data_6126 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the CRIB-PDZ module of Par-6 ; _BMRB_accession_number 6126 _BMRB_flat_file_name bmr6126.str _Entry_type original _Submission_date 2004-03-03 _Accession_date 2004-03-03 _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 Peterson F. C. . 2 'R Penkert' R. . . 3 Volkman B. F. . 4 Prehoda K. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 671 "13C chemical shifts" 531 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-05-15 original author . stop_ _Original_release_date 2004-05-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Cdc42 Regulates the Par-6 PDZ Domain Through an Allosteric CRIB-PDZ Transition' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15023337 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peterson F. C. . 2 Penkert R. R. . 3 Volkman B. F. . 4 Prehoda K. E. . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 13 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 665 _Page_last 676 _Year 2004 _Details . loop_ _Keyword PDZ CRIB Cdc-42 'Cell Polarization' 'Polarity adaptor complex' stop_ save_ ################################## # Molecular system description # ################################## save_system_CG5884-PA _Saveframe_category molecular_system _Mol_system_name CG5884-PA _Abbreviation_common CG5884-PA _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 monomer _System_paramagnetic no _System_thiol_state 'not present' _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 _Abbreviation_common Par-6 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSKTKAPSISIPHDFRQVSA IIDVDIVPETHRRVRLLKHG 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 GLN 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 LEU 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 2015-01-28 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 17599 Par-6 100.00 128 98.44 98.44 1.27e-83 BMRB 17600 Par-6 78.13 102 100.00 100.00 4.80e-64 PDB 1RY4 "Nmr Structure Of The Crib-Pdz Module Of Par-6" 100.00 128 100.00 100.00 3.62e-85 PDB 1RZX "Crystal Structure Of A Par-6 Pdz-Peptide Complex" 76.56 98 100.00 100.00 3.08e-62 PDB 1X8S "Structure Of The Par-6 Pdz Domain With A Pals1 Internal Ligand" 78.13 102 100.00 100.00 4.80e-64 PDB 2LC6 "Solution Structure Of Par-6 Q144cL164C" 100.00 128 98.44 98.44 1.27e-83 PDB 2LC7 "Solution Structure Of The Isolated Par-6 Pdz Domain" 78.13 102 100.00 100.00 4.80e-64 GB AAD15927 "PAR-6 [Drosophila melanogaster]" 98.44 351 100.00 100.00 1.35e-81 GB AAF48757 "par-6, isoform A [Drosophila melanogaster]" 98.44 351 100.00 100.00 1.35e-81 GB AAL28917 "LD29223p [Drosophila melanogaster]" 98.44 351 100.00 100.00 1.35e-81 GB AAN09592 "par-6, isoform B [Drosophila melanogaster]" 98.44 351 100.00 100.00 1.35e-81 GB ACL90845 "par-6-PA [synthetic construct]" 98.44 351 100.00 100.00 1.35e-81 REF NP_573238 "par-6, isoform A [Drosophila melanogaster]" 98.44 351 100.00 100.00 1.35e-81 REF NP_728094 "par-6, isoform B [Drosophila melanogaster]" 98.44 351 100.00 100.00 1.35e-81 REF XP_001355305 "GA19201 [Drosophila pseudoobscura pseudoobscura]" 98.44 357 98.41 99.21 5.41e-80 REF XP_001963708 "GF21116 [Drosophila ananassae]" 98.44 355 100.00 100.00 1.14e-81 REF XP_001977590 "GG19128 [Drosophila erecta]" 98.44 351 100.00 100.00 1.85e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Par-6 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Par-6 1 mM '[U-15N; U-13C]' 'phosphate buffer' 20 mM . 'sodium chloride' 50 mM . 'sodium azide' 0.05 % . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Par-6 0.5 mM [U-15N] 'phosphate buffer' 20 mM . 'sodium azide' 0.05 % . 'sodium chloride' 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.1 loop_ _Task collection stop_ _Details 'Bruker Instruments' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 97.027.12.56 loop_ _Task processing stop_ _Details 'Frank Delaglio' save_ save_Xeasy _Saveframe_category software _Name Xeasy _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details 'Christian Bartels' save_ save_Garant _Saveframe_category software _Name Garant _Version 2.1 loop_ _Task 'data analysis' stop_ _Details 'Christian Bartels' save_ save_Cyana _Saveframe_category software _Name Cyana _Version 1.0.6 loop_ _Task 'structure solution' stop_ _Details 'Peter Guntert' save_ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.0.6 loop_ _Task refinement stop_ _Details 'Axel Brunger and Marius Clore' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_aromatic_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated aromatic NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . n/a temperature 303 . K 'ionic strength' 50 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_citation_label _Correction_value_citation_label . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation . C 13 . ppm . . . . . . $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _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 . 2 SER CA C 58.6 . 1 2 . 2 SER CB C 64.2 . 1 3 . 2 SER C C 174.8 . 1 4 . 3 LYS N N 123.9 . 1 5 . 3 LYS H H 8.55 . 1 6 . 3 LYS CA C 56.8 . 1 7 . 3 LYS HA H 4.42 . 1 8 . 3 LYS CB C 33.5 . 1 9 . 3 LYS HB2 H 1.78 . 1 10 . 3 LYS HB3 H 1.78 . 1 11 . 3 LYS CG C 25.0 . 1 12 . 3 LYS HG2 H 1.46 . 1 13 . 3 LYS HG3 H 1.46 . 1 14 . 3 LYS CD C 29.9 . 1 15 . 3 LYS HD2 H 1.69 . 1 16 . 3 LYS HD3 H 1.69 . 1 17 . 3 LYS CE C 42.5 . 1 18 . 3 LYS HE2 H 3.03 . 1 19 . 3 LYS HE3 H 3.03 . 1 20 . 3 LYS C C 176.9 . 1 21 . 4 THR N N 116.4 . 1 22 . 4 THR H H 8.14 . 1 23 . 4 THR CA C 62.3 . 1 24 . 4 THR HA H 4.30 . 1 25 . 4 THR CB C 70.0 . 1 26 . 4 THR HB H 4.17 . 1 27 . 4 THR HG2 H 1.20 . 1 28 . 4 THR CG2 C 21.8 . 1 29 . 4 THR C C 174.4 . 1 30 . 5 LYS N N 125.0 . 1 31 . 5 LYS H H 8.35 . 1 32 . 5 LYS CA C 56.4 . 1 33 . 5 LYS HA H 4.32 . 1 34 . 5 LYS CB C 33.5 . 1 35 . 5 LYS HB2 H 1.78 . 1 36 . 5 LYS HB3 H 1.78 . 1 37 . 5 LYS CG C 25.0 . 1 38 . 5 LYS HG2 H 1.43 . 1 39 . 5 LYS HG3 H 1.43 . 1 40 . 5 LYS CD C 29.9 . 1 41 . 5 LYS HD2 H 1.69 . 1 42 . 5 LYS HD3 H 1.69 . 1 43 . 5 LYS CE C 42.5 . 1 44 . 5 LYS HE2 H 3.00 . 1 45 . 5 LYS HE3 H 3.00 . 1 46 . 5 LYS C C 175.9 . 1 47 . 6 ALA N N 127.9 . 1 48 . 6 ALA H H 8.35 . 1 49 . 6 ALA CA C 50.6 . 1 50 . 6 ALA HA H 4.58 . 1 51 . 6 ALA HB H 1.36 . 1 52 . 6 ALA CB C 18.4 . 1 53 . 6 ALA C C 175.6 . 1 54 . 7 PRO CD C 51.3 . 1 55 . 7 PRO CA C 63.3 . 1 56 . 7 PRO HA H 4.45 . 1 57 . 7 PRO CB C 32.5 . 1 58 . 7 PRO CG C 27.8 . 1 59 . 7 PRO C C 177.0 . 1 60 . 8 SER N N 116.8 . 1 61 . 8 SER H H 8.38 . 1 62 . 8 SER CA C 58.4 . 1 63 . 8 SER HA H 4.46 . 1 64 . 8 SER CB C 64.2 . 1 65 . 8 SER HB2 H 3.84 . 1 66 . 8 SER HB3 H 3.84 . 1 67 . 8 SER C C 174.6 . 1 68 . 9 ILE N N 122.6 . 1 69 . 9 ILE H H 8.12 . 1 70 . 9 ILE CA C 61.3 . 1 71 . 9 ILE HA H 4.25 . 1 72 . 9 ILE CB C 39.6 . 1 73 . 9 ILE HB H 1.83 . 1 74 . 9 ILE HG2 H 0.90 . 1 75 . 9 ILE CG2 C 17.6 . 1 76 . 9 ILE CG1 C 27.3 . 1 77 . 9 ILE HG12 H 1.42 . 2 78 . 9 ILE HG13 H 1.18 . 2 79 . 9 ILE HD1 H 0.82 . 1 80 . 9 ILE CD1 C 13.4 . 1 81 . 9 ILE C C 176.1 . 1 82 . 10 SER N N 120.5 . 1 83 . 10 SER H H 8.33 . 1 84 . 10 SER CA C 58.0 . 1 85 . 10 SER HA H 4.48 . 1 86 . 10 SER CB C 63.9 . 1 87 . 10 SER HB2 H 3.79 . 1 88 . 10 SER HB3 H 3.79 . 1 89 . 10 SER C C 174.0 . 1 90 . 11 ILE N N 125.1 . 1 91 . 11 ILE H H 8.15 . 1 92 . 11 ILE CA C 58.7 . 1 93 . 11 ILE HA H 4.46 . 1 94 . 11 ILE CB C 39.0 . 1 95 . 11 ILE HB H 1.84 . 1 96 . 11 ILE HG2 H 0.89 . 1 97 . 11 ILE CG2 C 17.3 . 1 98 . 11 ILE CG1 C 27.0 . 1 99 . 11 ILE HG12 H 1.46 . 2 100 . 11 ILE HG13 H 1.15 . 2 101 . 11 ILE HD1 H 0.84 . 1 102 . 11 ILE CD1 C 12.8 . 1 103 . 11 ILE C C 174.6 . 1 104 . 12 PRO CD C 51.3 . 1 105 . 12 PRO CA C 63.3 . 1 106 . 12 PRO HA H 4.37 . 1 107 . 12 PRO CB C 32.5 . 1 108 . 12 PRO HB2 H 2.25 . 2 109 . 12 PRO HB3 H 1.78 . 2 110 . 12 PRO CG C 27.8 . 1 111 . 12 PRO HD2 H 3.85 . 2 112 . 12 PRO HD3 H 3.63 . 2 113 . 12 PRO C C 176.8 . 1 114 . 13 HIS N N 119.2 . 1 115 . 13 HIS H H 8.49 . 1 116 . 13 HIS CA C 56.1 . 1 117 . 13 HIS HA H 4.56 . 1 118 . 13 HIS CB C 29.6 . 1 119 . 13 HIS HB2 H 3.11 . 1 120 . 13 HIS HB3 H 3.11 . 1 121 . 13 HIS CD2 C 120.3 . 1 122 . 13 HIS CE1 C 137.0 . 1 123 . 13 HIS HD2 H 7.11 . 1 124 . 13 HIS HE1 H 8.41 . 1 125 . 13 HIS C C 174.2 . 1 126 . 14 ASP N N 121.3 . 1 127 . 14 ASP H H 8.26 . 1 128 . 14 ASP CA C 54.2 . 1 129 . 14 ASP HA H 5.30 . 1 130 . 14 ASP CB C 41.5 . 1 131 . 14 ASP HB2 H 2.99 . 2 132 . 14 ASP HB3 H 2.88 . 2 133 . 14 ASP C C 176.0 . 1 134 . 15 PHE N N 121.7 . 1 135 . 15 PHE H H 8.19 . 1 136 . 15 PHE CA C 58.4 . 1 137 . 15 PHE HA H 4.56 . 1 138 . 15 PHE CB C 39.6 . 1 139 . 15 PHE HB2 H 3.15 . 2 140 . 15 PHE HB3 H 3.06 . 2 141 . 15 PHE HD1 H 7.23 . 1 142 . 15 PHE HD2 H 7.23 . 1 143 . 15 PHE HE1 H 7.32 . 1 144 . 15 PHE HE2 H 7.32 . 1 145 . 15 PHE CD1 C 132.0 . 1 146 . 15 PHE CE1 C 131.8 . 1 147 . 15 PHE CZ C 130.0 . 1 148 . 15 PHE HZ H 7.26 . 1 149 . 15 PHE C C 175.8 . 1 150 . 16 ARG N N 122.6 . 1 151 . 16 ARG H H 8.12 . 1 152 . 16 ARG CA C 56.4 . 1 153 . 16 ARG HA H 4.22 . 1 154 . 16 ARG CB C 31.2 . 1 155 . 16 ARG HB2 H 1.77 . 2 156 . 16 ARG HB3 H 1.71 . 2 157 . 16 ARG CG C 27.0 . 1 158 . 16 ARG HG2 H 1.46 . 2 159 . 16 ARG HG3 H 1.13 . 2 160 . 16 ARG CD C 43.8 . 1 161 . 16 ARG HD2 H 3.16 . 1 162 . 16 ARG HD3 H 3.16 . 1 163 . 16 ARG C C 176.0 . 1 164 . 17 GLN N N 121.5 . 1 165 . 17 GLN H H 8.23 . 1 166 . 17 GLN CA C 56.1 . 1 167 . 17 GLN HA H 4.33 . 1 168 . 17 GLN CB C 29.6 . 1 169 . 17 GLN HB2 H 2.08 . 2 170 . 17 GLN HB3 H 1.95 . 2 171 . 17 GLN CG C 34.1 . 1 172 . 17 GLN HG2 H 2.32 . 1 173 . 17 GLN HG3 H 2.32 . 1 174 . 17 GLN NE2 N 112.7 . 1 175 . 17 GLN HE21 H 7.52 . 2 176 . 17 GLN HE22 H 6.84 . 2 177 . 17 GLN C C 176.0 . 1 178 . 18 VAL N N 121.5 . 1 179 . 18 VAL H H 8.13 . 1 180 . 18 VAL CA C 62.6 . 1 181 . 18 VAL HA H 4.16 . 1 182 . 18 VAL CB C 32.8 . 1 183 . 18 VAL HB H 2.10 . 1 184 . 18 VAL HG1 H 0.93 . 2 185 . 18 VAL HG2 H 0.92 . 2 186 . 18 VAL CG1 C 21.8 . 1 187 . 18 VAL CG2 C 20.8 . 1 188 . 18 VAL C C 176.1 . 1 189 . 19 SER N N 119.6 . 1 190 . 19 SER H H 8.31 . 1 191 . 19 SER CA C 58.7 . 1 192 . 19 SER HA H 4.48 . 1 193 . 19 SER CB C 63.9 . 1 194 . 19 SER HB2 H 3.84 . 1 195 . 19 SER HB3 H 3.84 . 1 196 . 19 SER C C 174.1 . 1 197 . 20 ALA N N 126.4 . 1 198 . 20 ALA H H 8.28 . 1 199 . 20 ALA CA C 52.5 . 1 200 . 20 ALA HA H 4.36 . 1 201 . 20 ALA HB H 1.36 . 1 202 . 20 ALA CB C 19.9 . 1 203 . 20 ALA C C 177.2 . 1 204 . 21 ILE N N 120.5 . 1 205 . 21 ILE H H 8.06 . 1 206 . 21 ILE CA C 61.3 . 1 207 . 21 ILE HA H 4.17 . 1 208 . 21 ILE CB C 39.0 . 1 209 . 21 ILE HB H 1.82 . 1 210 . 21 ILE HG2 H 0.87 . 1 211 . 21 ILE CG2 C 17.9 . 1 212 . 21 ILE CG1 C 27.6 . 1 213 . 21 ILE HG12 H 1.44 . 2 214 . 21 ILE HG13 H 1.13 . 2 215 . 21 ILE HD1 H 0.83 . 1 216 . 21 ILE CD1 C 13.1 . 1 217 . 21 ILE C C 176.2 . 1 218 . 22 ILE N N 124.9 . 1 219 . 22 ILE H H 8.15 . 1 220 . 22 ILE CA C 61.0 . 1 221 . 22 ILE HA H 4.25 . 1 222 . 22 ILE CB C 39.6 . 1 223 . 22 ILE HB H 1.86 . 1 224 . 22 ILE HG2 H 0.90 . 1 225 . 22 ILE CG2 C 17.9 . 1 226 . 22 ILE CG1 C 27.6 . 1 227 . 22 ILE HG12 H 1.44 . 2 228 . 22 ILE HG13 H 1.18 . 2 229 . 22 ILE HD1 H 0.87 . 1 230 . 22 ILE CD1 C 13.4 . 1 231 . 22 ILE C C 175.6 . 1 232 . 23 ASP N N 124.5 . 1 233 . 23 ASP H H 8.32 . 1 234 . 23 ASP CA C 54.5 . 1 235 . 23 ASP HA H 4.61 . 1 236 . 23 ASP CB C 41.5 . 1 237 . 23 ASP HB2 H 2.73 . 2 238 . 23 ASP HB3 H 2.58 . 2 239 . 23 ASP C C 176.1 . 1 240 . 24 VAL N N 119.1 . 1 241 . 24 VAL H H 7.96 . 1 242 . 24 VAL CA C 62.6 . 1 243 . 24 VAL HA H 4.11 . 1 244 . 24 VAL CB C 33.1 . 1 245 . 24 VAL HB H 2.10 . 1 246 . 24 VAL HG1 H 0.93 . 2 247 . 24 VAL HG2 H 0.90 . 2 248 . 24 VAL CG1 C 21.5 . 1 249 . 24 VAL CG2 C 20.5 . 1 250 . 24 VAL C C 175.8 . 1 251 . 25 ASP N N 122.9 . 1 252 . 25 ASP H H 8.38 . 1 253 . 25 ASP CA C 54.8 . 1 254 . 25 ASP HA H 4.61 . 1 255 . 25 ASP CB C 41.5 . 1 256 . 25 ASP HB2 H 2.67 . 2 257 . 25 ASP HB3 H 2.59 . 2 258 . 25 ASP C C 176.0 . 1 259 . 26 ILE N N 120.9 . 1 260 . 26 ILE H H 7.90 . 1 261 . 26 ILE CA C 61.0 . 1 262 . 26 ILE HA H 4.16 . 1 263 . 26 ILE CB C 39.3 . 1 264 . 26 ILE HB H 1.84 . 1 265 . 26 ILE HG2 H 0.82 . 1 266 . 26 ILE CG2 C 17.6 . 1 267 . 26 ILE CG1 C 27.3 . 1 268 . 26 ILE HG12 H 1.42 . 2 269 . 26 ILE HG13 H 1.12 . 2 270 . 26 ILE HD1 H 0.81 . 1 271 . 26 ILE CD1 C 13.1 . 1 272 . 26 ILE C C 176.1 . 1 273 . 27 VAL N N 126.2 . 1 274 . 27 VAL H H 8.14 . 1 275 . 27 VAL CA C 60.0 . 1 276 . 27 VAL HA H 4.41 . 1 277 . 27 VAL CB C 32.8 . 1 278 . 27 VAL HB H 2.07 . 1 279 . 27 VAL HG1 H 0.93 . 2 280 . 27 VAL C C 174.4 . 1 281 . 28 PRO CD C 51.5 . 1 282 . 28 PRO CA C 63.2 . 1 283 . 28 PRO HA H 4.25 . 1 284 . 28 PRO CB C 32.6 . 1 285 . 28 PRO CG C 27.8 . 1 286 . 28 PRO C C 177.0 . 1 287 . 29 GLU N N 121.4 . 1 288 . 29 GLU H H 8.48 . 1 289 . 29 GLU CA C 56.8 . 1 290 . 29 GLU HA H 4.30 . 1 291 . 29 GLU CB C 30.5 . 1 292 . 29 GLU HB2 H 2.03 . 2 293 . 29 GLU HB3 H 1.97 . 2 294 . 29 GLU CG C 36.6 . 1 295 . 29 GLU HG2 H 2.31 . 2 296 . 29 GLU HG3 H 2.25 . 2 297 . 29 GLU C C 176.5 . 1 298 . 30 THR N N 115.6 . 1 299 . 30 THR H H 8.18 . 1 300 . 30 THR CA C 62.6 . 1 301 . 30 THR HA H 4.24 . 1 302 . 30 THR CB C 70.5 . 1 303 . 30 THR HG2 H 1.18 . 1 304 . 30 THR CG2 C 22.1 . 1 305 . 30 THR C C 174.1 . 1 306 . 31 HIS N N 120.6 . 1 307 . 31 HIS H H 8.26 . 1 308 . 31 HIS CA C 53.8 . 1 309 . 31 HIS HA H 5.30 . 1 310 . 31 HIS CB C 32.2 . 1 311 . 31 HIS HB2 H 3.00 . 2 312 . 31 HIS HB3 H 2.85 . 2 313 . 31 HIS CD2 C 118.6 . 1 314 . 31 HIS CE1 C 138.0 . 1 315 . 31 HIS HD2 H 6.86 . 1 316 . 31 HIS HE1 H 8.21 . 1 317 . 31 HIS C C 174.2 . 1 318 . 32 ARG N N 121.3 . 1 319 . 32 ARG H H 9.04 . 1 320 . 32 ARG CA C 55.5 . 1 321 . 32 ARG HA H 4.65 . 1 322 . 32 ARG CB C 33.8 . 1 323 . 32 ARG HB2 H 1.69 . 1 324 . 32 ARG HB3 H 1.69 . 1 325 . 33 ARG CA C 56.1 . 1 326 . 33 ARG HA H 4.92 . 1 327 . 33 ARG C C 173.9 . 1 328 . 34 VAL N N 126.5 . 1 329 . 34 VAL H H 9.22 . 1 330 . 34 VAL CA C 61.9 . 1 331 . 34 VAL HA H 4.23 . 1 332 . 34 VAL CB C 35.1 . 1 333 . 34 VAL HB H 1.94 . 1 334 . 34 VAL HG1 H 0.79 . 2 335 . 34 VAL CG1 C 21.2 . 1 336 . 34 VAL C C 175.5 . 1 337 . 35 ARG N N 127.7 . 1 338 . 35 ARG H H 8.59 . 1 339 . 35 ARG CA C 55.5 . 1 340 . 35 ARG HA H 4.87 . 1 341 . 35 ARG CB C 31.8 . 1 342 . 35 ARG HB2 H 1.78 . 2 343 . 35 ARG HB3 H 1.67 . 2 344 . 35 ARG CG C 28.0 . 1 345 . 35 ARG HG2 H 1.58 . 2 346 . 35 ARG HG3 H 1.39 . 2 347 . 35 ARG HD2 H 3.17 . 1 348 . 35 ARG HD3 H 3.17 . 1 349 . 36 LEU N N 128.6 . 1 350 . 36 LEU H H 8.93 . 1 351 . 36 LEU CA C 53.8 . 1 352 . 36 LEU HA H 4.55 . 1 353 . 36 LEU CB C 42.5 . 1 354 . 36 LEU HB2 H 1.71 . 2 355 . 36 LEU HB3 H 1.43 . 2 356 . 36 LEU HD1 H 0.74 . 2 357 . 36 LEU HD2 H 0.89 . 2 358 . 36 LEU CD1 C 25.4 . 1 359 . 36 LEU CD2 C 26.0 . 1 360 . 36 LEU C C 174.7 . 1 361 . 37 LEU N N 123.5 . 1 362 . 37 LEU H H 7.93 . 1 363 . 37 LEU CA C 54.5 . 1 364 . 37 LEU HA H 4.46 . 1 365 . 37 LEU CB C 42.8 . 1 366 . 37 LEU HB2 H 1.49 . 2 367 . 37 LEU HB3 H 1.43 . 2 368 . 37 LEU CG C 27.8 . 1 369 . 37 LEU HD2 H 0.86 . 2 370 . 37 LEU CD2 C 24.4 . 1 371 . 37 LEU C C 176.2 . 1 372 . 38 LYS N N 123.2 . 1 373 . 38 LYS H H 8.28 . 1 374 . 38 LYS CA C 57.4 . 1 375 . 38 LYS HA H 4.21 . 1 376 . 38 LYS CB C 33.8 . 1 377 . 38 LYS HB2 H 1.92 . 2 378 . 38 LYS HB3 H 1.78 . 2 379 . 38 LYS CG C 25.4 . 1 380 . 38 LYS HG2 H 1.51 . 2 381 . 38 LYS HG3 H 1.39 . 2 382 . 38 LYS CD C 29.8 . 1 383 . 38 LYS CE C 42.6 . 1 384 . 38 LYS C C 176.9 . 1 385 . 39 HIS N N 120.0 . 1 386 . 39 HIS H H 8.65 . 1 387 . 39 HIS CA C 56.1 . 1 388 . 39 HIS HA H 4.57 . 1 389 . 39 HIS CB C 29.2 . 1 390 . 39 HIS HB2 H 3.27 . 2 391 . 39 HIS HB3 H 3.16 . 2 392 . 39 HIS CD2 C 120.3 . 1 393 . 39 HIS CE1 C 137.1 . 1 394 . 39 HIS HD2 H 7.21 . 1 395 . 39 HIS HE1 H 8.37 . 1 396 . 39 HIS C C 175.2 . 1 397 . 40 GLY N N 110.4 . 1 398 . 40 GLY H H 8.51 . 1 399 . 40 GLY CA C 45.8 . 1 400 . 40 GLY HA2 H 4.10 . 2 401 . 40 GLY HA3 H 3.81 . 2 402 . 40 GLY C C 174.3 . 1 403 . 41 SER N N 116.2 . 1 404 . 41 SER H H 8.16 . 1 405 . 41 SER CA C 58.7 . 1 406 . 41 SER HA H 4.50 . 1 407 . 41 SER CB C 63.9 . 1 408 . 41 SER HB2 H 3.93 . 1 409 . 41 SER HB3 H 3.93 . 1 410 . 41 SER C C 174.5 . 1 411 . 42 ASP N N 122.2 . 1 412 . 42 ASP H H 8.56 . 1 413 . 42 ASP CA C 54.5 . 1 414 . 42 ASP HA H 4.63 . 1 415 . 42 ASP CB C 40.9 . 1 416 . 42 ASP HB2 H 2.72 . 1 417 . 42 ASP HB3 H 2.72 . 1 418 . 42 ASP C C 176.2 . 1 419 . 43 LYS N N 121.8 . 1 420 . 43 LYS H H 7.80 . 1 421 . 43 LYS CA C 54.5 . 1 422 . 43 LYS HA H 4.59 . 1 423 . 43 LYS CB C 33.5 . 1 424 . 43 LYS HB2 H 1.81 . 2 425 . 43 LYS HB3 H 1.68 . 2 426 . 43 LYS CG C 25.4 . 1 427 . 43 LYS HG2 H 1.53 . 1 428 . 43 LYS HG3 H 1.53 . 1 429 . 43 LYS HD2 H 1.67 . 1 430 . 43 LYS HD3 H 1.67 . 1 431 . 43 LYS C C 174.1 . 1 432 . 44 PRO CD C 50.6 . 1 433 . 44 PRO CA C 63.2 . 1 434 . 44 PRO HA H 4.54 . 1 435 . 44 PRO CB C 32.6 . 1 436 . 44 PRO CG C 27.6 . 1 437 . 44 PRO HD2 H 3.81 . 2 438 . 44 PRO HD3 H 3.65 . 2 439 . 44 PRO C C 177.2 . 1 440 . 45 LEU N N 121.5 . 1 441 . 45 LEU H H 8.68 . 1 442 . 45 LEU CA C 58.4 . 1 443 . 45 LEU HA H 4.01 . 1 444 . 45 LEU CB C 42.2 . 1 445 . 45 LEU HB2 H 1.72 . 2 446 . 45 LEU HB3 H 1.39 . 2 447 . 45 LEU CG C 26.0 . 1 448 . 45 LEU HG H 0.89 . 1 449 . 45 LEU HD1 H 0.99 . 2 450 . 45 LEU HD2 H 0.88 . 2 451 . 45 LEU CD1 C 24.1 . 1 452 . 45 LEU CD2 C 24.1 . 1 453 . 45 LEU C C 179.4 . 1 454 . 46 GLY N N 100.8 . 1 455 . 46 GLY H H 8.30 . 1 456 . 46 GLY CA C 47.4 . 1 457 . 46 GLY HA2 H 4.02 . 2 458 . 46 GLY HA3 H 3.78 . 2 459 . 46 GLY C C 175.7 . 1 460 . 47 PHE N N 117.1 . 1 461 . 47 PHE H H 7.30 . 1 462 . 47 PHE CA C 56.4 . 1 463 . 47 PHE HA H 5.34 . 1 464 . 47 PHE CB C 41.5 . 1 465 . 47 PHE HB2 H 3.09 . 2 466 . 47 PHE HB3 H 2.98 . 2 467 . 47 PHE HD1 H 6.81 . 1 468 . 47 PHE HD2 H 6.81 . 1 469 . 47 PHE HE1 H 6.87 . 1 470 . 47 PHE HE2 H 6.87 . 1 471 . 47 PHE CD1 C 132.0 . 1 472 . 47 PHE CE1 C 130.3 . 1 473 . 47 PHE CZ C 130.0 . 1 474 . 47 PHE HZ H 7.17 . 1 475 . 47 PHE C C 170.8 . 1 476 . 48 TYR N N 119.4 . 1 477 . 48 TYR H H 8.28 . 1 478 . 48 TYR CA C 56.4 . 1 479 . 48 TYR HA H 4.86 . 1 480 . 48 TYR CB C 41.5 . 1 481 . 48 TYR HB2 H 3.17 . 2 482 . 48 TYR HB3 H 2.66 . 2 483 . 48 TYR HD1 H 6.95 . 1 484 . 48 TYR HD2 H 6.95 . 1 485 . 48 TYR HE1 H 6.65 . 1 486 . 48 TYR HE2 H 6.65 . 1 487 . 48 TYR CD1 C 132.9 . 1 488 . 48 TYR CE1 C 118.2 . 1 489 . 48 TYR C C 175.6 . 1 490 . 49 ILE N N 114.1 . 1 491 . 49 ILE H H 8.59 . 1 492 . 49 ILE CA C 59.7 . 1 493 . 49 ILE HA H 5.66 . 1 494 . 49 ILE CB C 43.3 . 1 495 . 49 ILE HB H 1.82 . 1 496 . 49 ILE HG2 H 0.88 . 1 497 . 49 ILE CG2 C 18.9 . 1 498 . 49 ILE HG12 H 1.44 . 2 499 . 49 ILE HG13 H 1.09 . 2 500 . 49 ILE HD1 H 0.81 . 1 501 . 49 ILE CD1 C 14.4 . 1 502 . 49 ILE C C 174.6 . 1 503 . 50 ARG N N 116.9 . 1 504 . 50 ARG H H 9.35 . 1 505 . 50 ARG CA C 54.2 . 1 506 . 50 ARG HA H 5.00 . 1 507 . 50 ARG CB C 33.8 . 1 508 . 50 ARG HB2 H 2.07 . 2 509 . 50 ARG HB3 H 1.82 . 2 510 . 50 ARG CG C 27.3 . 1 511 . 50 ARG HG2 H 1.66 . 2 512 . 50 ARG HG3 H 1.46 . 2 513 . 50 ARG CD C 43.4 . 1 514 . 50 ARG C C 174.6 . 1 515 . 51 ASP N N 120.4 . 1 516 . 51 ASP H H 8.65 . 1 517 . 51 ASP CA C 53.8 . 1 518 . 51 ASP HA H 5.40 . 1 519 . 51 ASP CB C 42.5 . 1 520 . 51 ASP HB2 H 2.81 . 1 521 . 51 ASP HB3 H 2.81 . 1 522 . 51 ASP C C 177.0 . 1 523 . 52 GLY N N 107.9 . 1 524 . 52 GLY H H 8.37 . 1 525 . 52 GLY CA C 46.1 . 1 526 . 52 GLY HA2 H 4.30 . 2 527 . 52 GLY HA3 H 3.93 . 2 528 . 52 GLY C C 172.8 . 1 529 . 53 THR N N 116.1 . 1 530 . 53 THR H H 8.32 . 1 531 . 53 THR CA C 61.6 . 1 532 . 53 THR HA H 4.98 . 1 533 . 53 THR CB C 71.6 . 1 534 . 53 THR HB H 3.88 . 1 535 . 53 THR HG2 H 1.09 . 1 536 . 53 THR CG2 C 22.1 . 1 537 . 53 THR C C 173.7 . 1 538 . 54 SER N N 121.2 . 1 539 . 54 SER H H 9.30 . 1 540 . 54 SER CA C 57.4 . 1 541 . 54 SER HA H 4.74 . 1 542 . 54 SER CB C 65.3 . 1 543 . 54 SER HB2 H 3.86 . 1 544 . 54 SER HB3 H 3.86 . 1 545 . 54 SER C C 173.7 . 1 546 . 55 VAL N N 122.1 . 1 547 . 55 VAL H H 8.47 . 1 548 . 55 VAL CA C 61.9 . 1 549 . 55 VAL HA H 4.76 . 1 550 . 55 VAL CB C 34.1 . 1 551 . 55 VAL HB H 1.95 . 1 552 . 55 VAL HG1 H 0.85 . 2 553 . 55 VAL HG2 H 0.89 . 2 554 . 55 VAL CG1 C 22.4 . 1 555 . 55 VAL CG2 C 21.2 . 1 556 . 55 VAL C C 175.7 . 1 557 . 56 ARG N N 126.8 . 1 558 . 56 ARG H H 8.88 . 1 559 . 56 ARG CA C 54.5 . 1 560 . 56 ARG HA H 4.70 . 1 561 . 56 ARG CB C 33.1 . 1 562 . 56 ARG HB2 H 1.78 . 2 563 . 56 ARG HB3 H 1.70 . 2 564 . 56 ARG CG C 27.5 . 1 565 . 56 ARG HG2 H 1.53 . 1 566 . 56 ARG HG3 H 1.53 . 1 567 . 56 ARG CD C 43.7 . 1 568 . 56 ARG HD2 H 3.15 . 1 569 . 56 ARG HD3 H 3.15 . 1 570 . 56 ARG C C 174.6 . 1 571 . 57 VAL N N 124.4 . 1 572 . 57 VAL H H 8.60 . 1 573 . 57 VAL CA C 63.2 . 1 574 . 57 VAL HA H 4.21 . 1 575 . 57 VAL CB C 32.5 . 1 576 . 57 VAL HB H 1.99 . 1 577 . 57 VAL HG1 H 0.94 . 2 578 . 57 VAL HG2 H 0.90 . 2 579 . 57 VAL CG1 C 20.4 . 1 580 . 57 VAL CG2 C 21.9 . 1 581 . 57 VAL C C 176.2 . 1 582 . 58 THR N N 119.6 . 1 583 . 58 THR H H 8.30 . 1 584 . 58 THR CA C 60.0 . 1 585 . 58 THR HA H 4.83 . 1 586 . 58 THR CB C 72.3 . 1 587 . 58 THR HB H 4.54 . 1 588 . 58 THR HG2 H 1.13 . 1 589 . 58 THR CG2 C 21.4 . 1 590 . 58 THR C C 175.4 . 1 591 . 59 ALA N N 123.0 . 1 592 . 59 ALA H H 8.82 . 1 593 . 59 ALA CA C 54.5 . 1 594 . 59 ALA HA H 4.19 . 1 595 . 59 ALA HB H 1.47 . 1 596 . 59 ALA CB C 18.6 . 1 597 . 59 ALA C C 178.8 . 1 598 . 60 SER N N 110.7 . 1 599 . 60 SER H H 8.07 . 1 600 . 60 SER CA C 58.4 . 1 601 . 60 SER HA H 4.53 . 1 602 . 60 SER CB C 64.2 . 1 603 . 60 SER HB2 H 3.84 . 1 604 . 60 SER HB3 H 3.84 . 1 605 . 60 SER C C 174.0 . 1 606 . 61 GLY N N 110.8 . 1 607 . 61 GLY H H 7.58 . 1 608 . 61 GLY CA C 44.8 . 1 609 . 61 GLY HA2 H 4.41 . 2 610 . 61 GLY HA3 H 3.77 . 2 611 . 61 GLY C C 172.8 . 1 612 . 62 LEU N N 123.5 . 1 613 . 62 LEU H H 8.40 . 1 614 . 62 LEU CA C 55.1 . 1 615 . 62 LEU HA H 4.84 . 1 616 . 62 LEU CB C 43.2 . 1 617 . 62 LEU HB2 H 1.64 . 2 618 . 62 LEU HB3 H 1.38 . 2 619 . 62 LEU CG C 27.6 . 1 620 . 62 LEU HG H 1.60 . 1 621 . 62 LEU HD1 H 0.83 . 2 622 . 62 LEU CD1 C 24.7 . 1 623 . 62 LEU CD2 C 25.2 . 1 624 . 62 LEU C C 177.1 . 1 625 . 63 GLU N N 124.9 . 1 626 . 63 GLU H H 9.06 . 1 627 . 63 GLU CA C 55.5 . 1 628 . 63 GLU HA H 4.64 . 1 629 . 63 GLU CB C 33.1 . 1 630 . 63 GLU HB2 H 2.01 . 2 631 . 63 GLU HB3 H 1.85 . 2 632 . 63 GLU CG C 36.4 . 1 633 . 63 GLU HG2 H 2.22 . 2 634 . 63 GLU HG3 H 2.15 . 2 635 . 63 GLU C C 175.3 . 1 636 . 64 LYS N N 124.4 . 1 637 . 64 LYS H H 8.60 . 1 638 . 64 LYS CA C 55.8 . 1 639 . 64 LYS HA H 5.08 . 1 640 . 64 LYS CB C 34.4 . 1 641 . 64 LYS HB2 H 1.73 . 2 642 . 64 LYS HB3 H 1.64 . 2 643 . 64 LYS CG C 25.7 . 1 644 . 64 LYS HG2 H 1.42 . 2 645 . 64 LYS HG3 H 1.30 . 2 646 . 64 LYS CD C 29.9 . 1 647 . 64 LYS HD2 H 1.64 . 1 648 . 64 LYS HD3 H 1.64 . 1 649 . 64 LYS CE C 42.2 . 1 650 . 64 LYS HE2 H 2.90 . 1 651 . 64 LYS HE3 H 2.90 . 1 652 . 64 LYS C C 176.3 . 1 653 . 65 GLN N N 123.1 . 1 654 . 65 GLN H H 8.75 . 1 655 . 65 GLN CA C 53.2 . 1 656 . 65 GLN HA H 4.99 . 1 657 . 65 GLN CB C 31.2 . 1 658 . 65 GLN HB2 H 2.16 . 2 659 . 65 GLN HB3 H 1.89 . 2 660 . 65 GLN CG C 33.1 . 1 661 . 65 GLN HG2 H 2.33 . 1 662 . 65 GLN HG3 H 2.33 . 1 663 . 65 GLN NE2 N 112.2 . 1 664 . 65 GLN HE21 H 7.56 . 2 665 . 65 GLN HE22 H 6.75 . 2 666 . 65 GLN C C 172.8 . 1 667 . 66 PRO CD C 51.3 . 1 668 . 66 PRO CA C 63.2 . 1 669 . 66 PRO HA H 4.98 . 1 670 . 66 PRO CB C 32.8 . 1 671 . 66 PRO HB2 H 2.51 . 2 672 . 66 PRO HB3 H 2.06 . 2 673 . 66 PRO CG C 28.0 . 1 674 . 66 PRO HD2 H 3.87 . 2 675 . 66 PRO HD3 H 3.76 . 2 676 . 66 PRO C C 177.1 . 1 677 . 67 GLY N N 109.1 . 1 678 . 67 GLY H H 8.44 . 1 679 . 67 GLY CA C 45.1 . 1 680 . 67 GLY HA2 H 4.41 . 2 681 . 67 GLY HA3 H 3.58 . 2 682 . 67 GLY C C 171.3 . 1 683 . 68 ILE N N 122.4 . 1 684 . 68 ILE H H 8.48 . 1 685 . 68 ILE CA C 58.4 . 1 686 . 68 ILE HA H 4.87 . 1 687 . 68 ILE CB C 38.6 . 1 688 . 68 ILE HB H 1.81 . 1 689 . 68 ILE HG2 H 0.78 . 1 690 . 68 ILE CG2 C 18.6 . 1 691 . 68 ILE CG1 C 27.7 . 1 692 . 68 ILE HG12 H 1.49 . 2 693 . 68 ILE HG13 H 1.25 . 2 694 . 68 ILE HD1 H 0.75 . 1 695 . 68 ILE CD1 C 10.8 . 1 696 . 68 ILE C C 174.5 . 1 697 . 69 PHE N N 123.5 . 1 698 . 69 PHE H H 9.06 . 1 699 . 69 PHE CA C 55.8 . 1 700 . 69 PHE HA H 5.42 . 1 701 . 69 PHE CB C 43.8 . 1 702 . 69 PHE HB2 H 2.76 . 2 703 . 69 PHE HB3 H 2.43 . 2 704 . 69 PHE HD1 H 6.95 . 1 705 . 69 PHE HD2 H 6.95 . 1 706 . 69 PHE HE1 H 6.99 . 1 707 . 69 PHE HE2 H 6.99 . 1 708 . 69 PHE CD1 C 132.1 . 1 709 . 69 PHE CE1 C 130.6 . 1 710 . 69 PHE C C 176.0 . 1 711 . 70 ILE N N 121.3 . 1 712 . 70 ILE H H 8.97 . 1 713 . 70 ILE CA C 62.1 . 1 714 . 70 ILE HA H 4.48 . 1 715 . 70 ILE CB C 36.4 . 1 716 . 70 ILE HB H 2.36 . 1 717 . 70 ILE HG2 H 0.84 . 1 718 . 70 ILE CG2 C 17.3 . 1 719 . 70 ILE CG1 C 28.0 . 1 720 . 70 ILE HG12 H 1.52 . 2 721 . 70 ILE HG13 H 1.17 . 2 722 . 70 ILE HD1 H 0.51 . 1 723 . 70 ILE CD1 C 12.4 . 1 724 . 70 ILE C C 177.0 . 1 725 . 71 SER N N 125.9 . 1 726 . 71 SER H H 9.61 . 1 727 . 71 SER CA C 58.7 . 1 728 . 71 SER HA H 4.78 . 1 729 . 71 SER CB C 65.2 . 1 730 . 71 SER HB2 H 3.96 . 2 731 . 71 SER HB3 H 3.46 . 2 732 . 71 SER C C 175.1 . 1 733 . 72 ARG N N 120.1 . 1 734 . 72 ARG H H 7.24 . 1 735 . 72 ARG CA C 56.8 . 1 736 . 72 ARG HA H 4.42 . 1 737 . 72 ARG CB C 33.8 . 1 738 . 72 ARG HB2 H 1.96 . 2 739 . 72 ARG HB3 H 1.65 . 2 740 . 72 ARG CG C 27.7 . 1 741 . 72 ARG HG2 H 1.43 . 1 742 . 72 ARG HG3 H 1.43 . 1 743 . 72 ARG CD C 43.8 . 1 744 . 72 ARG HD2 H 3.03 . 2 745 . 72 ARG HD3 H 2.93 . 2 746 . 72 ARG C C 173.7 . 1 747 . 73 LEU N N 125.2 . 1 748 . 73 LEU H H 8.92 . 1 749 . 73 LEU CA C 53.5 . 1 750 . 73 LEU HA H 4.96 . 1 751 . 73 LEU CB C 44.1 . 1 752 . 73 LEU HB2 H 1.77 . 2 753 . 73 LEU HB3 H 1.36 . 2 754 . 73 LEU CG C 28.3 . 1 755 . 73 LEU HG H 1.53 . 1 756 . 73 LEU HD1 H 0.84 . 2 757 . 73 LEU HD2 H 0.76 . 2 758 . 73 LEU CD1 C 26.0 . 1 759 . 73 LEU CD2 C 25.0 . 1 760 . 73 LEU C C 176.1 . 1 761 . 74 VAL N N 124.0 . 1 762 . 74 VAL H H 7.89 . 1 763 . 74 VAL CA C 61.0 . 1 764 . 74 VAL HA H 4.25 . 1 765 . 74 VAL CB C 34.1 . 1 766 . 74 VAL HB H 1.81 . 1 767 . 74 VAL HG1 H 1.02 . 2 768 . 74 VAL HG2 H 0.94 . 2 769 . 74 VAL CG1 C 20.2 . 1 770 . 74 VAL CG2 C 21.5 . 1 771 . 74 VAL C C 174.7 . 1 772 . 75 PRO CD C 52.2 . 1 773 . 75 PRO CA C 64.2 . 1 774 . 75 PRO HA H 4.54 . 1 775 . 75 PRO CB C 31.8 . 1 776 . 75 PRO HB2 H 2.40 . 2 777 . 75 PRO HB3 H 1.94 . 2 778 . 75 PRO CG C 28.3 . 1 779 . 75 PRO HG2 H 2.19 . 2 780 . 75 PRO HG3 H 2.04 . 2 781 . 75 PRO HD2 H 4.17 . 2 782 . 75 PRO HD3 H 3.73 . 2 783 . 75 PRO C C 178.1 . 1 784 . 76 GLY N N 114.9 . 1 785 . 76 GLY H H 9.46 . 1 786 . 76 GLY CA C 45.8 . 1 787 . 76 GLY HA2 H 4.19 . 2 788 . 76 GLY HA3 H 3.77 . 2 789 . 76 GLY C C 175.3 . 1 790 . 77 GLY N N 105.8 . 1 791 . 77 GLY H H 7.93 . 1 792 . 77 GLY CA C 44.8 . 1 793 . 77 GLY HA2 H 4.30 . 2 794 . 77 GLY HA3 H 3.87 . 2 795 . 77 GLY C C 174.5 . 1 796 . 78 LEU N N 120.4 . 1 797 . 78 LEU H H 8.92 . 1 798 . 78 LEU CA C 58.0 . 1 799 . 78 LEU HA H 4.05 . 1 800 . 78 LEU CB C 42.8 . 1 801 . 78 LEU HB2 H 1.73 . 2 802 . 78 LEU HB3 H 1.66 . 2 803 . 78 LEU CG C 27.4 . 1 804 . 78 LEU CD1 C 25.3 . 1 805 . 78 LEU C C 180.3 . 1 806 . 79 ALA N N 120.3 . 1 807 . 79 ALA H H 8.23 . 1 808 . 79 ALA CA C 56.1 . 1 809 . 79 ALA HA H 3.90 . 1 810 . 79 ALA HB H 1.36 . 1 811 . 79 ALA CB C 19.2 . 1 812 . 79 ALA C C 180.2 . 1 813 . 80 GLU N N 122.2 . 1 814 . 80 GLU H H 9.46 . 1 815 . 80 GLU CA C 60.0 . 1 816 . 80 GLU HA H 3.93 . 1 817 . 80 GLU CB C 30.2 . 1 818 . 80 GLU HB2 H 2.17 . 2 819 . 80 GLU HB3 H 2.07 . 2 820 . 80 GLU CG C 37.1 . 1 821 . 80 GLU HG2 H 2.23 . 1 822 . 80 GLU HG3 H 2.23 . 1 823 . 80 GLU C C 178.5 . 1 824 . 81 SER N N 114.5 . 1 825 . 81 SER H H 8.06 . 1 826 . 81 SER CA C 61.6 . 1 827 . 81 SER HA H 4.30 . 1 828 . 81 SER CB C 63.7 . 1 829 . 81 SER HB2 H 4.05 . 1 830 . 81 SER HB3 H 4.05 . 1 831 . 81 SER C C 175.9 . 1 832 . 82 THR N N 109.9 . 1 833 . 82 THR H H 7.53 . 1 834 . 82 THR CA C 63.9 . 1 835 . 82 THR HA H 4.23 . 1 836 . 82 THR CB C 71.3 . 1 837 . 82 THR HB H 4.18 . 1 838 . 82 THR HG2 H 1.44 . 1 839 . 82 THR CG2 C 22.1 . 1 840 . 82 THR C C 176.6 . 1 841 . 83 GLY N N 109.2 . 1 842 . 83 GLY H H 7.51 . 1 843 . 83 GLY CA C 46.7 . 1 844 . 83 GLY HA2 H 4.07 . 2 845 . 83 GLY HA3 H 4.00 . 2 846 . 83 GLY C C 175.0 . 1 847 . 84 LEU N N 118.7 . 1 848 . 84 LEU H H 7.79 . 1 849 . 84 LEU CA C 55.1 . 1 850 . 84 LEU HA H 4.39 . 1 851 . 84 LEU CB C 45.8 . 1 852 . 84 LEU HB2 H 1.57 . 2 853 . 84 LEU HB3 H 1.41 . 2 854 . 84 LEU CG C 26.7 . 1 855 . 84 LEU HG H 0.98 . 1 856 . 84 LEU HD2 H 0.86 . 2 857 . 84 LEU CD2 C 22.8 . 1 858 . 84 LEU C C 175.7 . 1 859 . 85 LEU N N 118.1 . 1 860 . 85 LEU H H 7.60 . 1 861 . 85 LEU CA C 55.1 . 1 862 . 85 LEU HA H 4.70 . 1 863 . 85 LEU CB C 47.0 . 1 864 . 85 LEU HB2 H 1.26 . 2 865 . 85 LEU HB3 H 1.03 . 2 866 . 85 LEU HD1 H 0.64 . 2 867 . 85 LEU HD2 H 0.41 . 2 868 . 85 LEU CD1 C 24.7 . 1 869 . 85 LEU CD2 C 26.0 . 1 870 . 85 LEU C C 174.7 . 1 871 . 86 ALA N N 126.4 . 1 872 . 86 ALA H H 9.01 . 1 873 . 86 ALA CA C 50.6 . 1 874 . 86 ALA HA H 4.57 . 1 875 . 86 ALA HB H 1.35 . 1 876 . 86 ALA CB C 22.8 . 1 877 . 86 ALA C C 176.2 . 1 878 . 87 VAL N N 119.4 . 1 879 . 87 VAL H H 8.19 . 1 880 . 87 VAL CA C 65.6 . 1 881 . 87 VAL HA H 3.24 . 1 882 . 87 VAL CB C 31.8 . 1 883 . 87 VAL HB H 1.84 . 1 884 . 87 VAL HG1 H 0.95 . 2 885 . 87 VAL CG1 C 23.1 . 1 886 . 87 VAL C C 176.7 . 1 887 . 88 ASN N N 117.1 . 1 888 . 88 ASN H H 9.07 . 1 889 . 88 ASN CA C 56.8 . 1 890 . 88 ASN HA H 4.27 . 1 891 . 88 ASN CB C 37.3 . 1 892 . 88 ASN HB2 H 3.51 . 2 893 . 88 ASN HB3 H 3.00 . 2 894 . 88 ASN ND2 N 115.0 . 1 895 . 88 ASN HD21 H 7.62 . 2 896 . 88 ASN HD22 H 6.95 . 2 897 . 88 ASN C C 175.3 . 1 898 . 89 ASP N N 123.2 . 1 899 . 89 ASP H H 8.17 . 1 900 . 89 ASP CA C 56.8 . 1 901 . 89 ASP HA H 4.56 . 1 902 . 89 ASP CB C 40.9 . 1 903 . 89 ASP HB2 H 2.84 . 2 904 . 89 ASP HB3 H 2.18 . 2 905 . 89 ASP C C 175.6 . 1 906 . 90 GLU N N 123.4 . 1 907 . 90 GLU H H 8.29 . 1 908 . 90 GLU CA C 54.8 . 1 909 . 90 GLU HA H 4.36 . 1 910 . 90 GLU CB C 31.8 . 1 911 . 90 GLU HB2 H 1.86 . 2 912 . 90 GLU HB3 H 1.79 . 2 913 . 90 GLU CG C 35.7 . 1 914 . 90 GLU HG2 H 1.54 . 2 915 . 90 GLU HG3 H 1.29 . 2 916 . 90 GLU C C 176.6 . 1 917 . 91 VAL N N 128.6 . 1 918 . 91 VAL H H 8.89 . 1 919 . 91 VAL CA C 63.5 . 1 920 . 91 VAL HA H 3.75 . 1 921 . 91 VAL CB C 32.2 . 1 922 . 91 VAL HB H 1.69 . 1 923 . 91 VAL HG1 H 0.66 . 2 924 . 91 VAL CG1 C 21.5 . 1 925 . 91 VAL C C 174.0 . 1 926 . 92 ILE N N 123.2 . 1 927 . 92 ILE H H 8.91 . 1 928 . 92 ILE CA C 61.0 . 1 929 . 92 ILE HA H 4.39 . 1 930 . 92 ILE CB C 39.0 . 1 931 . 92 ILE HB H 1.62 . 1 932 . 92 ILE HG2 H 0.81 . 1 933 . 92 ILE CG2 C 18.3 . 1 934 . 92 ILE CG1 C 26.7 . 1 935 . 92 ILE HG12 H 1.07 . 2 936 . 92 ILE HG13 H 0.79 . 2 937 . 92 ILE HD1 H 0.39 . 1 938 . 92 ILE CD1 C 10.5 . 1 939 . 92 ILE C C 178.0 . 1 940 . 93 GLU N N 118.6 . 1 941 . 93 GLU H H 7.69 . 1 942 . 93 GLU CA C 55.1 . 1 943 . 93 GLU HA H 5.20 . 1 944 . 93 GLU CB C 35.6 . 1 945 . 93 GLU HB2 H 1.54 . 1 946 . 93 GLU HB3 H 1.54 . 1 947 . 93 GLU CG C 35.7 . 1 948 . 93 GLU HG2 H 1.93 . 2 949 . 93 GLU HG3 H 1.88 . 2 950 . 93 GLU C C 175.2 . 1 951 . 94 VAL N N 121.0 . 1 952 . 94 VAL H H 8.58 . 1 953 . 94 VAL CA C 62.3 . 1 954 . 94 VAL HA H 4.38 . 1 955 . 94 VAL CB C 34.7 . 1 956 . 94 VAL HB H 1.94 . 1 957 . 94 VAL HG1 H 0.84 . 2 958 . 94 VAL HG2 H 0.77 . 2 959 . 94 VAL CG1 C 22.1 . 1 960 . 94 VAL CG2 C 21.5 . 1 961 . 94 VAL C C 175.0 . 1 962 . 95 ASN N N 128.3 . 1 963 . 95 ASN H H 9.87 . 1 964 . 95 ASN CA C 55.5 . 1 965 . 95 ASN HA H 3.98 . 1 966 . 95 ASN CB C 37.3 . 1 967 . 95 ASN HB2 H 2.98 . 2 968 . 95 ASN HB3 H 2.45 . 2 969 . 95 ASN ND2 N 111.4 . 1 970 . 95 ASN HD21 H 7.47 . 2 971 . 95 ASN HD22 H 7.31 . 2 972 . 95 ASN C C 174.7 . 1 973 . 96 GLY N N 101.9 . 1 974 . 96 GLY H H 8.21 . 1 975 . 96 GLY CA C 45.8 . 1 976 . 96 GLY HA2 H 4.02 . 2 977 . 96 GLY HA3 H 3.60 . 2 978 . 96 GLY C C 173.3 . 1 979 . 97 ILE N N 122.9 . 1 980 . 97 ILE H H 7.90 . 1 981 . 97 ILE CA C 59.7 . 1 982 . 97 ILE HA H 4.23 . 1 983 . 97 ILE CB C 38.0 . 1 984 . 97 ILE HB H 2.07 . 1 985 . 97 ILE HG2 H 0.93 . 1 986 . 97 ILE CG2 C 17.6 . 1 987 . 97 ILE CG1 C 27.0 . 1 988 . 97 ILE HG12 H 1.46 . 2 989 . 97 ILE HG13 H 1.19 . 2 990 . 97 ILE HD1 H 0.83 . 1 991 . 97 ILE CD1 C 11.8 . 1 992 . 97 ILE C C 176.1 . 1 993 . 98 GLU N N 127.1 . 1 994 . 98 GLU H H 8.84 . 1 995 . 98 GLU CA C 57.4 . 1 996 . 98 GLU HA H 4.46 . 1 997 . 98 GLU CB C 30.2 . 1 998 . 98 GLU HB2 H 2.23 . 2 999 . 98 GLU HB3 H 2.13 . 2 1000 . 98 GLU CG C 36.7 . 1 1001 . 98 GLU HG2 H 2.50 . 2 1002 . 98 GLU HG3 H 2.35 . 2 1003 . 98 GLU C C 177.2 . 1 1004 . 99 VAL N N 113.6 . 1 1005 . 99 VAL H H 7.35 . 1 1006 . 99 VAL CA C 61.9 . 1 1007 . 99 VAL HA H 4.03 . 1 1008 . 99 VAL CB C 31.5 . 1 1009 . 99 VAL HB H 2.24 . 1 1010 . 99 VAL HG1 H 0.74 . 2 1011 . 99 VAL HG2 H 0.68 . 2 1012 . 99 VAL CG1 C 22.8 . 1 1013 . 99 VAL CG2 C 19.8 . 1 1014 . 99 VAL C C 175.5 . 1 1015 . 100 ALA N N 125.3 . 1 1016 . 100 ALA H H 7.58 . 1 1017 . 100 ALA CA C 54.2 . 1 1018 . 100 ALA HA H 4.18 . 1 1019 . 100 ALA HB H 1.36 . 1 1020 . 100 ALA CB C 18.6 . 1 1021 . 100 ALA C C 178.6 . 1 1022 . 101 GLY N N 111.9 . 1 1023 . 101 GLY H H 8.82 . 1 1024 . 101 GLY CA C 45.8 . 1 1025 . 101 GLY HA2 H 4.19 . 2 1026 . 101 GLY HA3 H 3.70 . 2 1027 . 101 GLY C C 174.6 . 1 1028 . 102 LYS N N 120.6 . 1 1029 . 102 LYS H H 7.97 . 1 1030 . 102 LYS CA C 55.1 . 1 1031 . 102 LYS HA H 4.71 . 1 1032 . 102 LYS CB C 34.7 . 1 1033 . 102 LYS HB2 H 1.96 . 2 1034 . 102 LYS HB3 H 1.81 . 2 1035 . 102 LYS CG C 26.4 . 1 1036 . 102 LYS HG2 H 1.29 . 1 1037 . 102 LYS HG3 H 1.29 . 1 1038 . 102 LYS CD C 29.6 . 1 1039 . 102 LYS HD2 H 1.57 . 2 1040 . 102 LYS HD3 H 1.46 . 2 1041 . 102 LYS CE C 43.2 . 1 1042 . 102 LYS HE2 H 2.97 . 1 1043 . 102 LYS HE3 H 2.97 . 1 1044 . 102 LYS C C 176.8 . 1 1045 . 103 THR N N 111.5 . 1 1046 . 103 THR H H 8.55 . 1 1047 . 103 THR CA C 60.6 . 1 1048 . 103 THR HA H 4.47 . 1 1049 . 103 THR CB C 71.6 . 1 1050 . 103 THR HB H 4.75 . 1 1051 . 103 THR HG2 H 1.33 . 1 1052 . 103 THR CG2 C 22.3 . 1 1053 . 103 THR C C 175.8 . 1 1054 . 104 LEU N N 121.8 . 1 1055 . 104 LEU H H 8.98 . 1 1056 . 104 LEU CA C 59.0 . 1 1057 . 104 LEU HA H 3.89 . 1 1058 . 104 LEU CB C 41.9 . 1 1059 . 104 LEU HB2 H 1.76 . 1 1060 . 104 LEU HB3 H 1.76 . 1 1061 . 104 LEU CG C 27.6 . 1 1062 . 104 LEU HG H 1.17 . 1 1063 . 104 LEU HD2 H 0.90 . 2 1064 . 104 LEU CD1 C 25.1 . 1 1065 . 104 LEU CD2 C 24.7 . 1 1066 . 104 LEU C C 179.9 . 1 1067 . 105 ASP N N 118.3 . 1 1068 . 105 ASP H H 8.40 . 1 1069 . 105 ASP CA C 57.6 . 1 1070 . 105 ASP HA H 4.36 . 1 1071 . 105 ASP CB C 40.6 . 1 1072 . 105 ASP HB2 H 2.72 . 2 1073 . 105 ASP HB3 H 2.52 . 2 1074 . 105 ASP C C 178.4 . 1 1075 . 106 GLN N N 119.8 . 1 1076 . 106 GLN H H 7.68 . 1 1077 . 106 GLN CA C 59.0 . 1 1078 . 106 GLN HA H 4.11 . 1 1079 . 106 GLN CB C 29.2 . 1 1080 . 106 GLN HB2 H 2.52 . 2 1081 . 106 GLN HB3 H 1.90 . 2 1082 . 106 GLN CG C 35.4 . 1 1083 . 106 GLN HG2 H 2.50 . 1 1084 . 106 GLN HG3 H 2.50 . 1 1085 . 106 GLN NE2 N 111.1 . 1 1086 . 106 GLN HE21 H 7.53 . 2 1087 . 106 GLN HE22 H 6.79 . 2 1088 . 106 GLN C C 180.1 . 1 1089 . 107 VAL N N 121.9 . 1 1090 . 107 VAL H H 8.47 . 1 1091 . 107 VAL CA C 67.1 . 1 1092 . 107 VAL HA H 3.73 . 1 1093 . 107 VAL CB C 31.5 . 1 1094 . 107 VAL HB H 2.10 . 1 1095 . 107 VAL HG1 H 0.99 . 2 1096 . 107 VAL HG2 H 0.88 . 2 1097 . 107 VAL CG1 C 24.1 . 1 1098 . 107 VAL CG2 C 22.5 . 1 1099 . 107 VAL C C 178.2 . 1 1100 . 108 THR N N 119.1 . 1 1101 . 108 THR H H 8.72 . 1 1102 . 108 THR CA C 68.4 . 1 1103 . 108 THR HA H 4.40 . 1 1104 . 108 THR CB C 68.1 . 1 1105 . 108 THR HB H 3.77 . 1 1106 . 108 THR HG2 H 1.22 . 1 1107 . 108 THR CG2 C 21.8 . 1 1108 . 108 THR C C 176.6 . 1 1109 . 109 ASP N N 121.2 . 1 1110 . 109 ASP H H 7.97 . 1 1111 . 109 ASP CA C 58.0 . 1 1112 . 109 ASP HA H 4.39 . 1 1113 . 109 ASP CB C 40.3 . 1 1114 . 109 ASP HB2 H 2.83 . 2 1115 . 109 ASP HB3 H 2.64 . 2 1116 . 109 ASP C C 179.3 . 1 1117 . 110 MET N N 119.7 . 1 1118 . 110 MET H H 7.80 . 1 1119 . 110 MET CA C 59.7 . 1 1120 . 110 MET HA H 4.11 . 1 1121 . 110 MET CB C 34.4 . 1 1122 . 110 MET HB2 H 2.40 . 2 1123 . 110 MET HB3 H 2.04 . 2 1124 . 110 MET CG C 31.8 . 1 1125 . 110 MET HG2 H 2.84 . 2 1126 . 110 MET HG3 H 2.56 . 2 1127 . 110 MET HE H 1.96 . 1 1128 . 110 MET CE C 17.0 . 1 1129 . 110 MET C C 178.9 . 1 1130 . 111 MET N N 119.4 . 1 1131 . 111 MET H H 8.09 . 1 1132 . 111 MET CA C 59.7 . 1 1133 . 111 MET HA H 3.97 . 1 1134 . 111 MET CB C 32.8 . 1 1135 . 111 MET HB2 H 2.41 . 2 1136 . 111 MET HB3 H 1.89 . 2 1137 . 111 MET CG C 33.5 . 1 1138 . 111 MET HG2 H 2.94 . 2 1139 . 111 MET HG3 H 2.41 . 2 1140 . 111 MET HE H 1.88 . 1 1141 . 111 MET CE C 17.9 . 1 1142 . 111 MET C C 178.1 . 1 1143 . 112 VAL N N 118.5 . 1 1144 . 112 VAL H H 8.22 . 1 1145 . 112 VAL CA C 66.1 . 1 1146 . 112 VAL HA H 3.67 . 1 1147 . 112 VAL CB C 32.2 . 1 1148 . 112 VAL HB H 2.18 . 1 1149 . 112 VAL HG1 H 1.06 . 2 1150 . 112 VAL HG2 H 0.94 . 2 1151 . 112 VAL CG1 C 22.5 . 1 1152 . 112 VAL CG2 C 21.2 . 1 1153 . 112 VAL C C 179.9 . 1 1154 . 113 ALA N N 123.0 . 1 1155 . 113 ALA H H 8.19 . 1 1156 . 113 ALA CA C 54.8 . 1 1157 . 113 ALA HA H 4.17 . 1 1158 . 113 ALA HB H 1.46 . 1 1159 . 113 ALA CB C 18.6 . 1 1160 . 113 ALA C C 178.8 . 1 1161 . 114 ASN N N 114.7 . 1 1162 . 114 ASN H H 7.31 . 1 1163 . 114 ASN CA C 53.5 . 1 1164 . 114 ASN HA H 4.92 . 1 1165 . 114 ASN CB C 40.6 . 1 1166 . 114 ASN HB2 H 3.09 . 2 1167 . 114 ASN HB3 H 2.39 . 2 1168 . 114 ASN ND2 N 115.8 . 1 1169 . 114 ASN HD21 H 7.63 . 2 1170 . 114 ASN HD22 H 7.06 . 2 1171 . 114 ASN C C 175.7 . 1 1172 . 115 SER N N 115.4 . 1 1173 . 115 SER H H 7.55 . 1 1174 . 115 SER CA C 62.6 . 1 1175 . 115 SER HA H 4.04 . 1 1176 . 115 SER CB C 64.1 . 1 1177 . 115 SER C C 175.3 . 1 1178 . 116 SER N N 115.9 . 1 1179 . 116 SER H H 8.41 . 1 1180 . 116 SER CA C 60.3 . 1 1181 . 116 SER HA H 4.42 . 1 1182 . 116 SER CB C 63.9 . 1 1183 . 116 SER HB2 H 3.92 . 1 1184 . 116 SER HB3 H 3.92 . 1 1185 . 116 SER C C 174.3 . 1 1186 . 117 ASN N N 121.0 . 1 1187 . 117 ASN H H 7.85 . 1 1188 . 117 ASN CA C 53.5 . 1 1189 . 117 ASN HA H 4.77 . 1 1190 . 117 ASN CB C 39.0 . 1 1191 . 117 ASN HB2 H 2.65 . 1 1192 . 117 ASN HB3 H 2.65 . 1 1193 . 117 ASN ND2 N 111.3 . 1 1194 . 117 ASN HD21 H 7.44 . 2 1195 . 117 ASN HD22 H 6.63 . 2 1196 . 117 ASN C C 172.9 . 1 1197 . 118 LEU N N 127.1 . 1 1198 . 118 LEU H H 8.24 . 1 1199 . 118 LEU CA C 55.8 . 1 1200 . 118 LEU HA H 4.70 . 1 1201 . 118 LEU CB C 43.2 . 1 1202 . 118 LEU HB2 H 2.01 . 2 1203 . 118 LEU HB3 H 1.55 . 2 1204 . 118 LEU CG C 28.0 . 1 1205 . 118 LEU HG H 1.06 . 1 1206 . 118 LEU HD1 H 1.04 . 2 1207 . 118 LEU HD2 H 0.86 . 2 1208 . 118 LEU CD1 C 25.0 . 1 1209 . 118 LEU CD2 C 24.9 . 1 1210 . 118 LEU C C 175.3 . 1 1211 . 119 ILE N N 127.5 . 1 1212 . 119 ILE H H 8.90 . 1 1213 . 119 ILE CA C 60.3 . 1 1214 . 119 ILE HA H 4.91 . 1 1215 . 119 ILE CB C 40.6 . 1 1216 . 119 ILE HB H 1.54 . 1 1217 . 119 ILE HG2 H 0.67 . 1 1218 . 119 ILE CG2 C 17.9 . 1 1219 . 119 ILE CG1 C 28.0 . 1 1220 . 119 ILE HG12 H 1.54 . 2 1221 . 119 ILE HG13 H 0.78 . 2 1222 . 119 ILE HD1 H 0.79 . 1 1223 . 119 ILE CD1 C 13.7 . 1 1224 . 119 ILE C C 176.2 . 1 1225 . 120 ILE N N 126.4 . 1 1226 . 120 ILE H H 9.06 . 1 1227 . 120 ILE CA C 59.0 . 1 1228 . 120 ILE HA H 4.99 . 1 1229 . 120 ILE CB C 41.2 . 1 1230 . 120 ILE HB H 1.70 . 1 1231 . 120 ILE HG2 H 0.89 . 1 1232 . 120 ILE CG2 C 18.9 . 1 1233 . 120 ILE CG1 C 26.7 . 1 1234 . 120 ILE HG12 H 1.52 . 2 1235 . 120 ILE HG13 H 1.01 . 2 1236 . 120 ILE HD1 H 0.63 . 1 1237 . 120 ILE CD1 C 14.0 . 1 1238 . 120 ILE C C 174.6 . 1 1239 . 121 THR N N 123.1 . 1 1240 . 121 THR H H 8.61 . 1 1241 . 121 THR CA C 61.3 . 1 1242 . 121 THR HA H 5.33 . 1 1243 . 121 THR CB C 68.7 . 1 1244 . 121 THR HB H 3.78 . 1 1245 . 121 THR HG2 H 0.96 . 1 1246 . 121 THR CG2 C 22.5 . 1 1247 . 121 THR C C 174.8 . 1 1248 . 122 VAL N N 121.1 . 1 1249 . 122 VAL H H 9.37 . 1 1250 . 122 VAL CA C 58.4 . 1 1251 . 122 VAL HA H 5.60 . 1 1252 . 122 VAL CB C 36.4 . 1 1253 . 122 VAL HB H 1.84 . 1 1254 . 122 VAL HG1 H 0.69 . 2 1255 . 122 VAL HG2 H 0.76 . 2 1256 . 122 VAL CG1 C 21.5 . 1 1257 . 122 VAL CG2 C 18.6 . 1 1258 . 122 VAL C C 174.9 . 1 1259 . 123 LYS N N 124.1 . 1 1260 . 123 LYS H H 9.15 . 1 1261 . 123 LYS CA C 52.9 . 1 1262 . 123 LYS HA H 5.19 . 1 1263 . 123 LYS CB C 34.7 . 1 1264 . 123 LYS HB2 H 1.94 . 2 1265 . 123 LYS HB3 H 1.50 . 2 1266 . 123 LYS CG C 24.7 . 1 1267 . 123 LYS HG2 H 1.48 . 2 1268 . 123 LYS HG3 H 1.34 . 2 1269 . 123 LYS CE C 42.5 . 1 1270 . 123 LYS HE2 H 2.99 . 1 1271 . 123 LYS HE3 H 2.99 . 1 1272 . 123 LYS C C 172.3 . 1 1273 . 124 PRO CD C 52.2 . 1 1274 . 124 PRO CA C 62.7 . 1 1275 . 124 PRO HA H 4.40 . 1 1276 . 124 PRO CB C 33.1 . 1 1277 . 124 PRO HB2 H 2.33 . 2 1278 . 124 PRO HB3 H 1.92 . 2 1279 . 124 PRO CG C 28.0 . 1 1280 . 124 PRO HG2 H 2.05 . 2 1281 . 124 PRO HG3 H 1.73 . 2 1282 . 124 PRO HD2 H 3.94 . 2 1283 . 124 PRO HD3 H 3.82 . 2 1284 . 124 PRO C C 177.0 . 1 1285 . 125 ALA N N 126.9 . 1 1286 . 125 ALA H H 9.46 . 1 1287 . 125 ALA CA C 53.5 . 1 1288 . 125 ALA HA H 4.27 . 1 1289 . 125 ALA HB H 1.42 . 1 1290 . 125 ALA CB C 19.2 . 1 1291 . 125 ALA C C 178.5 . 1 1292 . 126 ASN N N 116.6 . 1 1293 . 126 ASN H H 8.52 . 1 1294 . 126 ASN CA C 53.2 . 1 1295 . 126 ASN HA H 4.67 . 1 1296 . 126 ASN CB C 39.0 . 1 1297 . 126 ASN HB2 H 2.81 . 1 1298 . 126 ASN HB3 H 2.81 . 1 1299 . 126 ASN ND2 N 113.2 . 1 1300 . 126 ASN HD21 H 7.60 . 2 1301 . 126 ASN HD22 H 6.89 . 2 1302 . 126 ASN C C 175.0 . 1 1303 . 127 GLN N N 121.2 . 1 1304 . 127 GLN H H 8.24 . 1 1305 . 127 GLN CA C 56.1 . 1 1306 . 127 GLN HA H 4.35 . 1 1307 . 127 GLN CB C 29.9 . 1 1308 . 127 GLN HB2 H 2.16 . 2 1309 . 127 GLN HB3 H 1.96 . 2 1310 . 127 GLN CG C 34.1 . 1 1311 . 127 GLN HG2 H 2.35 . 1 1312 . 127 GLN HG3 H 2.35 . 1 1313 . 127 GLN NE2 N 113.2 . 1 1314 . 127 GLN HE21 H 7.64 . 2 1315 . 127 GLN HE22 H 6.90 . 2 1316 . 127 GLN C C 175.0 . 1 1317 . 128 ARG N N 127.9 . 1 1318 . 128 ARG H H 7.95 . 1 1319 . 128 ARG CA C 57.7 . 1 1320 . 128 ARG HA H 4.17 . 1 1321 . 128 ARG CB C 31.8 . 1 1322 . 128 ARG HB2 H 1.85 . 2 1323 . 128 ARG HB3 H 1.73 . 2 1324 . 128 ARG CG C 27.3 . 1 1325 . 128 ARG HG2 H 1.59 . 1 1326 . 128 ARG HG3 H 1.59 . 1 1327 . 128 ARG HD2 H 3.20 . 1 1328 . 128 ARG HD3 H 3.20 . 1 1329 . 128 ARG C C 181.0 . 1 stop_ save_