data_4670 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H,13C and 15N chemical shift backbone NMR assignment and secondary structure of the Arabidopsis thaliana PIN1At ; _BMRB_accession_number 4670 _BMRB_flat_file_name bmr4670.str _Entry_type original _Submission_date 2000-03-16 _Accession_date 2000-03-16 _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 Landrieu Isabelle . . 2 Wieruszeski Jean-Michel . . 3 Odaert Benoit . . 4 Inze Dirk . . 5 Lippens Guy . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 540 "13C chemical shifts" 393 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-04-12 update authors 'updated chemical shift table' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific 1H, 13C and 15N chemical shift backbone NMR assignment and secondary structure of the Arabidopsis thaliana PIN1At protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Landrieu Isabelle . . 2 Wieruszeski Jean-Michel . . 3 Odaert Benoit . . 4 Inze Dirk . . 5 Grzesiek Stephan . . 6 Lippens Guy . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 17 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 271 _Page_last 272 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_system_PIN1At _Saveframe_category molecular_system _Mol_system_name PIN1At _Abbreviation_common PIN1At _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PIN1At $PIN1At stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Prolyl cis/trans isomerase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PIN1At _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Arabidopsis thaliana prolyl cis/trans isomerase' _Abbreviation_common 'A. thaliana PPIase' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; HMASRDQVKASHILIKHQGS RRKASWKDPEGKIILTTTRE AAVEQLKSIREDIVSGKANF EEVATRVSDCSSAKRGGDLG SFGRGQMQKPFEEATYALKV GDISDIVDTDSGVHIIKRTA ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 MET 3 ALA 4 SER 5 ARG 6 ASP 7 GLN 8 VAL 9 LYS 10 ALA 11 SER 12 HIS 13 ILE 14 LEU 15 ILE 16 LYS 17 HIS 18 GLN 19 GLY 20 SER 21 ARG 22 ARG 23 LYS 24 ALA 25 SER 26 TRP 27 LYS 28 ASP 29 PRO 30 GLU 31 GLY 32 LYS 33 ILE 34 ILE 35 LEU 36 THR 37 THR 38 THR 39 ARG 40 GLU 41 ALA 42 ALA 43 VAL 44 GLU 45 GLN 46 LEU 47 LYS 48 SER 49 ILE 50 ARG 51 GLU 52 ASP 53 ILE 54 VAL 55 SER 56 GLY 57 LYS 58 ALA 59 ASN 60 PHE 61 GLU 62 GLU 63 VAL 64 ALA 65 THR 66 ARG 67 VAL 68 SER 69 ASP 70 CYS 71 SER 72 SER 73 ALA 74 LYS 75 ARG 76 GLY 77 GLY 78 ASP 79 LEU 80 GLY 81 SER 82 PHE 83 GLY 84 ARG 85 GLY 86 GLN 87 MET 88 GLN 89 LYS 90 PRO 91 PHE 92 GLU 93 GLU 94 ALA 95 THR 96 TYR 97 ALA 98 LEU 99 LYS 100 VAL 101 GLY 102 ASP 103 ILE 104 SER 105 ASP 106 ILE 107 VAL 108 ASP 109 THR 110 ASP 111 SER 112 GLY 113 VAL 114 HIS 115 ILE 116 ILE 117 LYS 118 ARG 119 THR 120 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 PDB 1J6Y "Solution Structure Of Pin1at From Arabidopsis Thaliana" 100.00 139 100.00 100.00 6.95e-80 DBJ BAJ34365 "unnamed protein product [Thellungiella halophila]" 99.17 119 97.48 99.16 1.40e-77 GB AAD20122 "putative peptidyl-prolyl cis-trans isomerase [Arabidopsis thaliana]" 99.17 119 100.00 100.00 2.87e-79 GB AAK26028 "putative peptidyl-prolyl cis-trans isomerase [Arabidopsis thaliana]" 99.17 119 100.00 100.00 2.87e-79 GB AAL07163 "putative peptidyl-prolyl cis-trans isomerase [Arabidopsis thaliana]" 99.17 119 100.00 100.00 2.87e-79 GB AAL09755 "At2g18040/T27K22.9 [Arabidopsis thaliana]" 99.17 119 100.00 100.00 2.87e-79 GB AAM61615 "putative peptidyl-prolyl cis-trans isomerase [Arabidopsis thaliana]" 99.17 119 100.00 100.00 2.87e-79 REF NP_179395 "peptidyl-prolyl cis-trans isomerase Pin1 [Arabidopsis thaliana]" 99.17 119 100.00 100.00 2.87e-79 REF XP_002884105 "PIN1AT [Arabidopsis lyrata subsp. lyrata]" 99.17 119 99.16 99.16 1.90e-78 REF XP_006409205 "hypothetical protein EUTSA_v10022913mg [Eutrema salsugineum]" 99.17 119 97.48 99.16 1.40e-77 SP Q9SL42 "RecName: Full=Peptidyl-prolyl cis-trans isomerase Pin1; Short=PPIase Pin1; AltName: Full=PIN1At; AltName: Full=Rotamase Pin1" 99.17 119 100.00 100.00 2.87e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PIN1At 'Arabidopsis thaliana' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $PIN1At '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PIN1At . mM 0.5 0.9 '[U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PIN1At . mM 0.5 0.9 '[U-98% 13C]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PIN1At . mM 0.5 0.9 '[U-98% 15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_Cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.1 pH temperature 293 0.2 K 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 DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . $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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PIN1At _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 . 1 HIS HA H 3.96 . . 2 . 1 HIS HB2 H 3.28 . . 3 . 1 HIS HB3 H 2.37 . . 4 . 1 HIS C C 175.8 . . 5 . 1 HIS CA C 55.70 . . 6 . 1 HIS CB C 25.40 . . 7 . 2 MET H H 8.66 . . 8 . 2 MET HA H 4.49 . . 9 . 2 MET HB2 H 2.52 . . 10 . 2 MET HB3 H 2.05 . . 11 . 2 MET HG2 H 2.21 . . 12 . 2 MET HG3 H 2.30 . . 13 . 2 MET HE H 1.40 . . 14 . 2 MET C C 176.0 . . 15 . 2 MET CA C 55.64 . . 16 . 2 MET CB C 32.88 . . 17 . 2 MET N N 121.6 . . 18 . 3 ALA H H 8.60 . . 19 . 3 ALA HA H 4.34 . . 20 . 3 ALA HB H 1.42 . . 21 . 3 ALA C C 178.7 . . 22 . 3 ALA CA C 52.56 . . 23 . 3 ALA CB C 19.19 . . 24 . 3 ALA N N 125.5 . . 25 . 4 SER HA H 4.42 . . 26 . 4 SER HB2 H 3.85 . . 27 . 4 SER C C 174.2 . . 28 . 4 SER CA C 58.51 . . 29 . 4 SER CB C 63.80 . . 30 . 4 SER N N 114.8 . . 31 . 5 ARG H H 8.50 . . 32 . 5 ARG HA H 4.40 . . 33 . 5 ARG HB2 H 1.97 . . 34 . 5 ARG HB3 H 1.82 . . 35 . 5 ARG HG2 H 1.62 . . 36 . 5 ARG HG3 H 1.42 . . 37 . 5 ARG HD2 H 3.20 . . 38 . 5 ARG C C 175.9 . . 39 . 5 ARG CA C 56.28 . . 40 . 5 ARG CB C 30.87 . . 41 . 5 ARG CG C 27.11 . . 42 . 5 ARG CD C 43.4 . . 43 . 5 ARG N N 122.0 . . 44 . 6 ASP H H 8.46 . . 45 . 6 ASP HA H 4.67 . . 46 . 6 ASP HB2 H 2.87 . . 47 . 6 ASP HB3 H 2.68 . . 48 . 6 ASP C C 175.6 . . 49 . 6 ASP CA C 54.61 . . 50 . 6 ASP CB C 40.85 . . 51 . 6 ASP N N 119.9 . . 52 . 7 GLN H H 8.13 . . 53 . 7 GLN HA H 4.63 . . 54 . 7 GLN HB2 H 1.91 . . 55 . 7 GLN HB3 H 1.83 . . 56 . 7 GLN HG2 H 2.33 . . 57 . 7 GLN HG3 H 2.07 . . 58 . 7 GLN C C 174.9 . . 59 . 7 GLN CA C 55.71 . . 60 . 7 GLN CB C 31.36 . . 61 . 7 GLN CG C 34.25 . . 62 . 7 GLN N N 119.7 . . 63 . 8 VAL H H 8.47 . . 64 . 8 VAL HA H 4.26 . . 65 . 8 VAL HB H 1.47 . . 66 . 8 VAL HG1 H 0.05 . . 67 . 8 VAL C C 170.5 . . 68 . 8 VAL CA C 59.24 . . 69 . 8 VAL CB C 35.11 . . 70 . 8 VAL CG1 C 20.6 . . 71 . 8 VAL CG2 C 17.65 . . 72 . 8 VAL N N 115.6 . . 73 . 9 LYS H H 7.66 . . 74 . 9 LYS HA H 4.75 . . 75 . 9 LYS HB2 H 1.60 . . 76 . 9 LYS HB3 H 1.58 . . 77 . 9 LYS HG2 H 1.35 . . 78 . 9 LYS HG3 H 1.10 . . 79 . 9 LYS HD2 H 1.30 . . 80 . 9 LYS HD3 H 1.46 . . 81 . 9 LYS HE2 H 2.85 . . 82 . 9 LYS C C 174.5 . . 83 . 9 LYS CA C 55.51 . . 84 . 9 LYS CB C 37.16 . . 85 . 9 LYS CG C 24.91 . . 86 . 9 LYS CD C 29.8 . . 87 . 9 LYS CE C 41.67 . . 88 . 9 LYS N N 118.5 . . 89 . 10 ALA H H 7.41 . . 90 . 10 ALA HA H 5.39 . . 91 . 10 ALA HB H 1.52 . . 92 . 10 ALA C C 174.6 . . 93 . 10 ALA CA C 51.20 . . 94 . 10 ALA CB C 23.80 . . 95 . 10 ALA N N 121.7 . . 96 . 11 SER H H 9.03 . . 97 . 11 SER HA H 5.96 . . 98 . 11 SER HB2 H 3.94 . . 99 . 11 SER HB3 H 3.25 . . 100 . 11 SER C C 171.4 . . 101 . 11 SER CA C 55.77 . . 102 . 11 SER CB C 66.64 . . 103 . 11 SER N N 113.7 . . 104 . 12 HIS H H 9.75 . . 105 . 12 HIS HA H 6.22 . . 106 . 12 HIS HB2 H 3.72 . . 107 . 12 HIS HB3 H 3.39 . . 108 . 12 HIS HD2 H 6.98 . . 109 . 12 HIS HE1 H 8.00 . . 110 . 12 HIS C C 171.4 . . 111 . 12 HIS CA C 54.75 . . 112 . 12 HIS CB C 37.35 . . 113 . 12 HIS N N 119.5 . . 114 . 13 ILE H H 8.65 . . 115 . 13 ILE HA H 3.50 . . 116 . 13 ILE HB H 1.30 . . 117 . 13 ILE HG12 H 0.77 . . 118 . 13 ILE HG13 H 0.28 . . 119 . 13 ILE HG2 H 0.49 . . 120 . 13 ILE C C 170.0 . . 121 . 13 ILE CA C 62.16 . . 122 . 13 ILE CB C 41.36 . . 123 . 13 ILE CG1 C 22.18 . . 124 . 13 ILE CG2 C 17.54 . . 125 . 13 ILE CD1 C 12.99 . . 126 . 13 ILE N N 120.3 . . 127 . 14 LEU H H 7.72 . . 128 . 14 LEU HA H 4.86 . . 129 . 14 LEU HB2 H 1.38 . . 130 . 14 LEU HB3 H 1.00 . . 131 . 14 LEU HG H 0.90 . . 132 . 14 LEU HD1 H 0.70 . . 133 . 14 LEU C C 173.9 . . 134 . 14 LEU CA C 52.05 . . 135 . 14 LEU CB C 45.68 . . 136 . 14 LEU CG C 27.85 . . 137 . 14 LEU CD1 C 26.50 . . 138 . 14 LEU CD2 C 20.50 . . 139 . 14 LEU N N 127.3 . . 140 . 15 ILE H H 9.18 . . 141 . 15 ILE HA H 4.67 . . 142 . 15 ILE HB H 1.68 . . 143 . 15 ILE HG12 H 0.95 . . 144 . 15 ILE HG13 H 0.78 . . 145 . 15 ILE HG2 H 1.02 . . 146 . 15 ILE HD1 H 0.65 . . 147 . 15 ILE C C 176.0 . . 148 . 15 ILE CA C 60.74 . . 149 . 15 ILE CB C 39.00 . . 150 . 15 ILE CG1 C 23.50 . . 151 . 15 ILE CG2 C 16.99 . . 152 . 15 ILE CD1 C 12.04 . . 153 . 15 ILE N N 125.8 . . 154 . 16 LYS H H 9.09 . . 155 . 16 LYS HA H 4.21 . . 156 . 16 LYS HB2 H 1.76 . . 157 . 16 LYS HB3 H 1.67 . . 158 . 16 LYS HG2 H 1.38 . . 159 . 16 LYS HG3 H 1.02 . . 160 . 16 LYS HD2 H 1.58 . . 161 . 16 LYS HD3 H 1.37 . . 162 . 16 LYS C C 172.6 . . 163 . 16 LYS CA C 57.30 . . 164 . 16 LYS CB C 32.46 . . 165 . 16 LYS N N 125.4 . . 166 . 17 HIS H H 8.14 . . 167 . 17 HIS HA H 4.92 . . 168 . 17 HIS HB2 H 3.18 . . 169 . 17 HIS HB3 H 2.65 . . 170 . 17 HIS HD2 H 6.70 . . 171 . 17 HIS HE1 H 7.75 . . 172 . 17 HIS C C 176.1 . . 173 . 17 HIS CA C 54.41 . . 174 . 17 HIS CB C 33.48 . . 175 . 17 HIS N N 113.5 . . 176 . 18 GLN H H 9.08 . . 177 . 18 GLN HA H 3.92 . . 178 . 18 GLN HB2 H 2.30 . . 179 . 18 GLN HB3 H 2.10 . . 180 . 18 GLN HG2 H 2.60 . . 181 . 18 GLN HG3 H 2.45 . . 182 . 18 GLN C C 176.1 . . 183 . 18 GLN CA C 58.81 . . 184 . 18 GLN CB C 28.33 . . 185 . 18 GLN CG C 33.40 . . 186 . 18 GLN N N 116.4 . . 187 . 19 GLY H H 10.56 . . 188 . 19 GLY HA2 H 4.50 . . 189 . 19 GLY HA3 H 3.86 . . 190 . 19 GLY C C 174.7 . . 191 . 19 GLY CA C 44.61 . . 192 . 19 GLY N N 111.2 . . 193 . 20 SER HA H 3.64 . . 194 . 20 SER CA C 61.80 . . 195 . 24 ALA HA H 4.38 . . 196 . 24 ALA HB H 1.27 . . 197 . 24 ALA CA C 52.25 . . 198 . 24 ALA CB C 22.00 . . 199 . 25 SER HA H 4.96 . . 200 . 25 SER HB2 H 4.65 . . 201 . 25 SER HB3 H 3.60 . . 202 . 25 SER CA C 57.00 . . 203 . 26 TRP HB2 H 3.55 . . 204 . 26 TRP HB3 H 3.26 . . 205 . 26 TRP HD1 H 7.45 . . 206 . 26 TRP HE1 H 10.32 . . 207 . 26 TRP HE3 H 7.27 . . 208 . 26 TRP HZ2 H 7.15 . . 209 . 26 TRP CB C 27.25 . . 210 . 28 ASP HA H 4.96 . . 211 . 28 ASP HB2 H 2.20 . . 212 . 28 ASP HB3 H 2.10 . . 213 . 28 ASP CA C 52.17 . . 214 . 29 PRO HA H 4.54 . . 215 . 29 PRO HB2 H 2.38 . . 216 . 29 PRO HB3 H 2.10 . . 217 . 29 PRO HG2 H 2.04 . . 218 . 29 PRO HD2 H 3.78 . . 219 . 29 PRO HD3 H 3.38 . . 220 . 29 PRO C C 178.8 . . 221 . 29 PRO CA C 65.86 . . 222 . 29 PRO CB C 32.36 . . 223 . 29 PRO CG C 27.60 . . 224 . 29 PRO CD C 50.65 . . 225 . 30 GLU H H 9.00 . . 226 . 30 GLU HA H 4.50 . . 227 . 30 GLU HB2 H 2.31 . . 228 . 30 GLU HB3 H 1.95 . . 229 . 30 GLU HG2 H 2.25 . . 230 . 30 GLU HG3 H 2.05 . . 231 . 30 GLU C C 177.8 . . 232 . 30 GLU CA C 55.41 . . 233 . 30 GLU CB C 30.22 . . 234 . 30 GLU CG C 36.75 . . 235 . 30 GLU N N 114.9 . . 236 . 31 GLY H H 7.99 . . 237 . 31 GLY HA2 H 4.04 . . 238 . 31 GLY HA3 H 3.75 . . 239 . 31 GLY C C 173.2 . . 240 . 31 GLY CA C 47.76 . . 241 . 31 GLY N N 109.7 . . 242 . 36 THR HA H 4.54 . . 243 . 36 THR HB H 4.52 . . 244 . 36 THR HG2 H 1.22 . . 245 . 36 THR CA C 60.77 . . 246 . 36 THR CB C 69.62 . . 247 . 36 THR CG2 C 21.76 . . 248 . 37 THR H H 7.80 . . 249 . 37 THR HA H 4.39 . . 250 . 37 THR HB H 4.44 . . 251 . 37 THR HG2 H 1.35 . . 252 . 37 THR C C 172.2 . . 253 . 37 THR CA C 62.41 . . 254 . 37 THR CB C 70.17 . . 255 . 37 THR CG2 C 20.58 . . 256 . 37 THR N N 121.0 . . 257 . 38 THR H H 8.57 . . 258 . 38 THR HA H 4.32 . . 259 . 38 THR HB H 4.69 . . 260 . 38 THR HG2 H 1.380 . . 261 . 38 THR C C 174.8 . . 262 . 38 THR CA C 60.84 . . 263 . 38 THR CB C 70.70 . . 264 . 38 THR CG2 C 21.29 . . 265 . 38 THR N N 119.1 . . 266 . 39 ARG H H 9.08 . . 267 . 39 ARG HA H 3.21 . . 268 . 39 ARG HB2 H 1.24 . . 269 . 39 ARG HB3 H 1.35 . . 270 . 39 ARG HG2 H 1.00 . . 271 . 39 ARG HG3 H 0.95 . . 272 . 39 ARG HD2 H 2.87 . . 273 . 39 ARG HD3 H 2.65 . . 274 . 39 ARG C C 178.5 . . 275 . 39 ARG CA C 60.71 . . 276 . 39 ARG CB C 28.21 . . 277 . 39 ARG CD C 42.71 . . 278 . 39 ARG N N 121.9 . . 279 . 40 GLU H H 8.53 . . 280 . 40 GLU HA H 3.75 . . 281 . 40 GLU HB2 H 2.05 . . 282 . 40 GLU HB3 H 1.94 . . 283 . 40 GLU HG2 H 2.42 . . 284 . 40 GLU HG3 H 2.22 . . 285 . 40 GLU C C 179.9 . . 286 . 40 GLU CA C 60.74 . . 287 . 40 GLU CB C 28.82 . . 288 . 40 GLU CG C 37.4 . . 289 . 40 GLU N N 115.5 . . 290 . 41 ALA H H 8.14 . . 291 . 41 ALA HA H 4.15 . . 292 . 41 ALA HB H 1.55 . . 293 . 41 ALA C C 183.3 . . 294 . 41 ALA CA C 54.98 . . 295 . 41 ALA CB C 18.57 . . 296 . 41 ALA N N 123.0 . . 297 . 42 ALA H H 8.09 . . 298 . 42 ALA HA H 4.04 . . 299 . 42 ALA HB H 1.38 . . 300 . 42 ALA C C 180.6 . . 301 . 42 ALA CA C 55.24 . . 302 . 42 ALA CB C 18.53 . . 303 . 42 ALA N N 123.0 . . 304 . 43 VAL H H 8.70 . . 305 . 43 VAL HA H 3.41 . . 306 . 43 VAL HB H 2.19 . . 307 . 43 VAL HG1 H 1.05 . . 308 . 43 VAL HG2 H 0.94 . . 309 . 43 VAL C C 178.4 . . 310 . 43 VAL CA C 67.45 . . 311 . 43 VAL CB C 31.65 . . 312 . 43 VAL CG1 C 24.2 . . 313 . 43 VAL CG2 C 21.5 . . 314 . 43 VAL N N 117.5 . . 315 . 44 GLU H H 8.03 . . 316 . 44 GLU HA H 3.93 . . 317 . 44 GLU HB2 H 2.12 . . 318 . 44 GLU HB3 H 2.04 . . 319 . 44 GLU HG2 H 2.38 . . 320 . 44 GLU HG3 H 2.32 . . 321 . 44 GLU C C 181.7 . . 322 . 44 GLU CA C 59.68 . . 323 . 44 GLU CB C 29.18 . . 324 . 44 GLU CG C 36.10 . . 325 . 44 GLU N N 118.5 . . 326 . 45 GLN H H 7.97 . . 327 . 45 GLN HA H 4.07 . . 328 . 45 GLN HB2 H 2.17 . . 329 . 45 GLN HB3 H 2.08 . . 330 . 45 GLN HG2 H 2.50 . . 331 . 45 GLN HG3 H 2.47 . . 332 . 45 GLN C C 180.6 . . 333 . 45 GLN CA C 58.98 . . 334 . 45 GLN CB C 28.42 . . 335 . 45 GLN CG C 33.80 . . 336 . 45 GLN N N 118.7 . . 337 . 46 LEU H H 8.51 . . 338 . 46 LEU HA H 4.07 . . 339 . 46 LEU HB2 H 1.69 . . 340 . 46 LEU HB3 H 1.60 . . 341 . 46 LEU HG H 0.78 . . 342 . 46 LEU HD1 H 0.95 . . 343 . 46 LEU HD2 H 0.85 . . 344 . 46 LEU C C 179.7 . . 345 . 46 LEU CA C 57.08 . . 346 . 46 LEU CB C 42.12 . . 347 . 46 LEU CG C 24.33 . . 348 . 46 LEU N N 120.1 . . 349 . 47 LYS H H 9.13 . . 350 . 47 LYS HA H 3.89 . . 351 . 47 LYS HB2 H 1.92 . . 352 . 47 LYS HG2 H 1.65 . . 353 . 47 LYS HG3 H 1.40 . . 354 . 47 LYS HE2 H 3.22 . . 355 . 47 LYS HE3 H 3.15 . . 356 . 47 LYS C C 181.5 . . 357 . 47 LYS CA C 60.49 . . 358 . 47 LYS CB C 32.57 . . 359 . 47 LYS CG C 26.35 . . 360 . 47 LYS CD C 29.85 . . 361 . 47 LYS N N 120.0 . . 362 . 48 SER H H 7.44 . . 363 . 48 SER HA H 4.26 . . 364 . 48 SER HB2 H 4.02 . . 365 . 48 SER C C 176.4 . . 366 . 48 SER CA C 61.59 . . 367 . 48 SER CB C 62.77 . . 368 . 48 SER N N 114.6 . . 369 . 49 ILE H H 7.81 . . 370 . 49 ILE HA H 3.77 . . 371 . 49 ILE HB H 1.89 . . 372 . 49 ILE HG12 H 1.10 . . 373 . 49 ILE HG2 H 0.76 . . 374 . 49 ILE HD1 H 0.54 . . 375 . 49 ILE C C 178.2 . . 376 . 49 ILE CA C 64.97 . . 377 . 49 ILE CB C 38.70 . . 378 . 49 ILE CG2 C 18.77 . . 379 . 49 ILE CD1 C 16.05 . . 380 . 49 ILE N N 121.6 . . 381 . 50 ARG H H 8.96 . . 382 . 50 ARG HA H 3.59 . . 383 . 50 ARG HB2 H 1.90 . . 384 . 50 ARG HB3 H 1.85 . . 385 . 50 ARG HG2 H 2.05 . . 386 . 50 ARG HG3 H 1.97 . . 387 . 50 ARG C C 178.8 . . 388 . 50 ARG CA C 60.86 . . 389 . 50 ARG CB C 29.50 . . 390 . 50 ARG N N 119.2 . . 391 . 51 GLU H H 7.79 . . 392 . 51 GLU HA H 4.13 . . 393 . 51 GLU HB2 H 2.20 . . 394 . 51 GLU HB3 H 2.12 . . 395 . 51 GLU HG2 H 2.42 . . 396 . 51 GLU C C 181.5 . . 397 . 51 GLU CA C 59.05 . . 398 . 51 GLU CB C 29.03 . . 399 . 51 GLU CG C 35.9 . . 400 . 51 GLU N N 116.4 . . 401 . 52 ASP H H 8.03 . . 402 . 52 ASP HA H 4.33 . . 403 . 52 ASP HB2 H 2.97 . . 404 . 52 ASP HB3 H 2.33 . . 405 . 52 ASP C C 179.0 . . 406 . 52 ASP CA C 57.45 . . 407 . 52 ASP CB C 39.91 . . 408 . 52 ASP N N 121.2 . . 409 . 53 ILE H H 8.35 . . 410 . 53 ILE HA H 4.27 . . 411 . 53 ILE HB H 1.85 . . 412 . 53 ILE HG12 H 1.10 . . 413 . 53 ILE HG13 H 0.75 . . 414 . 53 ILE HG2 H 0.97 . . 415 . 53 ILE HD1 H 0.57 . . 416 . 53 ILE C C 178.2 . . 417 . 53 ILE CA C 64.39 . . 418 . 53 ILE CB C 39.00 . . 419 . 53 ILE CG1 C 18.69 . . 420 . 53 ILE CD1 C 15.95 . . 421 . 53 ILE N N 120.2 . . 422 . 54 VAL H H 9.10 . . 423 . 54 VAL HA H 3.96 . . 424 . 54 VAL HB H 2.32 . . 425 . 54 VAL HG1 H 1.15 . . 426 . 54 VAL HG2 H 1.07 . . 427 . 54 VAL C C 179.5 . . 428 . 54 VAL CA C 66.21 . . 429 . 54 VAL CB C 31.55 . . 430 . 54 VAL CG1 C 24.3 . . 431 . 54 VAL CG2 C 21.35 . . 432 . 54 VAL N N 119.2 . . 433 . 55 SER H H 8.09 . . 434 . 55 SER HA H 4.53 . . 435 . 55 SER HB2 H 4.14 . . 436 . 55 SER HB3 H 4.08 . . 437 . 55 SER C C 175.1 . . 438 . 55 SER CA C 59.38 . . 439 . 55 SER CB C 64.15 . . 440 . 55 SER N N 112.2 . . 441 . 56 GLY H H 7.92 . . 442 . 56 GLY HA2 H 4.32 . . 443 . 56 GLY HA3 H 3.94 . . 444 . 56 GLY C C 173.4 . . 445 . 56 GLY CA C 45.58 . . 446 . 56 GLY N N 109.6 . . 447 . 57 LYS H H 8.30 . . 448 . 57 LYS HA H 4.17 . . 449 . 57 LYS HB2 H 1.86 . . 450 . 57 LYS HB3 H 1.73 . . 451 . 57 LYS HG2 H 1.4 . . 452 . 57 LYS HD2 H 1.55 . . 453 . 57 LYS HD3 H 1.47 . . 454 . 57 LYS C C 175.2 . . 455 . 57 LYS CA C 57.72 . . 456 . 57 LYS CB C 33.07 . . 457 . 57 LYS N N 120.4 . . 458 . 58 ALA H H 7.54 . . 459 . 58 ALA HA H 4.53 . . 460 . 58 ALA HB H 1.12 . . 461 . 58 ALA C C 173.2 . . 462 . 58 ALA CA C 50.07 . . 463 . 58 ALA CB C 22.73 . . 464 . 58 ALA N N 119.3 . . 465 . 59 ASN H H 8.91 . . 466 . 59 ASN HA H 4.96 . . 467 . 59 ASN HB2 H 2.85 . . 468 . 59 ASN HB3 H 2.71 . . 469 . 59 ASN C C 173.4 . . 470 . 59 ASN CA C 52.17 . . 471 . 59 ASN CB C 41.54 . . 472 . 59 ASN N N 119.6 . . 473 . 60 PHE H H 9.41 . . 474 . 60 PHE HA H 3.56 . . 475 . 60 PHE HB2 H 3.19 . . 476 . 60 PHE HB3 H 3.10 . . 477 . 60 PHE HD1 H 6.85 . . 478 . 60 PHE HE1 H 7.60 . . 479 . 60 PHE HZ H 7.10 . . 480 . 60 PHE C C 175.0 . . 481 . 60 PHE CA C 62.37 . . 482 . 60 PHE CB C 39.74 . . 483 . 60 PHE N N 126.5 . . 484 . 61 GLU H H 8.63 . . 485 . 61 GLU HA H 4.32 . . 486 . 61 GLU HB2 H 2.50 . . 487 . 61 GLU HB3 H 2.12 . . 488 . 61 GLU HG2 H 2.77 . . 489 . 61 GLU HG3 H 2.73 . . 490 . 61 GLU C C 180.3 . . 491 . 61 GLU CA C 60.99 . . 492 . 61 GLU CB C 28.58 . . 493 . 61 GLU CG C 37.85 . . 494 . 61 GLU N N 116.9 . . 495 . 62 GLU H H 8.36 . . 496 . 62 GLU HA H 4.08 . . 497 . 62 GLU HB2 H 1.65 . . 498 . 62 GLU HB3 H 1.60 . . 499 . 62 GLU HG2 H 1.90 . . 500 . 62 GLU HG3 H 1.85 . . 501 . 62 GLU C C 181.5 . . 502 . 62 GLU CA C 59.98 . . 503 . 62 GLU CB C 29.75 . . 504 . 62 GLU CG C 36.25 . . 505 . 62 GLU N N 121.6 . . 506 . 63 VAL H H 8.25 . . 507 . 63 VAL HA H 3.56 . . 508 . 63 VAL HB H 1.85 . . 509 . 63 VAL HG1 H 0.95 . . 510 . 63 VAL HG2 H 0.78 . . 511 . 63 VAL C C 179.9 . . 512 . 63 VAL CA C 66.24 . . 513 . 63 VAL CB C 31.50 . . 514 . 63 VAL CG1 C 23.43 . . 515 . 63 VAL CG2 C 22.74 . . 516 . 63 VAL N N 119.1 . . 517 . 64 ALA H H 8.76 . . 518 . 64 ALA HA H 3.66 . . 519 . 64 ALA HB H 1.27 . . 520 . 64 ALA C C 180.3 . . 521 . 64 ALA CA C 56.46 . . 522 . 64 ALA CB C 17.68 . . 523 . 64 ALA N N 122.1 . . 524 . 65 THR H H 7.61 . . 525 . 65 THR HA H 4.35 . . 526 . 65 THR HB H 4.26 . . 527 . 65 THR HG2 H 1.42 . . 528 . 65 THR C C 174.5 . . 529 . 65 THR CA C 65.11 . . 530 . 65 THR CB C 70.16 . . 531 . 65 THR N N 106.6 . . 532 . 66 ARG H H 7.23 . . 533 . 66 ARG HA H 4.58 . . 534 . 66 ARG HB2 H 1.91 . . 535 . 66 ARG HG2 H 1.77 . . 536 . 66 ARG HG3 H 1.67 . . 537 . 66 ARG HD2 H 3.16 . . 538 . 66 ARG HD3 H 3.04 . . 539 . 66 ARG C C 178.6 . . 540 . 66 ARG CA C 57.65 . . 541 . 66 ARG CB C 32.97 . . 542 . 66 ARG CG C 28.1 . . 543 . 66 ARG CD C 43.05 . . 544 . 66 ARG N N 116.6 . . 545 . 67 VAL H H 8.59 . . 546 . 67 VAL HA H 4.12 . . 547 . 67 VAL HB H 1.88 . . 548 . 67 VAL HG1 H 0.85 . . 549 . 67 VAL HG2 H 0.76 . . 550 . 67 VAL C C 175.6 . . 551 . 67 VAL CA C 62.77 . . 552 . 67 VAL CB C 34.15 . . 553 . 67 VAL CG1 C 18.0 . . 554 . 67 VAL CG2 C 20.95 . . 555 . 67 VAL N N 113.1 . . 556 . 68 SER H H 7.96 . . 557 . 68 SER HA H 4.67 . . 558 . 68 SER HB2 H 4.50 . . 559 . 68 SER HB3 H 3.80 . . 560 . 68 SER C C 175.7 . . 561 . 68 SER CA C 57.38 . . 562 . 68 SER CB C 65.35 . . 563 . 68 SER N N 111.1 . . 564 . 69 ASP H H 9.59 . 9 565 . 69 ASP HA H 4.68 . . 566 . 69 ASP HB2 H 2.77 . . 567 . 69 ASP HB3 H 2.20 . . 568 . 69 ASP C C 175.1 . . 569 . 69 ASP CA C 56.39 . . 570 . 69 ASP CB C 44.10 . . 571 . 69 ASP N N 123.5 . . 572 . 70 CYS H H 8.04 . . 573 . 70 CYS HA H 4.48 . . 574 . 70 CYS HB2 H 2.82 . . 575 . 70 CYS HB3 H 2.52 . . 576 . 70 CYS C C 176.9 . . 577 . 70 CYS CA C 59.95 . . 578 . 70 CYS CB C 29.03 . . 579 . 70 CYS N N 123.3 . . 580 . 71 SER H H 8.92 . . 581 . 71 SER HA H 4.04 . . 582 . 71 SER HB2 H 3.94 . . 583 . 71 SER HB3 H 2 . . 584 . 71 SER CA C 62.32 . . 585 . 71 SER CB C 62.93 . . 586 . 71 SER N N 126.7 . . 587 . 72 SER H H 9.76 . . 588 . 72 SER HA H 4.06 . . 589 . 72 SER HB2 H 3.88 . . 590 . 72 SER C C 177.1 . . 591 . 72 SER CA C 61.38 . . 592 . 72 SER CB C 62.93 . . 593 . 72 SER N N 122.8 . . 594 . 73 ALA H H 8.69 . . 595 . 73 ALA HA H 3.76 . . 596 . 73 ALA HB H 1.75 . . 597 . 73 ALA C C 180.5 . . 598 . 73 ALA CA C 56.69 . . 599 . 73 ALA CB C 20.15 . . 600 . 73 ALA N N 132.0 . . 601 . 74 LYS H H 6.82 . . 602 . 74 LYS HA H 3.94 . . 603 . 74 LYS HB2 H 1.82 . . 604 . 74 LYS HG2 H 1.56 . . 605 . 74 LYS HD2 H 0.98 . . 606 . 74 LYS C C 179.5 . . 607 . 74 LYS CA C 57.83 . . 608 . 74 LYS N N 111.1 . . 609 . 75 ARG H H 7.84 . . 610 . 75 ARG HA H 4.78 . . 611 . 75 ARG HB2 H 2.29 . . 612 . 75 ARG HB3 H 1.89 . . 613 . 75 ARG HG2 H 1.64 . . 614 . 75 ARG C C 178.1 . . 615 . 75 ARG CA C 54.25 . . 616 . 75 ARG CB C 29.95 . . 617 . 75 ARG CG C 27.4 . . 618 . 75 ARG CD C 43.65 . . 619 . 75 ARG N N 118.1 . . 620 . 76 GLY H H 8.10 . 2 621 . 76 GLY HA2 H 4.03 . . 622 . 76 GLY HA3 H 3.73 . . 623 . 76 GLY C C 172.6 . . 624 . 76 GLY CA C 47.34 . . 625 . 76 GLY N N 110.1 . . 626 . 77 GLY H H 8.23 . . 627 . 77 GLY HA2 H 3.82 . . 628 . 77 GLY HA3 H 3.75 . . 629 . 77 GLY C C 172.7 . . 630 . 77 GLY CA C 44.56 . . 631 . 77 GLY N N 103.7 . . 632 . 78 ASP H H 6.82 . . 633 . 78 ASP HA H 4.87 . . 634 . 78 ASP HB2 H 2.82 . . 635 . 78 ASP C C 175.5 . . 636 . 78 ASP CA C 55.75 . . 637 . 78 ASP CB C 42.17 . . 638 . 78 ASP N N 117.1 . . 639 . 79 LEU H H 9.12 . . 640 . 79 LEU HA H 4.42 . . 641 . 79 LEU HB2 H 1.98 . . 642 . 79 LEU HB3 H 1.45 . . 643 . 79 LEU HG H 1.78 . . 644 . 79 LEU HD1 H 0.70 . . 645 . 79 LEU HD2 H 0.22 . . 646 . 79 LEU C C 179.5 . . 647 . 79 LEU CA C 54.58 . . 648 . 79 LEU CB C 43.80 . . 649 . 79 LEU CG C 26.25 . . 650 . 79 LEU CD1 C 22.67 . . 651 . 79 LEU CD2 C 26.48 . . 652 . 79 LEU N N 127.3 . . 653 . 80 GLY H H 8.80 . . 654 . 80 GLY HA2 H 4.21 . . 655 . 80 GLY HA3 H 3.72 . . 656 . 80 GLY C C 169.2 . . 657 . 80 GLY CA C 44.91 . . 658 . 80 GLY N N 110.5 . . 659 . 81 SER H H 8.09 . . 660 . 81 SER HA H 5.42 . . 661 . 81 SER HB2 H 3.85 . . 662 . 81 SER HB3 H 3.65 . . 663 . 81 SER HG H 1.10 . . 664 . 81 SER C C 175.5 . . 665 . 81 SER CA C 57.47 . . 666 . 81 SER CB C 64.63 . . 667 . 81 SER N N 112.2 . . 668 . 82 PHE H H 9.07 . . 669 . 82 PHE HA H 4.88 . . 670 . 82 PHE HB2 H 3.18 . . 671 . 82 PHE HB3 H 3.00 . . 672 . 82 PHE HD1 H 7.10 . . 673 . 82 PHE HD2 H 7.20 . . 674 . 82 PHE HE1 H 7.30 . . 675 . 82 PHE C C 170.0 . . 676 . 82 PHE CA C 56.52 . . 677 . 82 PHE CB C 40.53 . . 678 . 82 PHE CD1 C 118.5 . . 679 . 82 PHE CD2 C 120.0 . . 680 . 82 PHE CE1 C 125.5 . . 681 . 82 PHE N N 120.6 . . 682 . 83 GLY H H 8.20 . . 683 . 83 GLY HA2 H 5.26 . . 684 . 83 GLY HA3 H 3.82 . . 685 . 83 GLY C C 174.7 . . 686 . 83 GLY CA C 43.16 . . 687 . 83 GLY N N 105.3 . . 688 . 84 ARG H H 8.73 . . 689 . 84 ARG HA H 4.05 . . 690 . 84 ARG HB3 H 1.80 . . 691 . 84 ARG HG2 H 1.74 . . 692 . 84 ARG HG3 H 1.42 . . 693 . 84 ARG HD2 H 2.85 . . 694 . 84 ARG HD3 H 2.70 . . 695 . 84 ARG C C 179.7 . . 696 . 84 ARG CA C 57.11 . . 697 . 84 ARG CB C 30.37 . . 698 . 84 ARG CG C 24.3 . . 699 . 84 ARG CD C 43.44 . . 700 . 84 ARG N N 119.4 . . 701 . 85 GLY H H 9.85 . . 702 . 85 GLY HA2 H 4.27 . . 703 . 85 GLY HA3 H 3.89 . . 704 . 85 GLY C C 173.0 . . 705 . 85 GLY CA C 45.73 . . 706 . 85 GLY N N 111.2 . . 707 . 86 GLN H H 7.78 . . 708 . 86 GLN HA H 4.35 . . 709 . 86 GLN HB2 H 2.20 . . 710 . 86 GLN HB3 H 2.11 . . 711 . 86 GLN HG2 H 2.34 . . 712 . 86 GLN HG3 H 2.31 . . 713 . 86 GLN C C 176.4 . . 714 . 86 GLN CA C 58.11 . . 715 . 86 GLN CB C 31.61 . . 716 . 86 GLN CG C 35.00 . . 717 . 86 GLN N N 118.5 . . 718 . 87 MET H H 9.17 . . 719 . 87 MET HA H 4.56 . . 720 . 87 MET HB2 H 1.80 . . 721 . 87 MET HB3 H 1.60 . . 722 . 87 MET HE H 1.10 . . 723 . 87 MET C C 175.5 . . 724 . 87 MET CA C 51.95 . . 725 . 87 MET CB C 32.92 . . 726 . 87 MET CE C 17.36 . . 727 . 87 MET N N 117.3 . . 728 . 88 GLN H H 8.63 . . 729 . 88 GLN HA H 4.18 . . 730 . 88 GLN HB2 H 2.27 . . 731 . 88 GLN HB3 H 1.94 . . 732 . 88 GLN HG2 H 2.62 . . 733 . 88 GLN C C 179.4 . . 734 . 88 GLN CA C 57.32 . . 735 . 88 GLN CB C 29.73 . . 736 . 88 GLN CG C 34.95 . . 737 . 88 GLN N N 118.6 . . 738 . 89 LYS H H 9.24 . . 739 . 89 LYS HA H 4.30 . . 740 . 89 LYS HB2 H 2.50 . . 741 . 89 LYS HB3 H 2.32 . . 742 . 89 LYS HG2 H 1.75 . . 743 . 89 LYS HG3 H 1.50 . . 744 . 89 LYS HD2 H 2.04 . . 745 . 89 LYS HD3 H 1.98 . . 746 . 89 LYS HE2 H 3.00 . . 747 . 89 LYS C C 173.1 . . 748 . 89 LYS CA C 61.41 . . 749 . 89 LYS CB C 29.79 . . 750 . 89 LYS CG C 24.86 . . 751 . 89 LYS CD C 29.83 . . 752 . 89 LYS N N 125.6 . . 753 . 90 PRO HA H 4.20 . . 754 . 90 PRO HB2 H 2.60 . . 755 . 90 PRO HB3 H 2.70 . . 756 . 90 PRO HG2 H 2.18 . . 757 . 90 PRO HG3 H 2.00 . . 758 . 90 PRO HD2 H 3.91 . . 759 . 90 PRO HD3 H 3.62 . . 760 . 90 PRO C C 182.0 . . 761 . 90 PRO CA C 65.70 . . 762 . 90 PRO CB C 31.80 . . 763 . 90 PRO CG C 29.09 . . 764 . 90 PRO CD C 50.22 . . 765 . 91 PHE H H 7.09 . . 766 . 91 PHE HA H 3.65 . . 767 . 91 PHE HB2 H 3.43 . . 768 . 91 PHE HB3 H 2.36 . . 769 . 91 PHE HD1 H 6.18 . . 770 . 91 PHE HE1 H 6.60 . . 771 . 91 PHE HZ H 7.05 . . 772 . 91 PHE C C 179.1 . . 773 . 91 PHE CA C 60.32 . . 774 . 91 PHE CB C 40.59 . . 775 . 91 PHE N N 116.7 . . 776 . 92 GLU H H 8.63 . . 777 . 92 GLU HA H 3.97 . . 778 . 92 GLU HB2 H 2.05 . . 779 . 92 GLU HG2 H 2.52 . . 780 . 92 GLU HG3 H 2.35 . . 781 . 92 GLU C C 178.6 . . 782 . 92 GLU CA C 61.01 . . 783 . 92 GLU CB C 31.22 . . 784 . 92 GLU CG C 37.9 . . 785 . 92 GLU N N 122.2 . . 786 . 93 GLU H H 9.08 . . 787 . 93 GLU HA H 4.01 . . 788 . 93 GLU HB2 H 2.04 . . 789 . 93 GLU HG2 H 2.52 . . 790 . 93 GLU HG3 H 2.30 . . 791 . 93 GLU C C 181.3 . . 792 . 93 GLU CA C 59.66 . . 793 . 93 GLU CB C 29.51 . . 794 . 93 GLU CG C 36.78 . . 795 . 93 GLU N N 116.4 . . 796 . 94 ALA H H 7.39 . . 797 . 94 ALA HA H 4.18 . . 798 . 94 ALA HB H 1.37 . . 799 . 94 ALA C C 181.4 . . 800 . 94 ALA CA C 54.50 . . 801 . 94 ALA CB C 19.60 . . 802 . 94 ALA N N 117.8 . . 803 . 95 THR H H 7.76 . . 804 . 95 THR HA H 3.65 . . 805 . 95 THR HB H 4.22 . . 806 . 95 THR HG2 H 0.94 . . 807 . 95 THR CA C 68.18 . . 808 . 95 THR CB C 68.25 . . 809 . 95 THR N N 112.7 . . 810 . 96 TYR H H 8.30 . . 811 . 96 TYR HA H 3.87 . . 812 . 96 TYR HB2 H 2.99 . . 813 . 96 TYR HB3 H 2.84 . . 814 . 96 TYR HD1 H 7.32 . . 815 . 96 TYR HE1 H 6.52 . . 816 . 96 TYR C C 176.6 . . 817 . 96 TYR CA C 62.46 . . 818 . 96 TYR CB C 38.09 . . 819 . 96 TYR N N 116.8 . . 820 . 97 ALA H H 7.04 . . 821 . 97 ALA HA H 4.36 . . 822 . 97 ALA HB H 1.50 . . 823 . 97 ALA C C 178.6 . . 824 . 97 ALA CA C 52.59 . . 825 . 97 ALA CB C 19.35 . . 826 . 97 ALA N N 117.6 . . 827 . 98 LEU H H 7.20 . . 828 . 98 LEU HA H 4.42 . . 829 . 98 LEU HB2 H 1.95 . . 830 . 98 LEU HB3 H 1.70 . . 831 . 98 LEU HG H 1.75 . . 832 . 98 LEU HD1 H 0.90 . . 833 . 98 LEU HD2 H 0.74 . . 834 . 98 LEU C C 178.9 . . 835 . 98 LEU CA C 54.51 . . 836 . 98 LEU CB C 43.00 . . 837 . 98 LEU CG C 25.8 . . 838 . 98 LEU N N 119.3 . . 839 . 99 LYS H H 8.35 . . 840 . 99 LYS HA H 4.40 . . 841 . 99 LYS HB2 H 1.87 . . 842 . 99 LYS HB3 H 1.76 . . 843 . 99 LYS HG2 H 1.62 . . 844 . 99 LYS HG3 H 1.52 . . 845 . 99 LYS HD2 H 3.00 . . 846 . 99 LYS C C 178.2 . . 847 . 99 LYS CA C 55.17 . . 848 . 99 LYS CB C 32.24 . . 849 . 99 LYS N N 120.2 . . 850 . 100 VAL H H 8.51 . . 851 . 100 VAL HA H 3.05 . . 852 . 100 VAL HB H 1.78 . . 853 . 100 VAL HG1 H 0.77 . . 854 . 100 VAL HG2 H 0.70 . . 855 . 100 VAL C C 177.9 . . 856 . 100 VAL CA C 66.73 . . 857 . 100 VAL CB C 30.52 . . 858 . 100 VAL CG1 C 22.74 . . 859 . 100 VAL CG2 C 21.05 . . 860 . 100 VAL N N 121.4 . . 861 . 101 GLY H H 9.17 . . 862 . 101 GLY HA2 H 4.44 . . 863 . 101 GLY HA3 H 3.52 . . 864 . 101 GLY C C 172.3 . . 865 . 101 GLY CA C 44.82 . . 866 . 101 GLY N N 125.8 . . 867 . 102 ASP H H 8.09 . . 868 . 102 ASP HA H 4.79 . . 869 . 102 ASP HB2 H 3.02 . . 870 . 102 ASP HB3 H 2.68 . . 871 . 102 ASP C C 173.0 . . 872 . 102 ASP CA C 53.95 . . 873 . 102 ASP CB C 43.00 . . 874 . 102 ASP N N 120.8 . . 875 . 103 ILE H H 8.23 . . 876 . 103 ILE HA H 5.24 . . 877 . 103 ILE HB H 1.62 . . 878 . 103 ILE HG12 H 0.95 . . 879 . 103 ILE HG13 H 0.85 . . 880 . 103 ILE HG2 H 1.20 . . 881 . 103 ILE HD1 H 1.05 . . 882 . 103 ILE C C 179.3 . . 883 . 103 ILE CA C 58.81 . . 884 . 103 ILE CB C 39.71 . . 885 . 103 ILE CG1 C 28.40 . . 886 . 103 ILE CG2 C 18.15 . . 887 . 103 ILE CD1 C 14.02 . . 888 . 103 ILE N N 115.9 . . 889 . 104 SER H H 10.02 . . 890 . 104 SER HA H 4.33 . . 891 . 104 SER HB2 H 4.44 . . 892 . 104 SER HB3 H 3.87 . . 893 . 104 SER C C 173.5 . . 894 . 104 SER CA C 59.84 . . 895 . 104 SER CB C 65.08 . . 896 . 104 SER N N 125.6 . . 897 . 105 ASP H H 8.31 . . 898 . 105 ASP HA H 4.75 . . 899 . 105 ASP HB2 H 2.90 . . 900 . 105 ASP HB3 H 2.63 . . 901 . 105 ASP C C 174.6 . . 902 . 105 ASP CA C 53.43 . . 903 . 105 ASP CB C 41.73 . . 904 . 105 ASP N N 117.8 . . 905 . 106 ILE H H 8.98 . . 906 . 106 ILE HA H 4.26 . . 907 . 106 ILE HB H 1.96 . . 908 . 106 ILE HG12 H 1.50 . . 909 . 106 ILE HG13 H 0.92 . . 910 . 106 ILE HG2 H 0.77 . . 911 . 106 ILE HD1 H 1.02 . . 912 . 106 ILE C C 177.4 . . 913 . 106 ILE CA C 62.24 . . 914 . 106 ILE CB C 36.47 . . 915 . 106 ILE CG1 C 28.90 . . 916 . 106 ILE N N 119.4 . . 917 . 107 VAL H H 9.29 . . 918 . 107 VAL HA H 4.38 . . 919 . 107 VAL HB H 1.73 . . 920 . 107 VAL HG1 H 0.87 . . 921 . 107 VAL HG2 H 0.70 . . 922 . 107 VAL C C 174.1 . . 923 . 107 VAL CA C 61.08 . . 924 . 107 VAL CB C 36.12 . . 925 . 107 VAL CG1 C 21.11 . . 926 . 107 VAL CG2 C 21.05 . . 927 . 107 VAL N N 130.2 . . 928 . 108 ASP H H 8.80 . . 929 . 108 ASP HA H 5.48 . . 930 . 108 ASP HB2 H 2.63 . . 931 . 108 ASP HB3 H 2.51 . . 932 . 108 ASP C C 176.2 . . 933 . 108 ASP CA C 54.29 . . 934 . 108 ASP CB C 44.21 . . 935 . 108 ASP N N 126.3 . . 936 . 109 THR H H 9.01 . . 937 . 109 THR HA H 4.84 . . 938 . 109 THR HB H 4.78 . . 939 . 109 THR HG2 H 1.2 . . 940 . 109 THR C C 175.3 . . 941 . 109 THR CA C 61.21 . . 942 . 109 THR N N 110.0 . . 943 . 110 ASP H H 9.07 . . 944 . 110 ASP HA H 4.62 . . 945 . 110 ASP HB2 H 2.90 . . 946 . 110 ASP HB3 H 2.80 . . 947 . 110 ASP C C 179.0 . . 948 . 110 ASP CA C 56.09 . . 949 . 110 ASP CB C 40.27 . . 950 . 110 ASP N N 117.8 . . 951 . 111 SER H H 8.98 . . 952 . 111 SER HA H 4.86 . . 953 . 111 SER HB2 H 3.91 . . 954 . 111 SER C C 174.6 . . 955 . 111 SER CA C 60.36 . . 956 . 111 SER CB C 64.00 . . 957 . 111 SER N N 113.8 . . 958 . 112 GLY H H 7.65 . . 959 . 112 GLY HA2 H 4.13 . . 960 . 112 GLY HA3 H 3.44 . . 961 . 112 GLY C C 167.3 . . 962 . 112 GLY CA C 45.36 . . 963 . 112 GLY N N 109.8 . . 964 . 113 VAL H H 8.10 . . 965 . 113 VAL HA H 5.72 . . 966 . 113 VAL HB H 1.98 . . 967 . 113 VAL HG1 H 1.00 . . 968 . 113 VAL HG2 H 0.92 . . 969 . 113 VAL C C 173.5 . . 970 . 113 VAL CA C 59.02 . . 971 . 113 VAL CB C 33.96 . . 972 . 113 VAL CG1 C 23.61 . . 973 . 113 VAL CG2 C 20.95 . . 974 . 113 VAL N N 113.9 . . 975 . 114 HIS H H 9.48 . . 976 . 114 HIS HA H 6.35 . . 977 . 114 HIS HB2 H 3.16 . . 978 . 114 HIS HB3 H 2.80 . . 979 . 114 HIS HD2 H 7.25 . . 980 . 114 HIS HE1 H 7.85 . . 981 . 114 HIS C C 179.8 . . 982 . 114 HIS CA C 54.22 . . 983 . 114 HIS CB C 32.98 . . 984 . 114 HIS N N 117.4 . . 985 . 115 ILE H H 8.10 . . 986 . 115 ILE HA H 4.46 . . 987 . 115 ILE HB H 1.82 . . 988 . 115 ILE C C 173.7 . . 989 . 115 ILE CA C 62.55 . . 990 . 115 ILE CB C 41.85 . . 991 . 115 ILE N N 110.1 . . 992 . 116 ILE H H 8.76 . . 993 . 116 ILE HA H 4.80 . . 994 . 116 ILE HB H 1.23 . . 995 . 116 ILE HG12 H 0.90 . . 996 . 116 ILE HG13 H 0.44 . . 997 . 116 ILE HG2 H 0.75 . . 998 . 116 ILE C C 172.4 . . 999 . 116 ILE CA C 60.60 . . 1000 . 116 ILE CB C 43.20 . . 1001 . 116 ILE CG1 C 27.97 . . 1002 . 116 ILE CG2 C 17.61 . . 1003 . 116 ILE CD1 C 14.70 . . 1004 . 116 ILE N N 123.5 . . 1005 . 117 LYS H H 9.19 . . 1006 . 117 LYS HA H 5.27 . . 1007 . 117 LYS HB2 H 1.18 . . 1008 . 117 LYS HB3 H 0.78 . . 1009 . 117 LYS HG2 H 0.97 . . 1010 . 117 LYS HD2 H 0.67 . . 1011 . 117 LYS HD3 H 0.58 . . 1012 . 117 LYS C C 175.5 . . 1013 . 117 LYS CA C 53.55 . . 1014 . 117 LYS CB C 35.85 . . 1015 . 117 LYS N N 126.1 . . 1016 . 118 ARG H H 7.70 . . 1017 . 118 ARG HA H 4.71 . . 1018 . 118 ARG C C 175.8 . . 1019 . 118 ARG CA C 56.51 . . 1020 . 118 ARG CB C 30.87 . . 1021 . 118 ARG N N 126.6 . . 1022 . 119 THR H H 8.96 . . 1023 . 119 THR HA H 4.47 . . 1024 . 119 THR HB H 4.22 . . 1025 . 119 THR HG2 H 0.95 . . 1026 . 119 THR C C 174.2 . . 1027 . 119 THR CA C 61.70 . . 1028 . 119 THR CB C 69.03 . . 1029 . 119 THR N N 119.2 . . 1030 . 120 ALA H H 8.12 . . 1031 . 120 ALA HA H 3.99 . . 1032 . 120 ALA HB H 1.32 . . 1033 . 120 ALA C C 183.7 . . 1034 . 120 ALA CA C 54.94 . . 1035 . 120 ALA CB C 20.75 . . 1036 . 120 ALA N N 129.0 . . stop_ save_