data_17599 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Par-6 Q144C/L164C ; _BMRB_accession_number 17599 _BMRB_flat_file_name bmr17599.str _Entry_type original _Submission_date 2011-04-25 _Accession_date 2011-04-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman B. F. . 2 Whitney D. S. . 3 Peterson F. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 695 "13C chemical shifts" 529 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17600 'Solution structure of the isolated Par-6 PDZ domain' stop_ _Original_release_date 2011-12-01 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Conformational Switch in the CRIB-PDZ Module of Par-6' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22078569 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Whitney Dustin S. . 2 Peterson Francis C. . 3 Volkman Brian F. . stop_ _Journal_abbreviation Structure _Journal_volume 19 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1711 _Page_last 1722 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Par-6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Par-6 $Par-6 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_Par-6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Par-6 _Molecular_mass 13724.863 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSKTKAPSISIPHDFRCVSA IIDVDIVPETHRRVRLCKHG SDKPLGFYIRDGTSVRVTAS GLEKQPGIFISRLVPGGLAE STGLLAVNDEVIEVNGIEVA GKTLDQVTDMMVANSSNLII TVKPANQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 128 GLY 2 129 SER 3 130 LYS 4 131 THR 5 132 LYS 6 133 ALA 7 134 PRO 8 135 SER 9 136 ILE 10 137 SER 11 138 ILE 12 139 PRO 13 140 HIS 14 141 ASP 15 142 PHE 16 143 ARG 17 144 CYS 18 145 VAL 19 146 SER 20 147 ALA 21 148 ILE 22 149 ILE 23 150 ASP 24 151 VAL 25 152 ASP 26 153 ILE 27 154 VAL 28 155 PRO 29 156 GLU 30 157 THR 31 158 HIS 32 159 ARG 33 160 ARG 34 161 VAL 35 162 ARG 36 163 LEU 37 164 CYS 38 165 LYS 39 166 HIS 40 167 GLY 41 168 SER 42 169 ASP 43 170 LYS 44 171 PRO 45 172 LEU 46 173 GLY 47 174 PHE 48 175 TYR 49 176 ILE 50 177 ARG 51 178 ASP 52 179 GLY 53 180 THR 54 181 SER 55 182 VAL 56 183 ARG 57 184 VAL 58 185 THR 59 186 ALA 60 187 SER 61 188 GLY 62 189 LEU 63 190 GLU 64 191 LYS 65 192 GLN 66 193 PRO 67 194 GLY 68 195 ILE 69 196 PHE 70 197 ILE 71 198 SER 72 199 ARG 73 200 LEU 74 201 VAL 75 202 PRO 76 203 GLY 77 204 GLY 78 205 LEU 79 206 ALA 80 207 GLU 81 208 SER 82 209 THR 83 210 GLY 84 211 LEU 85 212 LEU 86 213 ALA 87 214 VAL 88 215 ASN 89 216 ASP 90 217 GLU 91 218 VAL 92 219 ILE 93 220 GLU 94 221 VAL 95 222 ASN 96 223 GLY 97 224 ILE 98 225 GLU 99 226 VAL 100 227 ALA 101 228 GLY 102 229 LYS 103 230 THR 104 231 LEU 105 232 ASP 106 233 GLN 107 234 VAL 108 235 THR 109 236 ASP 110 237 MET 111 238 MET 112 239 VAL 113 240 ALA 114 241 ASN 115 242 SER 116 243 SER 117 244 ASN 118 245 LEU 119 246 ILE 120 247 ILE 121 248 THR 122 249 VAL 123 250 LYS 124 251 PRO 125 252 ALA 126 253 ASN 127 254 GLN 128 255 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 BMRB 17600 Par-6 78.13 102 99.00 99.00 2.32e-63 PDB 1RY4 "Nmr Structure Of The Crib-Pdz Module Of Par-6" 100.00 128 98.44 98.44 1.28e-83 PDB 1RZX "Crystal Structure Of A Par-6 Pdz-Peptide Complex" 76.56 98 98.98 98.98 9.95e-62 PDB 1X8S "Structure Of The Par-6 Pdz Domain With A Pals1 Internal Ligand" 78.13 102 99.00 99.00 2.32e-63 PDB 2LC6 "Solution Structure Of Par-6 Q144cL164C" 100.00 128 100.00 100.00 2.83e-86 PDB 2LC7 "Solution Structure Of The Isolated Par-6 Pdz Domain" 78.13 102 99.00 99.00 2.32e-63 GB AAD15927 "PAR-6 [Drosophila melanogaster]" 98.44 351 98.41 98.41 3.35e-80 GB AAF48757 "par-6, isoform A [Drosophila melanogaster]" 98.44 351 98.41 98.41 3.35e-80 GB AAL28917 "LD29223p [Drosophila melanogaster]" 98.44 351 98.41 98.41 3.35e-80 GB AAN09592 "par-6, isoform B [Drosophila melanogaster]" 98.44 351 98.41 98.41 3.35e-80 GB ACL90845 "par-6-PA [synthetic construct]" 98.44 351 98.41 98.41 3.35e-80 REF NP_573238 "par-6, isoform A [Drosophila melanogaster]" 98.44 351 98.41 98.41 3.35e-80 REF NP_728094 "par-6, isoform B [Drosophila melanogaster]" 98.44 351 98.41 98.41 3.35e-80 REF XP_001963708 "GF21116 [Drosophila ananassae]" 98.44 355 98.41 98.41 2.80e-80 REF XP_001977590 "GG19128 [Drosophila erecta]" 98.44 351 98.41 98.41 5.94e-80 REF XP_001991396 "GH12629 [Drosophila grimshawi]" 98.44 347 98.41 98.41 3.35e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Par-6 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster Par-6 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 $Par-6 'recombinant technology' . Escherichia coli BL21(DE3) pBH4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM Par-6 Q144C/L164C U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Par-6 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TopSpin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 53 . mM pH 5.5 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' 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 Par-6 _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 1 130 3 LYS HA H 4.449 0.02 1 2 130 3 LYS HB2 H 1.873 0.02 1 3 130 3 LYS HB3 H 1.873 0.02 1 4 130 3 LYS HG2 H 1.485 0.02 1 5 130 3 LYS HG3 H 1.485 0.02 1 6 130 3 LYS HD2 H 1.713 0.02 1 7 130 3 LYS HD3 H 1.713 0.02 1 8 130 3 LYS HE2 H 3.032 0.02 1 9 130 3 LYS HE3 H 3.032 0.02 1 10 130 3 LYS C C 176.911 0.1 1 11 130 3 LYS CA C 56.637 0.1 1 12 130 3 LYS CB C 33.127 0.1 1 13 130 3 LYS CG C 25.035 0.1 1 14 130 3 LYS CD C 29.566 0.1 1 15 130 3 LYS CE C 42.514 0.1 1 16 131 4 THR H H 8.154 0.02 1 17 131 4 THR HA H 4.335 0.02 1 18 131 4 THR HB H 4.171 0.02 1 19 131 4 THR HG2 H 1.204 0.02 1 20 131 4 THR C C 174.346 0.1 1 21 131 4 THR CA C 62.584 0.1 1 22 131 4 THR CB C 70.181 0.1 1 23 131 4 THR CG2 C 21.797 0.1 1 24 131 4 THR N N 116.054 0.1 1 25 132 5 LYS H H 8.361 0.02 1 26 132 5 LYS HA H 4.303 0.02 1 27 132 5 LYS HB2 H 1.816 0.02 2 28 132 5 LYS HB3 H 1.704 0.02 2 29 132 5 LYS HG2 H 1.424 0.02 1 30 132 5 LYS HG3 H 1.424 0.02 1 31 132 5 LYS HD2 H 1.710 0.02 1 32 132 5 LYS HD3 H 1.710 0.02 1 33 132 5 LYS HE2 H 3.002 0.02 1 34 132 5 LYS HE3 H 3.002 0.02 1 35 132 5 LYS C C 175.902 0.1 1 36 132 5 LYS CA C 56.326 0.1 1 37 132 5 LYS CB C 33.423 0.1 1 38 132 5 LYS CG C 24.711 0.1 1 39 132 5 LYS CD C 29.243 0.1 1 40 132 5 LYS CE C 38.954 0.1 1 41 132 5 LYS N N 124.682 0.1 1 42 133 6 ALA H H 8.367 0.02 1 43 133 6 ALA C C 175.599 0.1 1 44 133 6 ALA N N 127.558 0.1 1 45 134 7 PRO HA H 4.525 0.02 1 46 134 7 PRO HB2 H 2.325 0.02 2 47 134 7 PRO HB3 H 1.954 0.02 2 48 134 7 PRO HG2 H 2.008 0.02 1 49 134 7 PRO HG3 H 2.008 0.02 1 50 134 7 PRO HD2 H 3.776 0.02 2 51 134 7 PRO HD3 H 3.651 0.02 2 52 134 7 PRO C C 177.036 0.1 1 53 134 7 PRO CA C 63.257 0.1 1 54 134 7 PRO CB C 32.220 0.1 1 55 134 7 PRO CG C 27.647 0.1 1 56 134 7 PRO CD C 50.607 0.1 1 57 135 8 SER H H 8.406 0.02 1 58 135 8 SER HA H 4.468 0.02 1 59 135 8 SER HB2 H 3.867 0.02 1 60 135 8 SER HB3 H 3.867 0.02 1 61 135 8 SER C C 174.598 0.1 1 62 135 8 SER CA C 59.004 0.1 1 63 135 8 SER CB C 64.668 0.1 1 64 135 8 SER N N 116.480 0.1 1 65 136 9 ILE H H 8.159 0.02 1 66 136 9 ILE HA H 4.264 0.02 1 67 136 9 ILE HB H 1.877 0.02 1 68 136 9 ILE HG12 H 1.473 0.02 2 69 136 9 ILE HG13 H 1.181 0.02 2 70 136 9 ILE HG2 H 0.924 0.02 1 71 136 9 ILE HD1 H 0.883 0.02 1 72 136 9 ILE C C 176.162 0.1 1 73 136 9 ILE CA C 61.328 0.1 1 74 136 9 ILE CB C 39.249 0.1 1 75 136 9 ILE CG1 C 27.538 0.1 1 76 136 9 ILE CG2 C 17.787 0.1 1 77 136 9 ILE CD1 C 13.714 0.1 1 78 136 9 ILE N N 122.382 0.1 1 79 137 10 SER H H 8.384 0.02 1 80 137 10 SER HA H 4.544 0.02 1 81 137 10 SER HB2 H 3.911 0.02 1 82 137 10 SER HB3 H 3.911 0.02 1 83 137 10 SER C C 173.980 0.1 1 84 137 10 SER CA C 59.000 0.1 1 85 137 10 SER CB C 64.834 0.1 1 86 137 10 SER N N 120.306 0.1 1 87 138 11 ILE H H 8.198 0.02 1 88 138 11 ILE HA H 4.472 0.02 1 89 138 11 ILE HB H 1.830 0.02 1 90 138 11 ILE HG12 H 1.148 0.02 2 91 138 11 ILE HG13 H 1.470 0.02 2 92 138 11 ILE HG2 H 0.883 0.02 1 93 138 11 ILE HD1 H 0.833 0.02 1 94 138 11 ILE C C 174.627 0.1 1 95 138 11 ILE CA C 59.023 0.1 1 96 138 11 ILE CB C 38.954 0.1 1 97 138 11 ILE CG1 C 27.045 0.1 1 98 138 11 ILE CG2 C 17.266 0.1 1 99 138 11 ILE CD1 C 12.734 0.1 1 100 138 11 ILE N N 124.822 0.1 1 101 139 12 PRO HA H 4.402 0.02 1 102 139 12 PRO HB2 H 2.269 0.02 2 103 139 12 PRO HB3 H 1.881 0.02 2 104 139 12 PRO HG2 H 2.003 0.02 1 105 139 12 PRO HG3 H 2.003 0.02 1 106 139 12 PRO HD2 H 3.630 0.02 2 107 139 12 PRO HD3 H 3.861 0.02 2 108 139 12 PRO C C 176.929 0.1 1 109 139 12 PRO CA C 63.319 0.1 1 110 139 12 PRO CB C 32.402 0.1 1 111 139 12 PRO CG C 27.647 0.1 1 112 139 12 PRO CD C 51.254 0.1 1 113 140 13 HIS H H 8.384 0.02 1 114 140 13 HIS HA H 4.518 0.02 1 115 140 13 HIS HB2 H 3.084 0.02 1 116 140 13 HIS HB3 H 3.084 0.02 1 117 140 13 HIS HD2 H 7.036 0.02 1 118 140 13 HIS HE1 H 8.038 0.02 1 119 140 13 HIS C C 174.865 0.1 1 120 140 13 HIS CA C 56.811 0.1 1 121 140 13 HIS CB C 30.397 0.1 1 122 140 13 HIS CD2 C 120.397 0.1 1 123 140 13 HIS CE1 C 138.005 0.1 1 124 140 13 HIS N N 119.631 0.1 1 125 141 14 ASP H H 8.248 0.02 1 126 141 14 ASP HA H 4.547 0.02 1 127 141 14 ASP HB2 H 2.575 0.02 1 128 141 14 ASP HB3 H 2.575 0.02 1 129 141 14 ASP C C 175.833 0.1 1 130 141 14 ASP CA C 54.152 0.1 1 131 141 14 ASP CB C 41.222 0.1 1 132 141 14 ASP N N 120.835 0.1 1 133 142 15 PHE H H 8.082 0.02 1 134 142 15 PHE HA H 4.531 0.02 1 135 142 15 PHE HB2 H 3.076 0.02 1 136 142 15 PHE HB3 H 3.076 0.02 1 137 142 15 PHE HD1 H 7.227 0.02 1 138 142 15 PHE HD2 H 7.227 0.02 1 139 142 15 PHE HE1 H 7.359 0.02 1 140 142 15 PHE HE2 H 7.359 0.02 1 141 142 15 PHE C C 175.527 0.1 1 142 142 15 PHE CA C 58.363 0.1 1 143 142 15 PHE CB C 39.601 0.1 1 144 142 15 PHE CD1 C 132.309 0.1 1 145 142 15 PHE CE1 C 131.791 0.1 1 146 142 15 PHE N N 121.185 0.1 1 147 143 16 ARG H H 8.056 0.02 1 148 143 16 ARG HA H 4.232 0.02 1 149 143 16 ARG HB2 H 1.695 0.02 1 150 143 16 ARG HB3 H 1.695 0.02 1 151 143 16 ARG HG2 H 1.486 0.02 1 152 143 16 ARG HG3 H 1.486 0.02 1 153 143 16 ARG HD2 H 3.118 0.02 1 154 143 16 ARG HD3 H 3.118 0.02 1 155 143 16 ARG C C 175.018 0.1 1 156 143 16 ARG CA C 55.786 0.1 1 157 143 16 ARG CB C 30.800 0.1 1 158 143 16 ARG CG C 27.292 0.1 1 159 143 16 ARG CD C 43.509 0.1 1 160 143 16 ARG N N 123.498 0.1 1 161 144 17 CYS H H 8.275 0.02 1 162 144 17 CYS HA H 4.424 0.02 1 163 144 17 CYS HB2 H 3.135 0.02 2 164 144 17 CYS HB3 H 2.850 0.02 2 165 144 17 CYS C C 175.388 0.1 1 166 144 17 CYS CA C 57.907 0.1 1 167 144 17 CYS CB C 39.004 0.1 1 168 144 17 CYS N N 120.924 0.1 1 169 145 18 VAL H H 8.151 0.02 1 170 145 18 VAL HA H 4.314 0.02 1 171 145 18 VAL HB H 1.930 0.02 1 172 145 18 VAL HG1 H 0.953 0.02 2 173 145 18 VAL HG2 H 0.928 0.02 2 174 145 18 VAL C C 175.938 0.1 1 175 145 18 VAL CA C 61.926 0.1 1 176 145 18 VAL CB C 34.699 0.1 1 177 145 18 VAL CG1 C 21.066 0.1 1 178 145 18 VAL CG2 C 21.066 0.1 1 179 145 18 VAL N N 127.748 0.1 1 180 146 19 SER H H 8.802 0.02 1 181 146 19 SER HA H 4.899 0.02 1 182 146 19 SER HB2 H 3.990 0.02 1 183 146 19 SER HB3 H 3.990 0.02 1 184 146 19 SER C C 174.240 0.1 1 185 146 19 SER CA C 59.841 0.1 1 186 146 19 SER CB C 63.530 0.1 1 187 146 19 SER N N 128.141 0.1 1 188 147 20 ALA H H 8.754 0.02 1 189 147 20 ALA HA H 4.569 0.02 1 190 147 20 ALA HB H 1.346 0.02 1 191 147 20 ALA C C 175.742 0.1 1 192 147 20 ALA CA C 52.615 0.1 1 193 147 20 ALA CB C 23.131 0.1 1 194 147 20 ALA N N 127.076 0.1 1 195 148 21 ILE H H 8.306 0.02 1 196 148 21 ILE HA H 4.638 0.02 1 197 148 21 ILE HB H 1.679 0.02 1 198 148 21 ILE HG12 H 1.774 0.02 1 199 148 21 ILE HG13 H 1.774 0.02 1 200 148 21 ILE HG2 H 1.012 0.02 1 201 148 21 ILE HD1 H 0.901 0.02 1 202 148 21 ILE C C 176.824 0.1 1 203 148 21 ILE CA C 62.584 0.1 1 204 148 21 ILE CB C 38.734 0.1 1 205 148 21 ILE CG1 C 29.566 0.1 1 206 148 21 ILE CG2 C 18.237 0.1 1 207 148 21 ILE CD1 C 13.705 0.1 1 208 148 21 ILE N N 120.900 0.1 1 209 149 22 ILE H H 8.826 0.02 1 210 149 22 ILE HA H 4.878 0.02 1 211 149 22 ILE HB H 1.908 0.02 1 212 149 22 ILE HG2 H 0.866 0.02 1 213 149 22 ILE HD1 H 0.752 0.02 1 214 149 22 ILE C C 174.294 0.1 1 215 149 22 ILE CA C 59.832 0.1 1 216 149 22 ILE CB C 42.478 0.1 1 217 149 22 ILE CG2 C 17.913 0.1 1 218 149 22 ILE CD1 C 14.676 0.1 1 219 149 22 ILE N N 121.360 0.1 1 220 150 23 ASP H H 8.532 0.02 1 221 150 23 ASP HA H 4.352 0.02 1 222 150 23 ASP HB2 H 3.002 0.02 2 223 150 23 ASP HB3 H 2.741 0.02 2 224 150 23 ASP C C 176.859 0.1 1 225 150 23 ASP CA C 55.554 0.1 1 226 150 23 ASP CB C 39.300 0.1 1 227 150 23 ASP N N 115.507 0.1 1 228 151 24 VAL H H 7.913 0.02 1 229 151 24 VAL HA H 3.692 0.02 1 230 151 24 VAL HB H 2.112 0.02 1 231 151 24 VAL HG1 H 0.970 0.02 2 232 151 24 VAL HG2 H 0.994 0.02 2 233 151 24 VAL C C 176.931 0.1 1 234 151 24 VAL CA C 65.537 0.1 1 235 151 24 VAL CB C 31.711 0.1 1 236 151 24 VAL CG1 C 21.766 0.1 1 237 151 24 VAL CG2 C 21.766 0.1 1 238 151 24 VAL N N 114.410 0.1 1 239 152 25 ASP H H 8.865 0.02 1 240 152 25 ASP HA H 4.552 0.02 1 241 152 25 ASP HB2 H 2.738 0.02 2 242 152 25 ASP HB3 H 2.675 0.02 2 243 152 25 ASP C C 176.752 0.1 1 244 152 25 ASP CA C 55.138 0.1 1 245 152 25 ASP CB C 40.037 0.1 1 246 152 25 ASP N N 115.271 0.1 1 247 153 26 ILE H H 7.496 0.02 1 248 153 26 ILE HA H 4.417 0.02 1 249 153 26 ILE HB H 1.938 0.02 1 250 153 26 ILE HG12 H 1.361 0.02 2 251 153 26 ILE HG13 H 1.008 0.02 2 252 153 26 ILE HG2 H 0.845 0.02 1 253 153 26 ILE HD1 H 0.798 0.02 1 254 153 26 ILE C C 176.189 0.1 1 255 153 26 ILE CA C 61.989 0.1 1 256 153 26 ILE CB C 40.667 0.1 1 257 153 26 ILE CG1 C 27.300 0.1 1 258 153 26 ILE CG2 C 17.617 0.1 1 259 153 26 ILE CD1 C 13.266 0.1 1 260 153 26 ILE N N 114.435 0.1 1 261 154 27 VAL H H 7.496 0.02 1 262 154 27 VAL HA H 4.477 0.02 1 263 154 27 VAL HB H 2.141 0.02 1 264 154 27 VAL HG1 H 1.052 0.02 2 265 154 27 VAL HG2 H 1.013 0.02 2 266 154 27 VAL C C 174.032 0.1 1 267 154 27 VAL CA C 59.994 0.1 1 268 154 27 VAL CB C 32.800 0.1 1 269 154 27 VAL CG1 C 21.797 0.1 1 270 154 27 VAL CG2 C 21.066 0.1 1 271 154 27 VAL N N 120.655 0.1 1 272 155 28 PRO HA H 4.400 0.02 1 273 155 28 PRO HB2 H 1.562 0.02 2 274 155 28 PRO HB3 H 2.266 0.02 2 275 155 28 PRO HG2 H 1.787 0.02 1 276 155 28 PRO HG3 H 1.787 0.02 1 277 155 28 PRO HD2 H 3.753 0.02 2 278 155 28 PRO HD3 H 3.338 0.02 2 279 155 28 PRO C C 177.302 0.1 1 280 155 28 PRO CA C 63.214 0.1 1 281 155 28 PRO CB C 32.603 0.1 1 282 155 28 PRO CG C 27.624 0.1 1 283 155 28 PRO CD C 50.931 0.1 1 284 156 29 GLU H H 8.802 0.02 1 285 156 29 GLU HA H 4.254 0.02 1 286 156 29 GLU HB2 H 2.150 0.02 1 287 156 29 GLU HB3 H 2.150 0.02 1 288 156 29 GLU HG2 H 2.378 0.02 1 289 156 29 GLU HG3 H 2.378 0.02 1 290 156 29 GLU C C 176.922 0.1 1 291 156 29 GLU CA C 59.075 0.1 1 292 156 29 GLU CB C 29.777 0.1 1 293 156 29 GLU CG C 36.364 0.1 1 294 156 29 GLU N N 119.208 0.1 1 295 157 30 THR H H 7.370 0.02 1 296 157 30 THR HA H 4.205 0.02 1 297 157 30 THR HB H 4.109 0.02 1 298 157 30 THR HG2 H 1.290 0.02 1 299 157 30 THR C C 173.996 0.1 1 300 157 30 THR CA C 62.433 0.1 1 301 157 30 THR CB C 70.124 0.1 1 302 157 30 THR CG2 C 22.460 0.1 1 303 157 30 THR N N 107.534 0.1 1 304 158 31 HIS H H 8.387 0.02 1 305 158 31 HIS HA H 5.423 0.02 1 306 158 31 HIS HB2 H 2.986 0.02 2 307 158 31 HIS HB3 H 2.750 0.02 2 308 158 31 HIS HD2 H 6.654 0.02 1 309 158 31 HIS HE1 H 7.702 0.02 1 310 158 31 HIS C C 174.392 0.1 1 311 158 31 HIS CA C 54.450 0.1 1 312 158 31 HIS CB C 34.400 0.1 1 313 158 31 HIS CD2 C 118.584 0.1 1 314 158 31 HIS CE1 C 139.041 0.1 1 315 158 31 HIS N N 120.928 0.1 1 316 159 32 ARG H H 9.170 0.02 1 317 159 32 ARG HA H 4.525 0.02 1 318 159 32 ARG HB2 H 1.776 0.02 2 319 159 32 ARG HB3 H 1.544 0.02 2 320 159 32 ARG HG2 H 1.399 0.02 2 321 159 32 ARG HG3 H 1.655 0.02 2 322 159 32 ARG HD2 H 3.031 0.02 2 323 159 32 ARG HD3 H 3.169 0.02 2 324 159 32 ARG C C 172.952 0.1 1 325 159 32 ARG CA C 55.781 0.1 1 326 159 32 ARG CB C 34.348 0.1 1 327 159 32 ARG CG C 26.977 0.1 1 328 159 32 ARG CD C 43.834 0.1 1 329 159 32 ARG N N 120.142 0.1 1 330 160 33 ARG H H 10.258 0.02 1 331 160 33 ARG HA H 5.230 0.02 1 332 160 33 ARG HB2 H 1.955 0.02 2 333 160 33 ARG HB3 H 1.688 0.02 2 334 160 33 ARG C C 173.883 0.1 1 335 160 33 ARG CA C 55.527 0.1 1 336 160 33 ARG CB C 32.779 0.1 1 337 160 33 ARG N N 131.980 0.1 1 338 161 34 VAL H H 9.198 0.02 1 339 161 34 VAL HA H 4.837 0.02 1 340 161 34 VAL HB H 1.944 0.02 1 341 161 34 VAL HG1 H 0.870 0.02 2 342 161 34 VAL HG2 H 0.784 0.02 2 343 161 34 VAL C C 173.668 0.1 1 344 161 34 VAL CA C 59.940 0.1 1 345 161 34 VAL CB C 35.213 0.1 1 346 161 34 VAL CG1 C 22.274 0.1 1 347 161 34 VAL CG2 C 20.503 0.1 1 348 161 34 VAL N N 123.390 0.1 1 349 162 35 ARG H H 8.946 0.02 1 350 162 35 ARG HA H 5.218 0.02 1 351 162 35 ARG HB2 H 2.049 0.02 2 352 162 35 ARG HB3 H 1.488 0.02 2 353 162 35 ARG HG2 H 1.483 0.02 2 354 162 35 ARG HG3 H 1.331 0.02 2 355 162 35 ARG HD2 H 3.305 0.02 1 356 162 35 ARG HD3 H 3.305 0.02 1 357 162 35 ARG C C 174.759 0.1 1 358 162 35 ARG CA C 54.450 0.1 1 359 162 35 ARG CB C 33.342 0.1 1 360 162 35 ARG CG C 27.948 0.1 1 361 162 35 ARG CD C 44.457 0.1 1 362 162 35 ARG N N 125.585 0.1 1 363 163 36 LEU H H 9.333 0.02 1 364 163 36 LEU HA H 4.749 0.02 1 365 163 36 LEU HB2 H 1.702 0.02 2 366 163 36 LEU HB3 H 1.398 0.02 2 367 163 36 LEU HG H 1.546 0.02 1 368 163 36 LEU HD1 H 0.817 0.02 1 369 163 36 LEU HD2 H 0.817 0.02 1 370 163 36 LEU C C 175.867 0.1 1 371 163 36 LEU CA C 53.212 0.1 1 372 163 36 LEU CB C 43.976 0.1 1 373 163 36 LEU CG C 27.300 0.1 1 374 163 36 LEU CD1 C 25.035 0.1 1 375 163 36 LEU CD2 C 24.063 0.1 1 376 163 36 LEU N N 125.752 0.1 1 377 164 37 CYS H H 8.158 0.02 1 378 164 37 CYS HA H 4.652 0.02 1 379 164 37 CYS HB2 H 2.981 0.02 2 380 164 37 CYS HB3 H 2.817 0.02 2 381 164 37 CYS C C 173.587 0.1 1 382 164 37 CYS CA C 55.682 0.1 1 383 164 37 CYS CB C 42.838 0.1 1 384 164 37 CYS N N 123.015 0.1 1 385 165 38 LYS H H 8.198 0.02 1 386 165 38 LYS HA H 5.078 0.02 1 387 165 38 LYS HB2 H 1.681 0.02 2 388 165 38 LYS HB3 H 1.870 0.02 2 389 165 38 LYS HG2 H 1.439 0.02 2 390 165 38 LYS HG3 H 1.309 0.02 2 391 165 38 LYS HD2 H 1.642 0.02 1 392 165 38 LYS HD3 H 1.642 0.02 1 393 165 38 LYS HE2 H 2.970 0.02 1 394 165 38 LYS HE3 H 2.970 0.02 1 395 165 38 LYS C C 176.320 0.1 1 396 165 38 LYS CA C 55.786 0.1 1 397 165 38 LYS CB C 33.775 0.1 1 398 165 38 LYS CG C 25.695 0.1 1 399 165 38 LYS CD C 29.890 0.1 1 400 165 38 LYS CE C 42.514 0.1 1 401 165 38 LYS N N 110.390 0.1 1 402 166 39 HIS H H 8.648 0.02 1 403 166 39 HIS HA H 4.901 0.02 1 404 166 39 HIS HB2 H 3.154 0.02 2 405 166 39 HIS HB3 H 2.855 0.02 2 406 166 39 HIS HD2 H 7.084 0.02 1 407 166 39 HIS HE1 H 7.997 0.02 1 408 166 39 HIS C C 172.807 0.1 1 409 166 39 HIS CA C 53.579 0.1 1 410 166 39 HIS CB C 30.537 0.1 1 411 166 39 HIS CD2 C 120.138 0.1 1 412 166 39 HIS CE1 C 138.523 0.1 1 413 166 39 HIS N N 120.671 0.1 1 414 167 40 GLY C C 174.303 0.1 1 415 167 40 GLY CA C 45.672 0.1 1 416 168 41 SER H H 8.349 0.02 1 417 168 41 SER HA H 4.477 0.02 1 418 168 41 SER HB2 H 3.870 0.02 1 419 168 41 SER HB3 H 3.870 0.02 1 420 168 41 SER C C 174.607 0.1 1 421 168 41 SER CB C 64.557 0.1 1 422 168 41 SER N N 123.498 0.1 1 423 169 42 ASP H H 8.592 0.02 1 424 169 42 ASP HA H 4.620 0.02 1 425 169 42 ASP HB2 H 2.741 0.02 2 426 169 42 ASP HB3 H 2.571 0.02 2 427 169 42 ASP C C 176.064 0.1 1 428 169 42 ASP CA C 54.387 0.1 1 429 169 42 ASP CB C 41.044 0.1 1 430 169 42 ASP N N 121.620 0.1 1 431 170 43 LYS H H 7.830 0.02 1 432 170 43 LYS HA H 4.627 0.02 1 433 170 43 LYS HB2 H 1.815 0.02 2 434 170 43 LYS HB3 H 1.696 0.02 2 435 170 43 LYS HG2 H 1.423 0.02 2 436 170 43 LYS HG3 H 1.302 0.02 2 437 170 43 LYS HD2 H 1.654 0.02 2 438 170 43 LYS HD3 H 1.459 0.02 2 439 170 43 LYS HE2 H 3.027 0.02 2 440 170 43 LYS HE3 H 2.920 0.02 2 441 170 43 LYS C C 174.158 0.1 1 442 170 43 LYS CA C 54.491 0.1 1 443 170 43 LYS CB C 33.451 0.1 1 444 170 43 LYS CG C 25.682 0.1 1 445 170 43 LYS CD C 29.566 0.1 1 446 170 43 LYS CE C 42.191 0.1 1 447 170 43 LYS N N 120.854 0.1 1 448 171 44 PRO HA H 4.521 0.02 1 449 171 44 PRO HB2 H 1.949 0.02 2 450 171 44 PRO HB3 H 2.328 0.02 2 451 171 44 PRO HG2 H 2.076 0.02 1 452 171 44 PRO HG3 H 2.076 0.02 1 453 171 44 PRO HD2 H 3.654 0.02 2 454 171 44 PRO HD3 H 3.830 0.02 2 455 171 44 PRO C C 177.124 0.1 1 456 171 44 PRO CA C 62.672 0.1 1 457 171 44 PRO CB C 32.480 0.1 1 458 171 44 PRO CG C 27.528 0.1 1 459 171 44 PRO CD C 50.607 0.1 1 460 172 45 LEU H H 8.674 0.02 1 461 172 45 LEU HA H 4.007 0.02 1 462 172 45 LEU HB2 H 1.311 0.02 2 463 172 45 LEU HB3 H 1.616 0.02 2 464 172 45 LEU HG H 1.681 0.02 1 465 172 45 LEU HD1 H 0.894 0.02 2 466 172 45 LEU HD2 H 0.883 0.02 2 467 172 45 LEU C C 178.978 0.1 1 468 172 45 LEU CA C 58.061 0.1 1 469 172 45 LEU CB C 42.386 0.1 1 470 172 45 LEU CG C 27.703 0.1 1 471 172 45 LEU CD1 C 24.304 0.1 1 472 172 45 LEU CD2 C 26.006 0.1 1 473 172 45 LEU N N 121.159 0.1 1 474 173 46 GLY H H 8.282 0.02 1 475 173 46 GLY HA2 H 3.784 0.02 2 476 173 46 GLY HA3 H 4.101 0.02 2 477 173 46 GLY C C 175.634 0.1 1 478 173 46 GLY CA C 47.263 0.1 1 479 173 46 GLY N N 101.394 0.1 1 480 174 47 PHE H H 7.267 0.02 1 481 174 47 PHE HA H 5.279 0.02 1 482 174 47 PHE HB2 H 3.114 0.02 2 483 174 47 PHE HB3 H 2.972 0.02 2 484 174 47 PHE HD1 H 6.806 0.02 1 485 174 47 PHE HD2 H 6.806 0.02 1 486 174 47 PHE HE1 H 6.851 0.02 1 487 174 47 PHE HE2 H 6.851 0.02 1 488 174 47 PHE HZ H 7.154 0.02 1 489 174 47 PHE C C 170.923 0.1 1 490 174 47 PHE CA C 56.434 0.1 1 491 174 47 PHE CB C 41.164 0.1 1 492 174 47 PHE CD1 C 132.309 0.1 1 493 174 47 PHE CE1 C 130.237 0.1 1 494 174 47 PHE CZ C 129.978 0.1 1 495 174 47 PHE N N 116.558 0.1 1 496 175 48 TYR H H 8.392 0.02 1 497 175 48 TYR HA H 4.888 0.02 1 498 175 48 TYR HB2 H 2.672 0.02 2 499 175 48 TYR HB3 H 3.260 0.02 2 500 175 48 TYR HD1 H 7.013 0.02 1 501 175 48 TYR HD2 H 7.013 0.02 1 502 175 48 TYR HE1 H 6.706 0.02 1 503 175 48 TYR HE2 H 6.706 0.02 1 504 175 48 TYR C C 175.661 0.1 1 505 175 48 TYR CA C 56.396 0.1 1 506 175 48 TYR CB C 41.701 0.1 1 507 175 48 TYR CD1 C 133.085 0.1 1 508 175 48 TYR CE1 C 118.325 0.1 1 509 175 48 TYR N N 119.129 0.1 1 510 176 49 ILE H H 8.593 0.02 1 511 176 49 ILE HA H 5.670 0.02 1 512 176 49 ILE HB H 1.848 0.02 1 513 176 49 ILE HG12 H 1.509 0.02 1 514 176 49 ILE HG13 H 1.509 0.02 1 515 176 49 ILE HG2 H 0.914 0.02 1 516 176 49 ILE HD1 H 0.862 0.02 1 517 176 49 ILE C C 174.616 0.1 1 518 176 49 ILE CA C 59.645 0.1 1 519 176 49 ILE CB C 42.838 0.1 1 520 176 49 ILE CG1 C 27.300 0.1 1 521 176 49 ILE CG2 C 18.884 0.1 1 522 176 49 ILE CD1 C 14.636 0.1 1 523 176 49 ILE N N 113.490 0.1 1 524 177 50 ARG H H 9.410 0.02 1 525 177 50 ARG HA H 5.025 0.02 1 526 177 50 ARG HB2 H 2.075 0.02 2 527 177 50 ARG HB3 H 1.848 0.02 2 528 177 50 ARG HG2 H 1.455 0.02 2 529 177 50 ARG HG3 H 1.688 0.02 2 530 177 50 ARG HD2 H 3.249 0.02 2 531 177 50 ARG HD3 H 3.122 0.02 2 532 177 50 ARG C C 174.570 0.1 1 533 177 50 ARG CA C 54.387 0.1 1 534 177 50 ARG CB C 34.044 0.1 1 535 177 50 ARG CG C 27.982 0.1 1 536 177 50 ARG CD C 43.427 0.1 1 537 177 50 ARG N N 116.815 0.1 1 538 178 51 ASP H H 8.672 0.02 1 539 178 51 ASP HA H 5.386 0.02 1 540 178 51 ASP HB2 H 2.966 0.02 2 541 178 51 ASP HB3 H 2.824 0.02 2 542 178 51 ASP C C 176.055 0.1 1 543 178 51 ASP CA C 54.491 0.1 1 544 178 51 ASP CB C 42.593 0.1 1 545 178 51 ASP N N 120.545 0.1 1 546 179 52 GLY H H 8.478 0.02 1 547 179 52 GLY HA2 H 4.338 0.02 2 548 179 52 GLY HA3 H 3.923 0.02 2 549 179 52 GLY C C 172.837 0.1 1 550 179 52 GLY CA C 45.884 0.1 1 551 179 52 GLY N N 108.027 0.1 1 552 180 53 THR H H 8.382 0.02 1 553 180 53 THR HA H 4.990 0.02 1 554 180 53 THR HB H 3.896 0.02 1 555 180 53 THR HG2 H 1.094 0.02 1 556 180 53 THR C C 173.721 0.1 1 557 180 53 THR CA C 61.609 0.1 1 558 180 53 THR CB C 71.678 0.1 1 559 180 53 THR CG2 C 22.274 0.1 1 560 180 53 THR N N 115.787 0.1 1 561 181 54 SER H H 9.314 0.02 1 562 181 54 SER HA H 4.744 0.02 1 563 181 54 SER HB2 H 3.862 0.02 2 564 181 54 SER HB3 H 3.690 0.02 2 565 181 54 SER C C 173.650 0.1 1 566 181 54 SER CA C 57.365 0.1 1 567 181 54 SER CB C 65.214 0.1 1 568 181 54 SER N N 120.809 0.1 1 569 182 55 VAL H H 8.524 0.02 1 570 182 55 VAL HA H 4.785 0.02 1 571 182 55 VAL HB H 1.972 0.02 1 572 182 55 VAL HG1 H 0.920 0.02 2 573 182 55 VAL HG2 H 0.868 0.02 2 574 182 55 VAL C C 175.813 0.1 1 575 182 55 VAL CA C 61.863 0.1 1 576 182 55 VAL CB C 33.922 0.1 1 577 182 55 VAL CG2 C 21.796 0.1 1 578 182 55 VAL N N 121.771 0.1 1 579 183 56 ARG H H 8.909 0.02 1 580 183 56 ARG HA H 4.719 0.02 1 581 183 56 ARG HB2 H 1.736 0.02 2 582 183 56 ARG HB3 H 1.798 0.02 2 583 183 56 ARG HG2 H 1.314 0.02 2 584 183 56 ARG HG3 H 1.533 0.02 2 585 183 56 ARG HD2 H 3.000 0.02 2 586 183 56 ARG HD3 H 3.161 0.02 2 587 183 56 ARG C C 174.627 0.1 1 588 183 56 ARG CA C 54.767 0.1 1 589 183 56 ARG CB C 33.479 0.1 1 590 183 56 ARG CG C 27.300 0.1 1 591 183 56 ARG CD C 43.738 0.1 1 592 183 56 ARG N N 126.563 0.1 1 593 184 57 VAL H H 8.612 0.02 1 594 184 57 VAL HA H 4.234 0.02 1 595 184 57 VAL HB H 2.003 0.02 1 596 184 57 VAL HG1 H 0.918 0.02 2 597 184 57 VAL HG2 H 0.975 0.02 2 598 184 57 VAL C C 176.302 0.1 1 599 184 57 VAL CA C 63.257 0.1 1 600 184 57 VAL CB C 32.547 0.1 1 601 184 57 VAL CG1 C 21.796 0.1 1 602 184 57 VAL CG2 C 21.074 0.1 1 603 184 57 VAL N N 124.269 0.1 1 604 185 58 THR H H 8.358 0.02 1 605 185 58 THR HA H 4.837 0.02 1 606 185 58 THR HB H 4.557 0.02 1 607 185 58 THR HG2 H 1.143 0.02 1 608 185 58 THR C C 175.366 0.1 1 609 185 58 THR CA C 60.279 0.1 1 610 185 58 THR CB C 72.415 0.1 1 611 185 58 THR CG2 C 21.319 0.1 1 612 185 58 THR N N 119.525 0.1 1 613 186 59 ALA H H 8.838 0.02 1 614 186 59 ALA HA H 4.189 0.02 1 615 186 59 ALA HB H 1.486 0.02 1 616 186 59 ALA C C 178.789 0.1 1 617 186 59 ALA CA C 54.626 0.1 1 618 186 59 ALA CB C 18.560 0.1 1 619 186 59 ALA N N 122.956 0.1 1 620 187 60 SER H H 8.102 0.02 1 621 187 60 SER HA H 4.471 0.02 1 622 187 60 SER HB2 H 3.863 0.02 1 623 187 60 SER HB3 H 3.863 0.02 1 624 187 60 SER C C 173.996 0.1 1 625 187 60 SER CA C 58.401 0.1 1 626 187 60 SER CB C 64.035 0.1 1 627 187 60 SER N N 110.427 0.1 1 628 188 61 GLY H H 7.636 0.02 1 629 188 61 GLY HA2 H 3.799 0.02 2 630 188 61 GLY HA3 H 4.413 0.02 2 631 188 61 GLY C C 172.845 0.1 1 632 188 61 GLY CA C 45.142 0.1 1 633 188 61 GLY N N 110.662 0.1 1 634 189 62 LEU H H 8.430 0.02 1 635 189 62 LEU HA H 4.849 0.02 1 636 189 62 LEU HB2 H 1.655 0.02 2 637 189 62 LEU HB3 H 1.408 0.02 2 638 189 62 LEU HG H 1.600 0.02 1 639 189 62 LEU HD1 H 0.892 0.02 2 640 189 62 LEU HD2 H 0.811 0.02 2 641 189 62 LEU C C 177.136 0.1 1 642 189 62 LEU CA C 55.084 0.1 1 643 189 62 LEU CB C 43.079 0.1 1 644 189 62 LEU CG C 28.083 0.1 1 645 189 62 LEU CD1 C 25.617 0.1 1 646 189 62 LEU CD2 C 24.901 0.1 1 647 189 62 LEU N N 123.241 0.1 1 648 190 63 GLU H H 9.088 0.02 1 649 190 63 GLU HA H 4.658 0.02 1 650 190 63 GLU HB2 H 1.863 0.02 2 651 190 63 GLU HB3 H 2.025 0.02 2 652 190 63 GLU HG2 H 2.152 0.02 2 653 190 63 GLU HG3 H 2.215 0.02 2 654 190 63 GLU C C 175.293 0.1 1 655 190 63 GLU CA C 55.717 0.1 1 656 190 63 GLU CB C 33.129 0.1 1 657 190 63 GLU CG C 36.688 0.1 1 658 190 63 GLU N N 124.591 0.1 1 659 191 64 LYS H H 8.627 0.02 1 660 191 64 LYS HA H 5.072 0.02 1 661 191 64 LYS HB2 H 1.868 0.02 2 662 191 64 LYS HB3 H 1.675 0.02 2 663 191 64 LYS HG2 H 1.388 0.02 1 664 191 64 LYS HG3 H 1.388 0.02 1 665 191 64 LYS HE2 H 3.035 0.02 2 666 191 64 LYS HE3 H 2.959 0.02 2 667 191 64 LYS C C 176.448 0.1 1 668 191 64 LYS CA C 56.796 0.1 1 669 191 64 LYS CB C 34.004 0.1 1 670 191 64 LYS CG C 25.020 0.1 1 671 191 64 LYS CE C 42.191 0.1 1 672 191 64 LYS N N 124.269 0.1 1 673 192 65 GLN H H 8.786 0.02 1 674 192 65 GLN HA H 4.999 0.02 1 675 192 65 GLN HB2 H 2.156 0.02 2 676 192 65 GLN HB3 H 1.903 0.02 2 677 192 65 GLN HG2 H 2.377 0.02 1 678 192 65 GLN HG3 H 2.377 0.02 1 679 192 65 GLN HE21 H 7.583 0.02 2 680 192 65 GLN HE22 H 6.764 0.02 2 681 192 65 GLN C C 175.905 0.1 1 682 192 65 GLN CA C 53.197 0.1 1 683 192 65 GLN CB C 31.185 0.1 1 684 192 65 GLN CG C 36.077 0.1 1 685 192 65 GLN N N 122.747 0.1 1 686 192 65 GLN NE2 N 111.932 0.1 1 687 193 66 PRO HA H 4.987 0.02 1 688 193 66 PRO HB2 H 2.511 0.02 2 689 193 66 PRO HB3 H 2.062 0.02 2 690 193 66 PRO HG2 H 2.166 0.02 1 691 193 66 PRO HG3 H 2.166 0.02 1 692 193 66 PRO HD2 H 3.879 0.02 2 693 193 66 PRO HD3 H 3.779 0.02 2 694 193 66 PRO CA C 63.200 0.1 1 695 193 66 PRO CB C 32.858 0.1 1 696 193 66 PRO CG C 27.989 0.1 1 697 193 66 PRO CD C 50.931 0.1 1 698 194 67 GLY H H 8.488 0.02 1 699 194 67 GLY HA2 H 4.397 0.02 2 700 194 67 GLY HA3 H 3.606 0.02 2 701 194 67 GLY C C 171.397 0.1 1 702 194 67 GLY CA C 45.240 0.1 1 703 194 67 GLY N N 108.926 0.1 1 704 195 68 ILE H H 8.583 0.02 1 705 195 68 ILE HA H 4.925 0.02 1 706 195 68 ILE HB H 1.733 0.02 1 707 195 68 ILE HG12 H 1.340 0.02 2 708 195 68 ILE HG13 H 1.413 0.02 2 709 195 68 ILE HG2 H 0.788 0.02 1 710 195 68 ILE HD1 H 0.777 0.02 1 711 195 68 ILE C C 174.472 0.1 1 712 195 68 ILE CA C 59.139 0.1 1 713 195 68 ILE CB C 39.249 0.1 1 714 195 68 ILE CG1 C 27.293 0.1 1 715 195 68 ILE CG2 C 18.572 0.1 1 716 195 68 ILE CD1 C 11.408 0.1 1 717 195 68 ILE N N 122.241 0.1 1 718 196 69 PHE H H 9.076 0.02 1 719 196 69 PHE HA H 5.412 0.02 1 720 196 69 PHE HB2 H 2.450 0.02 2 721 196 69 PHE HB3 H 2.764 0.02 2 722 196 69 PHE HD1 H 6.971 0.02 1 723 196 69 PHE HD2 H 6.971 0.02 1 724 196 69 PHE HE1 H 7.036 0.02 1 725 196 69 PHE HE2 H 7.036 0.02 1 726 196 69 PHE C C 175.984 0.1 1 727 196 69 PHE CA C 55.800 0.1 1 728 196 69 PHE CB C 43.800 0.1 1 729 196 69 PHE CD2 C 132.050 0.1 1 730 196 69 PHE CE2 C 130.496 0.1 1 731 196 69 PHE N N 123.200 0.1 1 732 197 70 ILE H H 8.979 0.02 1 733 197 70 ILE HA H 4.503 0.02 1 734 197 70 ILE HB H 2.396 0.02 1 735 197 70 ILE HG12 H 1.491 0.02 2 736 197 70 ILE HG13 H 1.203 0.02 2 737 197 70 ILE HG2 H 0.790 0.02 1 738 197 70 ILE HD1 H 0.420 0.02 1 739 197 70 ILE C C 177.083 0.1 1 740 197 70 ILE CA C 62.115 0.1 1 741 197 70 ILE CB C 36.213 0.1 1 742 197 70 ILE CG1 C 27.560 0.1 1 743 197 70 ILE CG2 C 17.378 0.1 1 744 197 70 ILE CD1 C 12.410 0.1 1 745 197 70 ILE N N 121.185 0.1 1 746 198 71 SER H H 9.644 0.02 1 747 198 71 SER HA H 4.757 0.02 1 748 198 71 SER HB2 H 3.956 0.02 2 749 198 71 SER HB3 H 3.499 0.02 2 750 198 71 SER C C 175.072 0.1 1 751 198 71 SER CA C 58.727 0.1 1 752 198 71 SER CB C 64.850 0.1 1 753 198 71 SER N N 125.791 0.1 1 754 199 72 ARG H H 7.272 0.02 1 755 199 72 ARG HA H 4.463 0.02 1 756 199 72 ARG HB2 H 1.727 0.02 2 757 199 72 ARG HB3 H 1.973 0.02 2 758 199 72 ARG HG2 H 1.595 0.02 2 759 199 72 ARG HG3 H 1.482 0.02 2 760 199 72 ARG HD2 H 3.017 0.02 1 761 199 72 ARG HD3 H 3.017 0.02 1 762 199 72 ARG C C 173.712 0.1 1 763 199 72 ARG CA C 56.610 0.1 1 764 199 72 ARG CB C 33.650 0.1 1 765 199 72 ARG CG C 27.624 0.1 1 766 199 72 ARG CD C 43.886 0.1 1 767 199 72 ARG N N 119.386 0.1 1 768 200 73 LEU H H 8.995 0.02 1 769 200 73 LEU HA H 4.991 0.02 1 770 200 73 LEU HB2 H 1.398 0.02 2 771 200 73 LEU HB3 H 1.810 0.02 2 772 200 73 LEU HG H 1.587 0.02 1 773 200 73 LEU HD1 H 0.906 0.02 2 774 200 73 LEU HD2 H 0.706 0.02 2 775 200 73 LEU C C 176.385 0.1 1 776 200 73 LEU CA C 53.563 0.1 1 777 200 73 LEU CB C 43.820 0.1 1 778 200 73 LEU CG C 28.145 0.1 1 779 200 73 LEU CD1 C 24.304 0.1 1 780 200 73 LEU N N 124.269 0.1 1 781 201 74 VAL H H 7.918 0.02 1 782 201 74 VAL HA H 4.238 0.02 1 783 201 74 VAL HB H 1.805 0.02 1 784 201 74 VAL HG1 H 1.014 0.02 2 785 201 74 VAL HG2 H 0.908 0.02 2 786 201 74 VAL C C 174.825 0.1 1 787 201 74 VAL CA C 60.642 0.1 1 788 201 74 VAL CB C 33.775 0.1 1 789 201 74 VAL CG1 C 20.179 0.1 1 790 201 74 VAL CG2 C 22.121 0.1 1 791 201 74 VAL N N 123.832 0.1 1 792 202 75 PRO HA H 4.522 0.02 1 793 202 75 PRO HB2 H 2.401 0.02 2 794 202 75 PRO HB3 H 1.962 0.02 2 795 202 75 PRO HG2 H 2.199 0.02 2 796 202 75 PRO HG3 H 2.057 0.02 2 797 202 75 PRO HD2 H 4.185 0.02 2 798 202 75 PRO HD3 H 3.746 0.02 2 799 202 75 PRO C C 178.207 0.1 1 800 202 75 PRO CA C 64.035 0.1 1 801 202 75 PRO CB C 31.709 0.1 1 802 202 75 PRO CG C 27.925 0.1 1 803 202 75 PRO CD C 52.225 0.1 1 804 203 76 GLY H H 9.508 0.02 1 805 203 76 GLY HA2 H 4.222 0.02 2 806 203 76 GLY HA3 H 3.746 0.02 2 807 203 76 GLY C C 175.312 0.1 1 808 203 76 GLY CA C 45.658 0.1 1 809 203 76 GLY N N 114.760 0.1 1 810 204 77 GLY H H 8.040 0.02 1 811 204 77 GLY HA2 H 4.292 0.02 2 812 204 77 GLY HA3 H 3.885 0.02 2 813 204 77 GLY C C 174.141 0.1 1 814 204 77 GLY CA C 44.780 0.1 1 815 204 77 GLY N N 106.059 0.1 1 816 205 78 LEU H H 8.888 0.02 1 817 205 78 LEU HA H 4.137 0.02 1 818 205 78 LEU HB2 H 1.771 0.02 2 819 205 78 LEU HB3 H 1.720 0.02 2 820 205 78 LEU HG H 1.600 0.02 1 821 205 78 LEU HD1 H 0.884 0.02 2 822 205 78 LEU HD2 H 0.831 0.02 2 823 205 78 LEU C C 180.131 0.1 1 824 205 78 LEU CA C 58.378 0.1 1 825 205 78 LEU CB C 42.838 0.1 1 826 205 78 LEU CG C 27.624 0.1 1 827 205 78 LEU CD1 C 25.283 0.1 1 828 205 78 LEU CD2 C 22.714 0.1 1 829 205 78 LEU N N 120.671 0.1 1 830 206 79 ALA H H 8.298 0.02 1 831 206 79 ALA HA H 3.848 0.02 1 832 206 79 ALA HB H 1.394 0.02 1 833 206 79 ALA C C 179.103 0.1 1 834 206 79 ALA CA C 56.414 0.1 1 835 206 79 ALA CB C 19.193 0.1 1 836 206 79 ALA N N 120.805 0.1 1 837 207 80 GLU H H 9.268 0.02 1 838 207 80 GLU HA H 3.959 0.02 1 839 207 80 GLU HB2 H 2.039 0.02 2 840 207 80 GLU HB3 H 2.210 0.02 2 841 207 80 GLU HG2 H 2.235 0.02 1 842 207 80 GLU HG3 H 2.235 0.02 1 843 207 80 GLU C C 178.932 0.1 1 844 207 80 GLU CA C 59.899 0.1 1 845 207 80 GLU CB C 30.420 0.1 1 846 207 80 GLU CG C 37.012 0.1 1 847 207 80 GLU N N 119.192 0.1 1 848 208 81 SER H H 8.557 0.02 1 849 208 81 SER HA H 4.218 0.02 1 850 208 81 SER HB2 H 4.017 0.02 1 851 208 81 SER HB3 H 4.017 0.02 1 852 208 81 SER C C 176.654 0.1 1 853 208 81 SER CA C 62.053 0.1 1 854 208 81 SER CB C 63.502 0.1 1 855 208 81 SER N N 114.408 0.1 1 856 209 82 THR H H 7.836 0.02 1 857 209 82 THR HA H 4.327 0.02 1 858 209 82 THR HB H 4.157 0.02 1 859 209 82 THR HG2 H 1.439 0.02 1 860 209 82 THR C C 176.859 0.1 1 861 209 82 THR CA C 63.231 0.1 1 862 209 82 THR CB C 71.324 0.1 1 863 209 82 THR CG2 C 22.154 0.1 1 864 209 82 THR N N 108.924 0.1 1 865 210 83 GLY H H 7.607 0.02 1 866 210 83 GLY HA2 H 4.057 0.02 1 867 210 83 GLY HA3 H 4.057 0.02 1 868 210 83 GLY C C 175.661 0.1 1 869 210 83 GLY CA C 46.658 0.1 1 870 210 83 GLY N N 110.187 0.1 1 871 211 84 LEU H H 7.692 0.02 1 872 211 84 LEU HA H 4.115 0.02 1 873 211 84 LEU HB2 H 1.433 0.02 1 874 211 84 LEU HB3 H 1.433 0.02 1 875 211 84 LEU HD1 H 0.735 0.02 2 876 211 84 LEU HD2 H 0.824 0.02 2 877 211 84 LEU C C 175.965 0.1 1 878 211 84 LEU CA C 56.541 0.1 1 879 211 84 LEU CB C 43.616 0.1 1 880 211 84 LEU CD1 C 26.006 0.1 1 881 211 84 LEU CD2 C 22.666 0.1 1 882 211 84 LEU N N 117.505 0.1 1 883 212 85 LEU H H 7.171 0.02 1 884 212 85 LEU HA H 4.486 0.02 1 885 212 85 LEU HB2 H 1.042 0.02 1 886 212 85 LEU HB3 H 1.042 0.02 1 887 212 85 LEU HG H 1.156 0.02 1 888 212 85 LEU HD1 H 0.108 0.02 2 889 212 85 LEU HD2 H 0.623 0.02 2 890 212 85 LEU C C 174.025 0.1 1 891 212 85 LEU CA C 53.024 0.1 1 892 212 85 LEU CB C 47.532 0.1 1 893 212 85 LEU CG C 26.653 0.1 1 894 212 85 LEU CD1 C 26.006 0.1 1 895 212 85 LEU CD2 C 23.468 0.1 1 896 212 85 LEU N N 115.016 0.1 1 897 213 86 ALA H H 8.846 0.02 1 898 213 86 ALA HA H 4.602 0.02 1 899 213 86 ALA HB H 1.350 0.02 1 900 213 86 ALA C C 176.279 0.1 1 901 213 86 ALA CA C 50.520 0.1 1 902 213 86 ALA CB C 22.794 0.1 1 903 213 86 ALA N N 124.526 0.1 1 904 214 87 VAL H H 8.162 0.02 1 905 214 87 VAL HA H 3.214 0.02 1 906 214 87 VAL HB H 1.828 0.02 1 907 214 87 VAL HG1 H 0.961 0.02 2 908 214 87 VAL HG2 H 0.932 0.02 2 909 214 87 VAL C C 176.654 0.1 1 910 214 87 VAL CA C 65.474 0.1 1 911 214 87 VAL CB C 31.470 0.1 1 912 214 87 VAL CG1 C 23.229 0.1 1 913 214 87 VAL CG2 C 21.474 0.1 1 914 214 87 VAL N N 118.800 0.1 1 915 215 88 ASN H H 9.088 0.02 1 916 215 88 ASN HA H 4.286 0.02 1 917 215 88 ASN HB2 H 3.488 0.02 2 918 215 88 ASN HB3 H 3.028 0.02 2 919 215 88 ASN HD21 H 7.642 0.02 2 920 215 88 ASN HD22 H 6.956 0.02 2 921 215 88 ASN C C 175.393 0.1 1 922 215 88 ASN CA C 56.805 0.1 1 923 215 88 ASN CB C 37.095 0.1 1 924 215 88 ASN N N 116.783 0.1 1 925 215 88 ASN ND2 N 114.759 0.1 1 926 216 89 ASP H H 8.202 0.02 1 927 216 89 ASP HA H 4.545 0.02 1 928 216 89 ASP HB2 H 2.845 0.02 2 929 216 89 ASP HB3 H 2.125 0.02 2 930 216 89 ASP C C 175.688 0.1 1 931 216 89 ASP CA C 56.794 0.1 1 932 216 89 ASP CB C 40.863 0.1 1 933 216 89 ASP N N 123.149 0.1 1 934 217 90 GLU H H 8.242 0.02 1 935 217 90 GLU HA H 4.301 0.02 1 936 217 90 GLU HB2 H 1.859 0.02 2 937 217 90 GLU HB3 H 1.744 0.02 2 938 217 90 GLU C C 176.591 0.1 1 939 217 90 GLU CA C 54.756 0.1 1 940 217 90 GLU CB C 31.509 0.1 1 941 217 90 GLU N N 123.621 0.1 1 942 218 91 VAL H H 8.998 0.02 1 943 218 91 VAL HA H 3.677 0.02 1 944 218 91 VAL HB H 1.712 0.02 1 945 218 91 VAL HG1 H 0.690 0.02 2 946 218 91 VAL HG2 H 0.700 0.02 2 947 218 91 VAL C C 173.837 0.1 1 948 218 91 VAL CA C 63.953 0.1 1 949 218 91 VAL CB C 32.156 0.1 1 950 218 91 VAL CG1 C 22.154 0.1 1 951 218 91 VAL CG2 C 21.474 0.1 1 952 218 91 VAL N N 128.318 0.1 1 953 219 92 ILE H H 9.033 0.02 1 954 219 92 ILE HA H 4.427 0.02 1 955 219 92 ILE HB H 1.679 0.02 1 956 219 92 ILE HG12 H 0.886 0.02 2 957 219 92 ILE HG13 H 0.836 0.02 2 958 219 92 ILE HG2 H 0.916 0.02 1 959 219 92 ILE HD1 H 0.411 0.02 1 960 219 92 ILE C C 177.923 0.1 1 961 219 92 ILE CA C 60.560 0.1 1 962 219 92 ILE CB C 38.702 0.1 1 963 219 92 ILE CG1 C 26.329 0.1 1 964 219 92 ILE CG2 C 17.824 0.1 1 965 219 92 ILE CD1 C 9.820 0.1 1 966 219 92 ILE N N 123.755 0.1 1 967 220 93 GLU H H 7.872 0.02 1 968 220 93 GLU HA H 5.179 0.02 1 969 220 93 GLU HB2 H 1.877 0.02 2 970 220 93 GLU HB3 H 1.691 0.02 2 971 220 93 GLU HG2 H 1.962 0.02 1 972 220 93 GLU HG3 H 1.962 0.02 1 973 220 93 GLU C C 174.830 0.1 1 974 220 93 GLU CA C 55.331 0.1 1 975 220 93 GLU CB C 35.837 0.1 1 976 220 93 GLU CG C 36.364 0.1 1 977 220 93 GLU N N 119.703 0.1 1 978 221 94 VAL H H 8.750 0.02 1 979 221 94 VAL HA H 4.606 0.02 1 980 221 94 VAL HB H 1.943 0.02 1 981 221 94 VAL HG1 H 0.794 0.02 2 982 221 94 VAL HG2 H 0.766 0.02 2 983 221 94 VAL C C 175.438 0.1 1 984 221 94 VAL CA C 61.863 0.1 1 985 221 94 VAL CB C 35.208 0.1 1 986 221 94 VAL CG1 C 22.035 0.1 1 987 221 94 VAL CG2 C 22.632 0.1 1 988 221 94 VAL N N 121.582 0.1 1 989 222 95 ASN H H 10.183 0.02 1 990 222 95 ASN HA H 4.157 0.02 1 991 222 95 ASN HB2 H 3.010 0.02 2 992 222 95 ASN HB3 H 2.661 0.02 2 993 222 95 ASN HD21 H 7.598 0.02 2 994 222 95 ASN HD22 H 7.319 0.02 2 995 222 95 ASN C C 174.821 0.1 1 996 222 95 ASN CA C 55.139 0.1 1 997 222 95 ASN CB C 37.751 0.1 1 998 222 95 ASN N N 126.463 0.1 1 999 223 96 GLY H H 8.246 0.02 1 1000 223 96 GLY HA2 H 4.083 0.02 2 1001 223 96 GLY HA3 H 3.625 0.02 2 1002 223 96 GLY C C 173.686 0.1 1 1003 223 96 GLY CA C 45.750 0.1 1 1004 223 96 GLY N N 102.310 0.1 1 1005 224 97 ILE H H 7.970 0.02 1 1006 224 97 ILE HA H 4.285 0.02 1 1007 224 97 ILE HB H 2.090 0.02 1 1008 224 97 ILE HG12 H 1.490 0.02 2 1009 224 97 ILE HG13 H 1.192 0.02 2 1010 224 97 ILE HG2 H 0.940 0.02 1 1011 224 97 ILE HD1 H 0.854 0.02 1 1012 224 97 ILE C C 175.929 0.1 1 1013 224 97 ILE CA C 59.645 0.1 1 1014 224 97 ILE CB C 38.306 0.1 1 1015 224 97 ILE CG1 C 26.998 0.1 1 1016 224 97 ILE CG2 C 17.736 0.1 1 1017 224 97 ILE CD1 C 11.763 0.1 1 1018 224 97 ILE N N 122.600 0.1 1 1019 225 98 GLU H H 8.888 0.02 1 1020 225 98 GLU HA H 4.497 0.02 1 1021 225 98 GLU HB2 H 2.236 0.02 2 1022 225 98 GLU HB3 H 2.143 0.02 2 1023 225 98 GLU HG2 H 2.318 0.02 2 1024 225 98 GLU HG3 H 2.498 0.02 2 1025 225 98 GLU C C 177.377 0.1 1 1026 225 98 GLU CA C 57.688 0.1 1 1027 225 98 GLU CB C 30.350 0.1 1 1028 225 98 GLU CG C 37.335 0.1 1 1029 225 98 GLU N N 127.113 0.1 1 1030 226 99 VAL H H 7.456 0.02 1 1031 226 99 VAL HA H 4.027 0.02 1 1032 226 99 VAL HB H 2.262 0.02 1 1033 226 99 VAL HG1 H 0.765 0.02 2 1034 226 99 VAL HG2 H 0.701 0.02 2 1035 226 99 VAL C C 175.545 0.1 1 1036 226 99 VAL CA C 62.180 0.1 1 1037 226 99 VAL CB C 31.230 0.1 1 1038 226 99 VAL CG1 C 22.632 0.1 1 1039 226 99 VAL CG2 C 19.855 0.1 1 1040 226 99 VAL N N 113.546 0.1 1 1041 227 100 ALA H H 7.635 0.02 1 1042 227 100 ALA HA H 4.187 0.02 1 1043 227 100 ALA HB H 1.372 0.02 1 1044 227 100 ALA C C 178.620 0.1 1 1045 227 100 ALA CA C 54.070 0.1 1 1046 227 100 ALA CB C 18.308 0.1 1 1047 227 100 ALA N N 125.006 0.1 1 1048 228 101 GLY H H 8.851 0.02 1 1049 228 101 GLY HA2 H 4.206 0.02 2 1050 228 101 GLY HA3 H 3.730 0.02 2 1051 228 101 GLY C C 174.696 0.1 1 1052 228 101 GLY CA C 45.659 0.1 1 1053 228 101 GLY N N 111.697 0.1 1 1054 229 102 LYS H H 8.048 0.02 1 1055 229 102 LYS HA H 4.746 0.02 1 1056 229 102 LYS HB2 H 1.965 0.02 2 1057 229 102 LYS HB3 H 1.833 0.02 2 1058 229 102 LYS HG2 H 1.305 0.02 1 1059 229 102 LYS HG3 H 1.305 0.02 1 1060 229 102 LYS HD2 H 1.586 0.02 2 1061 229 102 LYS HD3 H 1.459 0.02 2 1062 229 102 LYS HE2 H 2.978 0.02 1 1063 229 102 LYS HE3 H 2.978 0.02 1 1064 229 102 LYS C C 176.841 0.1 1 1065 229 102 LYS CA C 55.189 0.1 1 1066 229 102 LYS CB C 34.283 0.1 1 1067 229 102 LYS CG C 26.453 0.1 1 1068 229 102 LYS CD C 29.566 0.1 1 1069 229 102 LYS CE C 42.838 0.1 1 1070 229 102 LYS N N 120.368 0.1 1 1071 230 103 THR H H 8.588 0.02 1 1072 230 103 THR HA H 4.514 0.02 1 1073 230 103 THR HB H 4.764 0.02 1 1074 230 103 THR HG2 H 1.338 0.02 1 1075 230 103 THR C C 175.902 0.1 1 1076 230 103 THR CA C 60.659 0.1 1 1077 230 103 THR CB C 71.559 0.1 1 1078 230 103 THR CG2 C 22.393 0.1 1 1079 230 103 THR N N 111.136 0.1 1 1080 231 104 LEU H H 8.972 0.02 1 1081 231 104 LEU HA H 3.893 0.02 1 1082 231 104 LEU HB2 H 1.729 0.02 2 1083 231 104 LEU HB3 H 1.823 0.02 2 1084 231 104 LEU HG H 1.746 0.02 1 1085 231 104 LEU HD1 H 0.913 0.02 2 1086 231 104 LEU HD2 H 0.930 0.02 2 1087 231 104 LEU C C 179.988 0.1 1 1088 231 104 LEU CA C 59.075 0.1 1 1089 231 104 LEU CB C 41.906 0.1 1 1090 231 104 LEU CG C 26.977 0.1 1 1091 231 104 LEU CD1 C 24.781 0.1 1 1092 231 104 LEU CD2 C 25.035 0.1 1 1093 231 104 LEU N N 121.185 0.1 1 1094 232 105 ASP H H 8.434 0.02 1 1095 232 105 ASP HA H 4.365 0.02 1 1096 232 105 ASP HB2 H 2.739 0.02 2 1097 232 105 ASP HB3 H 2.526 0.02 2 1098 232 105 ASP C C 178.414 0.1 1 1099 232 105 ASP CA C 57.618 0.1 1 1100 232 105 ASP CB C 40.443 0.1 1 1101 232 105 ASP N N 117.795 0.1 1 1102 233 106 GLN H H 7.715 0.02 1 1103 233 106 GLN HA H 4.123 0.02 1 1104 233 106 GLN HB2 H 2.540 0.02 2 1105 233 106 GLN HB3 H 1.912 0.02 2 1106 233 106 GLN HG2 H 2.536 0.02 2 1107 233 106 GLN HG3 H 2.480 0.02 2 1108 233 106 GLN C C 179.943 0.1 1 1109 233 106 GLN CA C 59.075 0.1 1 1110 233 106 GLN CB C 29.316 0.1 1 1111 233 106 GLN CG C 35.069 0.1 1 1112 233 106 GLN N N 119.409 0.1 1 1113 234 107 VAL H H 8.432 0.02 1 1114 234 107 VAL HA H 3.777 0.02 1 1115 234 107 VAL HB H 2.120 0.02 1 1116 234 107 VAL HG1 H 0.902 0.02 2 1117 234 107 VAL HG2 H 0.997 0.02 2 1118 234 107 VAL C C 178.164 0.1 1 1119 234 107 VAL CA C 67.058 0.1 1 1120 234 107 VAL CB C 31.350 0.1 1 1121 234 107 VAL CG1 C 22.800 0.1 1 1122 234 107 VAL CG2 C 24.000 0.1 1 1123 234 107 VAL N N 121.212 0.1 1 1124 235 108 THR H H 8.752 0.02 1 1125 235 108 THR HA H 4.391 0.02 1 1126 235 108 THR HB H 3.798 0.02 1 1127 235 108 THR HG2 H 1.238 0.02 1 1128 235 108 THR C C 176.663 0.1 1 1129 235 108 THR CA C 68.261 0.1 1 1130 235 108 THR CB C 68.084 0.1 1 1131 235 108 THR CG2 C 21.916 0.1 1 1132 235 108 THR N N 118.486 0.1 1 1133 236 109 ASP H H 7.903 0.02 1 1134 236 109 ASP HA H 4.400 0.02 1 1135 236 109 ASP HB2 H 2.628 0.02 2 1136 236 109 ASP HB3 H 2.812 0.02 2 1137 236 109 ASP C C 179.318 0.1 1 1138 236 109 ASP CA C 57.891 0.1 1 1139 236 109 ASP CB C 40.691 0.1 1 1140 236 109 ASP N N 120.777 0.1 1 1141 237 110 MET H H 7.800 0.02 1 1142 237 110 MET HA H 4.113 0.02 1 1143 237 110 MET HB2 H 2.079 0.02 2 1144 237 110 MET HB3 H 2.411 0.02 2 1145 237 110 MET HG2 H 2.867 0.02 2 1146 237 110 MET HG3 H 2.609 0.02 2 1147 237 110 MET HE H 1.983 0.02 1 1148 237 110 MET C C 178.655 0.1 1 1149 237 110 MET CA C 59.569 0.1 1 1150 237 110 MET CB C 34.300 0.1 1 1151 237 110 MET CG C 31.509 0.1 1 1152 237 110 MET CE C 17.265 0.1 1 1153 237 110 MET N N 118.692 0.1 1 1154 238 111 MET H H 8.014 0.02 1 1155 238 111 MET HA H 4.029 0.02 1 1156 238 111 MET HB2 H 1.925 0.02 2 1157 238 111 MET HB3 H 2.397 0.02 2 1158 238 111 MET HG2 H 2.986 0.02 1 1159 238 111 MET HG3 H 2.986 0.02 1 1160 238 111 MET HE H 1.878 0.02 1 1161 238 111 MET C C 177.852 0.1 1 1162 238 111 MET CA C 59.248 0.1 1 1163 238 111 MET CB C 33.222 0.1 1 1164 238 111 MET CG C 33.451 0.1 1 1165 238 111 MET CE C 17.589 0.1 1 1166 238 111 MET N N 117.479 0.1 1 1167 239 112 VAL H H 8.009 0.02 1 1168 239 112 VAL HA H 3.928 0.02 1 1169 239 112 VAL HB H 2.257 0.02 1 1170 239 112 VAL HG1 H 0.935 0.02 2 1171 239 112 VAL HG2 H 1.029 0.02 2 1172 239 112 VAL C C 178.316 0.1 1 1173 239 112 VAL CA C 64.506 0.1 1 1174 239 112 VAL CB C 31.710 0.1 1 1175 239 112 VAL CG1 C 21.066 0.1 1 1176 239 112 VAL CG2 C 21.474 0.1 1 1177 239 112 VAL N N 115.601 0.1 1 1178 240 113 ALA H H 7.792 0.02 1 1179 240 113 ALA HA H 4.173 0.02 1 1180 240 113 ALA HB H 1.467 0.02 1 1181 240 113 ALA C C 178.227 0.1 1 1182 240 113 ALA CA C 54.672 0.1 1 1183 240 113 ALA CB C 18.884 0.1 1 1184 240 113 ALA N N 123.074 0.1 1 1185 241 114 ASN H H 7.642 0.02 1 1186 241 114 ASN HA H 4.912 0.02 1 1187 241 114 ASN HB2 H 3.154 0.02 2 1188 241 114 ASN HB3 H 2.580 0.02 2 1189 241 114 ASN HD21 H 7.642 0.02 2 1190 241 114 ASN HD22 H 6.990 0.02 2 1191 241 114 ASN C C 175.563 0.1 1 1192 241 114 ASN CA C 53.844 0.1 1 1193 241 114 ASN CB C 39.925 0.1 1 1194 241 114 ASN N N 115.343 0.1 1 1195 241 114 ASN ND2 N 114.502 0.1 1 1196 242 115 SER H H 6.992 0.02 1 1197 242 115 SER HA H 4.207 0.02 1 1198 242 115 SER HB2 H 4.036 0.02 1 1199 242 115 SER HB3 H 4.036 0.02 1 1200 242 115 SER C C 174.782 0.1 1 1201 242 115 SER CA C 61.033 0.1 1 1202 242 115 SER CB C 64.203 0.1 1 1203 242 115 SER N N 114.759 0.1 1 1204 243 116 SER H H 8.425 0.02 1 1205 243 116 SER HA H 4.484 0.02 1 1206 243 116 SER HB2 H 3.926 0.02 1 1207 243 116 SER HB3 H 3.926 0.02 1 1208 243 116 SER C C 174.463 0.1 1 1209 243 116 SER CA C 60.248 0.1 1 1210 243 116 SER CB C 64.200 0.1 1 1211 243 116 SER N N 115.530 0.1 1 1212 244 117 ASN H H 7.925 0.02 1 1213 244 117 ASN HA H 4.897 0.02 1 1214 244 117 ASN HB2 H 2.761 0.02 2 1215 244 117 ASN HB3 H 2.562 0.02 2 1216 244 117 ASN HD21 H 7.555 0.02 2 1217 244 117 ASN HD22 H 6.812 0.02 2 1218 244 117 ASN C C 172.523 0.1 1 1219 244 117 ASN CA C 53.609 0.1 1 1220 244 117 ASN CB C 39.786 0.1 1 1221 244 117 ASN N N 118.766 0.1 1 1222 244 117 ASN ND2 N 110.904 0.1 1 1223 245 118 LEU H H 8.478 0.02 1 1224 245 118 LEU HA H 4.758 0.02 1 1225 245 118 LEU HB2 H 1.581 0.02 2 1226 245 118 LEU HB3 H 1.990 0.02 2 1227 245 118 LEU HG H 1.544 0.02 1 1228 245 118 LEU HD1 H 1.113 0.02 2 1229 245 118 LEU HD2 H 1.095 0.02 2 1230 245 118 LEU C C 174.515 0.1 1 1231 245 118 LEU CA C 55.095 0.1 1 1232 245 118 LEU CB C 44.513 0.1 1 1233 245 118 LEU CG C 27.948 0.1 1 1234 245 118 LEU CD1 C 25.130 0.1 1 1235 245 118 LEU CD2 C 27.624 0.1 1 1236 245 118 LEU N N 125.229 0.1 1 1237 246 119 ILE H H 7.264 0.02 1 1238 246 119 ILE HA H 5.236 0.02 1 1239 246 119 ILE HB H 1.683 0.02 1 1240 246 119 ILE HG12 H 1.592 0.02 1 1241 246 119 ILE HG13 H 1.592 0.02 1 1242 246 119 ILE HG2 H 0.787 0.02 1 1243 246 119 ILE HD1 H 0.803 0.02 1 1244 246 119 ILE C C 175.715 0.1 1 1245 246 119 ILE CA C 59.700 0.1 1 1246 246 119 ILE CB C 39.546 0.1 1 1247 246 119 ILE CG1 C 28.013 0.1 1 1248 246 119 ILE CG2 C 17.913 0.1 1 1249 246 119 ILE CD1 C 13.104 0.1 1 1250 246 119 ILE N N 127.076 0.1 1 1251 247 120 ILE H H 9.372 0.02 1 1252 247 120 ILE HA H 5.091 0.02 1 1253 247 120 ILE HB H 1.618 0.02 1 1254 247 120 ILE HG12 H 1.716 0.02 1 1255 247 120 ILE HG13 H 1.716 0.02 1 1256 247 120 ILE HG2 H 0.916 0.02 1 1257 247 120 ILE HD1 H 0.776 0.02 1 1258 247 120 ILE C C 174.070 0.1 1 1259 247 120 ILE CA C 59.003 0.1 1 1260 247 120 ILE CB C 42.514 0.1 1 1261 247 120 ILE CG1 C 27.948 0.1 1 1262 247 120 ILE CG2 C 17.842 0.1 1 1263 247 120 ILE CD1 C 14.751 0.1 1 1264 247 120 ILE N N 127.529 0.1 1 1265 248 121 THR H H 8.801 0.02 1 1266 248 121 THR HA H 5.404 0.02 1 1267 248 121 THR HB H 3.919 0.02 1 1268 248 121 THR HG2 H 1.150 0.02 1 1269 248 121 THR C C 174.633 0.1 1 1270 248 121 THR CA C 61.609 0.1 1 1271 248 121 THR CB C 69.403 0.1 1 1272 248 121 THR CG2 C 22.393 0.1 1 1273 248 121 THR N N 123.554 0.1 1 1274 249 122 VAL H H 9.673 0.02 1 1275 249 122 VAL HA H 5.688 0.02 1 1276 249 122 VAL HB H 1.873 0.02 1 1277 249 122 VAL HG1 H 0.699 0.02 2 1278 249 122 VAL HG2 H 0.779 0.02 2 1279 249 122 VAL C C 175.188 0.1 1 1280 249 122 VAL CA C 57.994 0.1 1 1281 249 122 VAL CB C 36.197 0.1 1 1282 249 122 VAL CG1 C 21.796 0.1 1 1283 249 122 VAL CG2 C 17.913 0.1 1 1284 249 122 VAL N N 120.589 0.1 1 1285 250 123 LYS H H 9.095 0.02 1 1286 250 123 LYS HA H 5.128 0.02 1 1287 250 123 LYS HB2 H 1.395 0.02 2 1288 250 123 LYS HB3 H 1.915 0.02 2 1289 250 123 LYS HG2 H 1.139 0.02 2 1290 250 123 LYS HG3 H 1.244 0.02 2 1291 250 123 LYS HD2 H 1.638 0.02 1 1292 250 123 LYS HD3 H 1.638 0.02 1 1293 250 123 LYS HE2 H 2.959 0.02 2 1294 250 123 LYS HE3 H 2.901 0.02 2 1295 250 123 LYS CA C 53.197 0.1 1 1296 250 123 LYS CB C 34.098 0.1 1 1297 250 123 LYS CG C 25.035 0.1 1 1298 250 123 LYS CD C 29.890 0.1 1 1299 250 123 LYS CE C 42.745 0.1 1 1300 250 123 LYS N N 122.104 0.1 1 1301 251 124 PRO HA H 4.410 0.02 1 1302 251 124 PRO HB2 H 1.912 0.02 2 1303 251 124 PRO HB3 H 2.293 0.02 2 1304 251 124 PRO HG2 H 2.005 0.02 2 1305 251 124 PRO HG3 H 1.676 0.02 2 1306 251 124 PRO HD2 H 3.949 0.02 2 1307 251 124 PRO HD3 H 3.891 0.02 2 1308 251 124 PRO C C 176.858 0.1 1 1309 251 124 PRO CA C 62.783 0.1 1 1310 251 124 PRO CB C 33.127 0.1 1 1311 251 124 PRO CG C 27.624 0.1 1 1312 251 124 PRO CD C 52.200 0.1 1 1313 252 125 ALA H H 9.487 0.02 1 1314 252 125 ALA HA H 4.236 0.02 1 1315 252 125 ALA HB H 1.423 0.02 1 1316 252 125 ALA C C 178.548 0.1 1 1317 252 125 ALA CA C 53.690 0.1 1 1318 252 125 ALA CB C 19.196 0.1 1 1319 252 125 ALA N N 126.466 0.1 1 1320 253 126 ASN H H 8.528 0.02 1 1321 253 126 ASN HA H 4.706 0.02 1 1322 253 126 ASN HB2 H 2.803 0.02 1 1323 253 126 ASN HB3 H 2.803 0.02 1 1324 253 126 ASN HD21 H 7.598 0.02 2 1325 253 126 ASN HD22 H 6.884 0.02 2 1326 253 126 ASN C C 174.946 0.1 1 1327 253 126 ASN CA C 53.310 0.1 1 1328 253 126 ASN CB C 38.889 0.1 1 1329 253 126 ASN N N 116.048 0.1 1 1330 253 126 ASN ND2 N 112.960 0.1 1 1331 254 127 GLN H H 8.276 0.02 1 1332 254 127 GLN HA H 4.335 0.02 1 1333 254 127 GLN HB2 H 2.177 0.02 2 1334 254 127 GLN HB3 H 1.952 0.02 2 1335 254 127 GLN HG2 H 2.373 0.02 2 1336 254 127 GLN HG3 H 2.191 0.02 2 1337 254 127 GLN HE21 H 7.628 0.02 2 1338 254 127 GLN HE22 H 6.961 0.02 2 1339 254 127 GLN C C 175.089 0.1 1 1340 254 127 GLN CA C 56.270 0.1 1 1341 254 127 GLN CB C 29.890 0.1 1 1342 254 127 GLN CG C 34.150 0.1 1 1343 254 127 GLN N N 120.880 0.1 1 1344 254 127 GLN NE2 N 112.960 0.1 1 1345 255 128 ARG H H 7.976 0.02 1 1346 255 128 ARG C C 181.057 0.1 1 1347 255 128 ARG N N 127.618 0.1 1 stop_ save_