data_27642 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Mps1 TPR domain ; _BMRB_accession_number 27642 _BMRB_flat_file_name bmr27642.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" 159 "13C chemical shifts" 487 "15N chemical shifts" 159 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 27641 'Mps1 1-239' 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 . loop_ _Keyword MPS1 NMR TPR TTK stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mps1 62-239' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mps1 62-239' $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 178 _Mol_residue_sequence ; PEDWLSLLLKLEKNSVPLSD ALLNKLIGRYSQAIEALPPD KYGQNESFARIQVRFAELKA IQEPDDARDYFQMARANCKK FAFVHISFAQFELSQGNVKK SKQLLQKAVERGAVPLEMLE IALRNLNLQKKQLLSEEEKK NLSASTVLTAQESFSGSLGH LQNRNNSCDSRGQTTKAR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 62 PRO 2 63 GLU 3 64 ASP 4 65 TRP 5 66 LEU 6 67 SER 7 68 LEU 8 69 LEU 9 70 LEU 10 71 LYS 11 72 LEU 12 73 GLU 13 74 LYS 14 75 ASN 15 76 SER 16 77 VAL 17 78 PRO 18 79 LEU 19 80 SER 20 81 ASP 21 82 ALA 22 83 LEU 23 84 LEU 24 85 ASN 25 86 LYS 26 87 LEU 27 88 ILE 28 89 GLY 29 90 ARG 30 91 TYR 31 92 SER 32 93 GLN 33 94 ALA 34 95 ILE 35 96 GLU 36 97 ALA 37 98 LEU 38 99 PRO 39 100 PRO 40 101 ASP 41 102 LYS 42 103 TYR 43 104 GLY 44 105 GLN 45 106 ASN 46 107 GLU 47 108 SER 48 109 PHE 49 110 ALA 50 111 ARG 51 112 ILE 52 113 GLN 53 114 VAL 54 115 ARG 55 116 PHE 56 117 ALA 57 118 GLU 58 119 LEU 59 120 LYS 60 121 ALA 61 122 ILE 62 123 GLN 63 124 GLU 64 125 PRO 65 126 ASP 66 127 ASP 67 128 ALA 68 129 ARG 69 130 ASP 70 131 TYR 71 132 PHE 72 133 GLN 73 134 MET 74 135 ALA 75 136 ARG 76 137 ALA 77 138 ASN 78 139 CYS 79 140 LYS 80 141 LYS 81 142 PHE 82 143 ALA 83 144 PHE 84 145 VAL 85 146 HIS 86 147 ILE 87 148 SER 88 149 PHE 89 150 ALA 90 151 GLN 91 152 PHE 92 153 GLU 93 154 LEU 94 155 SER 95 156 GLN 96 157 GLY 97 158 ASN 98 159 VAL 99 160 LYS 100 161 LYS 101 162 SER 102 163 LYS 103 164 GLN 104 165 LEU 105 166 LEU 106 167 GLN 107 168 LYS 108 169 ALA 109 170 VAL 110 171 GLU 111 172 ARG 112 173 GLY 113 174 ALA 114 175 VAL 115 176 PRO 116 177 LEU 117 178 GLU 118 179 MET 119 180 LEU 120 181 GLU 121 182 ILE 122 183 ALA 123 184 LEU 124 185 ARG 125 186 ASN 126 187 LEU 127 188 ASN 128 189 LEU 129 190 GLN 130 191 LYS 131 192 LYS 132 193 GLN 133 194 LEU 134 195 LEU 135 196 SER 136 197 GLU 137 198 GLU 138 199 GLU 139 200 LYS 140 201 LYS 141 202 ASN 142 203 LEU 143 204 SER 144 205 ALA 145 206 SER 146 207 THR 147 208 VAL 148 209 LEU 149 210 THR 150 211 ALA 151 212 GLN 152 213 GLU 153 214 SER 154 215 PHE 155 216 SER 156 217 GLY 157 218 SER 158 219 LEU 159 220 GLY 160 221 HIS 161 222 LEU 162 223 GLN 163 224 ASN 164 225 ARG 165 226 ASN 166 227 ASN 167 228 SER 168 229 CYS 169 230 ASP 170 231 SER 171 232 ARG 172 233 GLY 173 234 GLN 174 235 THR 175 236 THR 176 237 LYS 177 238 ALA 178 239 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P33981 TTK/MPS1 . . . . . stop_ 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 'BL21 DE3' 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 600 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_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' 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 62-239' _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 62 1 PRO CA C 65.777 0.30 . 2 62 1 PRO CB C 31.878 0.30 . 3 63 2 GLU H H 9.274 0.03 . 4 63 2 GLU C C 179.136 0.30 . 5 63 2 GLU CA C 61.355 0.30 . 6 63 2 GLU CB C 27.806 0.30 . 7 63 2 GLU N N 117.668 0.30 . 8 64 3 ASP H H 7.611 0.03 . 9 64 3 ASP C C 179.6 0.30 . 10 64 3 ASP CA C 56.962 0.30 . 11 64 3 ASP CB C 41.116 0.30 . 12 64 3 ASP N N 119.919 0.30 . 13 65 4 TRP H H 8.095 0.03 . 14 65 4 TRP HE1 H 9.943 0.03 . 15 65 4 TRP C C 177.822 0.30 . 16 65 4 TRP CA C 61.182 0.30 . 17 65 4 TRP CB C 29.754 0.30 . 18 65 4 TRP N N 119.986 0.30 . 19 65 4 TRP NE1 N 128.026 0.30 . 20 66 5 LEU H H 8.784 0.03 . 21 66 5 LEU C C 177.682 0.30 . 22 66 5 LEU CA C 58.522 0.30 . 23 66 5 LEU CB C 41.21 0.30 . 24 66 5 LEU N N 119.1 0.30 . 25 67 6 SER H H 7.643 0.03 . 26 67 6 SER C C 177.288 0.30 . 27 67 6 SER CA C 61.825 0.30 . 28 67 6 SER CB C 62.846 0.30 . 29 67 6 SER N N 111.41 0.30 . 30 68 7 LEU H H 7.335 0.03 . 31 68 7 LEU C C 179.563 0.30 . 32 68 7 LEU CA C 58.538 0.30 . 33 68 7 LEU CB C 41.977 0.30 . 34 68 7 LEU N N 121.548 0.30 . 35 69 8 LEU H H 8.609 0.03 . 36 69 8 LEU C C 180.495 0.30 . 37 69 8 LEU CA C 58.045 0.30 . 38 69 8 LEU CB C 40.271 0.30 . 39 69 8 LEU N N 122.662 0.30 . 40 70 9 LEU H H 8.94 0.03 . 41 70 9 LEU C C 180.449 0.30 . 42 70 9 LEU CA C 58.144 0.30 . 43 70 9 LEU CB C 41.385 0.30 . 44 70 9 LEU N N 121.501 0.30 . 45 71 10 LYS H H 7.485 0.03 . 46 71 10 LYS C C 178.741 0.30 . 47 71 10 LYS CA C 59.733 0.30 . 48 71 10 LYS CB C 32.058 0.30 . 49 71 10 LYS N N 120.65 0.30 . 50 72 11 LEU H H 7.923 0.03 . 51 72 11 LEU C C 180.71 0.30 . 52 72 11 LEU CA C 57.671 0.30 . 53 72 11 LEU CB C 41.448 0.30 . 54 72 11 LEU N N 119.649 0.30 . 55 73 12 GLU H H 8.37 0.03 . 56 73 12 GLU C C 178.907 0.30 . 57 73 12 GLU CA C 60.82 0.30 . 58 73 12 GLU CB C 29.221 0.30 . 59 73 12 GLU N N 120.875 0.30 . 60 74 13 LYS H H 7.865 0.03 . 61 74 13 LYS C C 177.493 0.30 . 62 74 13 LYS CA C 58.823 0.30 . 63 74 13 LYS CB C 32.027 0.30 . 64 74 13 LYS N N 119.443 0.30 . 65 75 14 ASN H H 7.518 0.03 . 66 75 14 ASN C C 175.87 0.30 . 67 75 14 ASN CA C 53.562 0.30 . 68 75 14 ASN CB C 39.344 0.30 . 69 75 14 ASN N N 114.231 0.30 . 70 76 15 SER H H 7.56 0.03 . 71 76 15 SER C C 171.31 0.30 . 72 76 15 SER CA C 57.52 0.30 . 73 76 15 SER CB C 63.46 0.30 . 74 76 15 SER N N 117.551 0.30 . 75 77 16 VAL H H 7.096 0.03 . 76 77 16 VAL C C 174.844 0.30 . 77 77 16 VAL CA C 58.414 0.30 . 78 77 16 VAL CB C 34.481 0.30 . 79 77 16 VAL N N 117.056 0.30 . 80 78 17 PRO CA C 62.68 0.30 . 81 78 17 PRO CB C 34.027 0.30 . 82 79 18 LEU H H 8.715 0.03 . 83 79 18 LEU C C 175.633 0.30 . 84 79 18 LEU CA C 55.299 0.30 . 85 79 18 LEU CB C 41.282 0.30 . 86 79 18 LEU N N 124.25 0.30 . 87 80 19 SER H H 7.26 0.03 . 88 80 19 SER C C 174.076 0.30 . 89 80 19 SER CA C 56.177 0.30 . 90 80 19 SER CB C 66.056 0.30 . 91 80 19 SER N N 118.544 0.30 . 92 81 20 ASP CA C 57.945 0.30 . 93 81 20 ASP CB C 40.36 0.30 . 94 82 21 ALA H H 8.428 0.03 . 95 82 21 ALA C C 181.117 0.30 . 96 82 21 ALA CA C 55.242 0.30 . 97 82 21 ALA CB C 18.437 0.30 . 98 82 21 ALA N N 121.778 0.30 . 99 83 22 LEU H H 7.778 0.03 . 100 83 22 LEU C C 179.761 0.30 . 101 83 22 LEU CA C 57.541 0.30 . 102 83 22 LEU CB C 42.214 0.30 . 103 83 22 LEU N N 119.034 0.30 . 104 84 23 LEU H H 8.554 0.03 . 105 84 23 LEU C C 177.899 0.30 . 106 84 23 LEU CA C 58.204 0.30 . 107 84 23 LEU CB C 41.187 0.30 . 108 84 23 LEU N N 122.928 0.30 . 109 85 24 ASN H H 8.077 0.03 . 110 85 24 ASN C C 178.81 0.30 . 111 85 24 ASN CA C 56.791 0.30 . 112 85 24 ASN CB C 38.142 0.30 . 113 85 24 ASN N N 116.897 0.30 . 114 86 25 LYS H H 7.84 0.03 . 115 86 25 LYS C C 179.064 0.30 . 116 86 25 LYS CA C 59.308 0.30 . 117 86 25 LYS CB C 32.469 0.30 . 118 86 25 LYS N N 120.908 0.30 . 119 87 26 LEU H H 8.234 0.03 . 120 87 26 LEU C C 179.11 0.30 . 121 87 26 LEU CA C 58.458 0.30 . 122 87 26 LEU CB C 42.667 0.30 . 123 87 26 LEU N N 122.49 0.30 . 124 88 27 ILE H H 8.739 0.03 . 125 88 27 ILE C C 178.444 0.30 . 126 88 27 ILE CA C 66.355 0.30 . 127 88 27 ILE CB C 37.662 0.30 . 128 88 27 ILE N N 119.977 0.30 . 129 89 28 GLY H H 8.079 0.03 . 130 89 28 GLY C C 176.485 0.30 . 131 89 28 GLY CA C 47.279 0.30 . 132 89 28 GLY N N 107.438 0.30 . 133 90 29 ARG H H 7.881 0.03 . 134 90 29 ARG C C 179.158 0.30 . 135 90 29 ARG CA C 57.519 0.30 . 136 90 29 ARG CB C 28.829 0.30 . 137 90 29 ARG N N 122.904 0.30 . 138 91 30 TYR H H 8.605 0.03 . 139 91 30 TYR C C 178.271 0.30 . 140 91 30 TYR CA C 63.462 0.30 . 141 91 30 TYR CB C 40.101 0.30 . 142 91 30 TYR N N 119.257 0.30 . 143 92 31 SER H H 8.499 0.03 . 144 92 31 SER C C 176.445 0.30 . 145 92 31 SER CA C 61.959 0.30 . 146 92 31 SER CB C 62.587 0.30 . 147 92 31 SER N N 113.107 0.30 . 148 93 32 GLN H H 7.295 0.03 . 149 93 32 GLN C C 177.981 0.30 . 150 93 32 GLN CA C 58.738 0.30 . 151 93 32 GLN CB C 28.42 0.30 . 152 93 32 GLN N N 120.525 0.30 . 153 94 33 ALA H H 6.993 0.03 . 154 94 33 ALA C C 178.019 0.30 . 155 94 33 ALA CA C 54.34 0.30 . 156 94 33 ALA CB C 18.077 0.30 . 157 94 33 ALA N N 123.614 0.30 . 158 95 34 ILE H H 7.592 0.03 . 159 95 34 ILE C C 179.371 0.30 . 160 95 34 ILE CA C 63.602 0.30 . 161 95 34 ILE CB C 36.786 0.30 . 162 95 34 ILE N N 115.387 0.30 . 163 96 35 GLU H H 7.599 0.03 . 164 96 35 GLU C C 177.227 0.30 . 165 96 35 GLU CA C 58.421 0.30 . 166 96 35 GLU CB C 29.497 0.30 . 167 96 35 GLU N N 118.77 0.30 . 168 97 36 ALA H H 7.114 0.03 . 169 97 36 ALA C C 177.468 0.30 . 170 97 36 ALA CA C 52.84 0.30 . 171 97 36 ALA CB C 20.004 0.30 . 172 97 36 ALA N N 119.243 0.30 . 173 98 37 LEU H H 6.981 0.03 . 174 98 37 LEU C C 171.615 0.30 . 175 98 37 LEU CA C 51.067 0.30 . 176 98 37 LEU CB C 43.906 0.30 . 177 98 37 LEU N N 120.313 0.30 . 178 100 39 PRO CA C 64.833 0.30 . 179 100 39 PRO CB C 31.796 0.30 . 180 101 40 ASP H H 8.582 0.03 . 181 101 40 ASP C C 177.362 0.30 . 182 101 40 ASP CA C 55.898 0.30 . 183 101 40 ASP CB C 39.399 0.30 . 184 101 40 ASP N N 115.868 0.30 . 185 102 41 LYS H H 7.103 0.03 . 186 102 41 LYS C C 178.329 0.30 . 187 102 41 LYS CA C 56.752 0.30 . 188 102 41 LYS CB C 33.606 0.30 . 189 102 41 LYS N N 117.347 0.30 . 190 103 42 TYR H H 6.91 0.03 . 191 103 42 TYR C C 175.49 0.30 . 192 103 42 TYR CA C 58.236 0.30 . 193 103 42 TYR CB C 39.18 0.30 . 194 103 42 TYR N N 114.563 0.30 . 195 104 43 GLY H H 8.017 0.03 . 196 104 43 GLY C C 174.519 0.30 . 197 104 43 GLY CA C 47.982 0.30 . 198 104 43 GLY N N 107.994 0.30 . 199 105 44 GLN H H 8.255 0.03 . 200 105 44 GLN C C 174.775 0.30 . 201 105 44 GLN CA C 54.928 0.30 . 202 105 44 GLN CB C 28.171 0.30 . 203 105 44 GLN N N 114.982 0.30 . 204 106 45 ASN H H 8.379 0.03 . 205 106 45 ASN C C 174.958 0.30 . 206 106 45 ASN CA C 53.656 0.30 . 207 106 45 ASN CB C 40.969 0.30 . 208 106 45 ASN N N 122.214 0.30 . 209 107 46 GLU H H 9.413 0.03 . 210 107 46 GLU C C 177.824 0.30 . 211 107 46 GLU CA C 59.826 0.30 . 212 107 46 GLU CB C 30.171 0.30 . 213 107 46 GLU N N 130.008 0.30 . 214 108 47 SER H H 8.116 0.03 . 215 108 47 SER C C 175.611 0.30 . 216 108 47 SER CA C 63.462 0.30 . 217 108 47 SER CB C 61.502 0.30 . 218 108 47 SER N N 115.945 0.30 . 219 109 48 PHE H H 8.654 0.03 . 220 109 48 PHE C C 176.365 0.30 . 221 109 48 PHE CA C 61.352 0.30 . 222 109 48 PHE CB C 39.431 0.30 . 223 109 48 PHE N N 122.687 0.30 . 224 110 49 ALA H H 7.999 0.03 . 225 110 49 ALA C C 179.39 0.30 . 226 110 49 ALA CA C 55.807 0.30 . 227 110 49 ALA CB C 18.988 0.30 . 228 110 49 ALA N N 121.951 0.30 . 229 111 50 ARG H H 8.26 0.03 . 230 111 50 ARG C C 179.599 0.30 . 231 111 50 ARG CA C 59.595 0.30 . 232 111 50 ARG CB C 29.968 0.30 . 233 111 50 ARG N N 117.246 0.30 . 234 112 51 ILE H H 7.799 0.03 . 235 112 51 ILE C C 176.861 0.30 . 236 112 51 ILE CA C 66.077 0.30 . 237 112 51 ILE CB C 38.252 0.30 . 238 112 51 ILE N N 121.387 0.30 . 239 113 52 GLN H H 7.855 0.03 . 240 113 52 GLN C C 178.704 0.30 . 241 113 52 GLN CA C 60.113 0.30 . 242 113 52 GLN CB C 28.231 0.30 . 243 113 52 GLN N N 117.163 0.30 . 244 114 53 VAL H H 8.347 0.03 . 245 114 53 VAL C C 176.365 0.30 . 246 114 53 VAL CA C 66.023 0.30 . 247 114 53 VAL CB C 31.978 0.30 . 248 114 53 VAL N N 117.608 0.30 . 249 115 54 ARG H H 7.972 0.03 . 250 115 54 ARG C C 177.607 0.30 . 251 115 54 ARG CA C 57.094 0.30 . 252 115 54 ARG CB C 28.78 0.30 . 253 115 54 ARG N N 120.601 0.30 . 254 116 55 PHE H H 7.841 0.03 . 255 116 55 PHE C C 175.714 0.30 . 256 116 55 PHE CA C 60.253 0.30 . 257 116 55 PHE CB C 39.195 0.30 . 258 116 55 PHE N N 117.12 0.30 . 259 117 56 ALA H H 6.652 0.03 . 260 117 56 ALA C C 177.721 0.30 . 261 117 56 ALA CA C 55.064 0.30 . 262 117 56 ALA CB C 14.709 0.30 . 263 117 56 ALA N N 119.104 0.30 . 264 118 57 GLU H H 7.827 0.03 . 265 118 57 GLU C C 180.222 0.30 . 266 118 57 GLU CA C 59.214 0.30 . 267 118 57 GLU CB C 30.233 0.30 . 268 118 57 GLU N N 115.706 0.30 . 269 119 58 LEU H H 8.296 0.03 . 270 119 58 LEU C C 180.115 0.30 . 271 119 58 LEU CA C 57.332 0.30 . 272 119 58 LEU CB C 41.792 0.30 . 273 119 58 LEU N N 119.636 0.30 . 274 120 59 LYS H H 7.886 0.03 . 275 120 59 LYS C C 178.062 0.30 . 276 120 59 LYS CA C 57.503 0.30 . 277 120 59 LYS CB C 30.661 0.30 . 278 120 59 LYS N N 119.863 0.30 . 279 121 60 ALA H H 7.841 0.03 . 280 121 60 ALA C C 178.182 0.30 . 281 121 60 ALA CA C 54.405 0.30 . 282 121 60 ALA CB C 18.26 0.30 . 283 121 60 ALA N N 119.499 0.30 . 284 122 61 ILE H H 7.113 0.03 . 285 122 61 ILE C C 177.68 0.30 . 286 122 61 ILE CA C 64.368 0.30 . 287 122 61 ILE CB C 38.171 0.30 . 288 122 61 ILE N N 116.723 0.30 . 289 123 62 GLN H H 7.617 0.03 . 290 123 62 GLN C C 176.518 0.30 . 291 123 62 GLN CA C 58.064 0.30 . 292 123 62 GLN CB C 30.822 0.30 . 293 123 62 GLN N N 117.542 0.30 . 294 124 63 GLU H H 8.508 0.03 . 295 124 63 GLU C C 173.176 0.30 . 296 124 63 GLU CA C 53.724 0.30 . 297 124 63 GLU CB C 30.681 0.30 . 298 124 63 GLU N N 116.7 0.30 . 299 125 64 PRO CA C 66.044 0.30 . 300 125 64 PRO CB C 31.951 0.30 . 301 126 65 ASP H H 8.709 0.03 . 302 126 65 ASP C C 177.913 0.30 . 303 126 65 ASP CA C 57.197 0.30 . 304 126 65 ASP CB C 40.405 0.30 . 305 126 65 ASP N N 115.434 0.30 . 306 127 66 ASP H H 7.719 0.03 . 307 127 66 ASP C C 176.845 0.30 . 308 127 66 ASP CA C 54.79 0.30 . 309 127 66 ASP CB C 42.121 0.30 . 310 127 66 ASP N N 118.705 0.30 . 311 128 67 ALA H H 7.579 0.03 . 312 128 67 ALA C C 178.796 0.30 . 313 128 67 ALA CA C 54.854 0.30 . 314 128 67 ALA CB C 19.203 0.30 . 315 128 67 ALA N N 120.268 0.30 . 316 129 68 ARG H H 8.214 0.03 . 317 129 68 ARG C C 177.525 0.30 . 318 129 68 ARG CA C 61.297 0.30 . 319 129 68 ARG CB C 29.838 0.30 . 320 129 68 ARG N N 117.265 0.30 . 321 130 69 ASP H H 7.807 0.03 . 322 130 69 ASP C C 178.686 0.30 . 323 130 69 ASP CA C 57.384 0.30 . 324 130 69 ASP CB C 39.739 0.30 . 325 130 69 ASP N N 117.054 0.30 . 326 131 70 TYR H H 7.255 0.03 . 327 131 70 TYR C C 179.277 0.30 . 328 131 70 TYR CA C 61.462 0.30 . 329 131 70 TYR CB C 36.751 0.30 . 330 131 70 TYR N N 118.378 0.30 . 331 132 71 PHE H H 7.726 0.03 . 332 132 71 PHE C C 177.922 0.30 . 333 132 71 PHE CA C 63.195 0.30 . 334 132 71 PHE CB C 37.07 0.30 . 335 132 71 PHE N N 122.066 0.30 . 336 133 72 GLN H H 7.86 0.03 . 337 133 72 GLN C C 178.99 0.30 . 338 133 72 GLN CA C 58.992 0.30 . 339 133 72 GLN CB C 27.463 0.30 . 340 133 72 GLN N N 118.197 0.30 . 341 134 73 MET H H 7.623 0.03 . 342 134 73 MET C C 177.188 0.30 . 343 134 73 MET CA C 58.76 0.30 . 344 134 73 MET CB C 32.911 0.30 . 345 134 73 MET N N 119.757 0.30 . 346 135 74 ALA H H 7.586 0.03 . 347 135 74 ALA C C 178.688 0.30 . 348 135 74 ALA CA C 55.063 0.30 . 349 135 74 ALA CB C 17.391 0.30 . 350 135 74 ALA N N 120.981 0.30 . 351 136 75 ARG H H 8.058 0.03 . 352 136 75 ARG C C 176.129 0.30 . 353 136 75 ARG CA C 59.418 0.30 . 354 136 75 ARG CB C 29.908 0.30 . 355 136 75 ARG N N 116.389 0.30 . 356 137 76 ALA H H 7.843 0.03 . 357 137 76 ALA C C 180.258 0.30 . 358 137 76 ALA CA C 54.598 0.30 . 359 137 76 ALA CB C 18.472 0.30 . 360 137 76 ALA N N 118.942 0.30 . 361 138 77 ASN H H 8.249 0.03 . 362 138 77 ASN C C 177.915 0.30 . 363 138 77 ASN CA C 54.995 0.30 . 364 138 77 ASN CB C 40.056 0.30 . 365 138 77 ASN N N 113.992 0.30 . 366 139 78 CYS H H 8.028 0.03 . 367 139 78 CYS C C 175.687 0.30 . 368 139 78 CYS CA C 57.101 0.30 . 369 139 78 CYS CB C 29.961 0.30 . 370 139 78 CYS N N 118.673 0.30 . 371 140 79 LYS H H 6.809 0.03 . 372 140 79 LYS C C 178.21 0.30 . 373 140 79 LYS CA C 59.111 0.30 . 374 140 79 LYS CB C 33.293 0.30 . 375 140 79 LYS N N 116.829 0.30 . 376 141 80 LYS H H 8.383 0.03 . 377 141 80 LYS C C 175.569 0.30 . 378 141 80 LYS CA C 57.947 0.30 . 379 141 80 LYS CB C 32.504 0.30 . 380 141 80 LYS N N 119.745 0.30 . 381 142 81 PHE H H 7.357 0.03 . 382 142 81 PHE C C 176.818 0.30 . 383 142 81 PHE CA C 58.439 0.30 . 384 142 81 PHE CB C 39.378 0.30 . 385 142 81 PHE N N 114.486 0.30 . 386 143 82 ALA H H 9.472 0.03 . 387 143 82 ALA C C 179.554 0.30 . 388 143 82 ALA CA C 56.763 0.30 . 389 143 82 ALA CB C 18.498 0.30 . 390 143 82 ALA N N 128.78 0.30 . 391 144 83 PHE H H 9.218 0.03 . 392 144 83 PHE C C 177.089 0.30 . 393 144 83 PHE CA C 60.795 0.30 . 394 144 83 PHE CB C 37.295 0.30 . 395 144 83 PHE N N 113.385 0.30 . 396 145 84 VAL H H 7.132 0.03 . 397 145 84 VAL C C 177.078 0.30 . 398 145 84 VAL CA C 65.338 0.30 . 399 145 84 VAL CB C 31.316 0.30 . 400 145 84 VAL N N 124.528 0.30 . 401 146 85 HIS H H 6.686 0.03 . 402 146 85 HIS C C 178.169 0.30 . 403 146 85 HIS CA C 59.379 0.30 . 404 146 85 HIS CB C 31.732 0.30 . 405 146 85 HIS N N 118.734 0.30 . 406 147 86 ILE H H 8.347 0.03 . 407 147 86 ILE C C 176.491 0.30 . 408 147 86 ILE CA C 65.266 0.30 . 409 147 86 ILE CB C 38.152 0.30 . 410 147 86 ILE N N 117.631 0.30 . 411 148 87 SER H H 7.933 0.03 . 412 148 87 SER C C 178.952 0.30 . 413 148 87 SER CA C 62.709 0.30 . 414 148 87 SER CB C 60.639 0.30 . 415 148 87 SER N N 115.854 0.30 . 416 149 88 PHE CA C 56.671 0.30 . 417 149 88 PHE CB C 37.636 0.30 . 418 150 89 ALA H H 8.697 0.03 . 419 150 89 ALA C C 180.386 0.30 . 420 150 89 ALA CA C 55.834 0.30 . 421 150 89 ALA CB C 18.156 0.30 . 422 150 89 ALA N N 122.63 0.30 . 423 151 90 GLN H H 9.427 0.03 . 424 151 90 GLN C C 177.162 0.30 . 425 151 90 GLN CA C 58.158 0.30 . 426 151 90 GLN CB C 28.948 0.30 . 427 151 90 GLN N N 123.432 0.30 . 428 152 91 PHE H H 7.975 0.03 . 429 152 91 PHE C C 178.697 0.30 . 430 152 91 PHE CA C 60.783 0.30 . 431 152 91 PHE CB C 38.158 0.30 . 432 152 91 PHE N N 122.853 0.30 . 433 153 92 GLU H H 8.131 0.03 . 434 153 92 GLU C C 179.408 0.30 . 435 153 92 GLU CA C 58.284 0.30 . 436 153 92 GLU CB C 28.041 0.30 . 437 153 92 GLU N N 118.349 0.30 . 438 154 93 LEU H H 8.164 0.03 . 439 154 93 LEU C C 181.211 0.30 . 440 154 93 LEU CA C 58.584 0.30 . 441 154 93 LEU CB C 42.077 0.30 . 442 154 93 LEU N N 122.462 0.30 . 443 155 94 SER H H 8.661 0.03 . 444 155 94 SER C C 175.277 0.30 . 445 155 94 SER CA C 61.613 0.30 . 446 155 94 SER CB C 63.027 0.30 . 447 155 94 SER N N 118.33 0.30 . 448 156 95 GLN H H 7.171 0.03 . 449 156 95 GLN C C 175.489 0.30 . 450 156 95 GLN CA C 54.949 0.30 . 451 156 95 GLN CB C 28.995 0.30 . 452 156 95 GLN N N 118.428 0.30 . 453 157 96 GLY H H 7.941 0.03 . 454 157 96 GLY C C 174.578 0.30 . 455 157 96 GLY CA C 44.872 0.30 . 456 157 96 GLY N N 106.883 0.30 . 457 158 97 ASN H H 8.211 0.03 . 458 158 97 ASN C C 175.078 0.30 . 459 158 97 ASN CA C 51.271 0.30 . 460 158 97 ASN CB C 36.909 0.30 . 461 158 97 ASN N N 122.375 0.30 . 462 159 98 VAL H H 7.52 0.03 . 463 159 98 VAL C C 177.576 0.30 . 464 159 98 VAL CA C 66.364 0.30 . 465 159 98 VAL CB C 31.783 0.30 . 466 159 98 VAL N N 121.588 0.30 . 467 160 99 LYS H H 8.296 0.03 . 468 160 99 LYS C C 179.398 0.30 . 469 160 99 LYS CA C 59.894 0.30 . 470 160 99 LYS CB C 31.656 0.30 . 471 160 99 LYS N N 120.159 0.30 . 472 161 100 LYS H H 7.59 0.03 . 473 161 100 LYS C C 178.067 0.30 . 474 161 100 LYS CA C 58.041 0.30 . 475 161 100 LYS CB C 32.107 0.30 . 476 161 100 LYS N N 119.818 0.30 . 477 162 101 SER H H 7.81 0.03 . 478 162 101 SER C C 178.062 0.30 . 479 162 101 SER CA C 63.49 0.30 . 480 162 101 SER CB C 61.232 0.30 . 481 162 101 SER N N 113.52 0.30 . 482 163 102 LYS H H 7.81 0.03 . 483 163 102 LYS C C 178.136 0.30 . 484 163 102 LYS CA C 60.331 0.30 . 485 163 102 LYS CB C 32.439 0.30 . 486 163 102 LYS N N 117.607 0.30 . 487 164 103 GLN H H 7.896 0.03 . 488 164 103 GLN C C 178.885 0.30 . 489 164 103 GLN CA C 59.143 0.30 . 490 164 103 GLN CB C 28.564 0.30 . 491 164 103 GLN N N 118.086 0.30 . 492 165 104 LEU H H 8.341 0.03 . 493 165 104 LEU C C 180.75 0.30 . 494 165 104 LEU CA C 58.166 0.30 . 495 165 104 LEU CB C 42.718 0.30 . 496 165 104 LEU N N 119.587 0.30 . 497 166 105 LEU H H 7.534 0.03 . 498 166 105 LEU C C 178.188 0.30 . 499 166 105 LEU CA C 57.645 0.30 . 500 166 105 LEU CB C 41.84 0.30 . 501 166 105 LEU N N 118.448 0.30 . 502 167 106 GLN H H 8.585 0.03 . 503 167 106 GLN C C 179.804 0.30 . 504 167 106 GLN CA C 59.375 0.30 . 505 167 106 GLN CB C 28.246 0.30 . 506 167 106 GLN N N 117.941 0.30 . 507 168 107 LYS H H 8.502 0.03 . 508 168 107 LYS C C 178.1 0.30 . 509 168 107 LYS CA C 57.941 0.30 . 510 168 107 LYS CB C 31.323 0.30 . 511 168 107 LYS N N 119.416 0.30 . 512 169 108 ALA H H 7.308 0.03 . 513 169 108 ALA C C 178.766 0.30 . 514 169 108 ALA CA C 55.186 0.30 . 515 169 108 ALA CB C 18.783 0.30 . 516 169 108 ALA N N 121.896 0.30 . 517 170 109 VAL H H 7.598 0.03 . 518 170 109 VAL C C 180.138 0.30 . 519 170 109 VAL CA C 66.478 0.30 . 520 170 109 VAL CB C 31.888 0.30 . 521 170 109 VAL N N 118.024 0.30 . 522 171 110 GLU H H 7.879 0.03 . 523 171 110 GLU C C 178.566 0.30 . 524 171 110 GLU CA C 59.189 0.30 . 525 171 110 GLU CB C 29.848 0.30 . 526 171 110 GLU N N 120.914 0.30 . 527 172 111 ARG H H 7.9 0.03 . 528 172 111 ARG C C 176.83 0.30 . 529 172 111 ARG CA C 55.457 0.30 . 530 172 111 ARG CB C 29.75 0.30 . 531 172 111 ARG N N 114.838 0.30 . 532 173 112 GLY H H 7.706 0.03 . 533 173 112 GLY C C 174.813 0.30 . 534 173 112 GLY CA C 46.601 0.30 . 535 173 112 GLY N N 108.73 0.30 . 536 174 113 ALA H H 7.566 0.03 . 537 174 113 ALA C C 175.999 0.30 . 538 174 113 ALA CA C 52.878 0.30 . 539 174 113 ALA CB C 18.281 0.30 . 540 174 113 ALA N N 122.358 0.30 . 541 175 114 VAL H H 8.344 0.03 . 542 175 114 VAL C C 175.642 0.30 . 543 175 114 VAL CA C 58.387 0.30 . 544 175 114 VAL CB C 34.363 0.30 . 545 175 114 VAL N N 109.169 0.30 . 546 176 115 PRO CA C 62.633 0.30 . 547 176 115 PRO CB C 33.942 0.30 . 548 177 116 LEU H H 9.185 0.03 . 549 177 116 LEU C C 179.247 0.30 . 550 177 116 LEU CA C 58.242 0.30 . 551 177 116 LEU CB C 41.618 0.30 . 552 177 116 LEU N N 128.89 0.30 . 553 178 117 GLU H H 9.536 0.03 . 554 178 117 GLU C C 178.701 0.30 . 555 178 117 GLU CA C 59.946 0.30 . 556 178 117 GLU CB C 29.474 0.30 . 557 178 117 GLU N N 117.285 0.30 . 558 179 118 MET H H 7.077 0.03 . 559 179 118 MET C C 177.532 0.30 . 560 179 118 MET CA C 59.192 0.30 . 561 179 118 MET CB C 34.573 0.30 . 562 179 118 MET N N 114.358 0.30 . 563 180 119 LEU H H 6.916 0.03 . 564 180 119 LEU C C 178.118 0.30 . 565 180 119 LEU CA C 57.659 0.30 . 566 180 119 LEU CB C 41.667 0.30 . 567 180 119 LEU N N 117.291 0.30 . 568 181 120 GLU H H 8.046 0.03 . 569 181 120 GLU C C 180.071 0.30 . 570 181 120 GLU CA C 59.823 0.30 . 571 181 120 GLU CB C 29.437 0.30 . 572 181 120 GLU N N 117.696 0.30 . 573 182 121 ILE H H 7.797 0.03 . 574 182 121 ILE C C 177.002 0.30 . 575 182 121 ILE CA C 65.206 0.30 . 576 182 121 ILE CB C 38.382 0.30 . 577 182 121 ILE N N 120.996 0.30 . 578 183 122 ALA H H 7.606 0.03 . 579 183 122 ALA C C 179.329 0.30 . 580 183 122 ALA CA C 54.825 0.30 . 581 183 122 ALA CB C 19.388 0.30 . 582 183 122 ALA N N 121.448 0.30 . 583 184 123 LEU H H 8.424 0.03 . 584 184 123 LEU C C 179.154 0.30 . 585 184 123 LEU CA C 58.178 0.30 . 586 184 123 LEU CB C 42.234 0.30 . 587 184 123 LEU N N 117.645 0.30 . 588 185 124 ARG H H 7.896 0.03 . 589 185 124 ARG C C 178.971 0.30 . 590 185 124 ARG CA C 59.586 0.30 . 591 185 124 ARG CB C 29.684 0.30 . 592 185 124 ARG N N 121.274 0.30 . 593 186 125 ASN H H 8.539 0.03 . 594 186 125 ASN C C 177.955 0.30 . 595 186 125 ASN CA C 55.765 0.30 . 596 186 125 ASN CB C 37.252 0.30 . 597 186 125 ASN N N 118.919 0.30 . 598 187 126 LEU H H 8.518 0.03 . 599 187 126 LEU C C 181.47 0.30 . 600 187 126 LEU CA C 58.515 0.30 . 601 187 126 LEU CB C 41.546 0.30 . 602 187 126 LEU N N 123.05 0.30 . 603 188 127 ASN H H 8.102 0.03 . 604 188 127 ASN C C 176.949 0.30 . 605 188 127 ASN CA C 56.039 0.30 . 606 188 127 ASN CB C 38.425 0.30 . 607 188 127 ASN N N 119.967 0.30 . 608 189 128 LEU H H 7.764 0.03 . 609 189 128 LEU C C 175.859 0.30 . 610 189 128 LEU CA C 55.079 0.30 . 611 189 128 LEU CB C 42.436 0.30 . 612 189 128 LEU N N 119.652 0.30 . 613 190 129 GLN H H 7.98 0.03 . 614 190 129 GLN C C 175.965 0.30 . 615 190 129 GLN CA C 56.9 0.30 . 616 190 129 GLN CB C 25.383 0.30 . 617 190 129 GLN N N 113.237 0.30 . 618 191 130 LYS H H 7.547 0.03 . 619 191 130 LYS C C 176.642 0.30 . 620 191 130 LYS CA C 56.181 0.30 . 621 191 130 LYS CB C 33.168 0.30 . 622 191 130 LYS N N 117.151 0.30 . 623 192 131 LYS H H 8.2 0.03 . 624 192 131 LYS C C 176.267 0.30 . 625 192 131 LYS CA C 56.721 0.30 . 626 192 131 LYS CB C 32.536 0.30 . 627 192 131 LYS N N 116.933 0.30 . 628 193 132 GLN H H 7.139 0.03 . 629 193 132 GLN C C 175.357 0.30 . 630 193 132 GLN CA C 53.72 0.30 . 631 193 132 GLN CB C 30.374 0.30 . 632 193 132 GLN N N 116.716 0.30 . 633 194 133 LEU H H 8.792 0.03 . 634 194 133 LEU C C 176.298 0.30 . 635 194 133 LEU CA C 57.269 0.30 . 636 194 133 LEU CB C 41.784 0.30 . 637 194 133 LEU N N 123.476 0.30 . 638 195 134 LEU H H 7.753 0.03 . 639 195 134 LEU C C 175.855 0.30 . 640 195 134 LEU CA C 53.628 0.30 . 641 195 134 LEU CB C 45.825 0.30 . 642 195 134 LEU N N 116.16 0.30 . 643 196 135 SER H H 9.598 0.03 . 644 196 135 SER C C 174.806 0.30 . 645 196 135 SER CA C 56.973 0.30 . 646 196 135 SER CB C 65.392 0.30 . 647 196 135 SER N N 122.135 0.30 . 648 197 136 GLU H H 8.886 0.03 . 649 197 136 GLU C C 179.12 0.30 . 650 197 136 GLU CA C 59.675 0.30 . 651 197 136 GLU CB C 29.075 0.30 . 652 197 136 GLU N N 120.601 0.30 . 653 198 137 GLU H H 8.409 0.03 . 654 198 137 GLU C C 178.706 0.30 . 655 198 137 GLU CA C 59.557 0.30 . 656 198 137 GLU CB C 29.353 0.30 . 657 198 137 GLU N N 119.059 0.30 . 658 199 138 GLU H H 7.739 0.03 . 659 199 138 GLU C C 178.992 0.30 . 660 199 138 GLU CA C 58.869 0.30 . 661 199 138 GLU CB C 29.843 0.30 . 662 199 138 GLU N N 119.905 0.30 . 663 200 139 LYS H H 8.128 0.03 . 664 200 139 LYS C C 178.7 0.30 . 665 200 139 LYS CA C 59.741 0.30 . 666 200 139 LYS CB C 32.638 0.30 . 667 200 139 LYS N N 117.749 0.30 . 668 201 140 LYS H H 7.747 0.03 . 669 201 140 LYS C C 178.291 0.30 . 670 201 140 LYS CA C 58.706 0.30 . 671 201 140 LYS CB C 32.338 0.30 . 672 201 140 LYS N N 119.158 0.30 . 673 202 141 ASN H H 7.941 0.03 . 674 202 141 ASN C C 176.566 0.30 . 675 202 141 ASN CA C 54.635 0.30 . 676 202 141 ASN CB C 38.497 0.30 . 677 202 141 ASN N N 117.309 0.30 . 678 203 142 LEU H H 7.806 0.03 . 679 203 142 LEU C C 177.643 0.30 . 680 203 142 LEU CA C 55.952 0.30 . 681 203 142 LEU CB C 42.251 0.30 . 682 203 142 LEU N N 120.16 0.30 . 683 204 143 SER H H 7.953 0.03 . 684 204 143 SER C C 174.477 0.30 . 685 204 143 SER CA C 59.138 0.30 . 686 204 143 SER CB C 63.695 0.30 . 687 204 143 SER N N 115.093 0.30 . 688 205 144 ALA H H 8.076 0.03 . 689 205 144 ALA C C 177.889 0.30 . 690 205 144 ALA CA C 52.883 0.30 . 691 205 144 ALA CB C 19.148 0.30 . 692 205 144 ALA N N 124.841 0.30 . 693 206 145 SER H H 8.142 0.03 . 694 206 145 SER C C 174.961 0.30 . 695 206 145 SER CA C 58.712 0.30 . 696 206 145 SER CB C 63.796 0.30 . 697 206 145 SER N N 114.137 0.30 . 698 207 146 THR H H 8.085 0.03 . 699 207 146 THR C C 174.473 0.30 . 700 207 146 THR CA C 62.299 0.30 . 701 207 146 THR CB C 69.646 0.30 . 702 207 146 THR N N 116.289 0.30 . 703 208 147 VAL H H 8.026 0.03 . 704 208 147 VAL C C 176.098 0.30 . 705 208 147 VAL CA C 62.67 0.30 . 706 208 147 VAL CB C 32.508 0.30 . 707 208 147 VAL N N 122.347 0.30 . 708 209 148 LEU H H 8.252 0.03 . 709 209 148 LEU C C 177.532 0.30 . 710 209 148 LEU CA C 55.304 0.30 . 711 209 148 LEU CB C 42.283 0.30 . 712 209 148 LEU N N 125.331 0.30 . 713 210 149 THR H H 8.027 0.03 . 714 210 149 THR C C 174.42 0.30 . 715 210 149 THR CA C 61.844 0.30 . 716 210 149 THR CB C 69.9 0.30 . 717 210 149 THR N N 114.424 0.30 . 718 211 150 ALA H H 8.258 0.03 . 719 211 150 ALA C C 177.796 0.30 . 720 211 150 ALA CA C 52.747 0.30 . 721 211 150 ALA CB C 19.049 0.30 . 722 211 150 ALA N N 125.935 0.30 . 723 212 151 GLN H H 8.259 0.03 . 724 212 151 GLN C C 176.3 0.30 . 725 212 151 GLN CA C 56.189 0.30 . 726 212 151 GLN CB C 29.386 0.30 . 727 212 151 GLN N N 119.241 0.30 . 728 213 152 GLU H H 8.344 0.03 . 729 213 152 GLU C C 176.535 0.30 . 730 213 152 GLU CA C 56.864 0.30 . 731 213 152 GLU CB C 30.293 0.30 . 732 213 152 GLU N N 121.747 0.30 . 733 214 153 SER H H 8.193 0.03 . 734 214 153 SER C C 174.268 0.30 . 735 214 153 SER CA C 58.465 0.30 . 736 214 153 SER CB C 63.8 0.30 . 737 214 153 SER N N 116.137 0.30 . 738 218 157 SER CA C 58.454 0.30 . 739 218 157 SER CB C 63.794 0.30 . 740 219 158 LEU H H 8.246 0.03 . 741 219 158 LEU C C 178.11 0.30 . 742 219 158 LEU CA C 55.411 0.30 . 743 219 158 LEU CB C 42.107 0.30 . 744 219 158 LEU N N 123.295 0.30 . 745 220 159 GLY H H 8.278 0.03 . 746 220 159 GLY C C 174.302 0.30 . 747 220 159 GLY CA C 45.757 0.30 . 748 220 159 GLY N N 108.797 0.30 . 749 221 160 HIS CA C 56.792 0.30 . 750 221 160 HIS CB C 30.785 0.30 . 751 222 161 LEU H H 7.928 0.03 . 752 222 161 LEU C C 177.364 0.30 . 753 222 161 LEU CA C 55.342 0.30 . 754 222 161 LEU CB C 41.998 0.30 . 755 222 161 LEU N N 122.293 0.30 . 756 223 162 GLN H H 8.164 0.03 . 757 223 162 GLN C C 177.388 0.30 . 758 223 162 GLN CA C 56.043 0.30 . 759 223 162 GLN CB C 29.243 0.30 . 760 223 162 GLN N N 119.817 0.30 . 761 224 163 ASN H H 8.071 0.03 . 762 224 163 ASN N N 115.943 0.30 . 763 225 164 ARG CA C 55.589 0.30 . 764 225 164 ARG CB C 29.645 0.30 . 765 226 165 ASN H H 7.961 0.03 . 766 226 165 ASN CA C 54.801 0.30 . 767 226 165 ASN CB C 39.09 0.30 . 768 226 165 ASN N N 125.657 0.30 . 769 227 166 ASN H H 7.908 0.03 . 770 227 166 ASN C C 179.379 0.30 . 771 227 166 ASN CA C 54.778 0.30 . 772 227 166 ASN CB C 40.262 0.30 . 773 227 166 ASN N N 124.165 0.30 . 774 229 168 CYS CA C 62.966 0.30 . 775 229 168 CYS CB C 31.588 0.30 . 776 230 169 ASP H H 8.383 0.03 . 777 230 169 ASP C C 176.269 0.30 . 778 230 169 ASP CA C 55.23 0.30 . 779 230 169 ASP CB C 41.751 0.30 . 780 230 169 ASP N N 122.772 0.30 . 781 231 170 SER H H 7.334 0.03 . 782 231 170 SER C C 174.117 0.30 . 783 231 170 SER CA C 56.376 0.30 . 784 231 170 SER CB C 65.816 0.30 . 785 231 170 SER N N 116.979 0.30 . 786 236 175 THR H H 7.793 0.03 . 787 236 175 THR C C 179.171 0.30 . 788 236 175 THR CA C 63.297 0.30 . 789 236 175 THR CB C 70.522 0.30 . 790 236 175 THR N N 121.441 0.30 . 791 237 176 LYS H H 8.24 0.03 . 792 237 176 LYS C C 175.941 0.30 . 793 237 176 LYS CA C 56.116 0.30 . 794 237 176 LYS CB C 33.17 0.30 . 795 237 176 LYS N N 124.153 0.30 . 796 238 177 ALA H H 8.29 0.03 . 797 238 177 ALA C C 176.675 0.30 . 798 238 177 ALA CA C 52.609 0.30 . 799 238 177 ALA CB C 19.253 0.30 . 800 238 177 ALA N N 126.406 0.30 . 801 239 178 ARG H H 7.843 0.03 . 802 239 178 ARG C C 180.951 0.30 . 803 239 178 ARG CA C 57.413 0.30 . 804 239 178 ARG CB C 31.452 0.30 . 805 239 178 ARG N N 125.272 0.30 . stop_ save_