data_5843 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of At3g17210 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman B. F. . stop_ _BMRB_accession_number 5843 _BMRB_flat_file_name bmr5843.str _Entry_type new _Submission_date 2003-06-25 _Accession_date 2003-06-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 636 '15N chemical shifts' 111 '13C chemical shifts' 493 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-07 update author "update cs table and system to dimer" 2003-07-17 original author "original release" stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: Structure of the hypothetical protein At3g17210 from Arabidopsis thaliana ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lytle Betsy L. . 2 Peterson Francis C. . 3 Kjer Kelly L. . 4 Frederick Ronnie O. . 5 Zhao Qin . . 6 Thao Sandy . . 7 Bingman Craig . . 8 Johnson Kenneth A. . 9 Phillips Georage N. . 10 Volkman Brian F. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 4 _Page_first 397 _Page_last 400 _Year 2004 loop_ _Keyword "unknown function" stop_ save_ ################################## # Molecular system description # ################################## save_system_hypothetical_protein_At3g17210 _Saveframe_category molecular_system _Mol_system_name "expressed protein: At3g17210.1" _Abbreviation_common "hypothetical protein At3g17210" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "hypothetical protein At3g17210, chain 1" $hypothetical_protein_At3g17210 "hypothetical protein At3g17210, chain 2" $hypothetical_protein_At3g17210 stop_ _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 "hypothetical protein At3g17210, chain 1" 1 "hypothetical protein At3g17210, chain 2" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1Q53 ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_hypothetical_protein_At3g17210 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "expressed protein At3g17210.1" _Name_variant . _Abbreviation_common At3g17210 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GSHMEEAKGPVKHVLLASFK DGVSPEKIEELIKGYANLVN LIEPMKAFHWGKDVSIENLH QGYTHIFESTFESKEAVAEY IAHPAHVEFATIFLGSLDKV LVIDYKPTSVSL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 GLU 6 GLU 7 ALA 8 LYS 9 GLY 10 PRO 11 VAL 12 LYS 13 HIS 14 VAL 15 LEU 16 LEU 17 ALA 18 SER 19 PHE 20 LYS 21 ASP 22 GLY 23 VAL 24 SER 25 PRO 26 GLU 27 LYS 28 ILE 29 GLU 30 GLU 31 LEU 32 ILE 33 LYS 34 GLY 35 TYR 36 ALA 37 ASN 38 LEU 39 VAL 40 ASN 41 LEU 42 ILE 43 GLU 44 PRO 45 MET 46 LYS 47 ALA 48 PHE 49 HIS 50 TRP 51 GLY 52 LYS 53 ASP 54 VAL 55 SER 56 ILE 57 GLU 58 ASN 59 LEU 60 HIS 61 GLN 62 GLY 63 TYR 64 THR 65 HIS 66 ILE 67 PHE 68 GLU 69 SER 70 THR 71 PHE 72 GLU 73 SER 74 LYS 75 GLU 76 ALA 77 VAL 78 ALA 79 GLU 80 TYR 81 ILE 82 ALA 83 HIS 84 PRO 85 ALA 86 HIS 87 VAL 88 GLU 89 PHE 90 ALA 91 THR 92 ILE 93 PHE 94 LEU 95 GLY 96 SER 97 LEU 98 ASP 99 LYS 100 VAL 101 LEU 102 VAL 103 ILE 104 ASP 105 TYR 106 LYS 107 PRO 108 THR 109 SER 110 VAL 111 SER 112 LEU stop_ _Sequence_homology_query_date 2004-12-06 _Sequence_homology_query_revised_last_date 2004-11-15 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 1Q53 "A Chain A, Solution Structure Of HypotheticalArabidopsis Thaliana Protein At3g17210. Center ForEukaryotic Structural Genomics Target 13081" 100.00 112 100 100 4e-59 PDB 1Q4R "A Chain A, Gene Product Of At3g17210 FromArabidopsis Thaliana" 100.00 112 98 98 1e-57 DBJ BAB02723.1 "unnamed protein product [Arabidopsisthaliana]" 102.75 109 100 100 5e-57 GenBank AAK43839.1 "Unknown protein [Arabidopsis thaliana]" 102.75 109 100 100 5e-57 GenBank AAL47379.1 "unknown protein [Arabidopsis thaliana]" 102.75 109 100 100 5e-57 GenBank AAM63750.1 "pop3 peptide [Arabidopsis thaliana]" 102.75 109 99 100 10e-57 REF NP_566569.1 "stable protein 1-related [Arabidopsisthaliana]" 102.75 109 100 100 5e-57 SWISS-PROT Q9LUV2 "POP3_ARATH Putative Pop3 protein" 102.75 109 100 100 5e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hypothetical_protein_At3g17210 "Thale cress" 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 $hypothetical_protein_At3g17210 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hypothetical_protein_At3g17210 1 mM "[U-13C; U-15N]" "sodium phosphate" 20 mM . "sodium chloride" 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.0 loop_ _Task collection stop_ save_ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version 97.027.12.56 loop_ _Task processing stop_ save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.4 loop_ _Task "data analysis" stop_ save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Task "structure solution" "refinement" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 15N-separated NOESY 3D 13C-separated NOESY" ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 298 . K 'ionic strength' 70 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "hypothetical protein At3g17210, chain 1" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 GLY CA C 45.4 0.1 1 2 1 GLY HA2 H 3.94 0.02 2 3 1 GLY C C 173.8 0.1 1 4 2 SER N N 121.2 0.1 1 5 2 SER H H 7.86 0.02 1 6 2 SER CA C 60.3 0.1 1 7 2 SER HA H 4.25 0.02 1 8 2 SER CB C 64.5 0.1 1 9 2 SER HB3 H 3.78 0.02 2 10 3 HIS N N 112.7 0.1 1 11 3 HIS H H 8.19 0.02 1 12 3 HIS CA C 56.4 0.1 1 13 3 HIS HA H 4.62 0.02 1 14 3 HIS CB C 30.2 0.1 1 15 3 HIS HB2 H 3.11 0.02 2 16 3 HIS HB3 H 3.17 0.02 2 17 3 HIS CD2 C 120.2 0.1 1 18 3 HIS CE1 C 138.8 0.1 1 19 3 HIS HD2 H 7.08 0.02 1 20 3 HIS HE1 H 7.39 0.02 1 21 3 HIS C C 175.1 0.1 1 22 4 MET N N 122.1 0.1 1 23 4 MET H H 8.32 0.02 1 24 4 MET CA C 55.8 0.1 1 25 4 MET HA H 4.39 0.02 1 26 4 MET CB C 33.1 0.1 1 27 4 MET HB2 H 2.00 0.02 2 28 4 MET HB3 H 1.91 0.02 2 29 4 MET CG C 32.2 0.1 1 30 4 MET HG2 H 2.44 0.02 2 31 4 MET HG3 H 2.48 0.02 2 32 4 MET C C 176.2 0.1 1 33 5 GLU N N 122.7 0.1 1 34 5 GLU H H 8.44 0.02 1 35 5 GLU CA C 56.8 0.1 1 36 5 GLU HA H 4.19 0.02 1 37 5 GLU CB C 30.5 0.1 1 38 5 GLU HB2 H 1.87 0.02 2 39 5 GLU HB3 H 1.94 0.02 2 40 5 GLU HG3 H 2.20 0.02 2 41 5 GLU C C 176.5 0.1 1 42 6 GLU N N 123.0 0.1 1 43 6 GLU H H 8.40 0.02 1 44 6 GLU CA C 56.4 0.1 1 45 6 GLU HA H 4.17 0.02 1 46 6 GLU CB C 30.9 0.1 1 47 6 GLU HB3 H 1.95 0.02 2 48 6 GLU HG3 H 2.21 0.02 2 49 6 GLU C C 176.3 0.1 1 50 7 ALA N N 126.1 0.1 1 51 7 ALA H H 8.39 0.02 1 52 7 ALA CA C 52.5 0.1 1 53 7 ALA HA H 4.29 0.02 1 54 7 ALA HB H 1.40 0.02 1 55 7 ALA CB C 19.5 0.1 1 56 7 ALA C C 178.1 0.1 1 57 8 LYS N N 120.5 0.1 1 58 8 LYS H H 8.54 0.02 1 59 8 LYS CA C 57.4 0.1 1 60 8 LYS HA H 4.14 0.02 1 61 8 LYS CB C 33.5 0.1 1 62 8 LYS HB2 H 1.84 0.02 2 63 8 LYS HB3 H 1.76 0.02 2 64 8 LYS CG C 25.4 0.1 1 65 8 LYS HG2 H 1.50 0.02 2 66 8 LYS HG3 H 1.42 0.02 2 67 8 LYS CD C 29.6 0.1 1 68 8 LYS HD3 H 1.64 0.02 2 69 8 LYS CE C 42.5 0.1 1 70 8 LYS HE3 H 2.93 0.02 2 71 8 LYS C C 176.0 0.1 1 72 9 GLY N N 106.0 0.1 1 73 9 GLY H H 7.45 0.02 1 74 9 GLY CA C 44.5 0.1 1 75 9 GLY HA2 H 3.79 0.02 2 76 9 GLY HA3 H 3.62 0.02 2 77 10 PRO CD C 50.6 0.1 1 78 10 PRO CA C 62.9 0.1 1 79 10 PRO HA H 4.41 0.02 1 80 10 PRO CB C 35.7 0.1 1 81 10 PRO HB2 H 1.60 0.02 2 82 10 PRO HB3 H 2.24 0.02 2 83 10 PRO CG C 25.0 0.1 1 84 10 PRO HG2 H 1.43 0.02 2 85 10 PRO HG3 H 1.76 0.02 2 86 10 PRO HD2 H 3.45 0.02 2 87 10 PRO HD3 H 3.38 0.02 2 88 10 PRO C C 174.2 0.1 1 89 11 VAL N N 117.3 0.1 1 90 11 VAL H H 8.44 0.02 1 91 11 VAL CA C 61.3 0.1 1 92 11 VAL HA H 4.08 0.02 1 93 11 VAL CB C 35.1 0.1 1 94 11 VAL HB H 1.30 0.02 1 95 11 VAL HG1 H 0.57 0.02 2 96 11 VAL HG2 H 0.46 0.02 2 97 11 VAL CG1 C 22.5 0.1 1 98 11 VAL CG2 C 21.8 0.1 1 99 11 VAL C C 174.6 0.1 1 100 12 LYS N N 125.0 0.1 1 101 12 LYS H H 8.88 0.02 1 102 12 LYS CA C 53.8 0.1 1 103 12 LYS HA H 4.83 0.02 1 104 12 LYS CB C 34.1 0.1 1 105 12 LYS HB2 H 1.15 0.02 2 106 12 LYS HB3 H 1.02 0.02 2 107 12 LYS CG C 25.4 0.1 1 108 12 LYS HG2 H 0.70 0.02 2 109 12 LYS HG3 H 0.83 0.02 2 110 12 LYS CD C 28.9 0.1 1 111 12 LYS HD2 H 1.01 0.02 2 112 12 LYS HD3 H 1.34 0.02 2 113 12 LYS CE C 42.5 0.1 1 114 12 LYS HE3 H 2.49 0.02 2 115 12 LYS C C 173.8 0.1 1 116 13 HIS N N 125.3 0.1 1 117 13 HIS H H 9.18 0.02 1 118 13 HIS CA C 54.5 0.1 1 119 13 HIS HA H 5.78 0.02 1 120 13 HIS CB C 32.2 0.1 1 121 13 HIS HB2 H 3.58 0.02 2 122 13 HIS HB3 H 2.51 0.02 2 123 13 HIS CD2 C 120.2 0.1 1 124 13 HIS CE1 C 138.5 0.1 1 125 13 HIS HD2 H 7.22 0.02 1 126 13 HIS HE1 H 9.06 0.02 1 127 13 HIS C C 173.8 0.1 1 128 14 VAL N N 131.3 0.1 1 129 14 VAL H H 9.56 0.02 1 130 14 VAL CA C 61.9 0.1 1 131 14 VAL HA H 4.61 0.02 1 132 14 VAL CB C 33.8 0.1 1 133 14 VAL HB H 2.07 0.02 1 134 14 VAL HG1 H 0.94 0.02 2 135 14 VAL HG2 H 0.62 0.02 2 136 14 VAL CG1 C 22.5 0.1 1 137 14 VAL CG2 C 21.2 0.1 1 138 14 VAL C C 172.3 0.1 1 139 15 LEU N N 128.9 0.1 1 140 15 LEU H H 8.97 0.02 1 141 15 LEU CA C 54.2 0.1 1 142 15 LEU HA H 5.45 0.02 1 143 15 LEU CB C 46.1 0.1 1 144 15 LEU HB2 H 2.01 0.02 2 145 15 LEU HB3 H 1.44 0.02 2 146 15 LEU CG C 28.9 0.1 1 147 15 LEU HG H 1.72 0.02 1 148 15 LEU HD1 H 1.04 0.02 2 149 15 LEU HD2 H 0.99 0.02 2 150 15 LEU CD1 C 27.6 0.1 1 151 15 LEU CD2 C 26.7 0.1 1 152 15 LEU C C 175.7 0.1 1 153 16 LEU N N 127.8 0.1 1 154 16 LEU H H 9.77 0.02 1 155 16 LEU CA C 54.2 0.1 1 156 16 LEU HA H 5.39 0.02 1 157 16 LEU CB C 44.5 0.1 1 158 16 LEU HB3 H 1.14 0.02 2 159 16 LEU CG C 28.9 0.1 1 160 16 LEU HG H 1.27 0.02 1 161 16 LEU HD1 H 0.36 0.02 2 162 16 LEU HD2 H 0.38 0.02 2 163 16 LEU CD2 C 26.0 0.1 1 164 16 LEU C C 175.9 0.1 1 165 17 ALA N N 121.5 0.1 1 166 17 ALA H H 9.19 0.02 1 167 17 ALA CA C 50.9 0.1 1 168 17 ALA HA H 5.46 0.02 1 169 17 ALA HB H 1.25 0.02 1 170 17 ALA CB C 26.7 0.1 1 171 17 ALA C C 177.2 0.1 1 172 18 SER N N 113.6 0.1 1 173 18 SER H H 7.88 0.02 1 174 18 SER CA C 57.4 0.1 1 175 18 SER HA H 4.96 0.02 1 176 18 SER CB C 66.5 0.1 1 177 18 SER HB3 H 3.88 0.02 2 178 18 SER C C 174.2 0.1 1 179 19 PHE N N 124.7 0.1 1 180 19 PHE H H 9.64 0.02 1 181 19 PHE CA C 59.3 0.1 1 182 19 PHE HA H 4.63 0.02 1 183 19 PHE CB C 40.9 0.1 1 184 19 PHE HB3 H 2.86 0.02 2 185 19 PHE HD1 H 6.97 0.02 1 186 19 PHE HD2 H 6.97 0.02 1 187 19 PHE HE1 H 6.32 0.02 1 188 19 PHE HE2 H 6.32 0.02 1 189 19 PHE CD1 C 132.5 0.1 1 190 19 PHE CE1 C 130.6 0.1 1 191 19 PHE CZ C 127.8 0.1 1 192 19 PHE HZ H 6.85 0.02 1 193 19 PHE C C 176.2 0.1 1 194 20 LYS N N 120.5 0.1 1 195 20 LYS H H 8.39 0.02 1 196 20 LYS CA C 57.4 0.1 1 197 20 LYS HA H 3.95 0.02 1 198 20 LYS CB C 34.1 0.1 1 199 20 LYS HB2 H 1.75 0.02 2 200 20 LYS HB3 H 1.51 0.02 2 201 20 LYS CG C 26.7 0.1 1 202 20 LYS HG2 H 1.25 0.02 2 203 20 LYS HG3 H 0.98 0.02 2 204 20 LYS CD C 30.2 0.1 1 205 20 LYS HD3 H 1.51 0.02 2 206 20 LYS CE C 42.5 0.1 1 207 20 LYS HE3 H 2.84 0.02 2 208 20 LYS C C 176.9 0.1 1 209 21 ASP N N 121.8 0.1 1 210 21 ASP H H 8.59 0.02 1 211 21 ASP CA C 56.1 0.1 1 212 21 ASP HA H 4.35 0.02 1 213 21 ASP CB C 41.2 0.1 1 214 21 ASP HB3 H 2.56 0.02 2 215 21 ASP C C 177.6 0.1 1 216 22 GLY N N 111.5 0.1 1 217 22 GLY H H 8.61 0.02 1 218 22 GLY CA C 45.4 0.1 1 219 22 GLY HA2 H 3.65 0.02 2 220 22 GLY HA3 H 4.11 0.02 2 221 22 GLY C C 174.7 0.1 1 222 23 VAL N N 122.6 0.1 1 223 23 VAL H H 7.39 0.02 1 224 23 VAL CA C 63.2 0.1 1 225 23 VAL HA H 3.91 0.02 1 226 23 VAL CB C 31.5 0.1 1 227 23 VAL HB H 2.09 0.02 1 228 23 VAL HG1 H 1.07 0.02 2 229 23 VAL HG2 H 0.83 0.02 2 230 23 VAL CG1 C 22.5 0.1 1 231 23 VAL CG2 C 22.1 0.1 1 232 23 VAL C C 175.8 0.1 1 233 24 SER N N 126.9 0.1 1 234 24 SER H H 8.52 0.02 1 235 24 SER CA C 58.4 0.1 1 236 24 SER HA H 4.56 0.02 1 237 24 SER CB C 63.5 0.1 1 238 24 SER HB2 H 4.37 0.02 2 239 24 SER HB3 H 3.96 0.02 2 240 25 PRO CD C 50.6 0.1 1 241 25 PRO CA C 65.8 0.1 1 242 25 PRO HA H 4.08 0.02 1 243 25 PRO CB C 32.2 0.1 1 244 25 PRO HB2 H 2.33 0.02 2 245 25 PRO HB3 H 1.88 0.02 2 246 25 PRO CG C 28.3 0.1 1 247 25 PRO HG2 H 2.01 0.02 2 248 25 PRO HG3 H 2.18 0.02 2 249 25 PRO HD3 H 3.88 0.02 2 250 25 PRO C C 179.7 0.1 1 251 26 GLU N N 117.9 0.1 1 252 26 GLU H H 8.75 0.02 1 253 26 GLU CA C 60.3 0.1 1 254 26 GLU HA H 3.98 0.02 1 255 26 GLU CB C 28.6 0.1 1 256 26 GLU HB2 H 1.97 0.02 2 257 26 GLU HB3 H 1.87 0.02 2 258 26 GLU CG C 37.3 0.1 1 259 26 GLU HG2 H 2.37 0.02 2 260 26 GLU HG3 H 2.19 0.02 2 261 26 GLU C C 179.0 0.1 1 262 27 LYS N N 124.2 0.1 1 263 27 LYS H H 7.85 0.02 1 264 27 LYS CA C 58.0 0.1 1 265 27 LYS HA H 4.05 0.02 1 266 27 LYS CB C 30.9 0.1 1 267 27 LYS HB2 H 1.79 0.02 2 268 27 LYS HB3 H 1.97 0.02 2 269 27 LYS CG C 24.7 0.1 1 270 27 LYS HG2 H 1.27 0.02 2 271 27 LYS HG3 H 1.42 0.02 2 272 27 LYS CD C 28.3 0.1 1 273 27 LYS HD3 H 1.67 0.02 2 274 27 LYS CE C 42.2 0.1 1 275 27 LYS HE2 H 2.76 0.02 2 276 27 LYS HE3 H 2.84 0.02 2 277 27 LYS C C 178.4 0.1 1 278 28 ILE N N 120.6 0.1 1 279 28 ILE H H 7.94 0.02 1 280 28 ILE CA C 67.1 0.1 1 281 28 ILE HA H 2.93 0.02 1 282 28 ILE CB C 37.7 0.1 1 283 28 ILE HB H 1.47 0.02 1 284 28 ILE HG2 H 0.20 0.02 1 285 28 ILE CG2 C 16.6 0.1 1 286 28 ILE CG1 C 28.9 0.1 1 287 28 ILE HG12 H 1.15 0.02 2 288 28 ILE HG13 H -1.03 0.02 2 289 28 ILE HD1 H 0.25 0.02 1 290 28 ILE CD1 C 13.7 0.1 1 291 28 ILE C C 177.4 0.1 1 292 29 GLU N N 117.6 0.1 1 293 29 GLU H H 7.66 0.02 1 294 29 GLU CA C 60.3 0.1 1 295 29 GLU HA H 3.69 0.02 1 296 29 GLU CB C 29.6 0.1 1 297 29 GLU HB3 H 2.03 0.02 2 298 29 GLU CG C 36.7 0.1 1 299 29 GLU HG2 H 2.13 0.02 2 300 29 GLU HG3 H 2.33 0.02 2 301 29 GLU C C 178.8 0.1 1 302 30 GLU N N 119.5 0.1 1 303 30 GLU H H 7.66 0.02 1 304 30 GLU CA C 59.7 0.1 1 305 30 GLU HA H 3.89 0.02 1 306 30 GLU CB C 30.2 0.1 1 307 30 GLU HB3 H 2.13 0.02 2 308 30 GLU CG C 36.4 0.1 1 309 30 GLU HG2 H 2.13 0.02 2 310 30 GLU HG3 H 2.33 0.02 2 311 30 GLU C C 180.2 0.1 1 312 31 LEU N N 122.9 0.1 1 313 31 LEU H H 8.52 0.02 1 314 31 LEU CA C 58.4 0.1 1 315 31 LEU HA H 4.24 0.02 1 316 31 LEU CB C 42.2 0.1 1 317 31 LEU HB2 H 2.19 0.02 2 318 31 LEU HB3 H 1.51 0.02 2 319 31 LEU CG C 27.0 0.1 1 320 31 LEU HG H 1.86 0.02 1 321 31 LEU HD1 H 0.91 0.02 2 322 31 LEU HD2 H 0.81 0.02 2 323 31 LEU CD1 C 26.3 0.1 1 324 31 LEU CD2 C 23.1 0.1 1 325 31 LEU C C 178.9 0.1 1 326 32 ILE N N 120.9 0.1 1 327 32 ILE H H 8.52 0.02 1 328 32 ILE CA C 67.4 0.1 1 329 32 ILE HA H 3.39 0.02 1 330 32 ILE CB C 37.7 0.1 1 331 32 ILE HB H 1.50 0.02 1 332 32 ILE HG2 H 0.16 0.02 1 333 32 ILE CG2 C 16.3 0.1 1 334 32 ILE CG1 C 30.2 0.1 1 335 32 ILE HG12 H 1.88 0.02 2 336 32 ILE HG13 H 0.66 0.02 2 337 32 ILE HD1 H -0.12 0.02 1 338 32 ILE CD1 C 13.1 0.1 1 339 32 ILE C C 177.7 0.1 1 340 33 LYS N N 118.7 0.1 1 341 33 LYS H H 7.87 0.02 1 342 33 LYS CA C 60.6 0.1 1 343 33 LYS HA H 3.73 0.02 1 344 33 LYS CB C 32.5 0.1 1 345 33 LYS HB2 H 1.77 0.02 2 346 33 LYS HB3 H 1.73 0.02 2 347 33 LYS CG C 26.3 0.1 1 348 33 LYS HG2 H 1.53 0.02 2 349 33 LYS HG3 H 1.22 0.02 2 350 33 LYS CD C 29.9 0.1 1 351 33 LYS HD2 H 1.61 0.02 2 352 33 LYS HD3 H 1.59 0.02 2 353 33 LYS CE C 42.5 0.1 1 354 33 LYS HE2 H 2.87 0.02 2 355 33 LYS HE3 H 2.86 0.02 2 356 33 LYS C C 179.4 0.1 1 357 34 GLY N N 107.6 0.1 1 358 34 GLY H H 8.00 0.02 1 359 34 GLY CA C 47.0 0.1 1 360 34 GLY HA2 H 3.54 0.02 2 361 34 GLY HA3 H 3.53 0.02 2 362 34 GLY C C 174.7 0.1 1 363 35 TYR N N 126.5 0.1 1 364 35 TYR H H 7.81 0.02 1 365 35 TYR CA C 57.4 0.1 1 366 35 TYR HA H 2.90 0.02 1 367 35 TYR CB C 38.0 0.1 1 368 35 TYR HB2 H 2.72 0.02 2 369 35 TYR HB3 H 2.48 0.02 2 370 35 TYR HD1 H 6.20 0.02 1 371 35 TYR HD2 H 6.20 0.02 1 372 35 TYR HE1 H 6.56 0.02 1 373 35 TYR HE2 H 6.56 0.02 1 374 35 TYR CD1 C 131.5 0.1 1 375 35 TYR CE1 C 120.7 0.1 1 376 35 TYR C C 178.7 0.1 1 377 36 ALA N N 119.1 0.1 1 378 36 ALA H H 7.74 0.02 1 379 36 ALA CA C 54.5 0.1 1 380 36 ALA HA H 2.74 0.02 1 381 36 ALA HB H 1.26 0.02 1 382 36 ALA CB C 18.9 0.1 1 383 36 ALA C C 181.0 0.1 1 384 37 ASN N N 114.4 0.1 1 385 37 ASN H H 7.71 0.02 1 386 37 ASN CA C 54.5 0.1 1 387 37 ASN HA H 4.28 0.02 1 388 37 ASN CB C 39.0 0.1 1 389 37 ASN HB2 H 2.61 0.02 1 390 37 ASN HB3 H 2.61 0.02 1 391 37 ASN ND2 N 115.0 0.1 1 392 37 ASN HD21 H 7.68 0.02 2 393 37 ASN HD22 H 6.90 0.02 2 394 37 ASN C C 177.0 0.1 1 395 38 LEU N N 118.4 0.1 1 396 38 LEU H H 7.57 0.02 1 397 38 LEU CA C 58.0 0.1 1 398 38 LEU HA H 3.73 0.02 1 399 38 LEU CB C 40.9 0.1 1 400 38 LEU HB2 H 2.03 0.02 2 401 38 LEU HB3 H 1.35 0.02 2 402 38 LEU CG C 26.0 0.1 1 403 38 LEU HG H 1.73 0.02 1 404 38 LEU HD1 H 0.78 0.02 2 405 38 LEU HD2 H 0.51 0.02 2 406 38 LEU CD1 C 26.7 0.1 1 407 38 LEU CD2 C 22.1 0.1 1 408 38 LEU C C 178.0 0.1 1 409 39 VAL N N 118.0 0.1 1 410 39 VAL H H 7.26 0.02 1 411 39 VAL CA C 65.5 0.1 1 412 39 VAL HA H 3.37 0.02 1 413 39 VAL CB C 32.2 0.1 1 414 39 VAL HB H 1.77 0.02 1 415 39 VAL HG1 H 0.78 0.02 2 416 39 VAL HG2 H 0.70 0.02 2 417 39 VAL CG1 C 23.4 0.1 1 418 39 VAL CG2 C 21.2 0.1 1 419 39 VAL C C 177.2 0.1 1 420 40 ASN N N 112.9 0.1 1 421 40 ASN H H 7.13 0.02 1 422 40 ASN CA C 54.5 0.1 1 423 40 ASN HA H 4.45 0.02 1 424 40 ASN CB C 39.0 0.1 1 425 40 ASN HB2 H 2.72 0.02 2 426 40 ASN HB3 H 2.65 0.02 2 427 40 ASN ND2 N 114.8 0.1 1 428 40 ASN HD21 H 6.88 0.02 2 429 40 ASN HD22 H 7.75 0.02 2 430 40 ASN C C 176.7 0.1 1 431 41 LEU N N 118.1 0.1 1 432 41 LEU H H 7.18 0.02 1 433 41 LEU CA C 56.1 0.1 1 434 41 LEU HA H 4.20 0.02 1 435 41 LEU CB C 44.5 0.1 1 436 41 LEU HB2 H 1.43 0.02 2 437 41 LEU HB3 H 1.32 0.02 2 438 41 LEU CG C 26.7 0.1 1 439 41 LEU HG H 1.56 0.02 1 440 41 LEU HD1 H 0.74 0.02 2 441 41 LEU HD2 H 0.73 0.02 2 442 41 LEU CD1 C 22.5 0.1 1 443 41 LEU CD2 C 26.0 0.1 1 444 41 LEU C C 176.4 0.1 1 445 42 ILE N N 118.6 0.1 1 446 42 ILE H H 7.94 0.02 1 447 42 ILE CA C 61.0 0.1 1 448 42 ILE HA H 3.82 0.02 1 449 42 ILE CB C 37.7 0.1 1 450 42 ILE HB H 1.93 0.02 1 451 42 ILE HG2 H 0.84 0.02 1 452 42 ILE CG2 C 17.3 0.1 1 453 42 ILE CG1 C 25.4 0.1 1 454 42 ILE HG12 H 1.24 0.02 2 455 42 ILE HG13 H -0.55 0.02 2 456 42 ILE HD1 H 0.78 0.02 1 457 42 ILE C C 176.4 0.1 1 458 43 GLU N N 131.4 0.1 1 459 43 GLU H H 9.35 0.02 1 460 43 GLU CA C 61.6 0.1 1 461 43 GLU HA H 4.20 0.02 1 462 43 GLU CB C 26.7 0.1 1 463 43 GLU HB3 H 2.07 0.02 2 464 43 GLU CG C 36.4 0.1 1 465 43 GLU HG2 H 2.19 0.02 2 466 43 GLU HG3 H 2.27 0.02 2 467 44 PRO CD C 50.3 0.1 1 468 44 PRO CA C 64.8 0.1 1 469 44 PRO HA H 4.31 0.02 1 470 44 PRO CB C 32.5 0.1 1 471 44 PRO HB2 H 2.52 0.02 2 472 44 PRO HB3 H 1.99 0.02 2 473 44 PRO CG C 27.6 0.1 1 474 44 PRO HG2 H 1.71 0.02 2 475 44 PRO HG3 H 2.10 0.02 2 476 44 PRO HD2 H 4.00 0.02 2 477 44 PRO HD3 H 3.63 0.02 2 478 44 PRO C C 176.3 0.1 1 479 45 MET N N 118.1 0.1 1 480 45 MET H H 6.95 0.02 1 481 45 MET CA C 56.4 0.1 1 482 45 MET HA H 3.35 0.02 1 483 45 MET CB C 32.8 0.1 1 484 45 MET HB2 H 2.10 0.02 2 485 45 MET HB3 H 1.33 0.02 2 486 45 MET CG C 32.2 0.1 1 487 45 MET HG3 H 1.77 0.02 2 488 45 MET HE H 2.01 0.02 1 489 45 MET CE C 18.3 0.1 1 490 45 MET C C 175.1 0.1 1 491 46 LYS N N 124.1 0.1 1 492 46 LYS H H 7.96 0.02 1 493 46 LYS CA C 55.8 0.1 1 494 46 LYS HA H 4.31 0.02 1 495 46 LYS CB C 32.8 0.1 1 496 46 LYS HB2 H 1.64 0.02 2 497 46 LYS HB3 H 1.32 0.02 2 498 46 LYS CG C 23.1 0.1 1 499 46 LYS HG2 H 1.43 0.02 2 500 46 LYS HG3 H 1.33 0.02 2 501 46 LYS CD C 28.0 0.1 1 502 46 LYS HD2 H 1.37 0.02 2 503 46 LYS HD3 H 1.34 0.02 2 504 46 LYS CE C 42.5 0.1 1 505 46 LYS HE3 H 2.84 0.02 2 506 46 LYS C C 177.4 0.1 1 507 47 ALA N N 117.0 0.1 1 508 47 ALA H H 7.15 0.02 1 509 47 ALA CA C 51.9 0.1 1 510 47 ALA HA H 4.47 0.02 1 511 47 ALA HB H 1.23 0.02 1 512 47 ALA CB C 22.1 0.1 1 513 47 ALA C C 174.7 0.1 1 514 48 PHE N N 120.5 0.1 1 515 48 PHE H H 8.48 0.02 1 516 48 PHE CA C 57.4 0.1 1 517 48 PHE HA H 5.30 0.02 1 518 48 PHE CB C 43.8 0.1 1 519 48 PHE HB2 H 2.83 0.02 2 520 48 PHE HB3 H 2.62 0.02 2 521 48 PHE HD1 H 6.98 0.02 1 522 48 PHE HD2 H 6.98 0.02 1 523 48 PHE HE1 H 6.41 0.02 1 524 48 PHE HE2 H 6.41 0.02 1 525 48 PHE CD1 C 131.5 0.1 1 526 48 PHE CE1 C 130.7 0.1 1 527 48 PHE CZ C 129.3 0.1 1 528 48 PHE HZ H 6.84 0.02 1 529 48 PHE C C 174.1 0.1 1 530 49 HIS N N 124.8 0.1 1 531 49 HIS H H 8.29 0.02 1 532 49 HIS CA C 56.1 0.1 1 533 49 HIS HA H 4.69 0.02 1 534 49 HIS CB C 32.8 0.1 1 535 49 HIS HB2 H 2.92 0.02 2 536 49 HIS HB3 H 2.89 0.02 2 537 49 HIS CD2 C 120.7 0.1 1 538 49 HIS CE1 C 137.9 0.1 1 539 49 HIS HD2 H 6.47 0.02 1 540 49 HIS HE1 H 7.57 0.02 1 541 49 HIS C C 171.1 0.1 1 542 50 TRP N N 117.0 0.1 1 543 50 TRP H H 8.94 0.02 1 544 50 TRP CA C 54.8 0.1 1 545 50 TRP HA H 5.49 0.02 1 546 50 TRP CB C 34.4 0.1 1 547 50 TRP HB2 H 3.47 0.02 2 548 50 TRP HB3 H 2.87 0.02 2 549 50 TRP CD1 C 126.6 0.1 1 550 50 TRP CE3 C 120.3 0.1 1 551 50 TRP NE1 N 129.7 0.1 1 552 50 TRP HD1 H 6.95 0.02 1 553 50 TRP HE3 H 7.33 0.02 1 554 50 TRP CZ3 C 122.0 0.1 1 555 50 TRP CZ2 C 114.6 0.1 1 556 50 TRP HE1 H 10.01 0.02 1 557 50 TRP HZ3 H 6.95 0.02 1 558 50 TRP CH2 C 124.0 0.1 1 559 50 TRP HZ2 H 7.56 0.02 1 560 50 TRP HH2 H 7.23 0.02 1 561 50 TRP C C 174.0 0.1 1 562 51 GLY N N 104.5 0.1 1 563 51 GLY H H 8.74 0.02 1 564 51 GLY CA C 46.4 0.1 1 565 51 GLY HA2 H 3.47 0.02 2 566 51 GLY HA3 H 3.53 0.02 2 567 51 GLY C C 170.5 0.1 1 568 52 LYS N N 119.5 0.1 1 569 52 LYS H H 7.59 0.02 1 570 52 LYS CA C 53.8 0.1 1 571 52 LYS HA H 4.88 0.02 1 572 52 LYS CB C 35.7 0.1 1 573 52 LYS HB2 H 1.43 0.02 2 574 52 LYS HB3 H 1.64 0.02 2 575 52 LYS CG C 25.0 0.1 1 576 52 LYS HG2 H 1.18 0.02 2 577 52 LYS HG3 H 1.28 0.02 2 578 52 LYS CD C 29.6 0.1 1 579 52 LYS HD3 H 1.61 0.02 2 580 52 LYS CE C 42.5 0.1 1 581 52 LYS HE3 H 3.03 0.02 2 582 52 LYS C C 175.8 0.1 1 583 53 ASP N N 123.2 0.1 1 584 53 ASP H H 8.53 0.02 1 585 53 ASP CA C 55.8 0.1 1 586 53 ASP HA H 5.20 0.02 1 587 53 ASP CB C 41.5 0.1 1 588 53 ASP HB2 H 2.62 0.02 2 589 53 ASP HB3 H 2.42 0.02 2 590 53 ASP C C 178.0 0.1 1 591 54 VAL N N 120.1 0.1 1 592 54 VAL H H 9.15 0.02 1 593 54 VAL CA C 60.6 0.1 1 594 54 VAL HA H 4.61 0.02 1 595 54 VAL CB C 32.5 0.1 1 596 54 VAL HB H 2.41 0.02 1 597 54 VAL HG1 H 0.91 0.02 2 598 54 VAL HG2 H 0.62 0.02 2 599 54 VAL CG1 C 21.5 0.1 1 600 54 VAL CG2 C 17.6 0.1 1 601 54 VAL C C 177.1 0.1 1 602 55 SER N N 120.1 0.1 1 603 55 SER H H 8.92 0.02 1 604 55 SER CA C 60.0 0.1 1 605 55 SER HA H 3.80 0.02 1 606 55 SER CB C 63.9 0.1 1 607 56 ILE N N 112.7 0.1 1 608 56 ILE H H 8.50 0.02 1 609 56 ILE CA C 61.6 0.1 1 610 56 ILE HA H 4.69 0.02 1 611 56 ILE CB C 39.9 0.1 1 612 56 ILE HB H 2.08 0.02 1 613 56 ILE HG2 H 0.87 0.02 1 614 56 ILE CG2 C 17.9 0.1 1 615 56 ILE CG1 C 26.0 0.1 1 616 56 ILE HG13 H 1.12 0.02 2 617 56 ILE HD1 H 0.77 0.02 1 618 56 ILE CD1 C 14.0 0.1 1 619 57 GLU CA C 58.0 0.1 1 620 57 GLU HA H 4.13 0.02 1 621 57 GLU CB C 32.5 0.1 1 622 57 GLU HB2 H 2.27 0.02 2 623 57 GLU HB3 H 1.87 0.02 2 624 57 GLU CG C 39.0 0.1 1 625 57 GLU HG2 H 2.18 0.02 1 626 57 GLU HG3 H 2.18 0.02 1 627 57 GLU C C 175.4 0.1 1 628 58 ASN N N 117.3 0.1 1 629 58 ASN H H 9.37 0.02 1 630 58 ASN CA C 54.2 0.1 1 631 58 ASN HA H 4.20 0.02 1 632 58 ASN CB C 37.7 0.1 1 633 58 ASN HB2 H 2.98 0.02 2 634 58 ASN HB3 H 2.64 0.02 2 635 58 ASN ND2 N 113.2 0.1 1 636 58 ASN HD21 H 7.46 0.02 2 637 58 ASN HD22 H 6.71 0.02 2 638 58 ASN C C 175.4 0.1 1 639 59 LEU N N 119.9 0.1 1 640 59 LEU H H 8.98 0.02 1 641 59 LEU CA C 54.2 0.1 1 642 59 LEU HA H 4.57 0.02 1 643 59 LEU CB C 44.5 0.1 1 644 59 LEU HB2 H 1.84 0.02 2 645 59 LEU HB3 H 1.30 0.02 2 646 59 LEU CG C 26.0 0.1 1 647 59 LEU HG H 1.53 0.02 1 648 59 LEU HD1 H 0.79 0.02 2 649 59 LEU HD2 H 0.81 0.02 2 650 59 LEU CD1 C 26.0 0.1 1 651 59 LEU CD2 C 23.1 0.1 1 652 59 LEU C C 176.6 0.1 1 653 60 HIS N N 120.4 0.1 1 654 60 HIS H H 6.91 0.02 1 655 60 HIS CA C 56.4 0.1 1 656 60 HIS HA H 4.41 0.02 1 657 60 HIS CB C 30.9 0.1 1 658 60 HIS HB2 H 3.63 0.02 2 659 60 HIS HB3 H 3.08 0.02 2 660 60 HIS ND1 N 110.1 0.1 1 661 60 HIS CD2 C 119.1 0.1 1 662 60 HIS HD1 H 10.93 0.02 1 663 60 HIS CE1 C 139.7 0.1 1 664 60 HIS HD2 H 7.28 0.02 1 665 60 HIS HE1 H 7.69 0.02 1 666 60 HIS C C 176.1 0.1 1 667 61 GLN N N 112.7 0.1 1 668 61 GLN H H 8.23 0.02 1 669 61 GLN CA C 56.1 0.1 1 670 61 GLN HA H 3.75 0.02 1 671 61 GLN CB C 26.0 0.1 1 672 61 GLN HB2 H 2.45 0.02 2 673 61 GLN HB3 H 2.35 0.02 2 674 61 GLN CG C 33.1 0.1 1 675 61 GLN HG2 H 2.47 0.02 1 676 61 GLN HG3 H 2.47 0.02 1 677 61 GLN NE2 N 112.8 0.1 1 678 61 GLN HE21 H 7.24 0.02 2 679 61 GLN HE22 H 6.90 0.02 2 680 61 GLN C C 176.6 0.1 1 681 62 GLY N N 111.1 0.1 1 682 62 GLY H H 8.14 0.02 1 683 62 GLY CA C 45.1 0.1 1 684 62 GLY HA2 H 4.00 0.02 2 685 62 GLY HA3 H 3.54 0.02 2 686 62 GLY C C 175.7 0.1 1 687 63 TYR N N 121.9 0.1 1 688 63 TYR H H 8.10 0.02 1 689 63 TYR CA C 60.6 0.1 1 690 63 TYR HA H 3.99 0.02 1 691 63 TYR CB C 38.3 0.1 1 692 63 TYR HB2 H 2.62 0.02 2 693 63 TYR HB3 H 3.07 0.02 2 694 63 TYR HD1 H 7.09 0.02 1 695 63 TYR HD2 H 7.09 0.02 1 696 63 TYR HE1 H 6.31 0.02 1 697 63 TYR HE2 H 6.31 0.02 1 698 63 TYR CD1 C 133.9 0.1 1 699 63 TYR CE1 C 118.1 0.1 1 700 63 TYR C C 175.7 0.1 1 701 64 THR N N 109.1 0.1 1 702 64 THR H H 8.35 0.02 1 703 64 THR CA C 62.9 0.1 1 704 64 THR HA H 4.51 0.02 1 705 64 THR CB C 70.7 0.1 1 706 64 THR HB H 4.45 0.02 1 707 64 THR HG2 H 1.19 0.02 1 708 64 THR CG2 C 21.2 0.1 1 709 64 THR C C 174.3 0.1 1 710 65 HIS N N 122.2 0.1 1 711 65 HIS H H 8.70 0.02 1 712 65 HIS CA C 56.8 0.1 1 713 65 HIS HA H 5.42 0.02 1 714 65 HIS CB C 36.7 0.1 1 715 65 HIS HB2 H 2.86 0.02 2 716 65 HIS HB3 H 2.80 0.02 2 717 65 HIS CD2 C 116.8 0.1 1 718 65 HIS CE1 C 139.2 0.1 1 719 65 HIS HD2 H 7.04 0.02 1 720 65 HIS HE1 H 8.02 0.02 1 721 65 HIS C C 172.7 0.1 1 722 66 ILE N N 119.0 0.1 1 723 66 ILE H H 8.39 0.02 1 724 66 ILE CA C 58.4 0.1 1 725 66 ILE HA H 5.01 0.02 1 726 66 ILE CB C 41.9 0.1 1 727 66 ILE HB H 0.90 0.02 1 728 66 ILE HG2 H 0.33 0.02 1 729 66 ILE CG2 C 13.7 0.1 1 730 66 ILE CG1 C 29.9 0.1 1 731 66 ILE HG12 H 1.11 0.02 2 732 66 ILE HG13 H 0.29 0.02 2 733 66 ILE HD1 H -0.47 0.02 1 734 66 ILE CD1 C 13.1 0.1 1 735 66 ILE C C 171.5 0.1 1 736 67 PHE N N 123.9 0.1 1 737 67 PHE H H 9.16 0.02 1 738 67 PHE CA C 56.4 0.1 1 739 67 PHE HA H 4.73 0.02 1 740 67 PHE CB C 41.9 0.1 1 741 67 PHE HB2 H 3.26 0.02 2 742 67 PHE HB3 H 2.79 0.02 2 743 67 PHE HD1 H 7.51 0.02 1 744 67 PHE HD2 H 7.51 0.02 1 745 67 PHE HE1 H 7.21 0.02 1 746 67 PHE HE2 H 7.21 0.02 1 747 67 PHE CD1 C 134.1 0.1 1 748 67 PHE CE1 C 130.3 0.1 1 749 67 PHE CZ C 127.9 0.1 1 750 67 PHE HZ H 7.21 0.02 1 751 67 PHE C C 174.4 0.1 1 752 68 GLU N N 124.5 0.1 1 753 68 GLU H H 8.86 0.02 1 754 68 GLU CA C 55.1 0.1 1 755 68 GLU HA H 5.14 0.02 1 756 68 GLU CB C 33.1 0.1 1 757 68 GLU HB2 H 1.31 0.02 2 758 68 GLU HB3 H 1.09 0.02 2 759 68 GLU CG C 38.0 0.1 1 760 68 GLU HG2 H 1.91 0.02 2 761 68 GLU HG3 H 1.57 0.02 2 762 68 GLU C C 175.1 0.1 1 763 69 SER N N 124.6 0.1 1 764 69 SER H H 9.27 0.02 1 765 69 SER CA C 57.4 0.1 1 766 69 SER HA H 5.45 0.02 1 767 69 SER CB C 66.1 0.1 1 768 69 SER HB2 H 3.82 0.02 2 769 69 SER HB3 H 3.73 0.02 2 770 69 SER C C 173.6 0.1 1 771 70 THR N N 118.4 0.1 1 772 70 THR H H 7.73 0.02 1 773 70 THR CA C 63.5 0.1 1 774 70 THR HA H 4.61 0.02 1 775 70 THR CB C 70.7 0.1 1 776 70 THR HB H 3.50 0.02 1 777 70 THR HG2 H 0.91 0.02 1 778 70 THR CG2 C 21.5 0.1 1 779 70 THR C C 171.1 0.1 1 780 71 PHE N N 123.1 0.1 1 781 71 PHE H H 8.80 0.02 1 782 71 PHE CA C 56.8 0.1 1 783 71 PHE HA H 4.62 0.02 1 784 71 PHE CB C 44.8 0.1 1 785 71 PHE HB2 H 2.53 0.02 2 786 71 PHE HB3 H 3.07 0.02 2 787 71 PHE HD1 H 6.79 0.02 1 788 71 PHE HD2 H 6.79 0.02 1 789 71 PHE HE1 H 6.62 0.02 1 790 71 PHE HE2 H 6.62 0.02 1 791 71 PHE CD1 C 132.5 0.1 1 792 71 PHE CE1 C 129.9 0.1 1 793 71 PHE CZ C 128.9 0.1 1 794 71 PHE HZ H 5.34 0.02 1 795 71 PHE C C 176.0 0.1 1 796 72 GLU N N 119.1 0.1 1 797 72 GLU H H 10.44 0.02 1 798 72 GLU CA C 58.4 0.1 1 799 72 GLU HA H 4.11 0.02 1 800 72 GLU CB C 30.9 0.1 1 801 72 GLU HB2 H 1.86 0.02 2 802 72 GLU HB3 H 1.99 0.02 2 803 72 GLU CG C 37.3 0.1 1 804 72 GLU HG2 H 2.32 0.02 2 805 72 GLU HG3 H 2.14 0.02 2 806 72 GLU C C 176.2 0.1 1 807 73 SER N N 106.9 0.1 1 808 73 SER H H 7.26 0.02 1 809 73 SER CA C 57.4 0.1 1 810 73 SER HA H 4.69 0.02 1 811 73 SER CB C 66.5 0.1 1 812 73 SER HB2 H 4.19 0.02 2 813 73 SER HB3 H 3.79 0.02 2 814 73 SER C C 174.3 0.1 1 815 74 LYS N N 120.8 0.1 1 816 74 LYS H H 9.40 0.02 1 817 74 LYS CA C 60.0 0.1 1 818 74 LYS HA H 3.79 0.02 1 819 74 LYS CB C 32.2 0.1 1 820 74 LYS HB2 H 1.77 0.02 2 821 74 LYS HB3 H 1.76 0.02 2 822 74 LYS CG C 25.4 0.1 1 823 74 LYS HG2 H 1.41 0.02 2 824 74 LYS HG3 H 1.34 0.02 2 825 74 LYS CD C 29.9 0.1 1 826 74 LYS HD3 H 1.63 0.02 2 827 74 LYS CE C 41.5 0.1 1 828 74 LYS HE2 H 2.90 0.02 2 829 74 LYS HE3 H 2.98 0.02 2 830 74 LYS C C 179.2 0.1 1 831 75 GLU N N 123.1 0.1 1 832 75 GLU H H 9.03 0.02 1 833 75 GLU CA C 61.0 0.1 1 834 75 GLU HA H 3.88 0.02 1 835 75 GLU CB C 28.3 0.1 1 836 75 GLU HB2 H 1.85 0.02 2 837 75 GLU HB3 H 2.02 0.02 2 838 75 GLU CG C 38.0 0.1 1 839 75 GLU HG2 H 2.46 0.02 2 840 75 GLU HG3 H 2.18 0.02 2 841 75 GLU C C 179.0 0.1 1 842 76 ALA N N 123.4 0.1 1 843 76 ALA H H 7.83 0.02 1 844 76 ALA CA C 54.8 0.1 1 845 76 ALA HA H 4.15 0.02 1 846 76 ALA HB H 1.72 0.02 1 847 76 ALA CB C 20.5 0.1 1 848 76 ALA C C 179.2 0.1 1 849 77 VAL N N 117.8 0.1 1 850 77 VAL H H 6.96 0.02 1 851 77 VAL CA C 66.1 0.1 1 852 77 VAL HA H 2.20 0.02 1 853 77 VAL CB C 30.9 0.1 1 854 77 VAL HB H 1.77 0.02 1 855 77 VAL HG1 H 0.24 0.02 2 856 77 VAL HG2 H 0.34 0.02 2 857 77 VAL CG1 C 21.5 0.1 1 858 77 VAL CG2 C 20.8 0.1 1 859 77 VAL C C 177.6 0.1 1 860 78 ALA N N 120.5 0.1 1 861 78 ALA H H 7.06 0.02 1 862 78 ALA CA C 55.5 0.1 1 863 78 ALA HA H 3.78 0.02 1 864 78 ALA HB H 1.35 0.02 1 865 78 ALA CB C 17.6 0.1 1 866 78 ALA C C 180.6 0.1 1 867 79 GLU N N 119.3 0.1 1 868 79 GLU H H 7.62 0.02 1 869 79 GLU CA C 59.7 0.1 1 870 79 GLU HA H 3.88 0.02 1 871 79 GLU CB C 30.2 0.1 1 872 79 GLU HB2 H 2.33 0.02 2 873 79 GLU HB3 H 2.13 0.02 2 874 79 GLU CG C 36.4 0.1 1 875 79 GLU HG2 H 2.36 0.02 2 876 79 GLU HG3 H 2.38 0.02 2 877 79 GLU C C 179.1 0.1 1 878 80 TYR N N 122.1 0.1 1 879 80 TYR H H 7.84 0.02 1 880 80 TYR CA C 61.0 0.1 1 881 80 TYR HA H 4.08 0.02 1 882 80 TYR CB C 39.3 0.1 1 883 80 TYR HB2 H 3.05 0.02 2 884 80 TYR HB3 H 2.85 0.02 2 885 80 TYR HD1 H 6.63 0.02 1 886 80 TYR HD2 H 6.63 0.02 1 887 80 TYR CD1 C 133.6 0.1 1 888 80 TYR C C 176.2 0.1 1 889 81 ILE N N 118.6 0.1 1 890 81 ILE H H 8.19 0.02 1 891 81 ILE CA C 63.5 0.1 1 892 81 ILE HA H 2.57 0.02 1 893 81 ILE CB C 37.7 0.1 1 894 81 ILE HB H 1.61 0.02 1 895 81 ILE HG2 H 0.69 0.02 1 896 81 ILE CG2 C 17.6 0.1 1 897 81 ILE CG1 C 28.6 0.1 1 898 81 ILE HG12 H 1.35 0.02 2 899 81 ILE HG13 H 0.94 0.02 2 900 81 ILE HD1 H 0.55 0.02 1 901 81 ILE CD1 C 13.7 0.1 1 902 81 ILE C C 178.6 0.1 1 903 82 ALA N N 118.9 0.1 1 904 82 ALA H H 6.97 0.02 1 905 82 ALA CA C 51.9 0.1 1 906 82 ALA HA H 4.17 0.02 1 907 82 ALA HB H 1.34 0.02 1 908 82 ALA CB C 19.9 0.1 1 909 82 ALA C C 176.7 0.1 1 910 83 HIS N N 125.2 0.1 1 911 83 HIS H H 7.72 0.02 1 912 83 HIS CA C 57.1 0.1 1 913 83 HIS HA H 4.41 0.02 1 914 83 HIS CB C 32.2 0.1 1 915 83 HIS HB2 H 3.41 0.02 2 916 83 HIS HB3 H 3.14 0.02 2 917 83 HIS CD2 C 118.6 0.1 1 918 83 HIS CE1 C 139.0 0.1 1 919 83 HIS HD2 H 7.25 0.02 1 920 83 HIS HE1 H 7.76 0.02 1 921 84 PRO CD C 50.9 0.1 1 922 84 PRO CA C 65.8 0.1 1 923 84 PRO HA H 4.14 0.02 1 924 84 PRO CB C 32.8 0.1 1 925 84 PRO HB2 H 1.88 0.02 2 926 84 PRO HB3 H 2.28 0.02 2 927 84 PRO CG C 27.6 0.1 1 928 84 PRO HG3 H 1.87 0.02 2 929 84 PRO HD2 H 2.57 0.02 2 930 84 PRO HD3 H 3.61 0.02 2 931 84 PRO C C 179.3 0.1 1 932 85 ALA N N 124.0 0.1 1 933 85 ALA H H 11.58 0.02 1 934 85 ALA CA C 55.1 0.1 1 935 85 ALA HA H 4.28 0.02 1 936 85 ALA HB H 1.44 0.02 1 937 85 ALA CB C 18.3 0.1 1 938 85 ALA C C 168.8 0.1 1 939 86 HIS N N 118.4 0.1 1 940 86 HIS H H 7.70 0.02 1 941 86 HIS CA C 60.3 0.1 1 942 86 HIS HA H 4.10 0.02 1 943 86 HIS CB C 29.2 0.1 1 944 86 HIS HB2 H 3.42 0.02 2 945 86 HIS HB3 H 2.62 0.02 2 946 86 HIS CD2 C 124.5 0.1 1 947 86 HIS CE1 C 136.4 0.1 1 948 86 HIS HD2 H 6.72 0.02 1 949 86 HIS HE1 H 7.93 0.02 1 950 86 HIS C C 175.7 0.1 1 951 87 VAL N N 120.2 0.1 1 952 87 VAL H H 8.26 0.02 1 953 87 VAL CA C 67.4 0.1 1 954 87 VAL HA H 3.16 0.02 1 955 87 VAL CB C 32.2 0.1 1 956 87 VAL HB H 1.88 0.02 1 957 87 VAL HG1 H 0.95 0.02 2 958 87 VAL HG2 H 0.78 0.02 2 959 87 VAL CG1 C 22.5 0.1 1 960 87 VAL CG2 C 20.8 0.1 1 961 87 VAL C C 179.1 0.1 1 962 88 GLU N N 118.3 0.1 1 963 88 GLU H H 7.98 0.02 1 964 88 GLU CA C 59.7 0.1 1 965 88 GLU HA H 3.89 0.02 1 966 88 GLU CB C 30.2 0.1 1 967 88 GLU HB2 H 1.90 0.02 2 968 88 GLU HB3 H 2.00 0.02 2 969 88 GLU CG C 36.4 0.1 1 970 88 GLU HG3 H 2.26 0.02 2 971 88 GLU C C 178.5 0.1 1 972 89 PHE N N 119.2 0.1 1 973 89 PHE H H 7.28 0.02 1 974 89 PHE CA C 61.6 0.1 1 975 89 PHE HA H 4.09 0.02 1 976 89 PHE CB C 40.2 0.1 1 977 89 PHE HB2 H 3.18 0.02 2 978 89 PHE HB3 H 2.69 0.02 2 979 89 PHE HD1 H 6.73 0.02 1 980 89 PHE HD2 H 6.73 0.02 1 981 89 PHE HE1 H 6.32 0.02 1 982 89 PHE HE2 H 6.32 0.02 1 983 89 PHE CD1 C 131.3 0.1 1 984 89 PHE CE1 C 131.0 0.1 1 985 89 PHE C C 176.7 0.1 1 986 90 ALA N N 121.8 0.1 1 987 90 ALA H H 9.25 0.02 1 988 90 ALA CA C 55.5 0.1 1 989 90 ALA HA H 3.47 0.02 1 990 90 ALA HB H 0.98 0.02 1 991 90 ALA CB C 17.6 0.1 1 992 90 ALA C C 179.4 0.1 1 993 91 THR N N 111.5 0.1 1 994 91 THR H H 7.40 0.02 1 995 91 THR CA C 66.5 0.1 1 996 91 THR HA H 3.68 0.02 1 997 91 THR CB C 69.7 0.1 1 998 91 THR HB H 4.07 0.02 1 999 91 THR HG2 H 1.10 0.02 1 1000 91 THR CG2 C 21.5 0.1 1 1001 91 THR C C 176.8 0.1 1 1002 92 ILE N N 120.7 0.1 1 1003 92 ILE H H 6.76 0.02 1 1004 92 ILE CA C 63.5 0.1 1 1005 92 ILE HA H 3.66 0.02 1 1006 92 ILE CB C 38.6 0.1 1 1007 92 ILE HB H 1.67 0.02 1 1008 92 ILE HG2 H 0.69 0.02 1 1009 92 ILE CG2 C 17.3 0.1 1 1010 92 ILE CG1 C 28.0 0.1 1 1011 92 ILE HG12 H 1.02 0.02 2 1012 92 ILE HG13 H 1.43 0.02 2 1013 92 ILE HD1 H 0.74 0.02 1 1014 92 ILE CD1 C 13.1 0.1 1 1015 92 ILE C C 178.4 0.1 1 1016 93 PHE N N 123.4 0.1 1 1017 93 PHE H H 8.55 0.02 1 1018 93 PHE CA C 61.0 0.1 1 1019 93 PHE HA H 3.82 0.02 1 1020 93 PHE CB C 40.9 0.1 1 1021 93 PHE HB2 H 2.04 0.02 2 1022 93 PHE HB3 H 1.80 0.02 2 1023 93 PHE HD1 H 6.79 0.02 1 1024 93 PHE HD2 H 6.79 0.02 1 1025 93 PHE HE1 H 6.89 0.02 1 1026 93 PHE HE2 H 6.89 0.02 1 1027 93 PHE CD1 C 131.5 0.1 1 1028 93 PHE CE1 C 130.6 0.1 1 1029 93 PHE CZ C 129.1 0.1 1 1030 93 PHE HZ H 6.43 0.02 1 1031 93 PHE C C 177.8 0.1 1 1032 94 LEU N N 116.4 0.1 1 1033 94 LEU H H 8.80 0.02 1 1034 94 LEU CA C 58.0 0.1 1 1035 94 LEU HA H 3.57 0.02 1 1036 94 LEU CB C 40.6 0.1 1 1037 94 LEU HB2 H 1.34 0.02 2 1038 94 LEU HB3 H 1.71 0.02 2 1039 94 LEU CG C 28.3 0.1 1 1040 94 LEU HG H 1.68 0.02 1 1041 94 LEU HD1 H 0.79 0.02 2 1042 94 LEU HD2 H 0.78 0.02 2 1043 94 LEU CD1 C 25.4 0.1 1 1044 94 LEU CD2 C 23.1 0.1 1 1045 94 LEU C C 180.5 0.1 1 1046 95 GLY N N 103.5 0.1 1 1047 95 GLY H H 7.07 0.02 1 1048 95 GLY CA C 46.4 0.1 1 1049 95 GLY HA2 H 3.75 0.02 2 1050 95 GLY HA3 H 3.95 0.02 2 1051 95 GLY C C 174.8 0.1 1 1052 96 SER N N 114.8 0.1 1 1053 96 SER H H 7.57 0.02 1 1054 96 SER CA C 59.3 0.1 1 1055 96 SER HA H 4.50 0.02 1 1056 96 SER CB C 64.8 0.1 1 1057 96 SER HB2 H 4.04 0.02 2 1058 96 SER HB3 H 3.83 0.02 2 1059 96 SER C C 172.7 0.1 1 1060 97 LEU N N 120.1 0.1 1 1061 97 LEU H H 7.12 0.02 1 1062 97 LEU CA C 54.2 0.1 1 1063 97 LEU HA H 4.52 0.02 1 1064 97 LEU CB C 42.2 0.1 1 1065 97 LEU HB2 H 1.43 0.02 2 1066 97 LEU HB3 H 1.18 0.02 2 1067 97 LEU CG C 25.4 0.1 1 1068 97 LEU HG H 1.34 0.02 1 1069 97 LEU HD1 H -0.48 0.02 2 1070 97 LEU HD2 H 0.22 0.02 2 1071 97 LEU CD1 C 22.1 0.1 1 1072 97 LEU CD2 C 25.7 0.1 1 1073 97 LEU C C 176.7 0.1 1 1074 98 ASP N N 121.7 0.1 1 1075 98 ASP H H 8.75 0.02 1 1076 98 ASP CA C 54.8 0.1 1 1077 98 ASP HA H 4.57 0.02 1 1078 98 ASP CB C 42.8 0.1 1 1079 98 ASP HB2 H 2.36 0.02 2 1080 98 ASP HB3 H 2.18 0.02 2 1081 98 ASP C C 175.8 0.1 1 1082 99 LYS N N 116.2 0.1 1 1083 99 LYS H H 7.26 0.02 1 1084 99 LYS CA C 56.1 0.1 1 1085 99 LYS HA H 4.40 0.02 1 1086 99 LYS CB C 35.7 0.1 1 1087 99 LYS HB2 H 1.63 0.02 2 1088 99 LYS HB3 H 1.29 0.02 2 1089 99 LYS CG C 24.4 0.1 1 1090 99 LYS HG2 H 1.11 0.02 2 1091 99 LYS HG3 H 1.00 0.02 2 1092 99 LYS CD C 29.2 0.1 1 1093 99 LYS HD3 H 0.99 0.02 2 1094 99 LYS CE C 41.9 0.1 1 1095 99 LYS HE3 H 2.46 0.02 2 1096 99 LYS C C 173.9 0.1 1 1097 100 VAL N N 117.8 0.1 1 1098 100 VAL H H 7.96 0.02 1 1099 100 VAL CA C 60.6 0.1 1 1100 100 VAL HA H 5.26 0.02 1 1101 100 VAL CB C 35.7 0.1 1 1102 100 VAL HB H 1.95 0.02 1 1103 100 VAL HG1 H 0.85 0.02 2 1104 100 VAL HG2 H 0.81 0.02 2 1105 100 VAL CG1 C 22.1 0.1 1 1106 100 VAL CG2 C 19.9 0.1 1 1107 100 VAL C C 172.3 0.1 1 1108 101 LEU N N 132.9 0.1 1 1109 101 LEU H H 8.75 0.02 1 1110 101 LEU CA C 55.5 0.1 1 1111 101 LEU HA H 5.02 0.02 1 1112 101 LEU CB C 45.8 0.1 1 1113 101 LEU HB2 H 1.10 0.02 2 1114 101 LEU HB3 H 1.62 0.02 2 1115 101 LEU CG C 28.0 0.1 1 1116 101 LEU HG H 1.59 0.02 1 1117 101 LEU HD1 H 0.42 0.02 2 1118 101 LEU HD2 H 0.33 0.02 2 1119 101 LEU CD1 C 24.4 0.1 1 1120 101 LEU CD2 C 27.3 0.1 1 1121 101 LEU C C 175.1 0.1 1 1122 102 VAL N N 124.7 0.1 1 1123 102 VAL H H 7.55 0.02 1 1124 102 VAL CA C 61.0 0.1 1 1125 102 VAL HA H 5.26 0.02 1 1126 102 VAL CB C 35.7 0.1 1 1127 102 VAL HB H 1.60 0.02 1 1128 102 VAL HG1 H 0.85 0.02 2 1129 102 VAL HG2 H 0.67 0.02 2 1130 102 VAL CG1 C 21.8 0.1 1 1131 102 VAL CG2 C 21.5 0.1 1 1132 102 VAL C C 175.4 0.1 1 1133 103 ILE N N 125.5 0.1 1 1134 103 ILE H H 8.79 0.02 1 1135 103 ILE CA C 59.0 0.1 1 1136 103 ILE HA H 4.52 0.02 1 1137 103 ILE CB C 42.8 0.1 1 1138 103 ILE HB H 1.50 0.02 1 1139 103 ILE HG2 H 0.67 0.02 1 1140 103 ILE CG2 C 17.3 0.1 1 1141 103 ILE CG1 C 27.3 0.1 1 1142 103 ILE HG12 H 1.34 0.02 2 1143 103 ILE HG13 H 0.88 0.02 2 1144 103 ILE HD1 H 0.54 0.02 1 1145 103 ILE CD1 C 13.4 0.1 1 1146 103 ILE C C 175.1 0.1 1 1147 104 ASP N N 122.1 0.1 1 1148 104 ASP H H 8.36 0.02 1 1149 104 ASP CA C 52.5 0.1 1 1150 104 ASP HA H 6.31 0.02 1 1151 104 ASP CB C 44.8 0.1 1 1152 104 ASP HB3 H 2.12 0.02 2 1153 104 ASP C C 175.7 0.1 1 1154 105 TYR N N 117.5 0.1 1 1155 105 TYR H H 9.27 0.02 1 1156 105 TYR CA C 56.1 0.1 1 1157 105 TYR HA H 4.98 0.02 1 1158 105 TYR CB C 41.9 0.1 1 1159 105 TYR HB2 H 2.58 0.02 2 1160 105 TYR HB3 H 2.26 0.02 2 1161 105 TYR HD1 H 6.42 0.02 1 1162 105 TYR HD2 H 6.42 0.02 1 1163 105 TYR HE1 H 6.29 0.02 1 1164 105 TYR HE2 H 6.29 0.02 1 1165 105 TYR CD1 C 132.9 0.1 1 1166 105 TYR CE1 C 117.6 0.1 1 1167 105 TYR C C 171.5 0.1 1 1168 106 LYS N N 123.9 0.1 1 1169 106 LYS H H 8.89 0.02 1 1170 106 LYS CA C 52.2 0.1 1 1171 106 LYS HA H 4.97 0.02 1 1172 106 LYS CB C 33.8 0.1 1 1173 106 LYS HB2 H 1.60 0.02 2 1174 106 LYS HB3 H 1.35 0.02 2 1175 106 LYS CG C 24.7 0.1 1 1176 106 LYS HG2 H 1.24 0.02 2 1177 106 LYS HG3 H 1.02 0.02 2 1178 106 LYS CD C 29.2 0.1 1 1179 106 LYS HD3 H 1.35 0.02 2 1180 106 LYS CE C 42.2 0.1 1 1181 106 LYS HE3 H 2.72 0.02 2 1182 107 PRO CD C 50.6 0.1 1 1183 107 PRO CA C 63.9 0.1 1 1184 107 PRO HA H 3.75 0.02 1 1185 107 PRO CB C 31.2 0.1 1 1186 107 PRO HB2 H 0.96 0.02 2 1187 107 PRO HB3 H 1.32 0.02 2 1188 107 PRO CG C 27.3 0.1 1 1189 107 PRO HG2 H 1.52 0.02 2 1190 107 PRO HG3 H 1.08 0.02 2 1191 107 PRO HD2 H 3.02 0.02 2 1192 107 PRO HD3 H 3.50 0.02 2 1193 107 PRO C C 176.7 0.1 1 1194 108 THR N N 123.2 0.1 1 1195 108 THR H H 9.22 0.02 1 1196 108 THR CA C 62.9 0.1 1 1197 108 THR HA H 4.32 0.02 1 1198 108 THR CB C 70.7 0.1 1 1199 108 THR HB H 2.73 0.02 1 1200 108 THR HG2 H 1.08 0.02 1 1201 108 THR CG2 C 20.8 0.1 1 1202 108 THR C C 172.8 0.1 1 1203 109 SER N N 121.4 0.1 1 1204 109 SER H H 8.64 0.02 1 1205 109 SER CA C 57.7 0.1 1 1206 109 SER HA H 4.89 0.02 1 1207 109 SER CB C 64.8 0.1 1 1208 109 SER HB3 H 3.88 0.02 2 1209 109 SER C C 174.3 0.1 1 1210 110 VAL N N 123.6 0.1 1 1211 110 VAL H H 9.09 0.02 1 1212 110 VAL CA C 62.3 0.1 1 1213 110 VAL HA H 4.33 0.02 1 1214 110 VAL CB C 33.8 0.1 1 1215 110 VAL HB H 1.99 0.02 1 1216 110 VAL HG1 H 0.91 0.02 2 1217 110 VAL HG2 H 1.18 0.02 2 1218 110 VAL CG1 C 21.8 0.1 1 1219 110 VAL CG2 C 22.5 0.1 1 1220 110 VAL C C 175.8 0.1 1 1221 111 SER N N 123.5 0.1 1 1222 111 SER H H 8.70 0.02 1 1223 111 SER CA C 58.0 0.1 1 1224 111 SER HA H 4.51 0.02 1 1225 111 SER CB C 63.9 0.1 1 1226 111 SER HB2 H 3.75 0.02 2 1227 111 SER HB3 H 3.86 0.02 2 1228 111 SER C C 173.3 0.1 1 1229 112 LEU N N 132.0 0.1 1 1230 112 LEU H H 8.08 0.02 1 1231 112 LEU CA C 56.8 0.1 1 1232 112 LEU HA H 4.16 0.02 1 1233 112 LEU CB C 43.5 0.1 1 1234 112 LEU HB3 H 1.51 0.02 2 1235 112 LEU CG C 27.3 0.1 1 1236 112 LEU HG H 1.50 0.02 1 1237 112 LEU HD1 H 0.78 0.02 2 1238 112 LEU HD2 H 0.79 0.02 2 1239 112 LEU CD1 C 25.7 0.1 1 1240 112 LEU CD2 C 23.7 0.1 1 stop_ save_