data_28065 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone N, HN, CO and CA Chemical Shift Assignments for Tau (1-239) ; _BMRB_accession_number 28065 _BMRB_flat_file_name bmr28065.str _Entry_type original _Submission_date 2020-01-27 _Accession_date 2020-01-27 _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 'Ibanez de Opakua' Alain . . 2 Zweckstetter Markus . . 3 Cima-Omori 'Maria Sol' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 205 "13C chemical shifts" 437 "15N chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-14 original BMRB . stop_ _Original_release_date 2020-01-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; PProteasomal degradation of the intrinsically disordered protein tau at single-residue resolution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32832664 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ukmar-Godec Tina . . 2 Fang Pan . . 3 'Ibanez de Opakua' Alain . . 4 Henneberg Fabian . . 5 Godec Aljaz . . 6 Pan Kuan-Ting . . 7 Cima-Omori 'Maria Sol' . . 8 Chari Ashwin . . 9 Mandelkow Eckhard . . 10 Urlaub Henning . . 11 Zweckstetter Markus . . stop_ _Journal_abbreviation 'Sci. Adv.' _Journal_name_full 'Science advances' _Journal_volume 6 _Journal_issue 30 _Journal_ISSN 2375-2548 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first eaba3916 _Page_last eaba3916 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tau (1-239)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tau (1-239)' $Tau_(1-239) stop_ _System_molecular_weight 24452 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Tau_(1-239) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tau_(1-239) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 239 _Mol_residue_sequence ; MAEPRQEFEVMEDHAGTYGL GDRKDQGGYTMHQDQEGDTD AGLKESPLQTPTEDGSEEPG SETSDAKSTPTAEDVTAPLV DEGAPGKQAAAQPHTEIPEG TTAEEAGIGDTPSLEDEAAG HVTQARMVSKSKDGTGSDDK KAKGADGKTKIATPRGAAPP GQKGQANATRIPAKTPPAPK TPPSSGEPPKSGDRSGYSSP GSPGTPGSRSRTPSLPTPPT REPKKVAVVRTPPKSPSSA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 PRO 5 ARG 6 GLN 7 GLU 8 PHE 9 GLU 10 VAL 11 MET 12 GLU 13 ASP 14 HIS 15 ALA 16 GLY 17 THR 18 TYR 19 GLY 20 LEU 21 GLY 22 ASP 23 ARG 24 LYS 25 ASP 26 GLN 27 GLY 28 GLY 29 TYR 30 THR 31 MET 32 HIS 33 GLN 34 ASP 35 GLN 36 GLU 37 GLY 38 ASP 39 THR 40 ASP 41 ALA 42 GLY 43 LEU 44 LYS 45 GLU 46 SER 47 PRO 48 LEU 49 GLN 50 THR 51 PRO 52 THR 53 GLU 54 ASP 55 GLY 56 SER 57 GLU 58 GLU 59 PRO 60 GLY 61 SER 62 GLU 63 THR 64 SER 65 ASP 66 ALA 67 LYS 68 SER 69 THR 70 PRO 71 THR 72 ALA 73 GLU 74 ASP 75 VAL 76 THR 77 ALA 78 PRO 79 LEU 80 VAL 81 ASP 82 GLU 83 GLY 84 ALA 85 PRO 86 GLY 87 LYS 88 GLN 89 ALA 90 ALA 91 ALA 92 GLN 93 PRO 94 HIS 95 THR 96 GLU 97 ILE 98 PRO 99 GLU 100 GLY 101 THR 102 THR 103 ALA 104 GLU 105 GLU 106 ALA 107 GLY 108 ILE 109 GLY 110 ASP 111 THR 112 PRO 113 SER 114 LEU 115 GLU 116 ASP 117 GLU 118 ALA 119 ALA 120 GLY 121 HIS 122 VAL 123 THR 124 GLN 125 ALA 126 ARG 127 MET 128 VAL 129 SER 130 LYS 131 SER 132 LYS 133 ASP 134 GLY 135 THR 136 GLY 137 SER 138 ASP 139 ASP 140 LYS 141 LYS 142 ALA 143 LYS 144 GLY 145 ALA 146 ASP 147 GLY 148 LYS 149 THR 150 LYS 151 ILE 152 ALA 153 THR 154 PRO 155 ARG 156 GLY 157 ALA 158 ALA 159 PRO 160 PRO 161 GLY 162 GLN 163 LYS 164 GLY 165 GLN 166 ALA 167 ASN 168 ALA 169 THR 170 ARG 171 ILE 172 PRO 173 ALA 174 LYS 175 THR 176 PRO 177 PRO 178 ALA 179 PRO 180 LYS 181 THR 182 PRO 183 PRO 184 SER 185 SER 186 GLY 187 GLU 188 PRO 189 PRO 190 LYS 191 SER 192 GLY 193 ASP 194 ARG 195 SER 196 GLY 197 TYR 198 SER 199 SER 200 PRO 201 GLY 202 SER 203 PRO 204 GLY 205 THR 206 PRO 207 GLY 208 SER 209 ARG 210 SER 211 ARG 212 THR 213 PRO 214 SER 215 LEU 216 PRO 217 THR 218 PRO 219 PRO 220 THR 221 ARG 222 GLU 223 PRO 224 LYS 225 LYS 226 VAL 227 ALA 228 VAL 229 VAL 230 ARG 231 THR 232 PRO 233 PRO 234 LYS 235 SER 236 PRO 237 SER 238 SER 239 ALA 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 $Tau_(1-239) 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 $Tau_(1-239) 'recombinant technology' . Escherichia coli . pNG2 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 $Tau_(1-239) 125 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' D2O 5 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 800 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.154 . M pH 6.8 . pH pressure 1 . atm temperature 278 . 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' 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 'Tau (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 2 2 ALA C C 173.732 0.05 1 2 2 2 ALA CA C 51.659 0.1 1 3 3 3 GLU H H 8.839 0.01 1 4 3 3 GLU CA C 54.374 0.1 1 5 3 3 GLU N N 121.701 0.05 1 6 4 4 PRO C C 176.768 0.05 1 7 4 4 PRO CA C 62.758 0.1 1 8 5 5 ARG H H 8.586 0.01 1 9 5 5 ARG C C 176.349 0.05 1 10 5 5 ARG CA C 56.33 0.1 1 11 5 5 ARG N N 122.238 0.05 1 12 6 6 GLN H H 8.665 0.01 1 13 6 6 GLN C C 175.881 0.05 1 14 6 6 GLN CA C 55.791 0.1 1 15 6 6 GLN N N 122.938 0.05 1 16 7 7 GLU H H 8.621 0.01 1 17 7 7 GLU C C 176.121 0.05 1 18 7 7 GLU CA C 56.884 0.1 1 19 7 7 GLU N N 122.726 0.05 1 20 8 8 PHE H H 8.252 0.01 1 21 8 8 PHE C C 175.513 0.05 1 22 8 8 PHE CA C 57.402 0.1 1 23 8 8 PHE N N 119.718 0.05 1 24 9 9 GLU H H 8.37 0.01 1 25 9 9 GLU C C 176.107 0.05 1 26 9 9 GLU CA C 56.455 0.1 1 27 9 9 GLU N N 122.67 0.05 1 28 10 10 VAL H H 8.374 0.01 1 29 10 10 VAL C C 176.247 0.05 1 30 10 10 VAL CA C 62.458 0.1 1 31 10 10 VAL N N 122.501 0.05 1 32 11 11 MET H H 8.63 0.01 1 33 11 11 MET C C 176.24 0.05 1 34 11 11 MET CA C 55.271 0.1 1 35 11 11 MET N N 125.304 0.05 1 36 12 12 GLU H H 8.568 0.01 1 37 12 12 GLU C C 175.95 0.05 1 38 12 12 GLU CA C 56.562 0.1 1 39 12 12 GLU N N 122.997 0.05 1 40 13 13 ASP H H 8.495 0.01 1 41 13 13 ASP C C 176.289 0.05 1 42 13 13 ASP CA C 54.269 0.1 1 43 13 13 ASP N N 121.855 0.05 1 44 14 14 HIS H H 8.549 0.01 1 45 14 14 HIS C C 174.837 0.05 1 46 14 14 HIS CA C 55.728 0.1 1 47 14 14 HIS N N 120.23 0.05 1 48 15 15 ALA H H 8.474 0.01 1 49 15 15 ALA C C 178.531 0.05 1 50 15 15 ALA CA C 53.121 0.1 1 51 15 15 ALA N N 124.654 0.05 1 52 16 16 GLY H H 8.525 0.01 1 53 16 16 GLY C C 174.52 0.05 1 54 16 16 GLY CA C 45.433 0.1 1 55 16 16 GLY N N 108.206 0.05 1 56 17 17 THR H H 8.092 0.01 1 57 17 17 THR C C 174.577 0.05 1 58 17 17 THR CA C 62.109 0.1 1 59 17 17 THR N N 113.767 0.05 1 60 18 18 TYR H H 8.431 0.01 1 61 18 18 TYR C C 176.457 0.05 1 62 18 18 TYR CA C 58.304 0.1 1 63 18 18 TYR N N 122.976 0.05 1 64 19 19 GLY H H 8.474 0.01 1 65 19 19 GLY C C 174.29 0.05 1 66 19 19 GLY CA C 45.267 0.1 1 67 19 19 GLY N N 111.068 0.05 1 68 20 20 LEU H H 8.23 0.01 1 69 20 20 LEU C C 178.252 0.05 1 70 20 20 LEU CA C 55.438 0.1 1 71 20 20 LEU N N 121.521 0.05 1 72 21 21 GLY H H 8.569 0.01 1 73 21 21 GLY C C 173.973 0.05 1 74 21 21 GLY CA C 45.387 0.1 1 75 21 21 GLY N N 109.508 0.05 1 76 22 22 ASP H H 8.318 0.01 1 77 22 22 ASP C C 176.487 0.05 1 78 22 22 ASP CA C 54.328 0.1 1 79 22 22 ASP N N 120.595 0.05 1 80 23 23 ARG H H 8.412 0.01 1 81 23 23 ARG C C 176.698 0.05 1 82 23 23 ARG CA C 56.262 0.1 1 83 23 23 ARG N N 121.445 0.05 1 84 24 24 LYS H H 8.54 0.01 1 85 24 24 LYS C C 176.596 0.05 1 86 24 24 LYS CA C 56.546 0.1 1 87 24 24 LYS N N 122.403 0.05 1 88 25 25 ASP H H 8.486 0.01 1 89 25 25 ASP C C 176.482 0.05 1 90 25 25 ASP CA C 54.323 0.1 1 91 25 25 ASP N N 120.663 0.05 1 92 26 26 GLN H H 8.438 0.01 1 93 26 26 GLN C C 176.748 0.05 1 94 26 26 GLN CA C 56.09 0.1 1 95 26 26 GLN N N 120.612 0.05 1 96 27 27 GLY H H 8.577 0.01 1 97 27 27 GLY C C 174.696 0.05 1 98 27 27 GLY CA C 45.025 0.1 1 99 27 27 GLY N N 109.639 0.05 1 100 28 28 GLY H H 8.349 0.01 1 101 28 28 GLY C C 173.972 0.05 1 102 28 28 GLY CA C 45.184 0.1 1 103 28 28 GLY N N 108.787 0.05 1 104 29 29 TYR H H 8.2 0.01 1 105 29 29 TYR C C 176.08 0.05 1 106 29 29 TYR CA C 58.077 0.1 1 107 29 29 TYR N N 120.455 0.05 1 108 30 30 THR H H 8.219 0.01 1 109 30 30 THR C C 173.971 0.05 1 110 30 30 THR CA C 61.835 0.1 1 111 30 30 THR N N 117.344 0.05 1 112 31 31 MET H H 8.421 0.01 1 113 31 31 MET C C 175.903 0.05 1 114 31 31 MET CA C 55.537 0.1 1 115 31 31 MET N N 123.235 0.05 1 116 32 32 HIS H H 8.618 0.01 1 117 32 32 HIS C C 174.633 0.05 1 118 32 32 HIS CA C 55.852 0.1 1 119 32 32 HIS N N 120.895 0.05 1 120 33 33 GLN H H 8.567 0.01 1 121 33 33 GLN C C 175.55 0.05 1 122 33 33 GLN CA C 55.793 0.1 1 123 33 33 GLN N N 122.83 0.05 1 124 34 34 ASP H H 8.692 0.01 1 125 34 34 ASP C C 176.241 0.05 1 126 34 34 ASP CA C 54.764 0.1 1 127 34 34 ASP N N 122.241 0.05 1 128 35 35 GLN H H 8.502 0.01 1 129 35 35 GLN C C 176.086 0.05 1 130 35 35 GLN CA C 55.727 0.1 1 131 35 35 GLN N N 120.403 0.05 1 132 36 36 GLU H H 8.62 0.01 1 133 36 36 GLU C C 177.093 0.05 1 134 36 36 GLU CA C 56.901 0.1 1 135 36 36 GLU N N 122.624 0.05 1 136 37 37 GLY H H 8.56 0.01 1 137 37 37 GLY C C 173.893 0.05 1 138 37 37 GLY CA C 45.166 0.1 1 139 37 37 GLY N N 110.285 0.05 1 140 38 38 ASP H H 8.384 0.01 1 141 38 38 ASP C C 176.949 0.05 1 142 38 38 ASP CA C 54.332 0.1 1 143 38 38 ASP N N 120.825 0.05 1 144 39 39 THR H H 8.338 0.01 1 145 39 39 THR C C 174.672 0.05 1 146 39 39 THR CA C 62.264 0.1 1 147 39 39 THR N N 115.006 0.05 1 148 40 40 ASP H H 8.526 0.01 1 149 40 40 ASP C C 176.446 0.05 1 150 40 40 ASP CA C 54.534 0.1 1 151 40 40 ASP N N 123.049 0.05 1 152 41 41 ALA H H 8.395 0.01 1 153 41 41 ALA C C 178.628 0.05 1 154 41 41 ALA CA C 53.244 0.1 1 155 41 41 ALA N N 125.325 0.05 1 156 42 42 GLY H H 8.501 0.01 1 157 42 42 GLY C C 174.351 0.05 1 158 42 42 GLY CA C 45.388 0.1 1 159 42 42 GLY N N 107.543 0.05 1 160 43 43 LEU H H 8.069 0.01 1 161 43 43 LEU C C 177.628 0.05 1 162 43 43 LEU CA C 55.219 0.1 1 163 43 43 LEU N N 121.441 0.05 1 164 44 44 LYS H H 8.374 0.01 1 165 44 44 LYS C C 176.509 0.05 1 166 44 44 LYS CA C 56.119 0.1 1 167 44 44 LYS N N 122.565 0.05 1 168 45 45 GLU H H 8.478 0.01 1 169 45 45 GLU C C 176.323 0.05 1 170 45 45 GLU CA C 56.147 0.1 1 171 45 45 GLU N N 122.221 0.05 1 172 46 46 SER H H 8.607 0.01 1 173 46 46 SER CA C 56.425 0.1 1 174 46 46 SER N N 119.212 0.05 1 175 47 47 PRO C C 176.873 0.05 1 176 47 47 PRO CA C 63.093 0.1 1 177 48 48 LEU H H 8.443 0.01 1 178 48 48 LEU C C 177.471 0.05 1 179 48 48 LEU CA C 55.255 0.1 1 180 48 48 LEU N N 122.632 0.05 1 181 49 49 GLN H H 8.528 0.01 1 182 49 49 GLN C C 175.821 0.05 1 183 49 49 GLN CA C 55.338 0.1 1 184 49 49 GLN N N 122.123 0.05 1 185 50 50 THR H H 8.462 0.01 1 186 50 50 THR CA C 60.045 0.1 1 187 50 50 THR N N 119.496 0.05 1 188 51 51 PRO C C 177.16 0.05 1 189 51 51 PRO CA C 63.279 0.1 1 190 52 52 THR H H 8.489 0.01 1 191 52 52 THR C C 174.791 0.05 1 192 52 52 THR CA C 61.997 0.1 1 193 52 52 THR N N 115.713 0.05 1 194 53 53 GLU H H 8.66 0.01 1 195 53 53 GLU C C 176.329 0.05 1 196 53 53 GLU CA C 56.505 0.1 1 197 53 53 GLU N N 123.72 0.05 1 198 54 54 ASP H H 8.582 0.01 1 199 54 54 ASP C C 177.034 0.05 1 200 54 54 ASP CA C 54.379 0.1 1 201 54 54 ASP N N 122.055 0.05 1 202 55 55 GLY H H 8.595 0.01 1 203 55 55 GLY C C 174.565 0.05 1 204 55 55 GLY CA C 45.453 0.1 1 205 55 55 GLY N N 110.513 0.05 1 206 56 56 SER H H 8.338 0.01 1 207 56 56 SER C C 174.566 0.05 1 208 56 56 SER CA C 58.666 0.1 1 209 56 56 SER N N 116.057 0.05 1 210 57 57 GLU H H 8.663 0.01 1 211 57 57 GLU C C 176.333 0.05 1 212 57 57 GLU CA C 56.202 0.1 1 213 57 57 GLU N N 122.705 0.05 1 214 58 58 GLU H H 8.595 0.01 1 215 58 58 GLU CA C 54.302 0.1 1 216 58 58 GLU N N 124.076 0.05 1 217 59 59 PRO C C 177.723 0.05 1 218 59 59 PRO CA C 63.53 0.1 1 219 60 60 GLY H H 8.766 0.01 1 220 60 60 GLY C C 174.453 0.05 1 221 60 60 GLY CA C 45.188 0.1 1 222 60 60 GLY N N 110.349 0.05 1 223 61 61 SER H H 8.358 0.01 1 224 61 61 SER C C 174.857 0.05 1 225 61 61 SER CA C 58.604 0.1 1 226 61 61 SER N N 115.905 0.05 1 227 62 62 GLU H H 8.84 0.01 1 228 62 62 GLU C C 176.954 0.05 1 229 62 62 GLU CA C 56.856 0.1 1 230 62 62 GLU N N 123.097 0.05 1 231 63 63 THR H H 8.37 0.01 1 232 63 63 THR C C 174.798 0.05 1 233 63 63 THR CA C 61.835 0.1 1 234 63 63 THR N N 115.22 0.05 1 235 64 64 SER H H 8.468 0.01 1 236 64 64 SER C C 174.474 0.05 1 237 64 64 SER CA C 58.482 0.1 1 238 64 64 SER N N 118.369 0.05 1 239 65 65 ASP H H 8.506 0.01 1 240 65 65 ASP C C 176.223 0.05 1 241 65 65 ASP CA C 54.356 0.1 1 242 65 65 ASP N N 122.915 0.05 1 243 66 66 ALA H H 8.327 0.01 1 244 66 66 ALA C C 178.047 0.05 1 245 66 66 ALA CA C 52.877 0.1 1 246 66 66 ALA N N 124.629 0.05 1 247 67 67 LYS H H 8.413 0.01 1 248 67 67 LYS C C 176.859 0.05 1 249 67 67 LYS CA C 56.177 0.1 1 250 67 67 LYS N N 120.41 0.05 1 251 68 68 SER H H 8.399 0.01 1 252 68 68 SER C C 174.325 0.05 1 253 68 68 SER CA C 58.236 0.1 1 254 68 68 SER N N 117.271 0.05 1 255 69 69 THR H H 8.364 0.01 1 256 69 69 THR CA C 59.928 0.1 1 257 69 69 THR N N 119.106 0.05 1 258 70 70 PRO C C 177.141 0.05 1 259 70 70 PRO CA C 63.242 0.1 1 260 71 71 THR H H 8.524 0.01 1 261 71 71 THR C C 174.474 0.05 1 262 71 71 THR CA C 61.893 0.1 1 263 71 71 THR N N 116.025 0.05 1 264 72 72 ALA H H 8.577 0.01 1 265 72 72 ALA C C 177.76 0.05 1 266 72 72 ALA CA C 52.641 0.1 1 267 72 72 ALA N N 127.08 0.05 1 268 73 73 GLU H H 8.506 0.01 1 269 73 73 GLU C C 176.237 0.05 1 270 73 73 GLU CA C 56.555 0.1 1 271 73 73 GLU N N 120.415 0.05 1 272 74 74 ASP H H 8.474 0.01 1 273 74 74 ASP C C 176.41 0.05 1 274 74 74 ASP CA C 54.293 0.1 1 275 74 74 ASP N N 121.99 0.05 1 276 75 75 VAL H H 8.265 0.01 1 277 75 75 VAL C C 176.478 0.05 1 278 75 75 VAL CA C 62.223 0.1 1 279 75 75 VAL N N 120.826 0.05 1 280 76 76 THR H H 8.417 0.01 1 281 76 76 THR C C 173.965 0.05 1 282 76 76 THR CA C 62.061 0.1 1 283 76 76 THR N N 119.031 0.05 1 284 77 77 ALA H H 8.417 0.01 1 285 77 77 ALA CA C 50.639 0.1 1 286 77 77 ALA N N 128.927 0.05 1 287 78 78 PRO C C 176.746 0.05 1 288 78 78 PRO CA C 62.792 0.1 1 289 79 79 LEU H H 8.514 0.01 1 290 79 79 LEU C C 177.559 0.05 1 291 79 79 LEU CA C 55.147 0.1 1 292 79 79 LEU N N 123.113 0.05 1 293 80 80 VAL H H 8.331 0.01 1 294 80 80 VAL C C 175.596 0.05 1 295 80 80 VAL CA C 62.126 0.1 1 296 80 80 VAL N N 122.249 0.05 1 297 81 81 ASP H H 8.585 0.01 1 298 81 81 ASP C C 176.431 0.05 1 299 81 81 ASP CA C 53.965 0.1 1 300 81 81 ASP N N 125.062 0.05 1 301 82 82 GLU H H 8.7 0.01 1 302 82 82 GLU C C 177.105 0.05 1 303 82 82 GLU CA C 57.084 0.1 1 304 82 82 GLU N N 123.406 0.05 1 305 83 83 GLY H H 8.601 0.01 1 306 83 83 GLY C C 173.689 0.05 1 307 83 83 GLY CA C 45.03 0.1 1 308 83 83 GLY N N 109.557 0.05 1 309 84 84 ALA H H 8.103 0.01 1 310 84 84 ALA CA C 50.891 0.1 1 311 84 84 ALA N N 124.896 0.05 1 312 85 85 PRO C C 177.952 0.05 1 313 85 85 PRO CA C 63.625 0.1 1 314 86 86 GLY H H 8.618 0.01 1 315 86 86 GLY C C 174.388 0.05 1 316 86 86 GLY CA C 45.195 0.1 1 317 86 86 GLY N N 109.231 0.05 1 318 87 87 LYS H H 8.231 0.01 1 319 87 87 LYS C C 176.889 0.05 1 320 87 87 LYS CA C 56.399 0.1 1 321 87 87 LYS N N 121.095 0.05 1 322 88 88 GLN H H 8.559 0.01 1 323 88 88 GLN C C 175.903 0.05 1 324 88 88 GLN CA C 55.748 0.1 1 325 88 88 GLN N N 122.102 0.05 1 326 89 89 ALA H H 8.526 0.01 1 327 89 89 ALA C C 177.592 0.05 1 328 89 89 ALA CA C 52.541 0.1 1 329 89 89 ALA N N 126.211 0.05 1 330 90 90 ALA H H 8.421 0.01 1 331 90 90 ALA C C 177.501 0.05 1 332 90 90 ALA CA C 52.286 0.1 1 333 90 90 ALA N N 123.776 0.05 1 334 91 91 ALA H H 8.399 0.01 1 335 91 91 ALA C C 177.627 0.05 1 336 91 91 ALA CA C 52.255 0.1 1 337 91 91 ALA N N 123.817 0.05 1 338 92 92 GLN H H 8.506 0.01 1 339 92 92 GLN CA C 53.488 0.1 1 340 92 92 GLN N N 121.243 0.05 1 341 93 93 PRO C C 176.645 0.05 1 342 93 93 PRO CA C 63.097 0.1 1 343 94 94 HIS H H 8.748 0.01 1 344 94 94 HIS C C 174.901 0.05 1 345 94 94 HIS CA C 55.77 0.1 1 346 94 94 HIS N N 119.962 0.05 1 347 95 95 THR H H 8.299 0.01 1 348 95 95 THR C C 174.061 0.05 1 349 95 95 THR CA C 61.809 0.1 1 350 95 95 THR N N 117.245 0.05 1 351 96 96 GLU H H 8.69 0.01 1 352 96 96 GLU C C 176.112 0.05 1 353 96 96 GLU CA C 56.226 0.1 1 354 96 96 GLU N N 124.243 0.05 1 355 97 97 ILE H H 8.494 0.01 1 356 97 97 ILE CA C 58.603 0.1 1 357 97 97 ILE N N 124.755 0.05 1 358 98 98 PRO C C 176.967 0.05 1 359 98 98 PRO CA C 63.149 0.1 1 360 99 99 GLU H H 8.75 0.01 1 361 99 99 GLU C C 177.272 0.05 1 362 99 99 GLU CA C 56.984 0.1 1 363 99 99 GLU N N 122.539 0.05 1 364 100 100 GLY H H 8.694 0.01 1 365 100 100 GLY C C 174.31 0.05 1 366 100 100 GLY CA C 45.271 0.1 1 367 100 100 GLY N N 110.928 0.05 1 368 101 101 THR H H 8.187 0.01 1 369 101 101 THR C C 174.78 0.05 1 370 101 101 THR CA C 61.885 0.1 1 371 101 101 THR N N 114.279 0.05 1 372 102 102 THR H H 8.449 0.01 1 373 102 102 THR C C 174.416 0.05 1 374 102 102 THR CA C 61.795 0.1 1 375 102 102 THR N N 117.304 0.05 1 376 103 103 ALA H H 8.613 0.01 1 377 103 103 ALA C C 178.033 0.05 1 378 103 103 ALA CA C 52.832 0.1 1 379 103 103 ALA N N 126.991 0.05 1 380 104 104 GLU H H 8.547 0.01 1 381 104 104 GLU C C 176.913 0.05 1 382 104 104 GLU CA C 56.874 0.1 1 383 104 104 GLU N N 120.555 0.05 1 384 105 105 GLU H H 8.489 0.01 1 385 105 105 GLU C C 176.389 0.05 1 386 105 105 GLU CA C 56.528 0.1 1 387 105 105 GLU N N 122.422 0.05 1 388 106 106 ALA H H 8.466 0.01 1 389 106 106 ALA C C 178.404 0.05 1 390 106 106 ALA CA C 52.817 0.1 1 391 106 106 ALA N N 125.452 0.05 1 392 107 107 GLY H H 8.497 0.01 1 393 107 107 GLY C C 174.435 0.05 1 394 107 107 GLY CA C 45.226 0.1 1 395 107 107 GLY N N 108.467 0.05 1 396 108 108 ILE H H 8.152 0.01 1 397 108 108 ILE C C 177.038 0.05 1 398 108 108 ILE CA C 61.491 0.1 1 399 108 108 ILE N N 119.944 0.05 1 400 109 109 GLY H H 8.63 0.01 1 401 109 109 GLY C C 173.841 0.05 1 402 109 109 GLY CA C 45.092 0.1 1 403 109 109 GLY N N 112.9 0.05 1 404 110 110 ASP H H 8.329 0.01 1 405 110 110 ASP C C 176.284 0.05 1 406 110 110 ASP CA C 54.328 0.1 1 407 110 110 ASP N N 120.722 0.05 1 408 111 111 THR H H 8.36 0.01 1 409 111 111 THR CA C 60.014 0.1 1 410 111 111 THR N N 117.453 0.05 1 411 112 112 PRO C C 176.915 0.05 1 412 112 112 PRO CA C 63.195 0.1 1 413 113 113 SER H H 8.724 0.01 1 414 113 113 SER C C 174.933 0.05 1 415 113 113 SER CA C 58.01 0.1 1 416 113 113 SER N N 117.305 0.05 1 417 114 114 LEU H H 8.635 0.01 1 418 114 114 LEU C C 178.137 0.05 1 419 114 114 LEU CA C 55.776 0.1 1 420 114 114 LEU N N 124.922 0.05 1 421 115 115 GLU H H 8.53 0.01 1 422 115 115 GLU C C 176.788 0.05 1 423 115 115 GLU CA C 57.194 0.1 1 424 115 115 GLU N N 121.049 0.05 1 425 116 116 ASP H H 8.342 0.01 1 426 116 116 ASP C C 177.139 0.05 1 427 116 116 ASP CA C 54.849 0.1 1 428 116 116 ASP N N 121.534 0.05 1 429 117 117 GLU H H 8.496 0.01 1 430 117 117 GLU C C 177.361 0.05 1 431 117 117 GLU CA C 57.605 0.1 1 432 117 117 GLU N N 122.282 0.05 1 433 118 118 ALA H H 8.342 0.01 1 434 118 118 ALA C C 178.393 0.05 1 435 118 118 ALA CA C 53.284 0.1 1 436 118 118 ALA N N 123.862 0.05 1 437 119 119 ALA H H 8.122 0.01 1 438 119 119 ALA C C 178.709 0.05 1 439 119 119 ALA CA C 53.163 0.1 1 440 119 119 ALA N N 121.963 0.05 1 441 120 120 GLY H H 8.263 0.01 1 442 120 120 GLY C C 174.315 0.05 1 443 120 120 GLY CA C 45.442 0.1 1 444 120 120 GLY N N 107.074 0.05 1 445 121 121 HIS H H 8.205 0.01 1 446 121 121 HIS C C 175.122 0.05 1 447 121 121 HIS CA C 55.892 0.1 1 448 121 121 HIS N N 118.783 0.05 1 449 122 122 VAL H H 8.243 0.01 1 450 122 122 VAL C C 176.574 0.05 1 451 122 122 VAL CA C 62.764 0.1 1 452 122 122 VAL N N 122.154 0.05 1 453 123 123 THR H H 8.439 0.01 1 454 123 123 THR C C 174.717 0.05 1 455 123 123 THR CA C 62.553 0.1 1 456 123 123 THR N N 119.167 0.05 1 457 124 124 GLN H H 8.553 0.01 1 458 124 124 GLN C C 175.974 0.05 1 459 124 124 GLN CA C 56.102 0.1 1 460 124 124 GLN N N 123.426 0.05 1 461 125 125 ALA H H 8.473 0.01 1 462 125 125 ALA C C 178.009 0.05 1 463 125 125 ALA CA C 52.866 0.1 1 464 125 125 ALA N N 125.351 0.05 1 465 126 126 ARG H H 8.379 0.01 1 466 126 126 ARG C C 176.509 0.05 1 467 126 126 ARG CA C 56.233 0.1 1 468 126 126 ARG N N 120.229 0.05 1 469 127 127 MET H H 8.478 0.01 1 470 127 127 MET C C 176.372 0.05 1 471 127 127 MET CA C 55.62 0.1 1 472 127 127 MET N N 122.221 0.05 1 473 128 128 VAL H H 8.329 0.01 1 474 128 128 VAL C C 176.288 0.05 1 475 128 128 VAL CA C 62.387 0.1 1 476 128 128 VAL N N 122.301 0.05 1 477 129 129 SER H H 8.547 0.01 1 478 129 129 SER C C 174.662 0.05 1 479 129 129 SER CA C 58.37 0.1 1 480 129 129 SER N N 120.219 0.05 1 481 130 130 LYS H H 8.595 0.01 1 482 130 130 LYS C C 176.82 0.05 1 483 130 130 LYS CA C 56.324 0.1 1 484 130 130 LYS N N 124.189 0.05 1 485 131 131 SER H H 8.493 0.01 1 486 131 131 SER C C 174.986 0.05 1 487 131 131 SER CA C 58.493 0.1 1 488 131 131 SER N N 117.513 0.05 1 489 132 132 LYS H H 8.642 0.01 1 490 132 132 LYS C C 176.597 0.05 1 491 132 132 LYS CA C 56.646 0.1 1 492 132 132 LYS N N 123.816 0.05 1 493 133 133 ASP H H 8.396 0.01 1 494 133 133 ASP C C 176.887 0.05 1 495 133 133 ASP CA C 54.364 0.1 1 496 133 133 ASP N N 121.028 0.05 1 497 134 134 GLY H H 8.481 0.01 1 498 134 134 GLY C C 174.884 0.05 1 499 134 134 GLY CA C 45.54 0.1 1 500 134 134 GLY N N 109.647 0.05 1 501 135 135 THR H H 8.314 0.01 1 502 135 135 THR C C 175.657 0.05 1 503 135 135 THR CA C 62.311 0.1 1 504 135 135 THR N N 113.146 0.05 1 505 136 136 GLY H H 8.717 0.01 1 506 136 136 GLY C C 174.521 0.05 1 507 136 136 GLY CA C 45.424 0.1 1 508 136 136 GLY N N 111.692 0.05 1 509 137 137 SER H H 8.392 0.01 1 510 137 137 SER C C 174.648 0.05 1 511 137 137 SER CA C 58.623 0.1 1 512 137 137 SER N N 115.996 0.05 1 513 138 138 ASP H H 8.593 0.01 1 514 138 138 ASP C C 176.233 0.05 1 515 138 138 ASP CA C 54.529 0.1 1 516 138 138 ASP N N 122.456 0.05 1 517 139 139 ASP H H 8.338 0.01 1 518 139 139 ASP C C 176.788 0.05 1 519 139 139 ASP CA C 54.715 0.1 1 520 139 139 ASP N N 121.152 0.05 1 521 140 140 LYS H H 8.365 0.01 1 522 140 140 LYS C C 177.186 0.05 1 523 140 140 LYS CA C 56.752 0.1 1 524 140 140 LYS N N 121.319 0.05 1 525 141 141 LYS H H 8.236 0.01 1 526 141 141 LYS C C 176.701 0.05 1 527 141 141 LYS CA C 56.472 0.1 1 528 141 141 LYS N N 121.358 0.05 1 529 142 142 ALA H H 8.314 0.01 1 530 142 142 ALA C C 177.936 0.05 1 531 142 142 ALA CA C 52.633 0.1 1 532 142 142 ALA N N 124.971 0.05 1 533 143 143 LYS H H 8.444 0.01 1 534 143 143 LYS C C 177.473 0.05 1 535 143 143 LYS CA C 56.397 0.1 1 536 143 143 LYS N N 120.963 0.05 1 537 144 144 GLY H H 8.541 0.01 1 538 144 144 GLY C C 174.322 0.05 1 539 144 144 GLY CA C 45.082 0.1 1 540 144 144 GLY N N 110.112 0.05 1 541 145 145 ALA H H 8.435 0.01 1 542 145 145 ALA C C 177.911 0.05 1 543 145 145 ALA CA C 52.94 0.1 1 544 145 145 ALA N N 124.141 0.05 1 545 146 146 ASP H H 8.445 0.01 1 546 146 146 ASP C C 177.092 0.05 1 547 146 146 ASP CA C 54.277 0.1 1 548 146 146 ASP N N 118.974 0.05 1 549 147 147 GLY H H 8.418 0.01 1 550 147 147 GLY C C 174.481 0.05 1 551 147 147 GLY CA C 45.624 0.1 1 552 147 147 GLY N N 109.169 0.05 1 553 148 148 LYS H H 8.233 0.01 1 554 148 148 LYS C C 177.054 0.05 1 555 148 148 LYS CA C 56.335 0.1 1 556 148 148 LYS N N 120.644 0.05 1 557 149 149 THR H H 8.357 0.01 1 558 149 149 THR C C 174.38 0.05 1 559 149 149 THR CA C 62.474 0.1 1 560 149 149 THR N N 116.575 0.05 1 561 150 150 LYS H H 8.547 0.01 1 562 150 150 LYS C C 176.294 0.05 1 563 150 150 LYS CA C 56.215 0.1 1 564 150 150 LYS N N 125.496 0.05 1 565 151 151 ILE H H 8.374 0.01 1 566 151 151 ILE C C 175.885 0.05 1 567 151 151 ILE CA C 60.806 0.1 1 568 151 151 ILE N N 123.792 0.05 1 569 152 152 ALA H H 8.618 0.01 1 570 152 152 ALA C C 177.494 0.05 1 571 152 152 ALA CA C 52.247 0.1 1 572 152 152 ALA N N 129.653 0.05 1 573 153 153 THR H H 8.423 0.01 1 574 153 153 THR CA C 59.983 0.1 1 575 153 153 THR N N 117.78 0.05 1 576 154 154 PRO C C 176.974 0.05 1 577 154 154 PRO CA C 63.2 0.1 1 578 155 155 ARG H H 8.696 0.01 1 579 155 155 ARG C C 177.131 0.05 1 580 155 155 ARG CA C 56.265 0.1 1 581 155 155 ARG N N 122.434 0.05 1 582 156 156 GLY H H 8.596 0.01 1 583 156 156 GLY C C 173.556 0.05 1 584 156 156 GLY CA C 44.985 0.1 1 585 156 156 GLY N N 110.788 0.05 1 586 157 157 ALA H H 8.267 0.01 1 587 157 157 ALA C C 177.295 0.05 1 588 157 157 ALA CA C 52.055 0.1 1 589 157 157 ALA N N 123.912 0.05 1 590 158 158 ALA H H 8.486 0.01 1 591 158 158 ALA CA C 50.419 0.1 1 592 158 158 ALA N N 125.453 0.05 1 593 160 160 PRO C C 177.739 0.05 1 594 160 160 PRO CA C 63.386 0.1 1 595 161 161 GLY H H 8.631 0.01 1 596 161 161 GLY C C 174.23 0.05 1 597 161 161 GLY CA C 45.195 0.1 1 598 161 161 GLY N N 109.249 0.05 1 599 162 162 GLN H H 8.314 0.01 1 600 162 162 GLN C C 176.264 0.05 1 601 162 162 GLN CA C 55.771 0.1 1 602 162 162 GLN N N 120.133 0.05 1 603 163 163 LYS H H 8.649 0.01 1 604 163 163 LYS C C 177.342 0.05 1 605 163 163 LYS CA C 56.728 0.1 1 606 163 163 LYS N N 123.459 0.05 1 607 164 164 GLY H H 8.646 0.01 1 608 164 164 GLY C C 174.163 0.05 1 609 164 164 GLY CA C 45.228 0.1 1 610 164 164 GLY N N 110.612 0.05 1 611 165 165 GLN H H 8.365 0.01 1 612 165 165 GLN C C 176.093 0.05 1 613 165 165 GLN CA C 55.664 0.1 1 614 165 165 GLN N N 120.117 0.05 1 615 166 166 ALA H H 8.604 0.01 1 616 166 166 ALA C C 177.741 0.05 1 617 166 166 ALA CA C 52.867 0.1 1 618 166 166 ALA N N 125.762 0.05 1 619 167 167 ASN H H 8.568 0.01 1 620 167 167 ASN C C 175.188 0.05 1 621 167 167 ASN CA C 53.272 0.1 1 622 167 167 ASN N N 118.062 0.05 1 623 168 168 ALA H H 8.379 0.01 1 624 168 168 ALA C C 177.952 0.05 1 625 168 168 ALA CA C 52.778 0.1 1 626 168 168 ALA N N 124.553 0.05 1 627 169 169 THR H H 8.289 0.01 1 628 169 169 THR C C 174.414 0.05 1 629 169 169 THR CA C 62.197 0.1 1 630 169 169 THR N N 114.303 0.05 1 631 170 170 ARG H H 8.46 0.01 1 632 170 170 ARG C C 175.974 0.05 1 633 170 170 ARG CA C 55.897 0.1 1 634 170 170 ARG N N 124.592 0.05 1 635 171 171 ILE H H 8.473 0.01 1 636 171 171 ILE CA C 58.623 0.1 1 637 171 171 ILE N N 125.351 0.05 1 638 172 172 PRO C C 176.495 0.05 1 639 172 172 PRO CA C 63.059 0.1 1 640 173 173 ALA H H 8.554 0.01 1 641 173 173 ALA C C 177.873 0.05 1 642 173 173 ALA CA C 52.314 0.1 1 643 173 173 ALA N N 125.035 0.05 1 644 174 174 LYS H H 8.527 0.01 1 645 174 174 LYS C C 176.678 0.05 1 646 174 174 LYS CA C 56.088 0.1 1 647 174 174 LYS N N 121.511 0.05 1 648 175 175 THR H H 8.431 0.01 1 649 175 175 THR CA C 60.02 0.1 1 650 175 175 THR N N 119.49 0.05 1 651 177 177 PRO C C 176.223 0.05 1 652 177 177 PRO CA C 62.629 0.1 1 653 178 178 ALA H H 8.549 0.01 1 654 178 178 ALA CA C 50.388 0.1 1 655 178 178 ALA N N 126.069 0.05 1 656 179 179 PRO C C 176.919 0.05 1 657 179 179 PRO CA C 62.794 0.1 1 658 180 180 LYS H H 8.645 0.01 1 659 180 180 LYS C C 176.778 0.05 1 660 180 180 LYS CA C 56.195 0.1 1 661 180 180 LYS N N 122.389 0.05 1 662 181 181 THR H H 8.388 0.01 1 663 181 181 THR CA C 59.939 0.1 1 664 181 181 THR N N 118.973 0.05 1 665 183 183 PRO C C 177.062 0.05 1 666 183 183 PRO CA C 62.954 0.1 1 667 184 184 SER H H 8.652 0.01 1 668 184 184 SER C C 174.911 0.05 1 669 184 184 SER CA C 58.317 0.1 1 670 184 184 SER N N 116.767 0.05 1 671 185 185 SER H H 8.591 0.01 1 672 185 185 SER C C 174.957 0.05 1 673 185 185 SER CA C 58.474 0.1 1 674 185 185 SER N N 118.193 0.05 1 675 186 186 GLY H H 8.487 0.01 1 676 186 186 GLY C C 173.758 0.05 1 677 186 186 GLY CA C 44.963 0.1 1 678 186 186 GLY N N 110.879 0.05 1 679 187 187 GLU H H 8.341 0.01 1 680 187 187 GLU CA C 54.293 0.1 1 681 187 187 GLU N N 122.01 0.05 1 682 189 189 PRO C C 177.032 0.05 1 683 189 189 PRO CA C 62.803 0.1 1 684 190 190 LYS H H 8.683 0.01 1 685 190 190 LYS C C 176.979 0.05 1 686 190 190 LYS CA C 56.222 0.1 1 687 190 190 LYS N N 122.4 0.05 1 688 191 191 SER H H 8.543 0.01 1 689 191 191 SER C C 175.22 0.05 1 690 191 191 SER CA C 58.546 0.1 1 691 191 191 SER N N 117.299 0.05 1 692 192 192 GLY H H 8.629 0.01 1 693 192 192 GLY C C 173.968 0.05 1 694 192 192 GLY CA C 45.231 0.1 1 695 192 192 GLY N N 111.219 0.05 1 696 193 193 ASP H H 8.323 0.01 1 697 193 193 ASP C C 176.79 0.05 1 698 193 193 ASP CA C 54.328 0.1 1 699 193 193 ASP N N 120.623 0.05 1 700 194 194 ARG H H 8.634 0.01 1 701 194 194 ARG C C 176.788 0.05 1 702 194 194 ARG CA C 55.996 0.1 1 703 194 194 ARG N N 122.469 0.05 1 704 195 195 SER H H 8.545 0.01 1 705 195 195 SER C C 175.33 0.05 1 706 195 195 SER CA C 59.371 0.1 1 707 195 195 SER N N 117.326 0.05 1 708 196 196 GLY H H 8.573 0.01 1 709 196 196 GLY C C 173.914 0.05 1 710 196 196 GLY CA C 45.249 0.1 1 711 196 196 GLY N N 110.923 0.05 1 712 197 197 TYR H H 8.119 0.01 1 713 197 197 TYR C C 175.828 0.05 1 714 197 197 TYR CA C 58.053 0.1 1 715 197 197 TYR N N 120.438 0.05 1 716 198 198 SER H H 8.255 0.01 1 717 198 198 SER C C 173.614 0.05 1 718 198 198 SER CA C 57.861 0.1 1 719 198 198 SER N N 118.636 0.05 1 720 199 199 SER H H 8.45 0.01 1 721 199 199 SER CA C 56.499 0.1 1 722 199 199 SER N N 119.262 0.05 1 723 200 200 PRO C C 177.575 0.05 1 724 200 200 PRO CA C 63.793 0.1 1 725 201 201 GLY H H 8.588 0.01 1 726 201 201 GLY C C 173.953 0.05 1 727 201 201 GLY CA C 45.025 0.1 1 728 201 201 GLY N N 109.697 0.05 1 729 202 202 SER H H 8.263 0.01 1 730 202 202 SER CA C 56.554 0.1 1 731 202 202 SER N N 117.029 0.05 1 732 203 203 PRO C C 177.552 0.05 1 733 203 203 PRO CA C 63.793 0.1 1 734 204 204 GLY H H 8.59 0.01 1 735 204 204 GLY C C 174.06 0.05 1 736 204 204 GLY CA C 45.387 0.1 1 737 204 204 GLY N N 109.521 0.05 1 738 205 205 THR H H 8.191 0.01 1 739 205 205 THR CA C 59.888 0.1 1 740 205 205 THR N N 115.916 0.05 1 741 206 206 PRO C C 177.792 0.05 1 742 206 206 PRO CA C 63.95 0.1 1 743 207 207 GLY H H 8.731 0.01 1 744 207 207 GLY C C 174.489 0.05 1 745 207 207 GLY CA C 45.273 0.1 1 746 207 207 GLY N N 109.921 0.05 1 747 208 208 SER H H 8.273 0.01 1 748 208 208 SER C C 174.985 0.05 1 749 208 208 SER CA C 58.65 0.1 1 750 208 208 SER N N 115.912 0.05 1 751 209 209 ARG H H 8.594 0.01 1 752 209 209 ARG C C 176.556 0.05 1 753 209 209 ARG CA C 56.131 0.1 1 754 209 209 ARG N N 123.245 0.05 1 755 210 210 SER H H 8.448 0.01 1 756 210 210 SER C C 174.565 0.05 1 757 210 210 SER CA C 58.462 0.1 1 758 210 210 SER N N 117.231 0.05 1 759 211 211 ARG H H 8.579 0.01 1 760 211 211 ARG C C 176.355 0.05 1 761 211 211 ARG CA C 56.048 0.1 1 762 211 211 ARG N N 123.448 0.05 1 763 212 212 THR H H 8.44 0.01 1 764 212 212 THR CA C 60.026 0.1 1 765 212 212 THR N N 118.973 0.05 1 766 213 213 PRO C C 176.833 0.05 1 767 213 213 PRO CA C 63.232 0.1 1 768 214 214 SER H H 8.603 0.01 1 769 214 214 SER C C 174.168 0.05 1 770 214 214 SER CA C 58.26 0.1 1 771 214 214 SER N N 117.301 0.05 1 772 215 215 LEU H H 8.478 0.01 1 773 215 215 LEU CA C 52.974 0.1 1 774 215 215 LEU N N 125.81 0.05 1 775 216 216 PRO C C 176.827 0.05 1 776 216 216 PRO CA C 62.856 0.1 1 777 217 217 THR H H 8.524 0.01 1 778 217 217 THR CA C 60.112 0.1 1 779 217 217 THR N N 118.73 0.05 1 780 219 219 PRO C C 177.053 0.05 1 781 219 219 PRO CA C 62.886 0.1 1 782 220 220 THR H H 8.431 0.01 1 783 220 220 THR C C 174.477 0.05 1 784 220 220 THR CA C 62.015 0.1 1 785 220 220 THR N N 115.644 0.05 1 786 221 221 ARG H H 8.563 0.01 1 787 221 221 ARG C C 175.939 0.05 1 788 221 221 ARG CA C 55.74 0.1 1 789 221 221 ARG N N 124.192 0.05 1 790 222 222 GLU H H 8.617 0.01 1 791 222 222 GLU CA C 54.356 0.1 1 792 222 222 GLU N N 124.448 0.05 1 793 223 223 PRO C C 176.784 0.05 1 794 223 223 PRO CA C 62.92 0.1 1 795 224 224 LYS H H 8.567 0.01 1 796 224 224 LYS C C 176.712 0.05 1 797 224 224 LYS CA C 56.371 0.1 1 798 224 224 LYS N N 122.298 0.05 1 799 225 225 LYS H H 8.565 0.01 1 800 225 225 LYS C C 176.481 0.05 1 801 225 225 LYS CA C 56.208 0.1 1 802 225 225 LYS N N 124.313 0.05 1 803 226 226 VAL H H 8.385 0.01 1 804 226 226 VAL C C 175.731 0.05 1 805 226 226 VAL CA C 62.028 0.1 1 806 226 226 VAL N N 123.322 0.05 1 807 227 227 ALA H H 8.567 0.01 1 808 227 227 ALA C C 177.498 0.05 1 809 227 227 ALA CA C 52.271 0.1 1 810 227 227 ALA N N 129.215 0.05 1 811 228 228 VAL H H 8.38 0.01 1 812 228 228 VAL C C 176.163 0.05 1 813 228 228 VAL CA C 62.319 0.1 1 814 228 228 VAL N N 121.634 0.05 1 815 229 229 VAL H H 8.511 0.01 1 816 229 229 VAL C C 175.997 0.05 1 817 229 229 VAL CA C 62.28 0.1 1 818 229 229 VAL N N 126.619 0.05 1 819 230 230 ARG H H 8.71 0.01 1 820 230 230 ARG C C 176.134 0.05 1 821 230 230 ARG CA C 55.729 0.1 1 822 230 230 ARG N N 126.881 0.05 1 823 231 231 THR H H 8.482 0.01 1 824 231 231 THR CA C 59.975 0.1 1 825 231 231 THR N N 119.837 0.05 1 826 233 233 PRO C C 176.72 0.05 1 827 233 233 PRO CA C 63.139 0.1 1 828 234 234 LYS H H 8.612 0.01 1 829 234 234 LYS C C 176.689 0.05 1 830 234 234 LYS CA C 56.014 0.1 1 831 234 234 LYS N N 122.053 0.05 1 832 235 235 SER H H 8.626 0.01 1 833 235 235 SER CA C 56.479 0.1 1 834 235 235 SER N N 119.612 0.05 1 835 236 236 PRO C C 177.049 0.05 1 836 236 236 PRO CA C 63.388 0.1 1 837 237 237 SER H H 8.502 0.01 1 838 237 237 SER C C 174.553 0.05 1 839 237 237 SER CA C 58.362 0.1 1 840 237 237 SER N N 115.789 0.05 1 841 238 238 SER H H 8.387 0.01 1 842 238 238 SER C C 173.26 0.05 1 843 238 238 SER CA C 58.311 0.1 1 844 238 238 SER N N 118.626 0.05 1 845 239 239 ALA H H 8.143 0.01 1 846 239 239 ALA CA C 54.051 0.1 1 847 239 239 ALA N N 131.586 0.05 1 stop_ save_