ASN CB C 38.746 0.30 . 233 53 53 ASN N N 121.196 0.30 . 234 54 54 GLN H H 8.12 0.03 . 235 54 54 GLN C C 176.304 0.30 . 236 54 54 GLN CA C 56.744 0.30 . 237 54 54 GLN CB C 29.217 0.30 . 238 54 54 GLN N N 120.362 0.30 . 239 55 55 ILE H H 8.017 0.03 . 240 55 55 ILE C C 176.624 0.30 . 241 55 55 ILE CA C 62.035 0.30 . 242 55 55 ILE CB C 38.293 0.30 . 243 55 55 ILE N N 121.174 0.30 . 244 56 56 MET H H 8.155 0.03 . 245 56 56 MET C C 176.141 0.30 . 246 56 56 MET CA C 55.866 0.30 . 247 56 56 MET CB C 32.592 0.30 . 248 56 56 MET N N 122.348 0.30 . 249 57 57 MET H H 8.02 0.03 . 250 57 57 MET C C 175.794 0.30 . 251 57 57 MET CA C 55.559 0.30 . 252 57 57 MET CB C 32.73 0.30 . 253 57 57 MET N N 120.418 0.30 . 254 58 58 MET H H 7.908 0.03 . 255 58 58 MET C C 174.899 0.30 . 256 58 58 MET CA C 55.224 0.30 . 257 58 58 MET CB C 33.131 0.30 . 258 58 58 MET N N 120.279 0.30 . 259 59 59 ALA H H 7.546 0.03 . 260 59 59 ALA C C 176.662 0.30 . 261 59 59 ALA CA C 51.654 0.30 . 262 59 59 ALA CB C 19.005 0.30 . 263 59 59 ALA N N 123.824 0.30 . 264 60 60 ASN H H 8.561 0.03 . 265 60 60 ASN C C 174.1 0.30 . 266 60 60 ASN CA C 52.787 0.30 . 267 60 60 ASN CB C 39.487 0.30 . 268 60 60 ASN N N 117.449 0.30 . 269 61 61 ASN H H 7.893 0.03 . 270 61 61 ASN C C 173.289 0.30 . 271 61 61 ASN CA C 51.439 0.30 . 272 61 61 ASN CB C 39.108 0.30 . 273 61 61 ASN N N 115.616 0.30 . 274 62 62 PRO CA C 65.696 0.30 . 275 62 62 PRO CB C 32.358 0.30 . 276 63 63 GLU H H 8.972 0.03 . 277 63 63 GLU C C 179.414 0.30 . 278 63 63 GLU CA C 62.086 0.30 . 279 63 63 GLU N N 118.898 0.30 . 280 64 64 ASP H H 7.666 0.03 . 281 64 64 ASP N N 120.002 0.30 . 282 65 65 TRP H H 8.016 0.03 . 283 65 65 TRP HE1 H 9.925 0.03 . 284 65 65 TRP CA C 61.195 0.30 . 285 65 65 TRP CB C 29.772 0.30 . 286 65 65 TRP N N 120.359 0.30 . 287 65 65 TRP NE1 N 128.026 0.30 . 288 66 66 LEU H H 8.766 0.03 . 289 66 66 LEU C C 177.762 0.30 . 290 66 66 LEU CA C 58.528 0.30 . 291 66 66 LEU CB C 41.215 0.30 . 292 66 66 LEU N N 119.167 0.30 . 293 67 67 SER H H 7.75 0.03 . 294 67 67 SER C C 177.324 0.30 . 295 67 67 SER CA C 61.822 0.30 . 296 67 67 SER CB C 62.874 0.30 . 297 67 67 SER N N 111.49 0.30 . 298 68 68 LEU H H 7.397 0.03 . 299 68 68 LEU C C 179.425 0.30 . 300 68 68 LEU CA C 58.541 0.30 . 301 68 68 LEU N N 121.446 0.30 . 302 69 69 LEU H H 8.609 0.03 . 303 69 69 LEU C C 179.943 0.30 . 304 69 69 LEU CA C 58.127 0.30 . 305 69 69 LEU CB C 40.628 0.30 . 306 69 69 LEU N N 120.931 0.30 . 307 70 70 LEU H H 8.951 0.03 . 308 70 70 LEU C C 180.463 0.30 . 309 70 70 LEU CA C 58.141 0.30 . 310 70 70 LEU CB C 41.395 0.30 . 311 70 70 LEU N N 121.315 0.30 . 312 71 71 LYS H H 7.495 0.03 . 313 71 71 LYS C C 178.802 0.30 . 314 71 71 LYS CA C 59.803 0.30 . 315 71 71 LYS CB C 32.075 0.30 . 316 71 71 LYS N N 120.857 0.30 . 317 72 72 LEU H H 8.052 0.03 . 318 72 72 LEU C C 180.71 0.30 . 319 72 72 LEU CA C 57.673 0.30 . 320 72 72 LEU CB C 41.435 0.30 . 321 72 72 LEU N N 119.481 0.30 . 322 73 73 GLU H H 8.347 0.03 . 323 73 73 GLU C C 178.911 0.30 . 324 73 73 GLU CA C 60.833 0.30 . 325 73 73 GLU CB C 29.249 0.30 . 326 73 73 GLU N N 120.869 0.30 . 327 74 74 LYS H H 7.88 0.03 . 328 74 74 LYS C C 177.516 0.30 . 329 74 74 LYS CA C 58.829 0.30 . 330 74 74 LYS CB C 32.043 0.30 . 331 74 74 LYS N N 119.455 0.30 . 332 75 75 ASN H H 7.533 0.03 . 333 75 75 ASN C C 175.874 0.30 . 334 75 75 ASN CA C 53.582 0.30 . 335 75 75 ASN CB C 39.434 0.30 . 336 75 75 ASN N N 114.218 0.30 . 337 76 76 SER H H 7.562 0.03 . 338 76 76 SER C C 171.324 0.30 . 339 76 76 SER CA C 57.564 0.30 . 340 76 76 SER CB C 63.488 0.30 . 341 76 76 SER N N 117.505 0.30 . 342 77 77 VAL H H 7.093 0.03 . 343 77 77 VAL C C 174.838 0.30 . 344 77 77 VAL CA C 58.498 0.30 . 345 77 77 VAL N N 117.1 0.30 . 346 78 78 PRO CA C 62.69 0.30 . 347 78 78 PRO CB C 34.014 0.30 . 348 79 79 LEU H H 8.717 0.03 . 349 79 79 LEU C C 175.638 0.30 . 350 79 79 LEU CA C 55.331 0.30 . 351 79 79 LEU CB C 41.277 0.30 . 352 79 79 LEU N N 124.21 0.30 . 353 80 80 SER H H 7.247 0.03 . 354 80 80 SER C C 174.084 0.30 . 355 80 80 SER CA C 56.152 0.30 . 356 80 80 SER N N 118.512 0.30 . 357 81 81 ASP CA C 57.948 0.30 . 358 81 81 ASP CB C 40.371 0.30 . 359 82 82 ALA H H 8.425 0.03 . 360 82 82 ALA C C 181.096 0.30 . 361 82 82 ALA CA C 55.217 0.30 . 362 82 82 ALA CB C 18.374 0.30 . 363 82 82 ALA N N 121.721 0.30 . 364 83 83 LEU H H 7.77 0.03 . 365 83 83 LEU C C 179.762 0.30 . 366 83 83 LEU CA C 57.565 0.30 . 367 83 83 LEU CB C 42.188 0.30 . 368 83 83 LEU N N 118.983 0.30 . 369 84 84 LEU H H 8.551 0.03 . 370 84 84 LEU C C 177.891 0.30 . 371 84 84 LEU CA C 58.251 0.30 . 372 84 84 LEU CB C 41.255 0.30 . 373 84 84 LEU N N 122.91 0.30 . 374 85 85 ASN H H 8.061 0.03 . 375 85 85 ASN C C 178.809 0.30 . 376 85 85 ASN CA C 56.794 0.30 . 377 85 85 ASN CB C 38.172 0.30 . 378 85 85 ASN N N 116.881 0.30 . 379 86 86 LYS H H 7.829 0.03 . 380 86 86 LYS C C 179.03 0.30 . 381 86 86 LYS CA C 59.341 0.30 . 382 86 86 LYS CB C 32.467 0.30 . 383 86 86 LYS N N 120.779 0.30 . 384 87 87 LEU H H 8.241 0.03 . 385 87 87 LEU C C 179.15 0.30 . 386 87 87 LEU CA C 58.463 0.30 . 387 87 87 LEU CB C 42.73 0.30 . 388 87 87 LEU N N 122.371 0.30 . 389 88 88 ILE H H 8.721 0.03 . 390 88 88 ILE C C 178.432 0.30 . 391 88 88 ILE CA C 66.375 0.30 . 392 88 88 ILE CB C 37.589 0.30 . 393 88 88 ILE N N 119.97 0.30 . 394 89 89 GLY H H 8.063 0.03 . 395 89 89 GLY C C 176.553 0.30 . 396 89 89 GLY CA C 47.255 0.30 . 397 89 89 GLY N N 107.557 0.30 . 398 90 90 ARG H H 7.888 0.03 . 399 90 90 ARG C C 178.977 0.30 . 400 90 90 ARG CA C 57.564 0.30 . 401 90 90 ARG CB C 28.857 0.30 . 402 90 90 ARG N N 122.52 0.30 . 403 91 91 TYR H H 8.595 0.03 . 404 91 91 TYR C C 178.252 0.30 . 405 91 91 TYR CA C 63.543 0.30 . 406 91 91 TYR CB C 40.059 0.30 . 407 91 91 TYR N N 119.235 0.30 . 408 92 92 SER H H 8.476 0.03 . 409 92 92 SER C C 176.392 0.30 . 410 92 92 SER CA C 61.968 0.30 . 411 92 92 SER CB C 62.612 0.30 . 412 92 92 SER N N 113.153 0.30 . 413 93 93 GLN H H 7.286 0.03 . 414 93 93 GLN C C 177.892 0.30 . 415 93 93 GLN CA C 58.848 0.30 . 416 93 93 GLN CB C 28.525 0.30 . 417 93 93 GLN N N 120.814 0.30 . 418 94 94 ALA H H 6.945 0.03 . 419 94 94 ALA C C 178.062 0.30 . 420 94 94 ALA CA C 54.374 0.30 . 421 94 94 ALA CB C 17.976 0.30 . 422 94 94 ALA N N 123.487 0.30 . 423 95 95 ILE H H 7.566 0.03 . 424 95 95 ILE C C 179.221 0.30 . 425 95 95 ILE CA C 63.461 0.30 . 426 95 95 ILE CB C 36.725 0.30 . 427 95 95 ILE N N 115.274 0.30 . 428 96 96 GLU H H 7.613 0.03 . 429 96 96 GLU C C 177.381 0.30 . 430 96 96 GLU CA C 58.568 0.30 . 431 96 96 GLU CB C 29.542 0.30 . 432 96 96 GLU N N 118.689 0.30 . 433 97 97 ALA H H 7.18 0.03 . 434 97 97 ALA C C 177.468 0.30 . 435 97 97 ALA CA C 53.174 0.30 . 436 97 97 ALA CB C 20.025 0.30 . 437 97 97 ALA N N 119.35 0.30 . 438 98 98 LEU H H 6.974 0.03 . 439 98 98 LEU CA C 51.062 0.30 . 440 98 98 LEU N N 119.485 0.30 . 441 100 100 PRO CA C 64.778 0.30 . 442 100 100 PRO CB C 31.757 0.30 . 443 101 101 ASP H H 8.561 0.03 . 444 101 101 ASP C C 177.4 0.30 . 445 101 101 ASP CA C 55.912 0.30 . 446 101 101 ASP CB C 39.413 0.30 . 447 101 101 ASP N N 115.888 0.30 . 448 102 102 LYS H H 7.098 0.03 . 449 102 102 LYS C C 178.338 0.30 . 450 102 102 LYS CA C 56.888 0.30 . 451 102 102 LYS CB C 33.543 0.30 . 452 102 102 LYS N N 117.333 0.30 . 453 103 103 TYR H H 6.893 0.03 . 454 103 103 TYR C C 175.587 0.30 . 455 103 103 TYR CA C 58.157 0.30 . 456 103 103 TYR CB C 39.197 0.30 . 457 103 103 TYR N N 114.713 0.30 . 458 104 104 GLY H H 8.056 0.03 . 459 104 104 GLY C C 174.63 0.30 . 460 104 104 GLY CA C 47.99 0.30 . 461 104 104 GLY N N 108.184 0.30 . 462 105 105 GLN H H 8.268 0.03 . 463 105 105 GLN C C 174.757 0.30 . 464 105 105 GLN CA C 54.888 0.30 . 465 105 105 GLN CB C 28.212 0.30 . 466 105 105 GLN N N 114.979 0.30 . 467 106 106 ASN H H 8.327 0.03 . 468 106 106 ASN C C 174.844 0.30 . 469 106 106 ASN CA C 53.665 0.30 . 470 106 106 ASN CB C 40.985 0.30 . 471 106 106 ASN N N 122.213 0.30 . 472 107 107 GLU H H 9.394 0.03 . 473 107 107 GLU C C 177.344 0.30 . 474 107 107 GLU CA C 59.923 0.30 . 475 107 107 GLU N N 130.008 0.30 . 476 108 108 SER H H 8.126 0.03 . 477 108 108 SER C C 174.305 0.30 . 478 108 108 SER CA C 63.556 0.30 . 479 108 108 SER N N 115.874 0.30 . 480 109 109 PHE H H 8.795 0.03 . 481 109 109 PHE C C 176.405 0.30 . 482 109 109 PHE CA C 61.315 0.30 . 483 109 109 PHE CB C 39.428 0.30 . 484 109 109 PHE N N 122.808 0.30 . 485 110 110 ALA H H 8 0.03 . 486 110 110 ALA C C 176.857 0.30 . 487 110 110 ALA CA C 55.826 0.30 . 488 110 110 ALA CB C 18.995 0.30 . 489 110 110 ALA N N 121.872 0.30 . 490 111 111 ARG H H 8.258 0.03 . 491 111 111 ARG C C 179.642 0.30 . 492 111 111 ARG CA C 59.653 0.30 . 493 111 111 ARG CB C 29.976 0.30 . 494 111 111 ARG N N 117.244 0.30 . 495 112 112 ILE H H 7.829 0.03 . 496 112 112 ILE C C 176.877 0.30 . 497 112 112 ILE CA C 66.076 0.30 . 498 112 112 ILE CB C 38.466 0.30 . 499 112 112 ILE N N 121.373 0.30 . 500 113 113 GLN H H 7.854 0.03 . 501 113 113 GLN C C 178.715 0.30 . 502 113 113 GLN CA C 60.169 0.30 . 503 113 113 GLN CB C 28.237 0.30 . 504 113 113 GLN N N 117.154 0.30 . 505 114 114 VAL H H 8.349 0.03 . 506 114 114 VAL C C 176.384 0.30 . 507 114 114 VAL CA C 66.044 0.30 . 508 114 114 VAL CB C 32.013 0.30 . 509 114 114 VAL N N 117.566 0.30 . 510 115 115 ARG H H 7.973 0.03 . 511 115 115 ARG C C 177.508 0.30 . 512 115 115 ARG CA C 57.102 0.30 . 513 115 115 ARG CB C 28.79 0.30 . 514 115 115 ARG N N 120.58 0.30 . 515 116 116 PHE H H 7.828 0.03 . 516 116 116 PHE C C 175.71 0.30 . 517 116 116 PHE CA C 60.263 0.30 . 518 116 116 PHE CB C 39.082 0.30 . 519 116 116 PHE N N 117.104 0.30 . 520 117 117 ALA H H 6.649 0.03 . 521 117 117 ALA C C 177.766 0.30 . 522 117 117 ALA CA C 55.064 0.30 . 523 117 117 ALA CB C 14.629 0.30 . 524 117 117 ALA N N 119.124 0.30 . 525 118 118 GLU H H 7.841 0.03 . 526 118 118 GLU C C 180.237 0.30 . 527 118 118 GLU CA C 59.217 0.30 . 528 118 118 GLU CB C 30.207 0.30 . 529 118 118 GLU N N 115.746 0.30 . 530 119 119 LEU H H 8.308 0.03 . 531 119 119 LEU C C 180.12 0.30 . 532 119 119 LEU CA C 57.329 0.30 . 533 119 119 LEU CB C 41.859 0.30 . 534 119 119 LEU N N 119.621 0.30 . 535 120 120 LYS H H 7.879 0.03 . 536 120 120 LYS C C 178.052 0.30 . 537 120 120 LYS CA C 57.424 0.30 . 538 120 120 LYS CB C 30.731 0.30 . 539 120 120 LYS N N 119.861 0.30 . 540 121 121 ALA H H 7.858 0.03 . 541 121 121 ALA C C 178.154 0.30 . 542 121 121 ALA CA C 54.399 0.30 . 543 121 121 ALA CB C 18.298 0.30 . 544 121 121 ALA N N 119.563 0.30 . 545 122 122 ILE H H 7.116 0.03 . 546 122 122 ILE C C 177.678 0.30 . 547 122 122 ILE CA C 64.359 0.30 . 548 122 122 ILE CB C 38.18 0.30 . 549 122 122 ILE N N 116.733 0.30 . 550 123 123 GLN H H 7.628 0.03 . 551 123 123 GLN C C 176.534 0.30 . 552 123 123 GLN CA C 58.06 0.30 . 553 123 123 GLN CB C 30.824 0.30 . 554 123 123 GLN N N 117.519 0.30 . 555 124 124 GLU H H 8.522 0.03 . 556 124 124 GLU C C 173.165 0.30 . 557 124 124 GLU CA C 53.743 0.30 . 558 124 124 GLU N N 116.707 0.30 . 559 125 125 PRO CA C 66.07 0.30 . 560 125 125 PRO CB C 32.011 0.30 . 561 126 126 ASP H H 8.703 0.03 . 562 126 126 ASP C C 177.926 0.30 . 563 126 126 ASP CA C 57.195 0.30 . 564 126 126 ASP CB C 40.417 0.30 . 565 126 126 ASP N N 115.379 0.30 . 566 127 127 ASP H H 7.729 0.03 . 567 127 127 ASP C C 176.851 0.30 . 568 127 127 ASP CA C 54.73 0.30 . 569 127 127 ASP CB C 42.102 0.30 . 570 127 127 ASP N N 118.685 0.30 . 571 128 128 ALA H H 7.572 0.03 . 572 128 128 ALA C C 178.793 0.30 . 573 128 128 ALA CA C 54.854 0.30 . 574 128 128 ALA CB C 19.234 0.30 . 575 128 128 ALA N N 120.216 0.30 . 576 129 129 ARG H H 8.21 0.03 . 577 129 129 ARG C C 177.534 0.30 . 578 129 129 ARG CA C 61.216 0.30 . 579 129 129 ARG CB C 30.027 0.30 . 580 129 129 ARG N N 117.287 0.30 . 581 130 130 ASP H H 7.807 0.03 . 582 130 130 ASP C C 178.678 0.30 . 583 130 130 ASP CA C 57.336 0.30 . 584 130 130 ASP CB C 39.909 0.30 . 585 130 130 ASP N N 117.026 0.30 . 586 131 131 TYR H H 7.228 0.03 . 587 131 131 TYR C C 179.272 0.30 . 588 131 131 TYR CA C 61.314 0.30 . 589 131 131 TYR CB C 36.674 0.30 . 590 131 131 TYR N N 118.411 0.30 . 591 132 132 PHE H H 7.694 0.03 . 592 132 132 PHE C C 177.96 0.30 . 593 132 132 PHE CA C 63.166 0.30 . 594 132 132 PHE CB C 37.09 0.30 . 595 132 132 PHE N N 121.928 0.30 . 596 133 133 GLN H H 7.854 0.03 . 597 133 133 GLN C C 178.928 0.30 . 598 133 133 GLN CA C 59.076 0.30 . 599 133 133 GLN CB C 27.392 0.30 . 600 133 133 GLN N N 118.209 0.30 . 601 134 134 MET H H 7.668 0.03 . 602 134 134 MET C C 177.174 0.30 . 603 134 134 MET CA C 58.885 0.30 . 604 134 134 MET CB C 33.144 0.30 . 605 134 134 MET N N 119.976 0.30 . 606 135 135 ALA H H 7.597 0.03 . 607 135 135 ALA C C 178.711 0.30 . 608 135 135 ALA CA C 55.068 0.30 . 609 135 135 ALA CB C 17.374 0.30 . 610 135 135 ALA N N 120.956 0.30 . 611 136 136 ARG H H 8.076 0.03 . 612 136 136 ARG C C 176.111 0.30 . 613 136 136 ARG CA C 59.444 0.30 . 614 136 136 ARG CB C 29.919 0.30 . 615 136 136 ARG N N 116.355 0.30 . 616 137 137 ALA H H 7.845 0.03 . 617 137 137 ALA C C 180.28 0.30 . 618 137 137 ALA CA C 54.599 0.30 . 619 137 137 ALA CB C 18.457 0.30 . 620 137 137 ALA N N 118.941 0.30 . 621 138 138 ASN H H 8.243 0.03 . 622 138 138 ASN C C 177.987 0.30 . 623 138 138 ASN CA C 54.98 0.30 . 624 138 138 ASN CB C 40.081 0.30 . 625 138 138 ASN N N 114.017 0.30 . 626 139 139 CYS H H 8.034 0.03 . 627 139 139 CYS C C 175.695 0.30 . 628 139 139 CYS CA C 57.127 0.30 . 629 139 139 CYS CB C 29.924 0.30 . 630 139 139 CYS N N 118.644 0.30 . 631 140 140 LYS H H 6.799 0.03 . 632 140 140 LYS C C 178.218 0.30 . 633 140 140 LYS CA C 59.098 0.30 . 634 140 140 LYS CB C 33.23 0.30 . 635 140 140 LYS N N 116.843 0.30 . 636 141 141 LYS H H 8.414 0.03 . 637 141 141 LYS C C 175.567 0.30 . 638 141 141 LYS CA C 57.959 0.30 . 639 141 141 LYS CB C 32.375 0.30 . 640 141 141 LYS N N 119.788 0.30 . 641 142 142 PHE H H 7.37 0.03 . 642 142 142 PHE C C 176.835 0.30 . 643 142 142 PHE CA C 58.449 0.30 . 644 142 142 PHE CB C 39.4 0.30 . 645 142 142 PHE N N 114.486 0.30 . 646 143 143 ALA H H 9.476 0.03 . 647 143 143 ALA C C 179.52 0.30 . 648 143 143 ALA CA C 56.848 0.30 . 649 143 143 ALA CB C 18.328 0.30 . 650 143 143 ALA N N 128.78 0.30 . 651 144 144 PHE H H 9.23 0.03 . 652 144 144 PHE C C 177.088 0.30 . 653 144 144 PHE CA C 60.785 0.30 . 654 144 144 PHE CB C 37.105 0.30 . 655 144 144 PHE N N 113.429 0.30 . 656 145 145 VAL H H 7.124 0.03 . 657 145 145 VAL C C 177.077 0.30 . 658 145 145 VAL CA C 65.275 0.30 . 659 145 145 VAL CB C 31.674 0.30 . 660 145 145 VAL N N 124.545 0.30 . 661 146 146 HIS H H 6.682 0.03 . 662 146 146 HIS C C 178.175 0.30 . 663 146 146 HIS CA C 59.427 0.30 . 664 146 146 HIS CB C 31.787 0.30 . 665 146 146 HIS N N 118.709 0.30 . 666 147 147 ILE H H 8.348 0.03 . 667 147 147 ILE C C 176.502 0.30 . 668 147 147 ILE CA C 65.327 0.30 . 669 147 147 ILE N N 117.589 0.30 . 670 148 148 SER H H 7.931 0.03 . 671 148 148 SER CA C 62.445 0.30 . 672 148 148 SER N N 115.791 0.30 . 673 149 149 PHE CA C 56.68 0.30 . 674 149 149 PHE CB C 37.648 0.30 . 675 150 150 ALA H H 8.697 0.03 . 676 150 150 ALA C C 180.396 0.30 . 677 150 150 ALA CA C 55.856 0.30 . 678 150 150 ALA CB C 18.108 0.30 . 679 150 150 ALA N N 122.634 0.30 . 680 151 151 GLN H H 9.426 0.03 . 681 151 151 GLN C C 177.145 0.30 . 682 151 151 GLN CA C 58.204 0.30 . 683 151 151 GLN CB C 28.929 0.30 . 684 151 151 GLN N N 123.459 0.30 . 685 152 152 PHE H H 7.981 0.03 . 686 152 152 PHE C C 178.702 0.30 . 687 152 152 PHE CA C 60.75 0.30 . 688 152 152 PHE CB C 38.162 0.30 . 689 152 152 PHE N N 122.876 0.30 . 690 153 153 GLU H H 8.126 0.03 . 691 153 153 GLU C C 179.439 0.30 . 692 153 153 GLU CA C 58.293 0.30 . 693 153 153 GLU CB C 28.098 0.30 . 694 153 153 GLU N N 118.355 0.30 . 695 154 154 LEU H H 8.164 0.03 . 696 154 154 LEU C C 181.212 0.30 . 697 154 154 LEU CA C 58.596 0.30 . 698 154 154 LEU CB C 42.106 0.30 . 699 154 154 LEU N N 122.452 0.30 . 700 155 155 SER H H 8.657 0.03 . 701 155 155 SER C C 175.28 0.30 . 702 155 155 SER CA C 61.609 0.30 . 703 155 155 SER CB C 63.042 0.30 . 704 155 155 SER N N 118.338 0.30 . 705 156 156 GLN H H 7.168 0.03 . 706 156 156 GLN C C 175.496 0.30 . 707 156 156 GLN CA C 54.962 0.30 . 708 156 156 GLN CB C 29.015 0.30 . 709 156 156 GLN N N 118.439 0.30 . 710 157 157 GLY H H 7.942 0.03 . 711 157 157 GLY C C 174.603 0.30 . 712 157 157 GLY CA C 44.87 0.30 . 713 157 157 GLY N N 106.904 0.30 . 714 158 158 ASN H H 8.21 0.03 . 715 158 158 ASN C C 175.083 0.30 . 716 158 158 ASN CA C 51.264 0.30 . 717 158 158 ASN CB C 36.902 0.30 . 718 158 158 ASN N N 122.397 0.30 . 719 159 159 VAL H H 7.521 0.03 . 720 159 159 VAL C C 177.59 0.30 . 721 159 159 VAL CA C 66.426 0.30 . 722 159 159 VAL CB C 31.753 0.30 . 723 159 159 VAL N N 121.583 0.30 . 724 160 160 LYS H H 8.301 0.03 . 725 160 160 LYS C C 179.394 0.30 . 726 160 160 LYS CA C 59.925 0.30 . 727 160 160 LYS CB C 31.607 0.30 . 728 160 160 LYS N N 120.167 0.30 . 729 161 161 LYS H H 7.594 0.03 . 730 161 161 LYS C C 178.065 0.30 . 731 161 161 LYS CA C 58.059 0.30 . 732 161 161 LYS N N 119.828 0.30 . 733 162 162 SER H H 7.81 0.03 . 734 162 162 SER N N 113.527 0.30 . 735 163 163 LYS H H 7.811 0.03 . 736 163 163 LYS C C 178.142 0.30 . 737 163 163 LYS CA C 60.393 0.30 . 738 163 163 LYS CB C 32.466 0.30 . 739 163 163 LYS N N 117.624 0.30 . 740 164 164 GLN H H 7.898 0.03 . 741 164 164 GLN C C 178.885 0.30 . 742 164 164 GLN CA C 59.138 0.30 . 743 164 164 GLN CB C 28.578 0.30 . 744 164 164 GLN N N 118.081 0.30 . 745 165 165 LEU H H 8.339 0.03 . 746 165 165 LEU C C 180.761 0.30 . 747 165 165 LEU CA C 58.175 0.30 . 748 165 165 LEU CB C 42.815 0.30 . 749 165 165 LEU N N 119.605 0.30 . 750 166 166 LEU H H 7.536 0.03 . 751 166 166 LEU C C 178.173 0.30 . 752 166 166 LEU CA C 57.677 0.30 . 753 166 166 LEU CB C 41.929 0.30 . 754 166 166 LEU N N 118.439 0.30 . 755 167 167 GLN H H 8.587 0.03 . 756 167 167 GLN C C 179.798 0.30 . 757 167 167 GLN CA C 59.403 0.30 . 758 167 167 GLN CB C 28.267 0.30 . 759 167 167 GLN N N 117.974 0.30 . 760 168 168 LYS H H 8.501 0.03 . 761 168 168 LYS C C 178.102 0.30 . 762 168 168 LYS CA C 57.918 0.30 . 763 168 168 LYS CB C 31.307 0.30 . 764 168 168 LYS N N 119.374 0.30 . 765 169 169 ALA H H 7.311 0.03 . 766 169 169 ALA C C 178.763 0.30 . 767 169 169 ALA CA C 55.192 0.30 . 768 169 169 ALA CB C 18.791 0.30 . 769 169 169 ALA N N 121.887 0.30 . 770 170 170 VAL H H 7.599 0.03 . 771 170 170 VAL C C 180.139 0.30 . 772 170 170 VAL CA C 66.493 0.30 . 773 170 170 VAL CB C 31.887 0.30 . 774 170 170 VAL N N 118.034 0.30 . 775 171 171 GLU H H 7.881 0.03 . 776 171 171 GLU C C 178.557 0.30 . 777 171 171 GLU CA C 59.18 0.30 . 778 171 171 GLU CB C 29.856 0.30 . 779 171 171 GLU N N 120.867 0.30 . 780 172 172 ARG H H 7.898 0.03 . 781 172 172 ARG C C 176.826 0.30 . 782 172 172 ARG CA C 55.411 0.30 . 783 172 172 ARG CB C 29.739 0.30 . 784 172 172 ARG N N 114.832 0.30 . 785 173 173 GLY H H 7.707 0.03 . 786 173 173 GLY C C 174.813 0.30 . 787 173 173 GLY CA C 46.588 0.30 . 788 173 173 GLY N N 108.72 0.30 . 789 174 174 ALA H H 7.57 0.03 . 790 174 174 ALA C C 175.997 0.30 . 791 174 174 ALA CA C 52.856 0.30 . 792 174 174 ALA CB C 18.27 0.30 . 793 174 174 ALA N N 122.331 0.30 . 794 175 175 VAL H H 8.349 0.03 . 795 175 175 VAL C C 175.651 0.30 . 796 175 175 VAL CA C 58.394 0.30 . 797 175 175 VAL N N 109.138 0.30 . 798 176 176 PRO CA C 62.731 0.30 . 799 176 176 PRO CB C 34.009 0.30 . 800 177 177 LEU H H 9.188 0.03 . 801 177 177 LEU C C 179.241 0.30 . 802 177 177 LEU CA C 58.225 0.30 . 803 177 177 LEU CB C 41.609 0.30 . 804 177 177 LEU N N 128.89 0.30 . 805 178 178 GLU H H 9.547 0.03 . 806 178 178 GLU C C 178.712 0.30 . 807 178 178 GLU CA C 59.965 0.30 . 808 178 178 GLU CB C 29.512 0.30 . 809 178 178 GLU N N 117.291 0.30 . 810 179 179 MET H H 7.082 0.03 . 811 179 179 MET C C 177.51 0.30 . 812 179 179 MET CA C 59.185 0.30 . 813 179 179 MET CB C 34.505 0.30 . 814 179 179 MET N N 114.37 0.30 . 815 180 180 LEU H H 6.915 0.03 . 816 180 180 LEU C C 178.117 0.30 . 817 180 180 LEU CA C 57.663 0.30 . 818 180 180 LEU CB C 41.507 0.30 . 819 180 180 LEU N N 117.261 0.30 . 820 181 181 GLU H H 8.046 0.03 . 821 181 181 GLU C C 180.069 0.30 . 822 181 181 GLU CA C 59.926 0.30 . 823 181 181 GLU CB C 29.398 0.30 . 824 181 181 GLU N N 117.705 0.30 . 825 182 182 ILE H H 7.79 0.03 . 826 182 182 ILE C C 177.021 0.30 . 827 182 182 ILE CA C 65.217 0.30 . 828 182 182 ILE CB C 38.338 0.30 . 829 182 182 ILE N N 120.932 0.30 . 830 183 183 ALA H H 7.607 0.03 . 831 183 183 ALA C C 179.33 0.30 . 832 183 183 ALA CA C 54.765 0.30 . 833 183 183 ALA CB C 19.438 0.30 . 834 183 183 ALA N N 121.436 0.30 . 835 184 184 LEU H H 8.424 0.03 . 836 184 184 LEU C C 179.161 0.30 . 837 184 184 LEU CA C 58.202 0.30 . 838 184 184 LEU CB C 42.256 0.30 . 839 184 184 LEU N N 117.588 0.30 . 840 185 185 ARG H H 7.897 0.03 . 841 185 185 ARG C C 178.956 0.30 . 842 185 185 ARG CA C 59.609 0.30 . 843 185 185 ARG CB C 29.598 0.30 . 844 185 185 ARG N N 121.246 0.30 . 845 186 186 ASN H H 8.544 0.03 . 846 186 186 ASN C C 177.954 0.30 . 847 186 186 ASN CA C 55.732 0.30 . 848 186 186 ASN CB C 37.096 0.30 . 849 186 186 ASN N N 118.909 0.30 . 850 187 187 LEU H H 8.518 0.03 . 851 187 187 LEU C C 181.466 0.30 . 852 187 187 LEU CA C 58.52 0.30 . 853 187 187 LEU CB C 41.13 0.30 . 854 187 187 LEU N N 123.06 0.30 . 855 188 188 ASN H H 8.099 0.03 . 856 188 188 ASN C C 176.965 0.30 . 857 188 188 ASN CA C 56.052 0.30 . 858 188 188 ASN CB C 38.468 0.30 . 859 188 188 ASN N N 119.974 0.30 . 860 189 189 LEU H H 7.765 0.03 . 861 189 189 LEU C C 175.868 0.30 . 862 189 189 LEU CA C 55.101 0.30 . 863 189 189 LEU CB C 42.441 0.30 . 864 189 189 LEU N N 119.623 0.30 . 865 190 190 GLN H H 7.982 0.03 . 866 190 190 GLN C C 175.968 0.30 . 867 190 190 GLN CA C 56.902 0.30 . 868 190 190 GLN CB C 25.438 0.30 . 869 190 190 GLN N N 113.257 0.30 . 870 191 191 LYS H H 7.551 0.03 . 871 191 191 LYS C C 176.656 0.30 . 872 191 191 LYS CA C 56.194 0.30 . 873 191 191 LYS CB C 33.197 0.30 . 874 191 191 LYS N N 117.152 0.30 . 875 192 192 LYS H H 8.203 0.03 . 876 192 192 LYS C C 176.289 0.30 . 877 192 192 LYS CA C 56.673 0.30 . 878 192 192 LYS CB C 32.44 0.30 . 879 192 192 LYS N N 116.95 0.30 . 880 193 193 GLN H H 7.141 0.03 . 881 193 193 GLN C C 175.346 0.30 . 882 193 193 GLN CA C 53.749 0.30 . 883 193 193 GLN CB C 30.383 0.30 . 884 193 193 GLN N N 116.749 0.30 . 885 194 194 LEU H H 8.796 0.03 . 886 194 194 LEU C C 176.321 0.30 . 887 194 194 LEU CA C 57.271 0.30 . 888 194 194 LEU CB C 41.818 0.30 . 889 194 194 LEU N N 123.46 0.30 . 890 195 195 LEU H H 7.761 0.03 . 891 195 195 LEU C C 175.821 0.30 . 892 195 195 LEU CA C 53.641 0.30 . 893 195 195 LEU CB C 45.821 0.30 . 894 195 195 LEU N N 116.187 0.30 . 895 196 196 SER H H 9.6 0.03 . 896 196 196 SER C C 174.845 0.30 . 897 196 196 SER CA C 57.002 0.30 . 898 196 196 SER CB C 65.496 0.30 . 899 196 196 SER N N 122.174 0.30 . 900 197 197 GLU H H 8.881 0.03 . 901 197 197 GLU C C 179.116 0.30 . 902 197 197 GLU CA C 59.678 0.30 . 903 197 197 GLU N N 120.624 0.30 . 904 198 198 GLU H H 8.411 0.03 . 905 198 198 GLU C C 178.726 0.30 . 906 198 198 GLU CA C 59.604 0.30 . 907 198 198 GLU CB C 29.373 0.30 . 908 198 198 GLU N N 119.076 0.30 . 909 199 199 GLU H H 7.74 0.03 . 910 199 199 GLU C C 179.002 0.30 . 911 199 199 GLU CA C 58.918 0.30 . 912 199 199 GLU CB C 29.826 0.30 . 913 199 199 GLU N N 119.906 0.30 . 914 200 200 LYS H H 8.125 0.03 . 915 200 200 LYS C C 178.68 0.30 . 916 200 200 LYS CA C 59.76 0.30 . 917 200 200 LYS CB C 32.619 0.30 . 918 200 200 LYS N N 117.756 0.30 . 919 201 201 LYS H H 7.752 0.03 . 920 201 201 LYS C C 178.295 0.30 . 921 201 201 LYS CA C 58.712 0.30 . 922 201 201 LYS CB C 32.358 0.30 . 923 201 201 LYS N N 119.149 0.30 . 924 202 202 ASN H H 7.943 0.03 . 925 202 202 ASN C C 176.577 0.30 . 926 202 202 ASN CA C 54.608 0.30 . 927 202 202 ASN CB C 38.518 0.30 . 928 202 202 ASN N N 117.314 0.30 . 929 203 203 LEU H H 7.808 0.03 . 930 203 203 LEU C C 177.674 0.30 . 931 203 203 LEU CA C 55.998 0.30 . 932 203 203 LEU CB C 42.26 0.30 . 933 203 203 LEU N N 120.183 0.30 . 934 204 204 SER H H 7.961 0.03 . 935 204 204 SER C C 174.521 0.30 . 936 204 204 SER CA C 59.182 0.30 . 937 204 204 SER CB C 63.672 0.30 . 938 204 204 SER N N 115.108 0.30 . 939 205 205 ALA H H 8.07 0.03 . 940 205 205 ALA C C 177.904 0.30 . 941 205 205 ALA CA C 52.91 0.30 . 942 205 205 ALA CB C 19.152 0.30 . 943 205 205 ALA N N 124.803 0.30 . 944 206 206 SER H H 8.141 0.03 . 945 206 206 SER C C 174.996 0.30 . 946 206 206 SER CA C 58.775 0.30 . 947 206 206 SER CB C 63.773 0.30 . 948 206 206 SER N N 114.124 0.30 . 949 207 207 THR H H 8.084 0.03 . 950 207 207 THR C C 174.507 0.30 . 951 207 207 THR CA C 62.34 0.30 . 952 207 207 THR CB C 69.646 0.30 . 953 207 207 THR N N 116.266 0.30 . 954 208 208 VAL H H 8.021 0.03 . 955 208 208 VAL C C 176.131 0.30 . 956 208 208 VAL CA C 62.686 0.30 . 957 208 208 VAL CB C 32.528 0.30 . 958 208 208 VAL N N 122.314 0.30 . 959 209 209 LEU H H 8.252 0.03 . 960 209 209 LEU C C 177.55 0.30 . 961 209 209 LEU CA C 55.306 0.30 . 962 209 209 LEU CB C 42.283 0.30 . 963 209 209 LEU N N 125.315 0.30 . 964 210 210 THR H H 8.031 0.03 . 965 210 210 THR C C 174.461 0.30 . 966 210 210 THR CA C 61.864 0.30 . 967 210 210 THR CB C 69.92 0.30 . 968 210 210 THR N N 114.407 0.30 . 969 211 211 ALA H H 8.262 0.03 . 970 211 211 ALA C C 177.795 0.30 . 971 211 211 ALA CA C 52.803 0.30 . 972 211 211 ALA CB C 19.086 0.30 . 973 211 211 ALA N N 125.916 0.30 . 974 212 212 GLN H H 8.26 0.03 . 975 212 212 GLN C C 176.291 0.30 . 976 212 212 GLN CA C 56.234 0.30 . 977 212 212 GLN CB C 29.396 0.30 . 978 212 212 GLN N N 119.208 0.30 . 979 213 213 GLU H H 8.344 0.03 . 980 213 213 GLU C C 176.547 0.30 . 981 213 213 GLU CA C 56.906 0.30 . 982 213 213 GLU CB C 30.306 0.30 . 983 213 213 GLU N N 121.697 0.30 . 984 214 214 SER H H 8.197 0.03 . 985 214 214 SER C C 174.282 0.30 . 986 214 214 SER CA C 58.45 0.30 . 987 214 214 SER N N 116.162 0.30 . 988 218 218 SER CA C 58.523 0.30 . 989 218 218 SER CB C 63.799 0.30 . 990 219 219 LEU H H 8.246 0.03 . 991 219 219 LEU C C 178.088 0.30 . 992 219 219 LEU CA C 55.425 0.30 . 993 219 219 LEU CB C 42.096 0.30 . 994 219 219 LEU N N 123.27 0.30 . 995 220 220 GLY H H 8.282 0.03 . 996 220 220 GLY C C 174.29 0.30 . 997 220 220 GLY CA C 45.792 0.30 . 998 220 220 GLY N N 108.774 0.30 . 999 221 221 HIS CA C 56.778 0.30 . 1000 221 221 HIS CB C 30.691 0.30 . 1001 222 222 LEU H H 7.938 0.03 . 1002 222 222 LEU C C 177.356 0.30 . 1003 222 222 LEU CA C 55.367 0.30 . 1004 222 222 LEU CB C 41.993 0.30 . 1005 222 222 LEU N N 122.268 0.30 . 1006 223 223 GLN H H 8.173 0.03 . 1007 223 223 GLN C C 175.699 0.30 . 1008 223 223 GLN CA C 56.044 0.30 . 1009 223 223 GLN N N 119.801 0.30 . 1010 229 229 CYS CA C 63.056 0.30 . 1011 229 229 CYS CB C 31.619 0.30 . 1012 230 230 ASP H H 8.373 0.03 . 1013 230 230 ASP C C 176.265 0.30 . 1014 230 230 ASP CA C 55.27 0.30 . 1015 230 230 ASP CB C 41.772 0.30 . 1016 230 230 ASP N N 122.78 0.30 . 1017 231 231 SER H H 7.331 0.03 . 1018 231 231 SER C C 174.118 0.30 . 1019 231 231 SER CA C 56.294 0.30 . 1020 231 231 SER N N 116.93 0.30 . 1021 236 236 THR H H 7.795 0.03 . 1022 236 236 THR C C 179.162 0.30 . 1023 236 236 THR N N 121.463 0.30 . 1024 237 237 LYS H H 8.241 0.03 . 1025 237 237 LYS C C 175.952 0.30 . 1026 237 237 LYS CA C 56.127 0.30 . 1027 237 237 LYS CB C 33.178 0.30 . 1028 237 237 LYS N N 124.127 0.30 . 1029 238 238 ALA H H 8.292 0.03 . 1030 238 238 ALA C C 176.679 0.30 . 1031 238 238 ALA CA C 52.613 0.30 . 1032 238 238 ALA CB C 19.253 0.30 . 1033 238 238 ALA N N 126.384 0.30 . 1034 239 239 ARG H H 7.843 0.03 . 1035 239 239 ARG C C 180.944 0.30 . 1036 239 239 ARG CA C 57.418 0.30 . 1037 239 239 ARG N N 125.271 0.30 . stop_ save_