data_34191 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution NMR structure of EB1 C terminus (191-260) ; _BMRB_accession_number 34191 _BMRB_flat_file_name bmr34191.str _Entry_type original _Submission_date 2017-11-01 _Accession_date 2017-11-01 _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 Barsukov I. L. . 2 Almeida T. B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 792 "13C chemical shifts" 558 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-28 original BMRB . stop_ _Original_release_date 2019-03-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Targeting SxIP-EB1 interaction: An integrated approach to the discovery of small molecule modulators of dynamic binding sites. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29138501 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Almeida T. B. . 2 Carnell A. J. . 3 Barsukov I. L. . 4 Berry N. G. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 7 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15533 _Page_last 15533 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Microtubule-associated protein RP/EB family member 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 8049.979 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; DEAAELMQQVKVLKLTVEDL EKERDFYFGKLRNIELICQE NEGENDPVLQRIVDILYATD EGFVIPDEGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 191 ASP 2 192 GLU 3 193 ALA 4 194 ALA 5 195 GLU 6 196 LEU 7 197 MET 8 198 GLN 9 199 GLN 10 200 VAL 11 201 LYS 12 202 VAL 13 203 LEU 14 204 LYS 15 205 LEU 16 206 THR 17 207 VAL 18 208 GLU 19 209 ASP 20 210 LEU 21 211 GLU 22 212 LYS 23 213 GLU 24 214 ARG 25 215 ASP 26 216 PHE 27 217 TYR 28 218 PHE 29 219 GLY 30 220 LYS 31 221 LEU 32 222 ARG 33 223 ASN 34 224 ILE 35 225 GLU 36 226 LEU 37 227 ILE 38 228 CYS 39 229 GLN 40 230 GLU 41 231 ASN 42 232 GLU 43 233 GLY 44 234 GLU 45 235 ASN 46 236 ASP 47 237 PRO 48 238 VAL 49 239 LEU 50 240 GLN 51 241 ARG 52 242 ILE 53 243 VAL 54 244 ASP 55 245 ILE 56 246 LEU 57 247 TYR 58 248 ALA 59 249 THR 60 250 ASP 61 251 GLU 62 252 GLY 63 253 PHE 64 254 VAL 65 255 ILE 66 256 PRO 67 257 ASP 68 258 GLU 69 259 GLY 70 260 GLY 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 _Gene_mnemonic $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus Mapre1 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] End binding protein 1 (EB1), 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 191 1 ASP HA H 4.181 0.003 1 2 191 1 ASP HB2 H 2.906 0.005 1 3 191 1 ASP HB3 H 2.830 0.004 1 4 191 1 ASP CA C 53.106 0.016 1 5 191 1 ASP CB C 39.761 0.059 1 6 192 2 GLU HA H 4.090 0.003 1 7 192 2 GLU HB2 H 1.983 0.004 1 8 192 2 GLU HG2 H 2.264 0.005 1 9 192 2 GLU HG3 H 2.203 0.006 1 10 192 2 GLU CA C 58.878 0.025 1 11 192 2 GLU CB C 29.812 0.006 1 12 192 2 GLU CG C 36.380 0.042 1 13 193 3 ALA H H 8.462 0.003 1 14 193 3 ALA HA H 3.894 0.004 1 15 193 3 ALA HB H 1.337 0.005 1 16 193 3 ALA CA C 55.535 0.053 1 17 193 3 ALA CB C 17.735 0.034 1 18 193 3 ALA N N 121.463 0.013 1 19 194 4 ALA H H 7.975 0.003 1 20 194 4 ALA HA H 4.038 0.001 1 21 194 4 ALA HB H 1.434 0.002 1 22 194 4 ALA C C 180.151 . 1 23 194 4 ALA CA C 55.255 0.008 1 24 194 4 ALA CB C 18.207 0.04 1 25 194 4 ALA N N 119.816 0.01 1 26 195 5 GLU H H 7.808 0.0 1 27 195 5 GLU HA H 4.042 0.003 1 28 195 5 GLU HB2 H 2.123 0.003 1 29 195 5 GLU HB3 H 2.043 0.003 1 30 195 5 GLU HG2 H 2.338 0.002 1 31 195 5 GLU HG3 H 2.276 0.004 1 32 195 5 GLU C C 179.016 . 1 33 195 5 GLU CA C 59.067 0.045 1 34 195 5 GLU CB C 29.209 0.081 1 35 195 5 GLU CG C 36.203 0.043 1 36 195 5 GLU N N 118.577 0.008 1 37 196 6 LEU H H 8.278 0.001 1 38 196 6 LEU HA H 4.035 0.004 1 39 196 6 LEU HB2 H 1.931 0.005 1 40 196 6 LEU HB3 H 1.217 0.007 1 41 196 6 LEU HG H 1.763 0.007 1 42 196 6 LEU HD1 H 0.865 0.009 1 43 196 6 LEU HD2 H 0.826 0.006 1 44 196 6 LEU C C 177.891 . 1 45 196 6 LEU CA C 57.915 0.013 1 46 196 6 LEU CB C 43.188 0.035 1 47 196 6 LEU CG C 27.279 0.027 1 48 196 6 LEU CD1 C 26.891 0.042 1 49 196 6 LEU CD2 C 23.462 0.043 1 50 196 6 LEU N N 121.616 0.014 1 51 197 7 MET H H 8.524 0.002 1 52 197 7 MET HA H 3.998 0.003 1 53 197 7 MET HB2 H 2.063 0.007 1 54 197 7 MET HB3 H 2.147 0.005 1 55 197 7 MET HG2 H 2.617 0.003 1 56 197 7 MET HG3 H 2.560 0.003 1 57 197 7 MET HE H 2.021 0.002 1 58 197 7 MET C C 178.000 . 1 59 197 7 MET CA C 59.029 0.038 1 60 197 7 MET CB C 32.279 0.055 1 61 197 7 MET CG C 32.707 0.042 1 62 197 7 MET CE C 17.238 0.033 1 63 197 7 MET N N 118.417 0.007 1 64 198 8 GLN H H 7.543 0.001 1 65 198 8 GLN HA H 4.072 0.004 1 66 198 8 GLN HB2 H 2.158 0.003 1 67 198 8 GLN HG2 H 2.435 0.003 1 68 198 8 GLN HE21 H 7.302 0.001 1 69 198 8 GLN HE22 H 6.802 0.0 1 70 198 8 GLN C C 176.746 . 1 71 198 8 GLN CA C 58.471 0.062 1 72 198 8 GLN CB C 27.657 0.031 1 73 198 8 GLN CG C 33.152 0.027 1 74 198 8 GLN N N 118.959 0.012 1 75 198 8 GLN NE2 N 111.315 0.014 1 76 199 9 GLN H H 7.740 0.001 1 77 199 9 GLN HA H 4.007 0.004 1 78 199 9 GLN HB2 H 2.208 0.002 1 79 199 9 GLN HB3 H 2.113 0.006 1 80 199 9 GLN HG2 H 2.524 0.003 1 81 199 9 GLN HG3 H 2.283 0.003 1 82 199 9 GLN HE21 H 7.215 0.0 1 83 199 9 GLN HE22 H 6.705 0.001 1 84 199 9 GLN C C 177.854 0.002 1 85 199 9 GLN CA C 59.232 0.06 1 86 199 9 GLN CB C 28.562 0.029 1 87 199 9 GLN CG C 34.204 0.036 1 88 199 9 GLN N N 119.481 0.007 1 89 199 9 GLN NE2 N 110.100 0.006 1 90 200 10 VAL H H 8.329 0.002 1 91 200 10 VAL HA H 3.356 0.003 1 92 200 10 VAL HB H 2.152 0.005 1 93 200 10 VAL HG1 H 0.956 0.004 1 94 200 10 VAL HG2 H 0.802 0.009 1 95 200 10 VAL C C 175.906 . 1 96 200 10 VAL CA C 67.568 0.041 1 97 200 10 VAL CB C 31.798 0.045 1 98 200 10 VAL CG1 C 24.756 0.065 1 99 200 10 VAL CG2 C 21.136 0.046 1 100 200 10 VAL N N 119.502 0.008 1 101 201 11 LYS H H 7.603 0.002 1 102 201 11 LYS HA H 3.832 0.004 1 103 201 11 LYS HB2 H 1.907 0.004 1 104 201 11 LYS HG2 H 1.545 0.005 1 105 201 11 LYS HG3 H 1.288 0.002 1 106 201 11 LYS HD2 H 1.632 0.006 1 107 201 11 LYS HE2 H 2.893 0.004 1 108 201 11 LYS C C 178.507 . 1 109 201 11 LYS CA C 60.248 0.049 1 110 201 11 LYS CB C 32.314 0.016 1 111 201 11 LYS CG C 25.155 0.026 1 112 201 11 LYS CD C 29.514 0.029 1 113 201 11 LYS CE C 42.127 0.033 1 114 201 11 LYS N N 118.665 0.014 1 115 202 12 VAL H H 7.894 0.002 1 116 202 12 VAL HA H 3.658 0.003 1 117 202 12 VAL HB H 2.101 0.004 1 118 202 12 VAL HG1 H 1.049 0.003 1 119 202 12 VAL HG2 H 0.894 0.003 1 120 202 12 VAL C C 178.757 . 1 121 202 12 VAL CA C 66.337 0.017 1 122 202 12 VAL CB C 32.042 0.024 1 123 202 12 VAL CG1 C 22.633 0.032 1 124 202 12 VAL CG2 C 21.004 0.033 1 125 202 12 VAL N N 118.209 0.01 1 126 203 13 LEU H H 8.516 0.002 1 127 203 13 LEU HA H 3.990 0.006 1 128 203 13 LEU HB2 H 1.249 0.007 1 129 203 13 LEU HB3 H 2.058 0.005 1 130 203 13 LEU HG H 1.789 0.004 1 131 203 13 LEU HD1 H 0.831 0.007 1 132 203 13 LEU HD2 H 0.924 0.003 1 133 203 13 LEU C C 177.825 . 1 134 203 13 LEU CA C 58.420 0.084 1 135 203 13 LEU CB C 43.353 0.017 1 136 203 13 LEU CG C 27.974 0.083 1 137 203 13 LEU CD1 C 23.465 0.035 1 138 203 13 LEU CD2 C 27.675 0.036 1 139 203 13 LEU N N 123.025 0.008 1 140 204 14 LYS H H 8.708 0.002 1 141 204 14 LYS HA H 3.806 0.003 1 142 204 14 LYS HB2 H 1.899 . 1 143 204 14 LYS HG2 H 1.322 0.007 1 144 204 14 LYS HD2 H 1.538 0.003 1 145 204 14 LYS HD3 H 1.582 0.014 1 146 204 14 LYS HE2 H 2.830 0.014 1 147 204 14 LYS HE3 H 2.855 0.014 1 148 204 14 LYS C C 178.844 . 1 149 204 14 LYS CA C 60.774 0.017 1 150 204 14 LYS CB C 32.299 . 1 151 204 14 LYS CG C 26.715 0.007 1 152 204 14 LYS CD C 29.601 0.015 1 153 204 14 LYS CE C 41.874 0.037 1 154 204 14 LYS N N 119.105 0.017 1 155 205 15 LEU H H 7.496 0.001 1 156 205 15 LEU HA H 4.102 0.004 1 157 205 15 LEU HB2 H 1.853 0.004 1 158 205 15 LEU HB3 H 1.638 0.004 1 159 205 15 LEU HG H 1.752 0.004 1 160 205 15 LEU HD1 H 0.854 0.005 1 161 205 15 LEU HD2 H 0.830 0.001 1 162 205 15 LEU C C 177.775 . 1 163 205 15 LEU CA C 57.945 0.028 1 164 205 15 LEU CB C 41.367 0.032 1 165 205 15 LEU CG C 26.787 0.041 1 166 205 15 LEU CD1 C 25.035 0.045 1 167 205 15 LEU CD2 C 23.476 0.03 1 168 205 15 LEU N N 120.180 0.015 1 169 206 16 THR H H 8.059 0.003 1 170 206 16 THR HA H 3.940 0.004 1 171 206 16 THR HB H 4.428 0.007 1 172 206 16 THR HG2 H 1.264 0.003 1 173 206 16 THR C C 175.378 . 1 174 206 16 THR CA C 67.111 0.018 1 175 206 16 THR CB C 68.554 0.031 1 176 206 16 THR CG2 C 21.774 0.044 1 177 206 16 THR N N 117.992 0.015 1 178 207 17 VAL H H 8.427 0.004 1 179 207 17 VAL HA H 3.351 0.007 1 180 207 17 VAL HB H 2.173 0.014 1 181 207 17 VAL HG1 H 0.960 0.003 1 182 207 17 VAL HG2 H 0.799 0.008 1 183 207 17 VAL C C 175.860 . 1 184 207 17 VAL CA C 67.586 0.05 1 185 207 17 VAL CB C 31.899 0.078 1 186 207 17 VAL CG1 C 24.885 0.095 1 187 207 17 VAL CG2 C 21.125 0.052 1 188 207 17 VAL N N 121.631 0.018 1 189 208 18 GLU H H 7.595 0.001 1 190 208 18 GLU HA H 4.028 0.009 1 191 208 18 GLU HB2 H 2.127 0.004 1 192 208 18 GLU HB3 H 2.057 0.003 1 193 208 18 GLU HG2 H 2.447 0.005 1 194 208 18 GLU C C 178.619 . 1 195 208 18 GLU CA C 59.742 0.035 1 196 208 18 GLU CB C 29.555 0.055 1 197 208 18 GLU CG C 36.578 0.044 1 198 208 18 GLU N N 118.235 0.017 1 199 209 19 ASP H H 8.096 0.003 1 200 209 19 ASP HA H 4.394 0.003 1 201 209 19 ASP HB2 H 2.821 0.002 1 202 209 19 ASP HB3 H 2.638 0.002 1 203 209 19 ASP C C 178.553 . 1 204 209 19 ASP CA C 57.488 0.01 1 205 209 19 ASP CB C 40.395 0.035 1 206 209 19 ASP N N 119.958 0.008 1 207 210 20 LEU H H 8.502 0.004 1 208 210 20 LEU HA H 4.120 0.007 1 209 210 20 LEU HB2 H 2.074 0.006 1 210 210 20 LEU HB3 H 1.232 0.012 1 211 210 20 LEU HG H 1.861 0.006 1 212 210 20 LEU HD1 H 0.854 0.005 1 213 210 20 LEU HD2 H 0.960 0.003 1 214 210 20 LEU C C 178.429 . 1 215 210 20 LEU CA C 57.930 0.032 1 216 210 20 LEU CB C 44.282 0.018 1 217 210 20 LEU CG C 27.630 0.02 1 218 210 20 LEU CD1 C 24.162 0.043 1 219 210 20 LEU CD2 C 28.439 0.029 1 220 210 20 LEU N N 122.348 0.013 1 221 211 21 GLU H H 8.879 0.007 1 222 211 21 GLU HA H 3.677 0.006 1 223 211 21 GLU HB2 H 1.909 0.005 1 224 211 21 GLU HB3 H 2.209 0.007 1 225 211 21 GLU HG2 H 2.598 0.004 1 226 211 21 GLU HG3 H 2.023 0.007 1 227 211 21 GLU C C 177.319 . 1 228 211 21 GLU CA C 60.552 0.029 1 229 211 21 GLU CB C 29.641 0.033 1 230 211 21 GLU CG C 38.075 0.027 1 231 211 21 GLU N N 119.905 0.009 1 232 212 22 LYS H H 7.517 0.004 1 233 212 22 LYS HA H 4.042 0.004 1 234 212 22 LYS HB2 H 1.936 0.011 1 235 212 22 LYS HB3 H 1.879 0.002 1 236 212 22 LYS HG2 H 1.368 0.007 1 237 212 22 LYS HG3 H 1.609 0.003 1 238 212 22 LYS HE2 H 2.886 0.005 1 239 212 22 LYS C C 178.781 . 1 240 212 22 LYS CA C 59.737 0.04 1 241 212 22 LYS CB C 32.347 0.036 1 242 212 22 LYS CG C 25.207 0.024 1 243 212 22 LYS CE C 42.145 0.03 1 244 212 22 LYS N N 117.333 0.027 1 245 213 23 GLU H H 7.861 0.004 1 246 213 23 GLU HA H 3.797 0.003 1 247 213 23 GLU HB2 H 1.988 0.003 1 248 213 23 GLU HB3 H 2.006 0.006 1 249 213 23 GLU HG2 H 2.266 0.004 1 250 213 23 GLU HG3 H 1.963 0.002 1 251 213 23 GLU C C 176.508 . 1 252 213 23 GLU CA C 59.783 0.01 1 253 213 23 GLU CB C 30.548 0.052 1 254 213 23 GLU CG C 36.428 0.025 1 255 213 23 GLU N N 121.471 0.013 1 256 214 24 ARG H H 8.955 0.007 1 257 214 24 ARG HA H 3.929 0.006 1 258 214 24 ARG HB2 H 2.341 0.004 1 259 214 24 ARG HB3 H 1.868 0.005 1 260 214 24 ARG HG2 H 2.010 0.01 1 261 214 24 ARG HG3 H 2.028 . 1 262 214 24 ARG HD2 H 3.326 0.005 1 263 214 24 ARG HD3 H 3.264 0.004 1 264 214 24 ARG C C 177.769 0.002 1 265 214 24 ARG CA C 61.212 0.042 1 266 214 24 ARG CB C 28.814 0.036 1 267 214 24 ARG CG C 26.482 0.043 1 268 214 24 ARG CD C 42.197 0.016 1 269 214 24 ARG N N 118.934 0.019 1 270 215 25 ASP H H 8.790 0.008 1 271 215 25 ASP HA H 4.454 0.033 1 272 215 25 ASP HB2 H 2.713 0.088 1 273 215 25 ASP HB3 H 2.904 0.019 1 274 215 25 ASP C C 178.102 . 1 275 215 25 ASP CA C 57.531 0.034 1 276 215 25 ASP CB C 39.670 0.064 1 277 215 25 ASP N N 118.982 0.012 1 278 216 26 PHE H H 8.178 0.006 1 279 216 26 PHE HA H 4.472 0.004 1 280 216 26 PHE HB2 H 3.256 0.005 1 281 216 26 PHE HB3 H 3.093 0.004 1 282 216 26 PHE HD1 H 7.075 0.002 1 283 216 26 PHE HD2 H 7.075 0.002 1 284 216 26 PHE HE1 H 7.327 0.003 1 285 216 26 PHE HE2 H 7.327 0.003 1 286 216 26 PHE HZ H 7.315 0.003 1 287 216 26 PHE C C 177.756 . 1 288 216 26 PHE CA C 60.119 0.018 1 289 216 26 PHE CB C 39.108 0.017 1 290 216 26 PHE CD1 C 132.354 0.041 1 291 216 26 PHE CD2 C 132.354 0.041 1 292 216 26 PHE CE1 C 131.052 0.053 1 293 216 26 PHE CE2 C 131.052 0.053 1 294 216 26 PHE CZ C 129.804 0.051 1 295 216 26 PHE N N 124.680 0.016 1 296 217 27 TYR H H 8.152 0.006 1 297 217 27 TYR HA H 4.299 0.005 1 298 217 27 TYR HB2 H 3.275 0.006 1 299 217 27 TYR HB3 H 3.202 0.007 1 300 217 27 TYR HD1 H 7.056 0.004 1 301 217 27 TYR HD2 H 7.056 0.004 1 302 217 27 TYR HE1 H 6.946 0.004 1 303 217 27 TYR HE2 H 6.946 0.004 1 304 217 27 TYR C C 177.153 . 1 305 217 27 TYR CA C 58.715 0.044 1 306 217 27 TYR CB C 37.981 0.046 1 307 217 27 TYR CD1 C 131.753 0.034 1 308 217 27 TYR CD2 C 131.753 0.034 1 309 217 27 TYR CE1 C 119.169 0.039 1 310 217 27 TYR CE2 C 119.169 0.039 1 311 217 27 TYR N N 118.459 0.009 1 312 218 28 PHE H H 9.125 0.005 1 313 218 28 PHE HA H 3.602 0.002 1 314 218 28 PHE HB2 H 2.967 0.006 1 315 218 28 PHE HB3 H 2.927 0.013 1 316 218 28 PHE HD1 H 6.694 0.003 1 317 218 28 PHE HD2 H 6.694 0.003 1 318 218 28 PHE HE1 H 7.208 0.005 1 319 218 28 PHE HE2 H 7.208 0.005 1 320 218 28 PHE HZ H 7.218 0.005 1 321 218 28 PHE C C 176.464 . 1 322 218 28 PHE CA C 61.689 0.031 1 323 218 28 PHE CB C 39.235 0.037 1 324 218 28 PHE CD1 C 131.293 . 1 325 218 28 PHE CD2 C 131.293 . 1 326 218 28 PHE CE1 C 130.967 0.038 1 327 218 28 PHE CE2 C 130.967 0.038 1 328 218 28 PHE CZ C 129.673 0.058 1 329 218 28 PHE N N 120.359 0.008 1 330 219 29 GLY H H 8.429 0.007 1 331 219 29 GLY HA2 H 3.575 0.004 1 332 219 29 GLY HA3 H 3.873 0.005 1 333 219 29 GLY C C 175.746 . 1 334 219 29 GLY CA C 46.959 0.024 1 335 219 29 GLY N N 105.268 0.028 1 336 220 30 LYS H H 7.173 0.008 1 337 220 30 LYS HA H 3.835 0.004 1 338 220 30 LYS HB2 H 1.209 0.006 1 339 220 30 LYS HB3 H 2.071 0.006 1 340 220 30 LYS HG2 H 1.012 0.009 1 341 220 30 LYS HD2 H 1.388 0.009 1 342 220 30 LYS HD3 H 1.364 0.012 1 343 220 30 LYS HE2 H 2.618 0.005 1 344 220 30 LYS HE3 H 2.273 0.004 1 345 220 30 LYS C C 177.422 . 1 346 220 30 LYS CA C 60.376 0.04 1 347 220 30 LYS CB C 34.264 0.024 1 348 220 30 LYS CG C 26.077 0.063 1 349 220 30 LYS CD C 31.272 0.026 1 350 220 30 LYS CE C 42.428 0.032 1 351 220 30 LYS N N 120.562 0.017 1 352 221 31 LEU H H 7.488 0.006 1 353 221 31 LEU HA H 3.564 0.01 1 354 221 31 LEU HB2 H 1.110 0.006 1 355 221 31 LEU HB3 H 1.620 0.009 1 356 221 31 LEU HG H 1.568 0.009 1 357 221 31 LEU HD1 H 0.529 0.004 1 358 221 31 LEU HD2 H 0.820 0.004 1 359 221 31 LEU C C 177.842 . 1 360 221 31 LEU CA C 58.151 0.027 1 361 221 31 LEU CB C 40.356 0.042 1 362 221 31 LEU CG C 26.727 0.05 1 363 221 31 LEU CD1 C 23.619 0.04 1 364 221 31 LEU CD2 C 26.838 0.052 1 365 221 31 LEU N N 118.812 0.014 1 366 222 32 ARG H H 8.116 0.001 1 367 222 32 ARG HA H 3.792 0.004 1 368 222 32 ARG HB2 H 1.476 0.004 1 369 222 32 ARG HB3 H 1.648 0.004 1 370 222 32 ARG HG2 H 1.296 0.009 1 371 222 32 ARG HG3 H 1.252 0.015 1 372 222 32 ARG HD2 H 3.073 0.004 1 373 222 32 ARG HD3 H 2.943 0.004 1 374 222 32 ARG C C 177.647 . 1 375 222 32 ARG CA C 58.388 0.03 1 376 222 32 ARG CB C 29.290 0.096 1 377 222 32 ARG CG C 26.279 0.045 1 378 222 32 ARG CD C 42.937 0.02 1 379 222 32 ARG N N 119.261 0.012 1 380 223 33 ASN H H 7.732 0.002 1 381 223 33 ASN HA H 4.446 0.002 1 382 223 33 ASN HB2 H 2.794 0.004 1 383 223 33 ASN HB3 H 2.567 0.004 1 384 223 33 ASN HD21 H 7.269 0.001 1 385 223 33 ASN HD22 H 6.881 0.001 1 386 223 33 ASN C C 177.421 . 1 387 223 33 ASN CA C 56.184 0.008 1 388 223 33 ASN CB C 38.518 0.023 1 389 223 33 ASN N N 118.021 0.012 1 390 223 33 ASN ND2 N 112.247 0.007 1 391 224 34 ILE H H 8.327 0.009 1 392 224 34 ILE HA H 3.443 0.004 1 393 224 34 ILE HB H 1.794 0.006 1 394 224 34 ILE HG2 H 0.695 0.011 1 395 224 34 ILE HD1 H 0.538 0.006 1 396 224 34 ILE C C 176.282 . 1 397 224 34 ILE CA C 66.158 0.022 1 398 224 34 ILE CB C 38.008 0.026 1 399 224 34 ILE CG2 C 17.770 0.011 1 400 224 34 ILE CD1 C 13.922 0.019 1 401 224 34 ILE N N 122.295 0.02 1 402 225 35 GLU H H 8.564 0.004 1 403 225 35 GLU HA H 3.510 0.004 1 404 225 35 GLU HB2 H 2.174 . 1 405 225 35 GLU HG2 H 2.019 0.004 1 406 225 35 GLU HG3 H 2.169 0.007 1 407 225 35 GLU C C 177.353 . 1 408 225 35 GLU CA C 60.299 0.01 1 409 225 35 GLU CB C 30.302 . 1 410 225 35 GLU CG C 35.754 0.059 1 411 225 35 GLU N N 122.885 0.012 1 412 226 36 LEU H H 7.648 0.004 1 413 226 36 LEU HA H 3.989 0.004 1 414 226 36 LEU HB2 H 1.805 0.001 1 415 226 36 LEU HB3 H 1.551 0.003 1 416 226 36 LEU HG H 1.714 0.006 1 417 226 36 LEU HD1 H 0.794 0.002 1 418 226 36 LEU HD2 H 0.841 0.003 1 419 226 36 LEU C C 178.667 . 1 420 226 36 LEU CA C 58.361 0.058 1 421 226 36 LEU CB C 41.572 0.02 1 422 226 36 LEU CG C 26.851 0.029 1 423 226 36 LEU CD1 C 23.281 0.007 1 424 226 36 LEU CD2 C 24.973 0.011 1 425 226 36 LEU N N 118.367 0.027 1 426 227 37 ILE H H 7.370 0.003 1 427 227 37 ILE HA H 3.597 0.003 1 428 227 37 ILE HB H 1.856 0.004 1 429 227 37 ILE HG12 H 0.989 0.006 1 430 227 37 ILE HG2 H 0.734 0.012 1 431 227 37 ILE HD1 H 0.637 0.004 1 432 227 37 ILE C C 178.321 . 1 433 227 37 ILE CA C 64.983 0.026 1 434 227 37 ILE CB C 37.730 0.027 1 435 227 37 ILE CG1 C 29.086 0.026 1 436 227 37 ILE CG2 C 17.827 0.048 1 437 227 37 ILE CD1 C 14.275 0.05 1 438 227 37 ILE N N 119.822 0.014 1 439 228 38 CYS H H 8.099 0.004 1 440 228 38 CYS HA H 3.871 0.004 1 441 228 38 CYS HB2 H 2.490 0.005 1 442 228 38 CYS HB3 H 2.991 0.005 1 443 228 38 CYS HG H 2.272 0.005 1 444 228 38 CYS C C 176.427 . 1 445 228 38 CYS CA C 64.746 0.017 1 446 228 38 CYS CB C 26.337 0.03 1 447 228 38 CYS N N 118.535 0.018 1 448 229 39 GLN H H 8.277 0.003 1 449 229 39 GLN HA H 4.076 0.005 1 450 229 39 GLN HB2 H 2.147 0.007 1 451 229 39 GLN HB3 H 2.069 0.006 1 452 229 39 GLN HG2 H 2.511 0.003 1 453 229 39 GLN HG3 H 2.354 0.005 1 454 229 39 GLN HE21 H 7.359 0.0 1 455 229 39 GLN HE22 H 6.611 0.0 1 456 229 39 GLN C C 177.680 . 1 457 229 39 GLN CA C 58.413 0.046 1 458 229 39 GLN CB C 28.493 0.058 1 459 229 39 GLN CG C 33.979 0.031 1 460 229 39 GLN N N 119.448 0.018 1 461 229 39 GLN NE2 N 110.524 0.016 1 462 230 40 GLU H H 7.948 0.003 1 463 230 40 GLU HA H 4.051 0.005 1 464 230 40 GLU HB2 H 2.009 0.004 1 465 230 40 GLU HB3 H 2.093 0.006 1 466 230 40 GLU HG2 H 2.457 0.002 1 467 230 40 GLU C C 175.939 . 1 468 230 40 GLU CA C 58.172 0.047 1 469 230 40 GLU CB C 29.966 0.055 1 470 230 40 GLU CG C 36.401 0.037 1 471 230 40 GLU N N 118.976 0.007 1 472 231 41 ASN H H 7.345 0.004 1 473 231 41 ASN HA H 4.811 0.004 1 474 231 41 ASN HB2 H 2.812 0.005 1 475 231 41 ASN HB3 H 2.323 0.006 1 476 231 41 ASN HD21 H 7.728 0.003 1 477 231 41 ASN HD22 H 7.121 0.002 1 478 231 41 ASN C C 173.715 . 1 479 231 41 ASN CA C 53.457 0.04 1 480 231 41 ASN CB C 40.564 0.038 1 481 231 41 ASN N N 115.527 0.008 1 482 231 41 ASN ND2 N 116.122 0.014 1 483 232 42 GLU H H 7.693 0.004 1 484 232 42 GLU HA H 4.091 0.002 1 485 232 42 GLU HB2 H 2.075 0.003 1 486 232 42 GLU HB3 H 2.026 0.006 1 487 232 42 GLU HG2 H 2.258 0.002 1 488 232 42 GLU C C 176.498 . 1 489 232 42 GLU CA C 58.326 0.035 1 490 232 42 GLU CB C 29.517 0.054 1 491 232 42 GLU CG C 35.842 0.02 1 492 232 42 GLU N N 121.779 0.006 1 493 233 43 GLY H H 8.625 0.003 1 494 233 43 GLY HA2 H 3.839 0.003 1 495 233 43 GLY C C 173.441 . 1 496 233 43 GLY CA C 45.803 0.004 1 497 233 43 GLY N N 108.896 0.009 1 498 234 44 GLU H H 7.872 0.003 1 499 234 44 GLU HA H 4.168 0.004 1 500 234 44 GLU HB2 H 1.905 0.005 1 501 234 44 GLU HB3 H 2.077 0.006 1 502 234 44 GLU HG2 H 2.314 0.004 1 503 234 44 GLU C C 175.540 . 1 504 234 44 GLU CA C 56.450 0.028 1 505 234 44 GLU CB C 29.606 0.017 1 506 234 44 GLU CG C 35.804 0.048 1 507 234 44 GLU N N 118.336 0.007 1 508 235 45 ASN H H 8.229 0.003 1 509 235 45 ASN HA H 4.465 0.003 1 510 235 45 ASN HB2 H 2.660 0.004 1 511 235 45 ASN HB3 H 2.813 0.004 1 512 235 45 ASN HD21 H 7.467 0.004 1 513 235 45 ASN HD22 H 6.757 0.003 1 514 235 45 ASN C C 173.462 . 1 515 235 45 ASN CA C 53.389 0.039 1 516 235 45 ASN CB C 38.120 0.028 1 517 235 45 ASN N N 117.723 0.008 1 518 235 45 ASN ND2 N 112.251 0.012 1 519 236 46 ASP H H 8.338 0.003 1 520 236 46 ASP HA H 4.844 0.003 1 521 236 46 ASP HB2 H 2.735 0.007 1 522 236 46 ASP HB3 H 2.564 0.005 1 523 236 46 ASP C C 174.117 . 1 524 236 46 ASP CA C 52.184 0.026 1 525 236 46 ASP CB C 42.453 0.016 1 526 236 46 ASP N N 122.086 0.024 1 527 237 47 PRO HA H 4.255 0.002 1 528 237 47 PRO HB2 H 2.295 0.004 1 529 237 47 PRO HB3 H 1.910 0.005 1 530 237 47 PRO HG2 H 2.017 0.005 1 531 237 47 PRO HD2 H 3.924 0.003 1 532 237 47 PRO HD3 H 3.848 0.004 1 533 237 47 PRO C C 178.091 . 1 534 237 47 PRO CA C 64.990 0.024 1 535 237 47 PRO CB C 32.294 0.02 1 536 237 47 PRO CG C 27.446 0.022 1 537 237 47 PRO CD C 51.090 0.029 1 538 238 48 VAL H H 8.036 0.001 1 539 238 48 VAL HA H 3.549 0.004 1 540 238 48 VAL HB H 2.112 0.006 1 541 238 48 VAL HG1 H 0.872 0.006 1 542 238 48 VAL HG2 H 0.712 0.009 1 543 238 48 VAL C C 176.912 . 1 544 238 48 VAL CA C 66.340 0.016 1 545 238 48 VAL CB C 31.044 0.029 1 546 238 48 VAL CG1 C 22.748 0.041 1 547 238 48 VAL CG2 C 22.100 0.024 1 548 238 48 VAL N N 119.802 0.017 1 549 239 49 LEU H H 7.710 0.001 1 550 239 49 LEU HA H 3.837 0.005 1 551 239 49 LEU HB2 H 1.794 0.005 1 552 239 49 LEU HB3 H 1.474 0.005 1 553 239 49 LEU HG H 1.654 0.004 1 554 239 49 LEU HD1 H 0.677 0.003 1 555 239 49 LEU HD2 H 0.836 0.009 1 556 239 49 LEU C C 178.459 . 1 557 239 49 LEU CA C 57.658 0.013 1 558 239 49 LEU CB C 40.670 0.03 1 559 239 49 LEU CG C 27.180 0.059 1 560 239 49 LEU CD1 C 23.416 0.035 1 561 239 49 LEU CD2 C 25.742 0.037 1 562 239 49 LEU N N 119.043 0.008 1 563 240 50 GLN H H 8.112 0.002 1 564 240 50 GLN HA H 3.775 0.004 1 565 240 50 GLN HB2 H 1.952 0.003 1 566 240 50 GLN HB3 H 2.084 0.003 1 567 240 50 GLN HG3 H 2.311 0.007 1 568 240 50 GLN HE21 H 7.501 0.001 1 569 240 50 GLN HE22 H 6.727 0.002 1 570 240 50 GLN C C 176.840 . 1 571 240 50 GLN CA C 58.637 0.021 1 572 240 50 GLN CB C 28.072 0.041 1 573 240 50 GLN CG C 33.808 0.037 1 574 240 50 GLN N N 116.615 0.009 1 575 240 50 GLN NE2 N 113.748 0.017 1 576 241 51 ARG H H 7.314 0.001 1 577 241 51 ARG HA H 4.054 0.006 1 578 241 51 ARG HB2 H 1.981 0.005 1 579 241 51 ARG HB3 H 1.907 0.006 1 580 241 51 ARG HG2 H 1.656 0.004 1 581 241 51 ARG HD2 H 3.234 0.003 1 582 241 51 ARG HD3 H 3.043 0.004 1 583 241 51 ARG C C 178.405 . 1 584 241 51 ARG CA C 59.111 0.01 1 585 241 51 ARG CB C 30.490 0.045 1 586 241 51 ARG CG C 27.333 0.035 1 587 241 51 ARG CD C 44.129 0.028 1 588 241 51 ARG N N 117.776 0.02 1 589 242 52 ILE H H 7.474 0.002 1 590 242 52 ILE HA H 3.387 0.001 1 591 242 52 ILE HB H 2.056 0.003 1 592 242 52 ILE HG2 H 0.566 0.011 1 593 242 52 ILE HD1 H 0.604 0.018 1 594 242 52 ILE C C 176.235 . 1 595 242 52 ILE CA C 66.142 0.009 1 596 242 52 ILE CB C 37.475 0.021 1 597 242 52 ILE CG2 C 16.756 0.014 1 598 242 52 ILE CD1 C 13.884 0.131 1 599 242 52 ILE N N 120.127 0.014 1 600 243 53 VAL H H 8.440 0.006 1 601 243 53 VAL HA H 3.284 0.003 1 602 243 53 VAL HB H 2.064 0.004 1 603 243 53 VAL HG1 H 0.833 0.003 1 604 243 53 VAL HG2 H 0.925 0.003 1 605 243 53 VAL C C 176.149 . 1 606 243 53 VAL CA C 67.248 0.027 1 607 243 53 VAL CB C 31.364 0.015 1 608 243 53 VAL CG1 C 21.848 0.013 1 609 243 53 VAL CG2 C 23.497 0.023 1 610 243 53 VAL N N 121.934 0.017 1 611 244 54 ASP H H 7.964 0.006 1 612 244 54 ASP HA H 4.323 0.003 1 613 244 54 ASP HB2 H 2.551 0.004 1 614 244 54 ASP HB3 H 2.726 0.003 1 615 244 54 ASP C C 178.727 . 1 616 244 54 ASP CA C 57.207 0.011 1 617 244 54 ASP CB C 40.061 0.021 1 618 244 54 ASP N N 118.129 0.012 1 619 245 55 ILE H H 7.252 0.004 1 620 245 55 ILE HA H 3.699 0.003 1 621 245 55 ILE HB H 1.983 0.011 1 622 245 55 ILE HG12 H 1.189 0.006 1 623 245 55 ILE HG13 H 1.514 0.005 1 624 245 55 ILE HG2 H 0.824 0.003 1 625 245 55 ILE HD1 H 0.645 0.011 1 626 245 55 ILE C C 177.617 . 1 627 245 55 ILE CA C 63.775 0.017 1 628 245 55 ILE CB C 37.386 0.035 1 629 245 55 ILE CG1 C 28.686 0.028 1 630 245 55 ILE CG2 C 17.756 0.026 1 631 245 55 ILE CD1 C 13.694 0.05 1 632 245 55 ILE N N 119.467 0.01 1 633 246 56 LEU H H 8.324 0.005 1 634 246 56 LEU HA H 3.590 0.005 1 635 246 56 LEU HB2 H 1.699 0.007 1 636 246 56 LEU HB3 H 0.902 0.005 1 637 246 56 LEU HD1 H 0.601 0.005 1 638 246 56 LEU HD2 H 0.557 0.004 1 639 246 56 LEU C C 178.600 . 1 640 246 56 LEU CA C 58.528 0.034 1 641 246 56 LEU CB C 41.429 0.02 1 642 246 56 LEU CD1 C 25.948 0.026 1 643 246 56 LEU CD2 C 24.040 0.033 1 644 246 56 LEU N N 120.564 0.017 1 645 247 57 TYR H H 7.770 0.002 1 646 247 57 TYR HA H 4.661 0.005 1 647 247 57 TYR HB2 H 2.795 0.005 1 648 247 57 TYR HB3 H 3.296 0.006 1 649 247 57 TYR HD1 H 7.099 0.002 1 650 247 57 TYR HD2 H 7.099 0.002 1 651 247 57 TYR HE1 H 6.693 0.002 1 652 247 57 TYR HE2 H 6.693 0.002 1 653 247 57 TYR C C 175.005 . 1 654 247 57 TYR CA C 56.924 0.018 1 655 247 57 TYR CB C 37.580 0.031 1 656 247 57 TYR CD1 C 132.463 0.033 1 657 247 57 TYR CD2 C 132.463 0.033 1 658 247 57 TYR CE1 C 117.828 0.031 1 659 247 57 TYR CE2 C 117.828 0.031 1 660 247 57 TYR N N 114.638 0.014 1 661 248 58 ALA H H 7.292 0.001 1 662 248 58 ALA HA H 4.354 0.003 1 663 248 58 ALA HB H 1.516 0.003 1 664 248 58 ALA C C 177.853 . 1 665 248 58 ALA CA C 53.402 0.022 1 666 248 58 ALA CB C 18.960 0.022 1 667 248 58 ALA N N 124.024 0.008 1 668 249 59 THR H H 8.559 0.002 1 669 249 59 THR HA H 4.621 0.004 1 670 249 59 THR HB H 4.327 0.003 1 671 249 59 THR HG2 H 1.244 0.004 1 672 249 59 THR C C 173.343 . 1 673 249 59 THR CA C 61.082 0.054 1 674 249 59 THR CB C 70.479 0.014 1 675 249 59 THR CG2 C 21.633 0.028 1 676 249 59 THR N N 114.051 0.004 1 677 250 60 ASP H H 8.331 0.0 1 678 250 60 ASP HA H 4.519 0.005 1 679 250 60 ASP HB2 H 2.420 0.006 1 680 250 60 ASP HB3 H 2.274 0.006 1 681 250 60 ASP C C 175.261 . 1 682 250 60 ASP CA C 54.082 0.033 1 683 250 60 ASP CB C 41.140 0.052 1 684 250 60 ASP N N 121.459 0.006 1 685 251 61 GLU H H 8.401 0.0 1 686 251 61 GLU HA H 4.134 0.003 1 687 251 61 GLU HB2 H 1.823 0.003 1 688 251 61 GLU HB3 H 1.968 0.002 1 689 251 61 GLU HG2 H 2.184 0.004 1 690 251 61 GLU HG3 H 2.149 0.001 1 691 251 61 GLU C C 175.918 . 1 692 251 61 GLU CA C 57.029 0.022 1 693 251 61 GLU CB C 30.070 0.02 1 694 251 61 GLU CG C 36.288 0.069 1 695 251 61 GLU N N 121.695 0.002 1 696 252 62 GLY H H 8.350 0.001 1 697 252 62 GLY HA3 H 3.775 0.004 1 698 252 62 GLY C C 172.607 . 1 699 252 62 GLY CA C 45.305 0.007 1 700 252 62 GLY N N 109.185 0.008 1 701 253 63 PHE H H 7.851 0.004 1 702 253 63 PHE HA H 4.527 0.006 1 703 253 63 PHE HB2 H 2.958 0.003 1 704 253 63 PHE HB3 H 2.919 0.005 1 705 253 63 PHE HD1 H 7.100 0.002 1 706 253 63 PHE HD2 H 7.100 0.002 1 707 253 63 PHE HE1 H 7.224 0.011 1 708 253 63 PHE HE2 H 7.224 0.011 1 709 253 63 PHE HZ H 7.178 0.002 1 710 253 63 PHE C C 174.036 . 1 711 253 63 PHE CA C 57.598 0.036 1 712 253 63 PHE CB C 39.713 0.028 1 713 253 63 PHE CD1 C 131.664 0.062 1 714 253 63 PHE CD2 C 131.664 0.062 1 715 253 63 PHE CE1 C 131.365 0.127 1 716 253 63 PHE CE2 C 131.365 0.127 1 717 253 63 PHE CZ C 129.640 0.005 1 718 253 63 PHE N N 119.994 0.003 1 719 254 64 VAL H H 7.899 0.004 1 720 254 64 VAL HA H 3.960 0.004 1 721 254 64 VAL HB H 1.817 0.003 1 722 254 64 VAL HG1 H 0.730 0.004 1 723 254 64 VAL HG2 H 0.784 0.003 1 724 254 64 VAL C C 174.199 . 1 725 254 64 VAL CA C 61.738 0.017 1 726 254 64 VAL CB C 33.146 0.037 1 727 254 64 VAL CG1 C 21.006 0.03 1 728 254 64 VAL CG2 C 20.735 0.031 1 729 254 64 VAL N N 123.570 0.023 1 730 255 65 ILE H H 8.250 0.001 1 731 255 65 ILE HA H 4.271 0.003 1 732 255 65 ILE HB H 1.763 0.003 1 733 255 65 ILE HG12 H 1.473 0.004 1 734 255 65 ILE HG13 H 1.121 0.004 1 735 255 65 ILE HG2 H 0.887 0.004 1 736 255 65 ILE HD1 H 0.822 0.004 1 737 255 65 ILE C C 173.552 . 1 738 255 65 ILE CA C 58.555 0.024 1 739 255 65 ILE CB C 38.490 0.022 1 740 255 65 ILE CG1 C 27.287 0.045 1 741 255 65 ILE CG2 C 17.039 0.008 1 742 255 65 ILE CD1 C 12.815 0.033 1 743 255 65 ILE N N 127.587 0.003 1 744 256 66 PRO HA H 4.291 0.004 1 745 256 66 PRO HB2 H 1.825 0.007 1 746 256 66 PRO HB3 H 2.191 0.004 1 747 256 66 PRO HG2 H 1.956 0.006 1 748 256 66 PRO HG3 H 1.890 0.003 1 749 256 66 PRO HD2 H 3.842 0.003 1 750 256 66 PRO HD3 H 3.631 0.004 1 751 256 66 PRO C C 175.462 . 1 752 256 66 PRO CA C 63.083 0.042 1 753 256 66 PRO CB C 32.224 0.035 1 754 256 66 PRO CG C 27.308 0.051 1 755 256 66 PRO CD C 51.124 0.005 1 756 257 67 ASP H H 8.295 0.001 1 757 257 67 ASP HA H 4.480 0.003 1 758 257 67 ASP HB2 H 2.531 0.005 1 759 257 67 ASP HB3 H 2.615 0.006 1 760 257 67 ASP C C 175.446 . 1 761 257 67 ASP CA C 54.305 0.009 1 762 257 67 ASP CB C 41.287 0.028 1 763 257 67 ASP N N 121.048 0.004 1 764 258 68 GLU H H 8.387 0.003 1 765 258 68 GLU HA H 4.219 0.003 1 766 258 68 GLU HB2 H 2.029 0.008 1 767 258 68 GLU HB3 H 1.864 0.007 1 768 258 68 GLU HG2 H 2.169 0.007 1 769 258 68 GLU C C 175.987 . 1 770 258 68 GLU CA C 56.714 0.015 1 771 258 68 GLU CB C 30.264 0.042 1 772 258 68 GLU CG C 36.159 0.014 1 773 258 68 GLU N N 121.776 0.004 1 774 259 69 GLY H H 8.427 0.001 1 775 259 69 GLY HA2 H 3.859 . 1 776 259 69 GLY C C 172.788 . 1 777 259 69 GLY CA C 45.404 . 1 778 259 69 GLY N N 110.205 0.005 1 779 260 70 GLY H H 7.883 . 1 780 260 70 GLY HA2 H 3.685 . 1 781 260 70 GLY C C 178.140 . 1 782 260 70 GLY CA C 46.026 . 1 783 260 70 GLY N N 115.135 . 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 2' _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 1 191 1 ASP HA H 4.180 . 1 2 191 1 ASP HB2 H 2.901 . 1 3 191 1 ASP HB3 H 2.833 . 1 4 191 1 ASP CA C 53.148 . 1 5 191 1 ASP CB C 39.727 . 1 6 192 2 GLU HA H 4.090 . 1 7 192 2 GLU HG2 H 2.261 . 1 8 192 2 GLU HG3 H 2.202 . 1 9 192 2 GLU CA C 58.943 . 1 10 192 2 GLU CG C 36.390 0.006 1 11 193 3 ALA H H 8.462 . 1 12 193 3 ALA HA H 3.897 . 1 13 193 3 ALA HB H 1.339 . 1 14 193 3 ALA CA C 55.576 . 1 15 193 3 ALA CB C 17.754 . 1 16 193 3 ALA N N 121.466 . 1 17 194 4 ALA H H 7.975 . 1 18 194 4 ALA HA H 4.038 . 1 19 194 4 ALA HB H 1.435 . 1 20 194 4 ALA CA C 55.263 . 1 21 194 4 ALA CB C 18.213 . 1 22 194 4 ALA N N 119.827 . 1 23 195 5 GLU H H 7.808 . 1 24 195 5 GLU HA H 4.047 . 1 25 195 5 GLU HB2 H 2.125 . 1 26 195 5 GLU HB3 H 2.045 . 1 27 195 5 GLU HG2 H 2.337 . 1 28 195 5 GLU HG3 H 2.271 . 1 29 195 5 GLU CA C 59.067 . 1 30 195 5 GLU CB C 29.126 0.013 1 31 195 5 GLU CG C 36.200 0.001 1 32 195 5 GLU N N 118.594 . 1 33 196 6 LEU H H 8.279 . 1 34 196 6 LEU HA H 4.032 . 1 35 196 6 LEU HB2 H 1.929 . 1 36 196 6 LEU HB3 H 1.206 . 1 37 196 6 LEU HG H 1.763 . 1 38 196 6 LEU HD1 H 0.867 . 1 39 196 6 LEU HD2 H 0.829 . 1 40 196 6 LEU CA C 57.908 . 1 41 196 6 LEU CB C 43.173 0.006 1 42 196 6 LEU CG C 27.281 . 1 43 196 6 LEU CD1 C 26.836 . 1 44 196 6 LEU CD2 C 23.454 . 1 45 196 6 LEU N N 121.626 . 1 46 197 7 MET H H 8.525 . 1 47 197 7 MET HA H 3.998 . 1 48 197 7 MET HB2 H 2.063 . 1 49 197 7 MET HB3 H 2.144 . 1 50 197 7 MET HG2 H 2.615 . 1 51 197 7 MET HG3 H 2.562 . 1 52 197 7 MET HE H 2.023 . 1 53 197 7 MET CA C 59.025 . 1 54 197 7 MET CB C 32.269 0.002 1 55 197 7 MET CG C 32.723 0.001 1 56 197 7 MET CE C 17.246 . 1 57 197 7 MET N N 118.431 . 1 58 198 8 GLN H H 7.543 . 1 59 198 8 GLN HA H 4.072 . 1 60 198 8 GLN HB2 H 2.159 . 1 61 198 8 GLN HG2 H 2.434 . 1 62 198 8 GLN HE21 H 7.305 . 1 63 198 8 GLN HE22 H 6.804 . 1 64 198 8 GLN CA C 58.547 . 1 65 198 8 GLN CB C 27.628 . 1 66 198 8 GLN CG C 33.119 . 1 67 198 8 GLN N N 118.963 . 1 68 198 8 GLN NE2 N 111.339 0.0 1 69 199 9 GLN H H 7.740 . 1 70 199 9 GLN HA H 4.006 . 1 71 199 9 GLN HB2 H 2.210 . 1 72 199 9 GLN HB3 H 2.112 . 1 73 199 9 GLN HG2 H 2.531 . 1 74 199 9 GLN HG3 H 2.283 . 1 75 199 9 GLN HE21 H 7.218 . 1 76 199 9 GLN HE22 H 6.707 . 1 77 199 9 GLN CA C 59.243 . 1 78 199 9 GLN CB C 28.532 0.0 1 79 199 9 GLN CG C 34.213 0.004 1 80 199 9 GLN N N 119.492 . 1 81 199 9 GLN NE2 N 110.123 0.0 1 82 200 10 VAL H H 8.328 . 1 83 200 10 VAL HA H 3.360 0.012 1 84 200 10 VAL HB H 2.156 . 1 85 200 10 VAL HG1 H 0.954 . 1 86 200 10 VAL HG2 H 0.807 . 1 87 200 10 VAL CA C 67.565 0.046 1 88 200 10 VAL CB C 31.796 . 1 89 200 10 VAL CG1 C 24.671 . 1 90 200 10 VAL CG2 C 21.255 . 1 91 200 10 VAL N N 119.513 . 1 92 201 11 LYS H H 7.603 . 1 93 201 11 LYS HA H 3.841 . 1 94 201 11 LYS HB2 H 1.912 . 1 95 201 11 LYS HG2 H 1.544 . 1 96 201 11 LYS HG3 H 1.288 . 1 97 201 11 LYS HD2 H 1.617 . 1 98 201 11 LYS HE2 H 2.891 . 1 99 201 11 LYS CA C 60.211 . 1 100 201 11 LYS CB C 32.340 . 1 101 201 11 LYS CG C 25.113 0.0 1 102 201 11 LYS CD C 29.542 . 1 103 201 11 LYS CE C 42.146 . 1 104 201 11 LYS N N 118.682 . 1 105 202 12 VAL H H 7.893 . 1 106 202 12 VAL HA H 3.658 . 1 107 202 12 VAL HB H 2.100 . 1 108 202 12 VAL HG1 H 1.049 . 1 109 202 12 VAL HG2 H 0.893 . 1 110 202 12 VAL CA C 66.321 . 1 111 202 12 VAL CB C 32.042 . 1 112 202 12 VAL CG1 C 22.636 . 1 113 202 12 VAL CG2 C 20.988 . 1 114 202 12 VAL N N 118.207 . 1 115 203 13 LEU H H 8.515 . 1 116 203 13 LEU HA H 3.998 . 1 117 203 13 LEU HB2 H 1.255 . 1 118 203 13 LEU HB3 H 2.059 . 1 119 203 13 LEU HG H 1.790 . 1 120 203 13 LEU HD1 H 0.839 . 1 121 203 13 LEU HD2 H 0.924 . 1 122 203 13 LEU CA C 58.489 . 1 123 203 13 LEU CB C 43.335 0.006 1 124 203 13 LEU CG C 28.030 . 1 125 203 13 LEU CD1 C 23.398 . 1 126 203 13 LEU CD2 C 27.650 . 1 127 203 13 LEU N N 123.026 . 1 128 204 14 LYS H H 8.709 . 1 129 204 14 LYS HA H 3.807 . 1 130 204 14 LYS HB2 H 1.893 . 1 131 204 14 LYS HG2 H 1.324 . 1 132 204 14 LYS HD2 H 1.537 . 1 133 204 14 LYS HD3 H 1.586 . 1 134 204 14 LYS HE2 H 2.822 . 1 135 204 14 LYS HE3 H 2.857 . 1 136 204 14 LYS CA C 60.776 . 1 137 204 14 LYS CB C 32.269 . 1 138 204 14 LYS CG C 26.726 . 1 139 204 14 LYS CD C 29.631 0.002 1 140 204 14 LYS CE C 41.878 0.006 1 141 204 14 LYS N N 119.116 . 1 142 205 15 LEU H H 7.492 . 1 143 205 15 LEU HA H 4.100 . 1 144 205 15 LEU HB2 H 1.852 . 1 145 205 15 LEU HB3 H 1.639 . 1 146 205 15 LEU HG H 1.748 . 1 147 205 15 LEU HD1 H 0.858 . 1 148 205 15 LEU HD2 H 0.846 . 1 149 205 15 LEU CA C 57.942 . 1 150 205 15 LEU CB C 41.351 0.002 1 151 205 15 LEU CG C 26.786 . 1 152 205 15 LEU CD1 C 25.084 . 1 153 205 15 LEU CD2 C 23.488 . 1 154 205 15 LEU N N 120.184 . 1 155 206 16 THR H H 8.058 . 1 156 206 16 THR HA H 3.940 . 1 157 206 16 THR HB H 4.428 . 1 158 206 16 THR HG2 H 1.268 . 1 159 206 16 THR CA C 67.104 . 1 160 206 16 THR CB C 68.565 . 1 161 206 16 THR CG2 C 21.818 . 1 162 206 16 THR N N 118.010 . 1 163 207 17 VAL H H 8.425 . 1 164 207 17 VAL HA H 3.352 0.012 1 165 207 17 VAL HB H 2.186 . 1 166 207 17 VAL HG1 H 0.965 . 1 167 207 17 VAL HG2 H 0.797 . 1 168 207 17 VAL CA C 67.598 0.046 1 169 207 17 VAL CB C 31.893 . 1 170 207 17 VAL CG1 C 24.906 . 1 171 207 17 VAL CG2 C 21.040 . 1 172 207 17 VAL N N 121.627 . 1 173 208 18 GLU H H 7.593 . 1 174 208 18 GLU HA H 4.026 . 1 175 208 18 GLU HB2 H 2.130 . 1 176 208 18 GLU HB3 H 2.056 . 1 177 208 18 GLU HG2 H 2.442 . 1 178 208 18 GLU CA C 59.764 . 1 179 208 18 GLU CB C 29.548 0.003 1 180 208 18 GLU CG C 36.568 . 1 181 208 18 GLU N N 118.235 . 1 182 209 19 ASP H H 8.094 . 1 183 209 19 ASP HA H 4.395 . 1 184 209 19 ASP HB2 H 2.824 . 1 185 209 19 ASP HB3 H 2.647 . 1 186 209 19 ASP CA C 57.508 . 1 187 209 19 ASP CB C 40.386 0.019 1 188 209 19 ASP N N 119.958 . 1 189 210 20 LEU H H 8.502 . 1 190 210 20 LEU HA H 4.124 . 1 191 210 20 LEU HB2 H 2.083 . 1 192 210 20 LEU HB3 H 1.216 . 1 193 210 20 LEU HG H 1.869 . 1 194 210 20 LEU HD1 H 0.855 . 1 195 210 20 LEU HD2 H 0.961 . 1 196 210 20 LEU CA C 57.887 . 1 197 210 20 LEU CB C 44.247 0.004 1 198 210 20 LEU CG C 27.611 . 1 199 210 20 LEU CD1 C 24.146 . 1 200 210 20 LEU CD2 C 28.448 . 1 201 210 20 LEU N N 122.361 . 1 202 211 21 GLU H H 8.879 . 1 203 211 21 GLU HA H 3.677 . 1 204 211 21 GLU HB2 H 1.906 . 1 205 211 21 GLU HB3 H 2.213 . 1 206 211 21 GLU HG2 H 2.598 . 1 207 211 21 GLU HG3 H 2.024 . 1 208 211 21 GLU CA C 60.543 . 1 209 211 21 GLU CB C 29.658 0.031 1 210 211 21 GLU CG C 38.061 0.005 1 211 211 21 GLU N N 119.917 . 1 212 212 22 LYS H H 7.517 . 1 213 212 22 LYS HA H 4.043 . 1 214 212 22 LYS HB2 H 1.944 . 1 215 212 22 LYS HB3 H 1.878 . 1 216 212 22 LYS HG2 H 1.370 . 1 217 212 22 LYS HG3 H 1.610 . 1 218 212 22 LYS HE2 H 2.879 . 1 219 212 22 LYS CA C 59.743 . 1 220 212 22 LYS CB C 32.353 0.008 1 221 212 22 LYS CG C 25.176 0.005 1 222 212 22 LYS CE C 42.152 . 1 223 212 22 LYS N N 117.343 . 1 224 213 23 GLU H H 7.858 . 1 225 213 23 GLU HA H 3.795 . 1 226 213 23 GLU HB2 H 2.015 . 1 227 213 23 GLU HB3 H 1.986 . 1 228 213 23 GLU HG2 H 2.270 . 1 229 213 23 GLU HG3 H 1.964 . 1 230 213 23 GLU CA C 59.767 . 1 231 213 23 GLU CB C 30.616 0.006 1 232 213 23 GLU CG C 36.445 0.001 1 233 213 23 GLU N N 121.492 . 1 234 214 24 ARG H H 8.953 . 1 235 214 24 ARG HA H 3.925 . 1 236 214 24 ARG HB2 H 2.346 . 1 237 214 24 ARG HB3 H 1.877 . 1 238 214 24 ARG HG2 H 2.002 . 1 239 214 24 ARG HG3 H 2.024 . 1 240 214 24 ARG HD2 H 3.330 . 1 241 214 24 ARG HD3 H 3.264 . 1 242 214 24 ARG CA C 61.171 . 1 243 214 24 ARG CB C 28.796 0.005 1 244 214 24 ARG CG C 26.481 0.007 1 245 214 24 ARG CD C 42.218 0.003 1 246 214 24 ARG N N 118.933 . 1 247 215 25 ASP H H 8.788 . 1 248 215 25 ASP HA H 4.428 . 1 249 215 25 ASP HB2 H 2.677 . 1 250 215 25 ASP HB3 H 2.883 . 1 251 215 25 ASP CA C 57.506 . 1 252 215 25 ASP CB C 39.629 0.0 1 253 215 25 ASP N N 118.991 . 1 254 216 26 PHE H H 8.178 . 1 255 216 26 PHE HA H 4.471 . 1 256 216 26 PHE HB2 H 3.248 . 1 257 216 26 PHE HB3 H 3.095 . 1 258 216 26 PHE HD1 H 7.074 . 1 259 216 26 PHE HD2 H 7.074 . 1 260 216 26 PHE HE1 H 7.331 . 1 261 216 26 PHE HE2 H 7.331 . 1 262 216 26 PHE HZ H 7.311 . 1 263 216 26 PHE CA C 60.128 . 1 264 216 26 PHE CB C 39.122 0.005 1 265 216 26 PHE CD1 C 132.267 . 1 266 216 26 PHE CD2 C 132.267 . 1 267 216 26 PHE CE1 C 131.287 . 1 268 216 26 PHE CE2 C 131.287 . 1 269 216 26 PHE CZ C 129.670 . 1 270 216 26 PHE N N 124.687 . 1 271 217 27 TYR H H 8.146 . 1 272 217 27 TYR HA H 4.323 . 1 273 217 27 TYR HB2 H 3.270 . 1 274 217 27 TYR HB3 H 3.190 . 1 275 217 27 TYR HD1 H 7.057 . 1 276 217 27 TYR HD2 H 7.057 . 1 277 217 27 TYR HE1 H 6.946 . 1 278 217 27 TYR HE2 H 6.946 . 1 279 217 27 TYR CA C 58.792 . 1 280 217 27 TYR CB C 37.982 . 1 281 217 27 TYR CD1 C 131.768 . 1 282 217 27 TYR CD2 C 131.768 . 1 283 217 27 TYR CE1 C 119.154 . 1 284 217 27 TYR CE2 C 119.154 . 1 285 217 27 TYR N N 118.460 . 1 286 218 28 PHE H H 9.122 . 1 287 218 28 PHE HA H 3.602 . 1 288 218 28 PHE HB2 H 2.982 . 1 289 218 28 PHE HB3 H 2.938 . 1 290 218 28 PHE HD1 H 6.693 . 1 291 218 28 PHE HD2 H 6.693 . 1 292 218 28 PHE HE1 H 7.208 . 1 293 218 28 PHE HE2 H 7.208 . 1 294 218 28 PHE HZ H 7.223 . 1 295 218 28 PHE CA C 61.682 . 1 296 218 28 PHE CB C 39.197 0.009 1 297 218 28 PHE CD1 C 131.293 . 1 298 218 28 PHE CD2 C 131.293 . 1 299 218 28 PHE CE1 C 130.953 . 1 300 218 28 PHE CE2 C 130.953 . 1 301 218 28 PHE CZ C 129.621 . 1 302 218 28 PHE N N 120.365 . 1 303 219 29 GLY H H 8.428 . 1 304 219 29 GLY HA2 H 3.575 . 1 305 219 29 GLY HA3 H 3.868 . 1 306 219 29 GLY CA C 46.959 0.004 1 307 219 29 GLY N N 105.293 . 1 308 220 30 LYS H H 7.173 . 1 309 220 30 LYS HA H 3.837 . 1 310 220 30 LYS HB2 H 1.205 . 1 311 220 30 LYS HB3 H 2.072 . 1 312 220 30 LYS HG2 H 1.010 . 1 313 220 30 LYS HD2 H 1.385 . 1 314 220 30 LYS HD3 H 1.351 . 1 315 220 30 LYS HE2 H 2.614 . 1 316 220 30 LYS HE3 H 2.273 . 1 317 220 30 LYS CA C 60.368 . 1 318 220 30 LYS CB C 34.258 0.005 1 319 220 30 LYS CG C 26.069 . 1 320 220 30 LYS CD C 31.252 0.003 1 321 220 30 LYS CE C 42.442 0.002 1 322 220 30 LYS N N 120.577 . 1 323 221 31 LEU H H 7.486 . 1 324 221 31 LEU HA H 3.558 . 1 325 221 31 LEU HB2 H 1.104 . 1 326 221 31 LEU HB3 H 1.606 . 1 327 221 31 LEU HG H 1.562 . 1 328 221 31 LEU HD1 H 0.527 . 1 329 221 31 LEU HD2 H 0.818 . 1 330 221 31 LEU CA C 58.134 . 1 331 221 31 LEU CB C 40.342 0.001 1 332 221 31 LEU CG C 26.693 . 1 333 221 31 LEU CD1 C 23.600 . 1 334 221 31 LEU CD2 C 26.837 . 1 335 221 31 LEU N N 118.814 . 1 336 222 32 ARG H H 8.113 . 1 337 222 32 ARG HA H 3.795 . 1 338 222 32 ARG HB2 H 1.472 . 1 339 222 32 ARG HB3 H 1.652 . 1 340 222 32 ARG HG2 H 1.297 . 1 341 222 32 ARG HG3 H 1.250 . 1 342 222 32 ARG HD2 H 3.074 . 1 343 222 32 ARG HD3 H 2.943 . 1 344 222 32 ARG CA C 58.391 . 1 345 222 32 ARG CB C 29.284 0.057 1 346 222 32 ARG CG C 26.280 0.001 1 347 222 32 ARG CD C 42.946 0.0 1 348 222 32 ARG N N 119.279 . 1 349 223 33 ASN H H 7.732 . 1 350 223 33 ASN HA H 4.448 . 1 351 223 33 ASN HB2 H 2.794 . 1 352 223 33 ASN HB3 H 2.566 . 1 353 223 33 ASN HD21 H 7.272 . 1 354 223 33 ASN HD22 H 6.884 . 1 355 223 33 ASN CA C 56.189 . 1 356 223 33 ASN CB C 38.526 0.013 1 357 223 33 ASN N N 118.028 . 1 358 223 33 ASN ND2 N 112.271 0.0 1 359 224 34 ILE H H 8.324 . 1 360 224 34 ILE HA H 3.441 . 1 361 224 34 ILE HB H 1.796 . 1 362 224 34 ILE HG2 H 0.692 . 1 363 224 34 ILE HD1 H 0.537 . 1 364 224 34 ILE CA C 66.158 . 1 365 224 34 ILE CB C 37.971 . 1 366 224 34 ILE CG2 C 17.771 . 1 367 224 34 ILE CD1 C 13.925 . 1 368 224 34 ILE N N 122.301 . 1 369 225 35 GLU H H 8.563 . 1 370 225 35 GLU HA H 3.510 . 1 371 225 35 GLU HB2 H 2.174 . 1 372 225 35 GLU HG2 H 2.017 . 1 373 225 35 GLU HG3 H 2.176 . 1 374 225 35 GLU CA C 60.286 . 1 375 225 35 GLU CB C 30.182 . 1 376 225 35 GLU CG C 35.749 0.003 1 377 225 35 GLU N N 122.898 . 1 378 226 36 LEU H H 7.646 . 1 379 226 36 LEU HA H 3.988 . 1 380 226 36 LEU HB2 H 1.807 . 1 381 226 36 LEU HB3 H 1.548 . 1 382 226 36 LEU HG H 1.719 . 1 383 226 36 LEU HD1 H 0.796 . 1 384 226 36 LEU HD2 H 0.841 . 1 385 226 36 LEU CA C 58.325 . 1 386 226 36 LEU CB C 41.553 0.005 1 387 226 36 LEU CG C 26.854 . 1 388 226 36 LEU CD1 C 23.245 . 1 389 226 36 LEU CD2 C 25.042 . 1 390 226 36 LEU N N 118.377 . 1 391 227 37 ILE H H 7.368 . 1 392 227 37 ILE HA H 3.597 . 1 393 227 37 ILE HB H 1.856 . 1 394 227 37 ILE HG12 H 0.977 . 1 395 227 37 ILE HG2 H 0.738 . 1 396 227 37 ILE HD1 H 0.637 . 1 397 227 37 ILE CA C 64.995 . 1 398 227 37 ILE CB C 37.734 . 1 399 227 37 ILE CG1 C 29.065 . 1 400 227 37 ILE CG2 C 17.824 . 1 401 227 37 ILE CD1 C 14.239 . 1 402 227 37 ILE N N 119.837 . 1 403 228 38 CYS H H 8.096 . 1 404 228 38 CYS HA H 3.870 . 1 405 228 38 CYS HB2 H 2.498 . 1 406 228 38 CYS HB3 H 2.981 . 1 407 228 38 CYS CA C 64.764 . 1 408 228 38 CYS CB C 26.330 0.005 1 409 228 38 CYS N N 118.540 . 1 410 229 39 GLN H H 8.276 . 1 411 229 39 GLN HA H 4.082 . 1 412 229 39 GLN HB2 H 2.146 . 1 413 229 39 GLN HB3 H 2.073 . 1 414 229 39 GLN HG2 H 2.511 . 1 415 229 39 GLN HG3 H 2.344 . 1 416 229 39 GLN HE21 H 7.361 . 1 417 229 39 GLN HE22 H 6.612 . 1 418 229 39 GLN CA C 58.375 . 1 419 229 39 GLN CB C 28.488 0.001 1 420 229 39 GLN CG C 33.923 0.012 1 421 229 39 GLN N N 119.460 . 1 422 229 39 GLN NE2 N 110.544 0.0 1 423 230 40 GLU H H 7.943 . 1 424 230 40 GLU HA H 4.049 . 1 425 230 40 GLU HB2 H 2.009 . 1 426 230 40 GLU HB3 H 2.094 . 1 427 230 40 GLU HG2 H 2.455 . 1 428 230 40 GLU CA C 58.226 . 1 429 230 40 GLU CB C 29.963 0.002 1 430 230 40 GLU CG C 36.416 . 1 431 230 40 GLU N N 118.985 . 1 432 231 41 ASN H H 7.343 . 1 433 231 41 ASN HA H 4.814 . 1 434 231 41 ASN HB2 H 2.808 . 1 435 231 41 ASN HB3 H 2.326 . 1 436 231 41 ASN HD21 H 7.726 . 1 437 231 41 ASN HD22 H 7.124 . 1 438 231 41 ASN CA C 53.441 . 1 439 231 41 ASN CB C 40.569 0.003 1 440 231 41 ASN N N 115.531 . 1 441 231 41 ASN ND2 N 116.160 0.0 1 442 232 42 GLU H H 7.691 . 1 443 232 42 GLU HA H 4.090 . 1 444 232 42 GLU HB2 H 2.081 . 1 445 232 42 GLU HB3 H 2.031 . 1 446 232 42 GLU HG2 H 2.261 . 1 447 232 42 GLU CA C 58.281 . 1 448 232 42 GLU CB C 29.467 . 1 449 232 42 GLU CG C 35.860 . 1 450 232 42 GLU N N 121.796 . 1 451 233 43 GLY H H 8.623 . 1 452 233 43 GLY HA2 H 3.838 . 1 453 233 43 GLY CA C 45.806 . 1 454 233 43 GLY N N 108.907 . 1 455 234 44 GLU H H 7.870 . 1 456 234 44 GLU HA H 4.171 . 1 457 234 44 GLU HB2 H 1.902 . 1 458 234 44 GLU HB3 H 2.075 . 1 459 234 44 GLU HG2 H 2.310 . 1 460 234 44 GLU CA C 56.446 . 1 461 234 44 GLU CB C 29.616 0.002 1 462 234 44 GLU CG C 35.792 . 1 463 234 44 GLU N N 118.330 . 1 464 235 45 ASN H H 8.227 . 1 465 235 45 ASN HA H 4.462 . 1 466 235 45 ASN HB2 H 2.658 . 1 467 235 45 ASN HB3 H 2.813 . 1 468 235 45 ASN HD21 H 7.466 . 1 469 235 45 ASN HD22 H 6.757 . 1 470 235 45 ASN CA C 53.400 . 1 471 235 45 ASN CB C 38.121 0.0 1 472 235 45 ASN N N 117.727 . 1 473 235 45 ASN ND2 N 112.284 0.0 1 474 236 46 ASP H H 8.340 . 1 475 236 46 ASP HA H 4.837 . 1 476 236 46 ASP HB2 H 2.733 . 1 477 236 46 ASP HB3 H 2.562 . 1 478 236 46 ASP CA C 52.213 . 1 479 236 46 ASP CB C 42.475 0.001 1 480 236 46 ASP N N 122.105 . 1 481 237 47 PRO HA H 4.255 . 1 482 237 47 PRO HB2 H 2.295 . 1 483 237 47 PRO HB3 H 1.907 . 1 484 237 47 PRO HG2 H 2.016 . 1 485 237 47 PRO HD2 H 3.923 . 1 486 237 47 PRO HD3 H 3.854 . 1 487 237 47 PRO CA C 64.995 . 1 488 237 47 PRO CB C 32.300 0.006 1 489 237 47 PRO CG C 27.452 . 1 490 237 47 PRO CD C 51.059 0.009 1 491 238 48 VAL H H 8.036 . 1 492 238 48 VAL HA H 3.550 . 1 493 238 48 VAL HB H 2.114 . 1 494 238 48 VAL HG1 H 0.874 . 1 495 238 48 VAL HG2 H 0.712 . 1 496 238 48 VAL CA C 66.331 . 1 497 238 48 VAL CB C 31.012 . 1 498 238 48 VAL CG1 C 22.736 . 1 499 238 48 VAL CG2 C 22.088 . 1 500 238 48 VAL N N 119.840 . 1 501 239 49 LEU H H 7.714 . 1 502 239 49 LEU HA H 3.838 . 1 503 239 49 LEU HB2 H 1.793 . 1 504 239 49 LEU HB3 H 1.464 . 1 505 239 49 LEU HG H 1.652 . 1 506 239 49 LEU HD1 H 0.677 . 1 507 239 49 LEU HD2 H 0.833 . 1 508 239 49 LEU CA C 57.665 . 1 509 239 49 LEU CB C 40.638 0.0 1 510 239 49 LEU CG C 27.112 . 1 511 239 49 LEU CD1 C 23.389 . 1 512 239 49 LEU CD2 C 25.735 . 1 513 239 49 LEU N N 119.045 . 1 514 240 50 GLN H H 8.115 . 1 515 240 50 GLN HA H 3.774 . 1 516 240 50 GLN HB2 H 1.949 . 1 517 240 50 GLN HB3 H 2.083 . 1 518 240 50 GLN HG3 H 2.312 . 1 519 240 50 GLN HE21 H 7.501 . 1 520 240 50 GLN HE22 H 6.729 . 1 521 240 50 GLN CA C 58.650 . 1 522 240 50 GLN CB C 28.035 0.004 1 523 240 50 GLN CG C 33.805 . 1 524 240 50 GLN N N 116.615 . 1 525 240 50 GLN NE2 N 113.771 0.0 1 526 241 51 ARG H H 7.315 . 1 527 241 51 ARG HA H 4.055 . 1 528 241 51 ARG HB2 H 1.981 . 1 529 241 51 ARG HB3 H 1.910 . 1 530 241 51 ARG HG2 H 1.657 . 1 531 241 51 ARG HD2 H 3.235 . 1 532 241 51 ARG HD3 H 3.042 . 1 533 241 51 ARG CA C 59.042 . 1 534 241 51 ARG CB C 30.499 0.003 1 535 241 51 ARG CG C 27.369 . 1 536 241 51 ARG CD C 44.146 0.0 1 537 241 51 ARG N N 117.809 . 1 538 242 52 ILE H H 7.476 . 1 539 242 52 ILE HA H 3.388 . 1 540 242 52 ILE HB H 2.051 . 1 541 242 52 ILE HG2 H 0.566 . 1 542 242 52 ILE HD1 H 0.597 . 1 543 242 52 ILE CA C 66.153 . 1 544 242 52 ILE CB C 37.451 . 1 545 242 52 ILE CG2 C 16.732 . 1 546 242 52 ILE CD1 C 13.826 . 1 547 242 52 ILE N N 120.131 . 1 548 243 53 VAL H H 8.439 . 1 549 243 53 VAL HA H 3.281 . 1 550 243 53 VAL HB H 2.063 . 1 551 243 53 VAL HG1 H 0.831 . 1 552 243 53 VAL HG2 H 0.924 . 1 553 243 53 VAL CA C 67.234 . 1 554 243 53 VAL CB C 31.356 . 1 555 243 53 VAL CG1 C 21.850 . 1 556 243 53 VAL CG2 C 23.461 . 1 557 243 53 VAL N N 121.959 . 1 558 244 54 ASP H H 7.963 . 1 559 244 54 ASP HA H 4.323 . 1 560 244 54 ASP HB2 H 2.555 . 1 561 244 54 ASP HB3 H 2.726 . 1 562 244 54 ASP CA C 57.223 . 1 563 244 54 ASP CB C 40.058 0.004 1 564 244 54 ASP N N 118.137 . 1 565 245 55 ILE H H 7.253 . 1 566 245 55 ILE HA H 3.697 . 1 567 245 55 ILE HB H 1.974 . 1 568 245 55 ILE HG12 H 1.183 . 1 569 245 55 ILE HG13 H 1.514 . 1 570 245 55 ILE HG2 H 0.824 . 1 571 245 55 ILE HD1 H 0.647 . 1 572 245 55 ILE CA C 63.800 . 1 573 245 55 ILE CB C 37.388 . 1 574 245 55 ILE CG1 C 28.679 0.0 1 575 245 55 ILE CG2 C 17.757 . 1 576 245 55 ILE CD1 C 13.695 . 1 577 245 55 ILE N N 119.484 . 1 578 246 56 LEU H H 8.322 . 1 579 246 56 LEU HA H 3.590 . 1 580 246 56 LEU HB2 H 1.693 . 1 581 246 56 LEU HB3 H 0.905 . 1 582 246 56 LEU HD1 H 0.599 . 1 583 246 56 LEU HD2 H 0.555 . 1 584 246 56 LEU CA C 58.550 . 1 585 246 56 LEU CB C 41.412 0.039 1 586 246 56 LEU CD1 C 25.955 . 1 587 246 56 LEU CD2 C 24.024 . 1 588 246 56 LEU N N 120.567 . 1 589 247 57 TYR H H 7.768 . 1 590 247 57 TYR HA H 4.659 . 1 591 247 57 TYR HB2 H 2.789 . 1 592 247 57 TYR HB3 H 3.298 . 1 593 247 57 TYR HD1 H 7.099 . 1 594 247 57 TYR HD2 H 7.099 . 1 595 247 57 TYR HE1 H 6.694 . 1 596 247 57 TYR HE2 H 6.694 . 1 597 247 57 TYR CA C 57.000 . 1 598 247 57 TYR CB C 37.566 0.005 1 599 247 57 TYR CD1 C 132.404 . 1 600 247 57 TYR CD2 C 132.404 . 1 601 247 57 TYR CE1 C 117.813 . 1 602 247 57 TYR CE2 C 117.813 . 1 603 247 57 TYR N N 114.656 . 1 604 248 58 ALA H H 7.293 . 1 605 248 58 ALA HA H 4.356 . 1 606 248 58 ALA HB H 1.517 . 1 607 248 58 ALA CA C 53.427 . 1 608 248 58 ALA CB C 18.985 . 1 609 248 58 ALA N N 124.031 . 1 610 249 59 THR H H 8.563 . 1 611 249 59 THR HA H 4.622 . 1 612 249 59 THR HB H 4.331 . 1 613 249 59 THR HG2 H 1.246 . 1 614 249 59 THR CA C 61.110 . 1 615 249 59 THR CB C 70.454 . 1 616 249 59 THR CG2 C 21.663 . 1 617 249 59 THR N N 114.046 . 1 618 250 60 ASP H H 8.330 . 1 619 250 60 ASP HA H 4.520 . 1 620 250 60 ASP HB2 H 2.422 . 1 621 250 60 ASP HB3 H 2.281 . 1 622 250 60 ASP CA C 54.109 . 1 623 250 60 ASP CB C 41.091 0.003 1 624 250 60 ASP N N 121.456 . 1 625 251 61 GLU H H 8.403 . 1 626 251 61 GLU HA H 4.134 . 1 627 251 61 GLU HB2 H 1.824 . 1 628 251 61 GLU HB3 H 1.974 . 1 629 251 61 GLU HG2 H 2.186 . 1 630 251 61 GLU HG3 H 2.149 . 1 631 251 61 GLU CA C 57.054 . 1 632 251 61 GLU CB C 30.001 0.047 1 633 251 61 GLU CG C 36.244 0.003 1 634 251 61 GLU N N 121.688 . 1 635 252 62 GLY H H 8.351 . 1 636 252 62 GLY HA3 H 3.777 . 1 637 252 62 GLY CA C 45.273 . 1 638 252 62 GLY N N 109.192 . 1 639 253 63 PHE H H 7.846 . 1 640 253 63 PHE HA H 4.528 . 1 641 253 63 PHE HB2 H 2.956 . 1 642 253 63 PHE HB3 H 2.926 . 1 643 253 63 PHE HD1 H 7.101 . 1 644 253 63 PHE HD2 H 7.101 . 1 645 253 63 PHE HE1 H 7.226 . 1 646 253 63 PHE HE2 H 7.226 . 1 647 253 63 PHE HZ H 7.177 . 1 648 253 63 PHE CA C 57.591 . 1 649 253 63 PHE CB C 39.698 0.007 1 650 253 63 PHE CD1 C 131.568 . 1 651 253 63 PHE CD2 C 131.568 . 1 652 253 63 PHE CE1 C 131.571 . 1 653 253 63 PHE CE2 C 131.571 . 1 654 253 63 PHE CZ C 129.661 . 1 655 253 63 PHE N N 119.996 . 1 656 254 64 VAL H H 7.897 . 1 657 254 64 VAL HA H 3.959 . 1 658 254 64 VAL HB H 1.816 . 1 659 254 64 VAL HG1 H 0.728 . 1 660 254 64 VAL HG2 H 0.781 . 1 661 254 64 VAL CA C 61.732 . 1 662 254 64 VAL CB C 33.125 . 1 663 254 64 VAL CG1 C 21.032 . 1 664 254 64 VAL CG2 C 20.713 . 1 665 254 64 VAL N N 123.554 . 1 666 255 65 ILE H H 8.250 . 1 667 255 65 ILE HA H 4.270 . 1 668 255 65 ILE HB H 1.760 . 1 669 255 65 ILE HG12 H 1.472 . 1 670 255 65 ILE HG13 H 1.118 . 1 671 255 65 ILE HG2 H 0.886 . 1 672 255 65 ILE HD1 H 0.821 . 1 673 255 65 ILE CA C 58.549 . 1 674 255 65 ILE CB C 38.461 . 1 675 255 65 ILE CG1 C 27.259 0.0 1 676 255 65 ILE CG2 C 17.046 . 1 677 255 65 ILE CD1 C 12.793 . 1 678 255 65 ILE N N 127.583 . 1 679 256 66 PRO HA H 4.289 . 1 680 256 66 PRO HB2 H 1.821 . 1 681 256 66 PRO HB3 H 2.190 . 1 682 256 66 PRO HG2 H 1.951 . 1 683 256 66 PRO HG3 H 1.890 . 1 684 256 66 PRO HD2 H 3.841 . 1 685 256 66 PRO HD3 H 3.629 . 1 686 256 66 PRO CA C 63.074 . 1 687 256 66 PRO CB C 32.198 0.002 1 688 256 66 PRO CG C 27.276 0.0 1 689 256 66 PRO CD C 51.110 0.001 1 690 257 67 ASP H H 8.297 . 1 691 257 67 ASP HA H 4.480 . 1 692 257 67 ASP HB2 H 2.536 . 1 693 257 67 ASP HB3 H 2.609 . 1 694 257 67 ASP CA C 54.324 . 1 695 257 67 ASP CB C 41.272 0.001 1 696 257 67 ASP N N 121.053 . 1 697 258 68 GLU H H 8.386 . 1 698 258 68 GLU HA H 4.216 . 1 699 258 68 GLU HB2 H 2.030 . 1 700 258 68 GLU HB3 H 1.861 . 1 701 258 68 GLU HG2 H 2.173 . 1 702 258 68 GLU CA C 56.732 . 1 703 258 68 GLU CB C 30.206 0.01 1 704 258 68 GLU CG C 36.151 . 1 705 258 68 GLU N N 121.776 . 1 706 259 69 GLY H H 8.427 . 1 707 259 69 GLY HA2 H 3.869 . 1 708 259 69 GLY CA C 45.391 . 1 709 259 69 GLY N N 110.213 . 1 710 260 70 GLY H H 7.882 . 1 711 260 70 GLY HA2 H 3.685 . 1 712 260 70 GLY CA C 45.984 . 1 713 260 70 GLY N N 115.139 . 1 stop_ save_