data_5729 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble of the Sem-5 C-terminal SH3 Domain ; _BMRB_accession_number 5729 _BMRB_flat_file_name bmr5729.str _Entry_type original _Submission_date 2003-03-10 _Accession_date 2003-03-11 _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 Chu Josephine Y. . 2 Volk David E. . 3 Luxon Bruce A. . 4 Gorenstein David G. . 5 Hilser Vincent . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 387 "13C chemical shifts" 293 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-08 original author . stop_ _Original_release_date 2003-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure, Dynamics, and Thermodynamics of the Native State Ensemble of the Sem-5 C-terminal SH3 Domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22627427 _PubMed_ID 12741814 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ferreon Josephine C. . 2 Volk David E. . 3 Luxon Bruce A. . 4 Gorenstein David G. . 5 Hilser Vincent J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5582 _Page_last 5591 _Year 2003 _Details . loop_ _Keyword 'C-terminal SH3 Domain of SEM-5 from C. elegans' stop_ save_ ################################## # Molecular system description # ################################## save_system_SH3_Domain _Saveframe_category molecular_system _Mol_system_name 'C-terminal SH3 domain of SEM-5 from C. elegans' _Abbreviation_common 'SH3 Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 subunit 1, monomer' $SH3_Domain 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_SH3_Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 Domain' _Abbreviation_common 'SH3 Domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; HMETKFVEALFDFNPQESGE LAFKRGDVITLINKDDPNWW EGQLNNRRGIFPSNYVAPYN SN ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 MET 3 GLU 4 THR 5 LYS 6 PHE 7 VAL 8 GLU 9 ALA 10 LEU 11 PHE 12 ASP 13 PHE 14 ASN 15 PRO 16 GLN 17 GLU 18 SER 19 GLY 20 GLU 21 LEU 22 ALA 23 PHE 24 LYS 25 ARG 26 GLY 27 ASP 28 VAL 29 ILE 30 THR 31 LEU 32 ILE 33 ASN 34 LYS 35 ASP 36 ASP 37 PRO 38 ASN 39 TRP 40 TRP 41 GLU 42 GLY 43 GLN 44 LEU 45 ASN 46 ASN 47 ARG 48 ARG 49 GLY 50 ILE 51 PHE 52 PRO 53 SER 54 ASN 55 TYR 56 VAL 57 ALA 58 PRO 59 TYR 60 ASN 61 SER 62 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 16462 Sem-5 93.55 58 98.28 100.00 9.87e-34 PDB 1K76 "Solution Structure Of The C-Terminal Sem-5 Sh3 Domain (Minimized Average Structure)" 100.00 62 98.39 100.00 2.50e-37 PDB 1KFZ "Solution Structure Of C-Terminal Sem-5 Sh3 Domain (Ensemble Of 16 Structures)" 100.00 62 98.39 100.00 2.50e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SH3_Domain 6239 'C. elegans' Eukaryota Metazoa Caenorhabditis elegans 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 $SH3_Domain '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 $SH3_Domain 2.0 mM '[U-95% 13C; U-95% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 400 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 750 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.8 0.2 n/a temperature 298 1 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SH3 subunit 1, monomer' _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 HD2 H 7.27 0.02 1 2 . 1 HIS HE1 H 7.33 0.02 1 3 . 1 HIS HE2 H 8.50 0.02 1 4 . 1 HIS CB C 29.6 0.3 1 5 . 1 HIS CD2 C 121.1 0.3 1 6 . 1 HIS CE1 C 137.6 0.3 1 7 . 2 MET HA H 4.43 0.02 1 8 . 2 MET HB2 H 1.96 0.02 1 9 . 2 MET HB3 H 1.96 0.02 1 10 . 2 MET HG2 H 2.48 0.02 1 11 . 2 MET HG3 H 2.48 0.02 1 12 . 2 MET HE H 2.04 0.02 1 13 . 2 MET CA C 55.9 0.3 1 14 . 2 MET CB C 33.6 0.3 1 15 . 2 MET CG C 32.0 0.3 1 16 . 2 MET CE C 17.0 0.3 1 17 . 3 GLU H H 8.69 0.02 1 18 . 3 GLU HA H 4.38 0.02 1 19 . 3 GLU HB2 H 1.91 0.02 1 20 . 3 GLU HB3 H 1.91 0.02 1 21 . 3 GLU HG2 H 2.27 0.02 1 22 . 3 GLU HG3 H 2.27 0.02 1 23 . 3 GLU C C 175.6 0.3 1 24 . 3 GLU CA C 56.3 0.3 1 25 . 3 GLU CB C 30.5 0.3 1 26 . 3 GLU CG C 36.0 0.3 1 27 . 3 GLU N N 124.9 0.2 1 28 . 4 THR H H 8.21 0.02 1 29 . 4 THR HA H 4.18 0.02 1 30 . 4 THR HB H 3.94 0.02 1 31 . 4 THR HG2 H 0.99 0.02 1 32 . 4 THR C C 173.0 0.3 1 33 . 4 THR CA C 62.4 0.3 1 34 . 4 THR CB C 69.9 0.3 1 35 . 4 THR CG2 C 22.6 0.3 1 36 . 4 THR N N 119.1 0.2 1 37 . 5 LYS H H 8.44 0.02 1 38 . 5 LYS HA H 4.34 0.02 1 39 . 5 LYS HB2 H 1.54 0.02 1 40 . 5 LYS HB3 H 1.54 0.02 1 41 . 5 LYS HG2 H 1.17 0.02 2 42 . 5 LYS HG3 H 1.13 0.02 2 43 . 5 LYS HD2 H 1.51 0.02 1 44 . 5 LYS HD3 H 1.51 0.02 1 45 . 5 LYS HE2 H 2.84 0.02 1 46 . 5 LYS HE3 H 2.84 0.02 1 47 . 5 LYS C C 173.9 0.3 1 48 . 5 LYS CA C 55.8 0.3 1 49 . 5 LYS CB C 34.4 0.3 1 50 . 5 LYS CG C 24.8 0.3 1 51 . 5 LYS CD C 28.8 0.3 1 52 . 5 LYS CE C 42.3 0.3 1 53 . 5 LYS N N 126.1 0.2 1 54 . 6 PHE H H 8.48 0.02 1 55 . 6 PHE HA H 5.63 0.02 1 56 . 6 PHE HB2 H 3.02 0.02 1 57 . 6 PHE HB3 H 3.02 0.02 1 58 . 6 PHE HD1 H 7.18 0.02 1 59 . 6 PHE HD2 H 7.18 0.02 1 60 . 6 PHE HE1 H 7.36 0.02 1 61 . 6 PHE HE2 H 7.36 0.02 1 62 . 6 PHE HZ H 7.25 0.02 1 63 . 6 PHE C C 175.3 0.3 1 64 . 6 PHE CA C 56.3 0.3 1 65 . 6 PHE CB C 43.2 0.3 1 66 . 6 PHE CD1 C 132.0 0.3 1 67 . 6 PHE CD2 C 132.0 0.3 1 68 . 6 PHE CE1 C 131.8 0.3 1 69 . 6 PHE CE2 C 131.8 0.3 1 70 . 6 PHE CZ C 129.8 0.3 1 71 . 6 PHE N N 118.6 0.2 1 72 . 7 VAL H H 9.18 0.02 1 73 . 7 VAL HA H 5.06 0.02 1 74 . 7 VAL HB H 2.09 0.02 1 75 . 7 VAL HG2 H 0.76 0.02 1 76 . 7 VAL HG1 H 1.01 0.02 1 77 . 7 VAL C C 172.3 0.3 1 78 . 7 VAL CA C 58.8 0.3 1 79 . 7 VAL CB C 35.8 0.3 1 80 . 7 VAL CG2 C 19.3 0.3 1 81 . 7 VAL CG1 C 23.5 0.3 1 82 . 7 VAL N N 114.4 0.2 1 83 . 8 GLU H H 9.63 0.02 1 84 . 8 GLU HA H 5.23 0.02 1 85 . 8 GLU HB2 H 1.44 0.02 1 86 . 8 GLU HB3 H 1.44 0.02 1 87 . 8 GLU HG2 H 1.92 0.02 1 88 . 8 GLU HG3 H 1.92 0.02 1 89 . 8 GLU C C 174.6 0.3 1 90 . 8 GLU CA C 53.0 0.3 1 91 . 8 GLU CB C 32.4 0.3 1 92 . 8 GLU CG C 33.6 0.3 1 93 . 8 GLU N N 122.7 0.2 1 94 . 9 ALA H H 8.62 0.02 1 95 . 9 ALA HA H 4.14 0.02 1 96 . 9 ALA HB H 1.29 0.02 1 97 . 9 ALA C C 178.6 0.3 1 98 . 9 ALA CA C 53.0 0.3 1 99 . 9 ALA CB C 21.6 0.3 1 100 . 9 ALA N N 128.5 0.2 1 101 . 10 LEU H H 9.47 0.02 1 102 . 10 LEU HA H 3.94 0.02 1 103 . 10 LEU HB2 H 0.91 0.02 2 104 . 10 LEU HB3 H 0.55 0.02 2 105 . 10 LEU HG H 1.27 0.02 1 106 . 10 LEU HD1 H 0.60 0.02 1 107 . 10 LEU HD2 H 0.60 0.02 1 108 . 10 LEU C C 174.6 0.3 1 109 . 10 LEU CA C 55.5 0.3 1 110 . 10 LEU CB C 43.3 0.3 1 111 . 10 LEU CG C 26.9 0.3 1 112 . 10 LEU CD1 C 25.7 0.3 2 113 . 10 LEU CD2 C 22.0 0.3 2 114 . 10 LEU N N 126.9 0.2 1 115 . 11 PHE H H 7.13 0.02 1 116 . 11 PHE HA H 4.81 0.02 1 117 . 11 PHE HB2 H 3.26 0.02 2 118 . 11 PHE HB3 H 2.33 0.02 2 119 . 11 PHE HD1 H 6.79 0.02 1 120 . 11 PHE HD2 H 6.79 0.02 1 121 . 11 PHE HE1 H 7.10 0.02 1 122 . 11 PHE HE2 H 7.10 0.02 1 123 . 11 PHE HZ H 7.10 0.02 1 124 . 11 PHE C C 173.3 0.3 1 125 . 11 PHE CA C 54.3 0.3 1 126 . 11 PHE CB C 43.9 0.3 1 127 . 11 PHE CD1 C 132.5 0.3 1 128 . 11 PHE CD2 C 132.5 0.3 1 129 . 11 PHE CE1 C 129.8 0.3 4 130 . 11 PHE CE2 C 129.8 0.3 4 131 . 11 PHE CZ C 130.9 0.3 4 132 . 11 PHE N N 114.2 0.2 1 133 . 12 ASP H H 8.51 0.02 1 134 . 12 ASP HA H 4.69 0.02 1 135 . 12 ASP HB2 H 2.69 0.02 1 136 . 12 ASP HB3 H 2.69 0.02 1 137 . 12 ASP C C 175.0 0.3 1 138 . 12 ASP CA C 55.1 0.3 1 139 . 12 ASP CB C 41.3 0.3 1 140 . 12 ASP N N 119.2 0.2 1 141 . 13 PHE H H 8.56 0.02 1 142 . 13 PHE HA H 4.88 0.02 1 143 . 13 PHE HB2 H 2.44 0.02 2 144 . 13 PHE HB3 H 1.38 0.02 2 145 . 13 PHE HD1 H 7.22 0.02 1 146 . 13 PHE HD2 H 7.22 0.02 1 147 . 13 PHE HE1 H 7.33 0.02 1 148 . 13 PHE HE2 H 7.33 0.02 1 149 . 13 PHE HZ H 7.33 0.02 1 150 . 13 PHE C C 172.3 0.3 1 151 . 13 PHE CA C 56.8 0.3 1 152 . 13 PHE CB C 42.2 0.3 1 153 . 13 PHE CD1 C 132.9 0.3 1 154 . 13 PHE CD2 C 132.9 0.3 1 155 . 13 PHE CE1 C 129.2 0.3 4 156 . 13 PHE CE2 C 129.2 0.3 4 157 . 13 PHE CZ C 130.8 0.3 4 158 . 13 PHE N N 123.3 0.2 1 159 . 14 ASN H H 8.33 0.02 1 160 . 14 ASN HA H 5.01 0.02 1 161 . 14 ASN HB3 H 2.53 0.02 1 162 . 14 ASN HB2 H 2.47 0.02 1 163 . 14 ASN HD21 H 6.77 0.02 2 164 . 14 ASN HD22 H 7.37 0.02 2 165 . 14 ASN CA C 49.9 0.3 1 166 . 14 ASN CB C 39.6 0.3 1 167 . 14 ASN CG C 177.2 0.3 1 168 . 14 ASN N N 126.6 0.2 1 169 . 14 ASN ND2 N 114.8 0.2 1 170 . 15 PRO HA H 3.91 0.02 1 171 . 15 PRO HB2 H 2.04 0.02 2 172 . 15 PRO HB3 H 1.77 0.02 2 173 . 15 PRO HG2 H 1.69 0.02 2 174 . 15 PRO HG3 H 1.29 0.02 2 175 . 15 PRO HD2 H 3.33 0.02 2 176 . 15 PRO HD3 H 2.41 0.02 2 177 . 15 PRO C C 176.5 0.3 1 178 . 15 PRO CA C 62.9 0.3 1 179 . 15 PRO CB C 34.1 0.3 1 180 . 15 PRO CG C 26.5 0.3 1 181 . 15 PRO CD C 50.6 0.3 1 182 . 16 GLN H H 8.49 0.02 1 183 . 16 GLN HA H 4.27 0.02 1 184 . 16 GLN HB2 H 1.92 0.02 1 185 . 16 GLN HB3 H 1.92 0.02 1 186 . 16 GLN HG2 H 2.26 0.02 1 187 . 16 GLN HG3 H 2.26 0.02 1 188 . 16 GLN HE22 H 6.77 0.02 1 189 . 16 GLN HE21 H 7.37 0.02 1 190 . 16 GLN C C 174.9 0.3 1 191 . 16 GLN CA C 55.2 0.3 1 192 . 16 GLN CB C 30.2 0.3 1 193 . 16 GLN CG C 34.3 0.3 1 194 . 16 GLN CD C 180.2 0.3 1 195 . 16 GLN N N 118.9 0.2 1 196 . 16 GLN NE2 N 113.6 0.2 1 197 . 17 GLU H H 7.27 0.02 1 198 . 17 GLU HA H 4.51 0.02 1 199 . 17 GLU HB3 H 2.00 0.02 1 200 . 17 GLU HB2 H 1.67 0.02 1 201 . 17 GLU HG2 H 2.23 0.02 1 202 . 17 GLU HG3 H 2.23 0.02 1 203 . 17 GLU C C 175.9 0.3 1 204 . 17 GLU CA C 55.2 0.3 1 205 . 17 GLU CB C 31.7 0.3 1 206 . 17 GLU CG C 35.0 0.3 1 207 . 17 GLU N N 118.1 0.2 1 208 . 18 SER H H 8.63 0.02 1 209 . 18 SER HA H 4.26 0.02 1 210 . 18 SER HB2 H 3.88 0.02 1 211 . 18 SER HB3 H 3.88 0.02 1 212 . 18 SER C C 174.8 0.3 1 213 . 18 SER CA C 60.0 0.3 1 214 . 18 SER CB C 63.3 0.3 1 215 . 18 SER N N 119.2 0.2 1 216 . 19 GLY H H 8.80 0.02 1 217 . 19 GLY HA3 H 4.14 0.02 1 218 . 19 GLY HA2 H 3.99 0.02 1 219 . 19 GLY C C 174.0 0.3 1 220 . 19 GLY CA C 45.4 0.3 1 221 . 19 GLY N N 111.9 0.2 1 222 . 20 GLU H H 7.36 0.02 1 223 . 20 GLU HA H 5.23 0.02 1 224 . 20 GLU HB2 H 2.12 0.02 1 225 . 20 GLU HB3 H 2.12 0.02 1 226 . 20 GLU HG2 H 2.29 0.02 1 227 . 20 GLU HG3 H 2.29 0.02 1 228 . 20 GLU C C 174.5 0.3 1 229 . 20 GLU CA C 54.7 0.3 1 230 . 20 GLU CB C 31.1 0.3 1 231 . 20 GLU CG C 34.4 0.3 1 232 . 20 GLU N N 119.7 0.2 1 233 . 21 LEU H H 9.00 0.02 1 234 . 21 LEU HA H 4.30 0.02 1 235 . 21 LEU HB2 H 2.07 0.02 2 236 . 21 LEU HB3 H 0.96 0.02 2 237 . 21 LEU HG H 1.71 0.02 1 238 . 21 LEU HD1 H 0.89 0.02 2 239 . 21 LEU HD2 H 0.78 0.02 2 240 . 21 LEU C C 171.6 0.3 1 241 . 21 LEU CA C 54.5 0.3 1 242 . 21 LEU CB C 45.5 0.3 1 243 . 21 LEU CG C 26.5 0.3 1 244 . 21 LEU CD1 C 24.2 0.3 2 245 . 21 LEU CD2 C 26.5 0.3 2 246 . 21 LEU N N 128.0 0.2 1 247 . 22 ALA H H 7.63 0.02 1 248 . 22 ALA HA H 4.30 0.02 1 249 . 22 ALA HB H 1.35 0.02 1 250 . 22 ALA C C 177.3 0.3 1 251 . 22 ALA CA C 51.5 0.3 1 252 . 22 ALA CB C 20.6 0.3 1 253 . 22 ALA N N 125.5 0.2 1 254 . 23 PHE H H 8.18 0.02 1 255 . 23 PHE HA H 4.78 0.02 1 256 . 23 PHE HB2 H 3.27 0.02 1 257 . 23 PHE HB3 H 3.27 0.02 1 258 . 23 PHE HD1 H 6.65 0.02 1 259 . 23 PHE HD2 H 6.65 0.02 1 260 . 23 PHE HE1 H 6.76 0.02 1 261 . 23 PHE HE2 H 6.76 0.02 1 262 . 23 PHE HZ H 7.13 0.02 1 263 . 23 PHE C C 174.2 0.3 1 264 . 23 PHE CA C 56.5 0.3 1 265 . 23 PHE CB C 40.7 0.3 1 266 . 23 PHE CD1 C 127.6 0.3 1 267 . 23 PHE CD2 C 127.6 0.3 1 268 . 23 PHE CE1 C 133.5 0.3 1 269 . 23 PHE CE2 C 133.5 0.3 1 270 . 23 PHE CZ C 131.3 0.3 1 271 . 23 PHE N N 114.2 0.2 1 272 . 24 LYS H H 9.57 0.02 1 273 . 24 LYS HA H 4.97 0.02 1 274 . 24 LYS HB2 H 1.73 0.02 1 275 . 24 LYS HB3 H 1.73 0.02 1 276 . 24 LYS HG2 H 1.40 0.02 1 277 . 24 LYS HG3 H 1.40 0.02 1 278 . 24 LYS HD2 H 1.63 0.02 1 279 . 24 LYS HD3 H 1.63 0.02 1 280 . 24 LYS HE2 H 2.99 0.02 1 281 . 24 LYS HE3 H 2.99 0.02 1 282 . 24 LYS C C 175.1 0.3 1 283 . 24 LYS CA C 53.4 0.3 1 284 . 24 LYS CB C 35.5 0.3 1 285 . 24 LYS CG C 24.7 0.3 1 286 . 24 LYS CD C 28.9 0.3 1 287 . 24 LYS CE C 42.5 0.3 1 288 . 24 LYS N N 122.7 0.2 1 289 . 25 ARG H H 9.06 0.02 1 290 . 25 ARG HA H 3.22 0.02 1 291 . 25 ARG HB2 H 1.61 0.02 2 292 . 25 ARG HB3 H 1.43 0.02 2 293 . 25 ARG HG2 H 1.58 0.02 2 294 . 25 ARG HG3 H 1.28 0.02 2 295 . 25 ARG HD2 H 3.11 0.02 1 296 . 25 ARG HD3 H 3.11 0.02 1 297 . 25 ARG C C 176.1 0.3 1 298 . 25 ARG CA C 58.8 0.3 1 299 . 25 ARG CB C 30.2 0.3 1 300 . 25 ARG CG C 26.9 0.3 1 301 . 25 ARG CD C 43.7 0.3 1 302 . 25 ARG NE N 121.7 0.2 1 303 . 26 GLY H H 8.72 0.02 1 304 . 26 GLY HA2 H 4.42 0.02 2 305 . 26 GLY HA3 H 3.43 0.02 2 306 . 26 GLY C C 174.3 0.3 1 307 . 26 GLY CA C 44.9 0.3 1 308 . 26 GLY N N 116.1 0.2 1 309 . 27 ASP H H 8.42 0.02 1 310 . 27 ASP HA H 4.44 0.02 1 311 . 27 ASP HB2 H 2.73 0.02 2 312 . 27 ASP HB3 H 2.32 0.02 2 313 . 27 ASP C C 174.6 0.3 1 314 . 27 ASP CA C 56.2 0.3 1 315 . 27 ASP CB C 41.7 0.3 1 316 . 27 ASP N N 124.5 0.2 1 317 . 28 VAL H H 8.25 0.02 1 318 . 28 VAL HA H 4.15 0.02 1 319 . 28 VAL HB H 1.61 0.02 1 320 . 28 VAL HG1 H 0.27 0.02 2 321 . 28 VAL HG2 H 0.22 0.02 2 322 . 28 VAL C C 174.6 0.3 1 323 . 28 VAL CA C 62.8 0.3 1 324 . 28 VAL CB C 31.7 0.3 1 325 . 28 VAL CG1 C 21.4 0.3 2 326 . 28 VAL CG2 C 20.5 0.3 2 327 . 28 VAL N N 122.2 0.2 1 328 . 29 ILE H H 9.09 0.02 1 329 . 29 ILE HA H 4.02 0.02 1 330 . 29 ILE HB H 1.23 0.02 1 331 . 29 ILE HG13 H 1.01 0.02 1 332 . 29 ILE HG12 H 0.42 0.02 1 333 . 29 ILE HG2 H 0.53 0.02 1 334 . 29 ILE HD1 H -0.48 0.02 1 335 . 29 ILE C C 175.3 0.3 1 336 . 29 ILE CA C 60.9 0.3 1 337 . 29 ILE CB C 42.1 0.3 1 338 . 29 ILE CG1 C 29.4 0.3 1 339 . 29 ILE CG2 C 18.1 0.3 1 340 . 29 ILE CD1 C 14.6 0.3 1 341 . 29 ILE N N 132.1 0.2 1 342 . 30 THR H H 8.96 0.02 1 343 . 30 THR HA H 4.44 0.02 1 344 . 30 THR HB H 4.24 0.02 1 345 . 30 THR HG2 H 1.02 0.02 1 346 . 30 THR C C 173.6 0.3 1 347 . 30 THR CA C 63.3 0.3 1 348 . 30 THR CB C 69.6 0.3 1 349 . 30 THR CG2 C 21.1 0.3 1 350 . 30 THR N N 125.3 0.2 1 351 . 31 LEU H H 8.87 0.02 1 352 . 31 LEU HA H 4.31 0.02 1 353 . 31 LEU HB2 H 1.45 0.02 2 354 . 31 LEU HB3 H 1.31 0.02 2 355 . 31 LEU HG H 1.29 0.02 1 356 . 31 LEU HD2 H 0.61 0.02 1 357 . 31 LEU HD1 H 0.72 0.02 1 358 . 31 LEU C C 175.1 0.3 1 359 . 31 LEU CA C 56.0 0.3 1 360 . 31 LEU CB C 43.3 0.3 1 361 . 31 LEU CG C 27.2 0.3 1 362 . 31 LEU CD2 C 25.1 0.3 1 363 . 31 LEU CD1 C 24.9 0.3 1 364 . 31 LEU N N 131.1 0.2 1 365 . 32 ILE H H 9.07 0.02 1 366 . 32 ILE HA H 4.10 0.02 1 367 . 32 ILE HB H 1.30 0.02 1 368 . 32 ILE HG13 H 1.31 0.02 1 369 . 32 ILE HG12 H 1.15 0.02 1 370 . 32 ILE HG2 H 0.79 0.02 1 371 . 32 ILE HD1 H 0.73 0.02 1 372 . 32 ILE C C 175.3 0.3 1 373 . 32 ILE CA C 62.0 0.3 1 374 . 32 ILE CB C 39.3 0.3 1 375 . 32 ILE CG1 C 27.7 0.3 1 376 . 32 ILE CG2 C 17.1 0.3 1 377 . 32 ILE CD1 C 12.1 0.3 1 378 . 32 ILE N N 126.1 0.2 1 379 . 33 ASN H H 7.78 0.02 1 380 . 33 ASN HA H 4.62 0.02 1 381 . 33 ASN HB2 H 2.71 0.02 1 382 . 33 ASN HB3 H 2.71 0.02 1 383 . 33 ASN HD22 H 6.93 0.02 1 384 . 33 ASN HD21 H 7.68 0.02 1 385 . 33 ASN C C 172.3 0.3 1 386 . 33 ASN CA C 54.5 0.3 1 387 . 33 ASN CB C 42.4 0.3 1 388 . 33 ASN CG C 175.7 0.3 1 389 . 33 ASN N N 116.2 0.2 1 390 . 33 ASN ND2 N 115.6 0.2 1 391 . 34 LYS H H 8.71 0.02 1 392 . 34 LYS HA H 4.34 0.02 1 393 . 34 LYS HB3 H 0.56 0.02 1 394 . 34 LYS HB2 H 0.33 0.02 1 395 . 34 LYS HG3 H 0.66 0.02 1 396 . 34 LYS HG2 H 0.35 0.02 1 397 . 34 LYS HD2 H 0.94 0.02 1 398 . 34 LYS HD3 H 0.94 0.02 1 399 . 34 LYS HE3 H 2.39 0.02 1 400 . 34 LYS HE2 H 2.08 0.02 1 401 . 34 LYS C C 174.6 0.3 1 402 . 34 LYS CA C 54.6 0.3 1 403 . 34 LYS CB C 30.3 0.3 1 404 . 34 LYS CG C 22.4 0.3 1 405 . 34 LYS CD C 29.4 0.3 1 406 . 34 LYS CE C 41.5 0.3 1 407 . 34 LYS N N 124.6 0.2 1 408 . 35 ASP H H 8.26 0.02 1 409 . 35 ASP HA H 4.19 0.02 1 410 . 35 ASP HB2 H 2.69 0.02 1 411 . 35 ASP HB3 H 2.69 0.02 1 412 . 35 ASP C C 176.4 0.3 1 413 . 35 ASP CA C 54.7 0.3 1 414 . 35 ASP CB C 40.5 0.3 1 415 . 35 ASP N N 122.8 0.2 1 416 . 36 ASP H H 8.59 0.02 1 417 . 36 ASP HA H 4.99 0.02 1 418 . 36 ASP HB3 H 3.54 0.02 1 419 . 36 ASP HB2 H 2.61 0.02 1 420 . 36 ASP C C 173.8 0.3 1 421 . 36 ASP CA C 51.4 0.3 1 422 . 36 ASP CB C 43.9 0.3 1 423 . 36 ASP N N 123.6 0.2 1 424 . 37 PRO HA H 4.59 0.02 1 425 . 37 PRO HB3 H 2.34 0.02 1 426 . 37 PRO HB2 H 1.83 0.02 1 427 . 37 PRO HG2 H 1.99 0.02 1 428 . 37 PRO HG3 H 1.99 0.02 1 429 . 37 PRO HD2 H 3.79 0.02 1 430 . 37 PRO HD3 H 3.79 0.02 1 431 . 37 PRO C C 177.6 0.3 1 432 . 37 PRO CA C 64.4 0.3 1 433 . 37 PRO CB C 32.5 0.3 1 434 . 37 PRO CG C 27.6 0.3 1 435 . 37 PRO CD C 50.7 0.3 1 436 . 38 ASN H H 8.63 0.02 1 437 . 38 ASN HA H 4.48 0.02 1 438 . 38 ASN HB3 H 2.76 0.02 1 439 . 38 ASN HB2 H 2.36 0.02 1 440 . 38 ASN HD21 H 6.99 0.02 2 441 . 38 ASN HD22 H 7.92 0.02 2 442 . 38 ASN C C 174.3 0.3 1 443 . 38 ASN CA C 54.6 0.3 1 444 . 38 ASN CB C 41.4 0.3 1 445 . 38 ASN CG C 176.2 0.3 1 446 . 38 ASN N N 115.6 0.2 1 447 . 38 ASN ND2 N 115.6 0.2 1 448 . 39 TRP H H 8.32 0.02 1 449 . 39 TRP HA H 4.80 0.02 1 450 . 39 TRP HB2 H 2.82 0.02 1 451 . 39 TRP HB3 H 2.82 0.02 1 452 . 39 TRP HD1 H 7.12 0.02 1 453 . 39 TRP HE1 H 9.94 0.02 1 454 . 39 TRP HE3 H 7.00 0.02 4 455 . 39 TRP HZ2 H 7.37 0.02 1 456 . 39 TRP HZ3 H 7.12 0.02 1 457 . 39 TRP HH2 H 6.69 0.02 4 458 . 39 TRP C C 174.0 0.3 1 459 . 39 TRP CA C 56.2 0.3 1 460 . 39 TRP CB C 31.0 0.3 1 461 . 39 TRP CD1 C 127.5 0.3 1 462 . 39 TRP CE3 C 120.1 0.3 4 463 . 39 TRP CZ2 C 114.7 0.3 1 464 . 39 TRP CZ3 C 124.5 0.3 1 465 . 39 TRP CH2 C 120.0 0.3 4 466 . 39 TRP N N 124.7 0.2 1 467 . 39 TRP NE1 N 129.4 0.2 1 468 . 40 TRP H H 8.16 0.02 1 469 . 40 TRP HA H 5.09 0.02 1 470 . 40 TRP HB3 H 2.77 0.02 1 471 . 40 TRP HB2 H 2.04 0.02 1 472 . 40 TRP HD1 H 7.34 0.02 1 473 . 40 TRP HE1 H 9.35 0.02 1 474 . 40 TRP HE3 H 7.23 0.02 4 475 . 40 TRP HZ2 H 7.97 0.02 1 476 . 40 TRP HZ3 H 7.14 0.02 1 477 . 40 TRP HH2 H 6.83 0.02 4 478 . 40 TRP C C 172.3 0.3 1 479 . 40 TRP CA C 53.1 0.3 1 480 . 40 TRP CB C 32.5 0.3 1 481 . 40 TRP CD1 C 125.4 0.3 1 482 . 40 TRP CE3 C 119.8 0.3 4 483 . 40 TRP CZ2 C 114.6 0.3 1 484 . 40 TRP CZ3 C 124.4 0.3 1 485 . 40 TRP CH2 C 121.1 0.3 4 486 . 40 TRP N N 127.2 0.2 1 487 . 40 TRP NE1 N 130.0 0.2 1 488 . 41 GLU H H 8.70 0.02 1 489 . 41 GLU HA H 5.15 0.02 1 490 . 41 GLU HB2 H 1.96 0.02 1 491 . 41 GLU HB3 H 1.96 0.02 1 492 . 41 GLU HG3 H 2.23 0.02 1 493 . 41 GLU HG2 H 2.12 0.02 1 494 . 41 GLU C C 176.3 0.3 1 495 . 41 GLU CA C 54.5 0.3 1 496 . 41 GLU CB C 32.6 0.3 1 497 . 41 GLU CG C 35.4 0.3 1 498 . 41 GLU N N 119.5 0.2 1 499 . 42 GLY H H 9.37 0.02 1 500 . 42 GLY HA2 H 5.22 0.02 2 501 . 42 GLY HA3 H 3.82 0.02 2 502 . 42 GLY C C 169.0 0.3 1 503 . 42 GLY CA C 45.8 0.3 1 504 . 42 GLY N N 115.3 0.2 1 505 . 43 GLN H H 9.04 0.02 1 506 . 43 GLN HA H 5.58 0.02 1 507 . 43 GLN HB2 H 1.99 0.02 2 508 . 43 GLN HB3 H 1.86 0.02 2 509 . 43 GLN HG2 H 2.25 0.02 1 510 . 43 GLN HG3 H 2.25 0.02 1 511 . 43 GLN HE22 H 6.83 0.02 1 512 . 43 GLN HE21 H 7.44 0.02 1 513 . 43 GLN C C 173.0 0.3 1 514 . 43 GLN CA C 54.3 0.3 1 515 . 43 GLN CB C 33.3 0.3 1 516 . 43 GLN CG C 33.6 0.3 1 517 . 43 GLN CD C 179.3 0.3 1 518 . 43 GLN N N 119.7 0.2 1 519 . 43 GLN NE2 N 111.4 0.2 1 520 . 44 LEU H H 8.92 0.02 1 521 . 44 LEU HA H 4.72 0.02 1 522 . 44 LEU HB2 H 1.83 0.02 2 523 . 44 LEU HB3 H 1.39 0.02 2 524 . 44 LEU HG H 1.48 0.02 1 525 . 44 LEU HD1 H 1.01 0.02 2 526 . 44 LEU HD2 H 0.91 0.02 2 527 . 44 LEU C C 175.3 0.3 1 528 . 44 LEU CA C 54.5 0.3 1 529 . 44 LEU CB C 46.2 0.3 1 530 . 44 LEU CG C 27.6 0.3 1 531 . 44 LEU CD1 C 27.2 0.3 1 532 . 44 LEU CD2 C 23.9 0.3 1 533 . 44 LEU N N 128.0 0.2 1 534 . 45 ASN H H 9.73 0.02 1 535 . 45 ASN HA H 4.30 0.02 1 536 . 45 ASN HB2 H 2.93 0.02 1 537 . 45 ASN HB3 H 2.93 0.02 1 538 . 45 ASN HD22 H 7.08 0.02 1 539 . 45 ASN HD21 H 7.66 0.02 1 540 . 45 ASN C C 173.9 0.3 1 541 . 45 ASN CA C 55.2 0.3 1 542 . 45 ASN CB C 37.3 0.3 1 543 . 45 ASN CG C 176.8 0.3 1 544 . 45 ASN N N 127.8 0.2 1 545 . 45 ASN ND2 N 114.4 0.2 1 546 . 46 ASN H H 8.79 0.02 1 547 . 46 ASN HA H 4.45 0.02 1 548 . 46 ASN HB2 H 2.99 0.02 1 549 . 46 ASN HB3 H 2.99 0.02 1 550 . 46 ASN HD22 H 6.93 0.02 1 551 . 46 ASN HD21 H 7.57 0.02 1 552 . 46 ASN C C 173.7 0.3 1 553 . 46 ASN CA C 54.9 0.3 1 554 . 46 ASN CB C 37.6 0.3 1 555 . 46 ASN CG C 177.9 0.3 1 556 . 46 ASN N N 114.7 0.2 1 557 . 46 ASN ND2 N 113.9 0.2 1 558 . 47 ARG H H 8.10 0.02 1 559 . 47 ARG HA H 4.68 0.02 1 560 . 47 ARG HB2 H 2.00 0.02 2 561 . 47 ARG HB3 H 1.83 0.02 2 562 . 47 ARG HG2 H 1.75 0.02 2 563 . 47 ARG HG3 H 1.67 0.02 2 564 . 47 ARG HD2 H 3.33 0.02 1 565 . 47 ARG HD3 H 3.33 0.02 1 566 . 47 ARG C C 173.6 0.3 1 567 . 47 ARG CA C 55.6 0.3 1 568 . 47 ARG CB C 32.7 0.3 1 569 . 47 ARG CG C 28.2 0.3 1 570 . 47 ARG CD C 43.5 0.3 1 571 . 47 ARG N N 121.6 0.2 1 572 . 48 ARG H H 8.50 0.02 1 573 . 48 ARG HA H 5.63 0.02 1 574 . 48 ARG HB2 H 1.80 0.02 2 575 . 48 ARG HB3 H 1.73 0.02 2 576 . 48 ARG HG2 H 1.62 0.02 1 577 . 48 ARG HG3 H 1.62 0.02 1 578 . 48 ARG HD2 H 3.09 0.02 1 579 . 48 ARG HD3 H 3.09 0.02 1 580 . 48 ARG C C 175.6 0.3 1 581 . 48 ARG CA C 54.6 0.3 1 582 . 48 ARG CB C 34.6 0.3 1 583 . 48 ARG CG C 27.2 0.3 1 584 . 48 ARG CD C 44.0 0.3 1 585 . 48 ARG N N 121.6 0.2 1 586 . 49 GLY H H 8.72 0.02 1 587 . 49 GLY HA2 H 4.30 0.02 2 588 . 49 GLY HA3 H 4.04 0.02 2 589 . 49 GLY C C 171.3 0.3 1 590 . 49 GLY CA C 45.8 0.3 1 591 . 49 GLY N N 110.5 0.2 1 592 . 50 ILE H H 8.42 0.02 1 593 . 50 ILE HA H 6.11 0.02 1 594 . 50 ILE HB H 1.99 0.02 1 595 . 50 ILE HG12 H 1.43 0.02 2 596 . 50 ILE HG13 H 1.16 0.02 2 597 . 50 ILE HG2 H 0.88 0.02 1 598 . 50 ILE HD1 H 0.40 0.02 1 599 . 50 ILE C C 176.6 0.3 1 600 . 50 ILE CA C 60.2 0.3 1 601 . 50 ILE CB C 41.8 0.3 1 602 . 50 ILE CG1 C 26.3 0.3 1 603 . 50 ILE CG2 C 17.5 0.3 1 604 . 50 ILE CD1 C 13.4 0.3 1 605 . 50 ILE N N 114.2 0.2 1 606 . 51 PHE H H 8.94 0.02 1 607 . 51 PHE HA H 5.13 0.02 1 608 . 51 PHE HB2 H 3.47 0.02 2 609 . 51 PHE HB3 H 2.77 0.02 2 610 . 51 PHE HD1 H 7.05 0.02 1 611 . 51 PHE HD2 H 7.05 0.02 1 612 . 51 PHE HE1 H 6.95 0.02 1 613 . 51 PHE HE2 H 6.95 0.02 1 614 . 51 PHE HZ H 6.99 0.02 1 615 . 51 PHE C C 169.9 0.3 1 616 . 51 PHE CA C 55.8 0.3 1 617 . 51 PHE CB C 39.6 0.3 1 618 . 51 PHE CD1 C 134.0 0.3 1 619 . 51 PHE CD2 C 134.0 0.3 1 620 . 51 PHE CE1 C 130.1 0.3 1 621 . 51 PHE CE2 C 130.1 0.3 1 622 . 51 PHE CZ C 127.8 0.3 1 623 . 51 PHE N N 118.4 0.2 1 624 . 52 PRO HA H 3.68 0.02 1 625 . 52 PRO HB2 H 1.26 0.02 1 626 . 52 PRO HB3 H 1.26 0.02 1 627 . 52 PRO HG2 H 0.52 0.02 1 628 . 52 PRO HG3 H 0.52 0.02 1 629 . 52 PRO HD2 H 2.55 0.02 2 630 . 52 PRO HD3 H 2.05 0.02 2 631 . 52 PRO CA C 61.4 0.3 1 632 . 52 PRO CB C 31.1 0.3 1 633 . 52 PRO CG C 27.4 0.3 1 634 . 52 PRO CD C 50.7 0.3 1 635 . 53 SER H H 7.72 0.02 1 636 . 53 SER HA H 2.72 0.02 1 637 . 53 SER HB2 H 1.73 0.02 2 638 . 53 SER HB3 H 1.32 0.02 2 639 . 53 SER C C 174.1 0.3 1 640 . 53 SER CA C 60.1 0.3 1 641 . 53 SER CB C 60.7 0.3 1 642 . 53 SER N N 122.2 0.2 1 643 . 54 ASN H H 7.89 0.02 1 644 . 54 ASN HA H 4.57 0.02 1 645 . 54 ASN HB3 H 2.94 0.02 1 646 . 54 ASN HB2 H 2.63 0.02 1 647 . 54 ASN HD22 H 6.50 0.02 1 648 . 54 ASN HD21 H 7.36 0.02 1 649 . 54 ASN C C 174.9 0.3 1 650 . 54 ASN CA C 53.6 0.3 1 651 . 54 ASN CB C 36.5 0.3 1 652 . 54 ASN CG C 176.5 0.3 1 653 . 54 ASN N N 116.1 0.2 1 654 . 54 ASN ND2 N 111.4 0.2 1 655 . 55 TYR H H 7.85 0.02 1 656 . 55 TYR HA H 4.76 0.02 1 657 . 55 TYR HB3 H 3.53 0.02 1 658 . 55 TYR HB2 H 3.44 0.02 1 659 . 55 TYR HD1 H 6.95 0.02 1 660 . 55 TYR HD2 H 6.95 0.02 1 661 . 55 TYR HE1 H 6.80 0.02 1 662 . 55 TYR HE2 H 6.80 0.02 1 663 . 55 TYR C C 174.6 0.3 1 664 . 55 TYR CA C 58.5 0.3 1 665 . 55 TYR CB C 38.9 0.3 1 666 . 55 TYR CD1 C 131.3 0.3 1 667 . 55 TYR CD2 C 131.3 0.3 1 668 . 55 TYR CE1 C 118.5 0.3 1 669 . 55 TYR CE2 C 118.5 0.3 1 670 . 55 TYR N N 120.0 0.2 1 671 . 56 VAL H H 7.24 0.02 1 672 . 56 VAL HA H 5.34 0.02 1 673 . 56 VAL HB H 1.86 0.02 1 674 . 56 VAL HG2 H 1.01 0.02 1 675 . 56 VAL HG1 H 0.32 0.02 1 676 . 56 VAL C C 172.6 0.3 1 677 . 56 VAL CA C 58.6 0.3 1 678 . 56 VAL CB C 36.7 0.3 1 679 . 56 VAL CG1 C 21.6 0.3 1 680 . 56 VAL CG2 C 21.6 0.3 1 681 . 56 VAL N N 109.4 0.2 1 682 . 57 ALA H H 8.61 0.02 1 683 . 57 ALA HA H 5.04 0.02 1 684 . 57 ALA HB H 1.38 0.02 1 685 . 57 ALA C C 173.7 0.3 1 686 . 57 ALA CA C 49.5 0.3 1 687 . 57 ALA CB C 21.5 0.3 1 688 . 57 ALA N N 123.3 0.2 1 689 . 58 PRO HA H 4.49 0.02 1 690 . 58 PRO HB3 H 2.47 0.02 1 691 . 58 PRO HB2 H 1.90 0.02 1 692 . 58 PRO HG3 H 2.20 0.02 1 693 . 58 PRO HG2 H 2.04 0.02 1 694 . 58 PRO HD2 H 3.99 0.02 2 695 . 58 PRO HD3 H 3.67 0.02 2 696 . 58 PRO C C 174.9 0.3 1 697 . 58 PRO CA C 64.5 0.3 1 698 . 58 PRO CB C 32.6 0.3 1 699 . 58 PRO CG C 28.4 0.3 1 700 . 58 PRO CD C 51.0 0.3 1 701 . 59 TYR H H 8.08 0.02 1 702 . 59 TYR HA H 4.68 0.02 1 703 . 59 TYR HB3 H 2.60 0.02 1 704 . 59 TYR HB2 H 2.54 0.02 1 705 . 59 TYR HD1 H 6.81 0.02 1 706 . 59 TYR HD2 H 6.81 0.02 1 707 . 59 TYR HE1 H 6.57 0.02 1 708 . 59 TYR HE2 H 6.57 0.02 1 709 . 59 TYR C C 173.2 0.3 1 710 . 59 TYR CA C 57.2 0.3 1 711 . 59 TYR CB C 40.8 0.3 1 712 . 59 TYR CD1 C 132.9 0.3 1 713 . 59 TYR CD2 C 132.9 0.3 1 714 . 59 TYR CE1 C 118.7 0.3 1 715 . 59 TYR CE2 C 118.7 0.3 1 716 . 59 TYR N N 125.3 0.2 1 717 . 60 ASN H H 8.20 0.02 1 718 . 60 ASN HA H 4.63 0.02 1 719 . 60 ASN HB2 H 2.68 0.02 2 720 . 60 ASN HB3 H 2.44 0.02 2 721 . 60 ASN HD21 H 6.76 0.02 2 722 . 60 ASN HD22 H 7.43 0.02 2 723 . 60 ASN C C 173.3 0.3 1 724 . 60 ASN CA C 53.0 0.3 1 725 . 60 ASN CB C 39.7 0.3 1 726 . 60 ASN CG C 176.4 0.3 1 727 . 60 ASN N N 126.9 0.2 1 728 . 60 ASN ND2 N 113.3 0.2 1 729 . 61 SER H H 7.85 0.02 1 730 . 61 SER HA H 4.22 0.02 1 731 . 61 SER HB2 H 3.70 0.02 1 732 . 61 SER HB3 H 3.70 0.02 1 733 . 61 SER C C 172.8 0.3 1 734 . 61 SER CA C 58.2 0.3 1 735 . 61 SER CB C 64.1 0.3 1 736 . 61 SER N N 117.2 0.2 1 737 . 62 ASN H H 8.00 0.02 1 738 . 62 ASN HA H 4.43 0.02 1 739 . 62 ASN HB2 H 2.70 0.02 2 740 . 62 ASN HB3 H 2.62 0.02 2 741 . 62 ASN HD21 H 6.74 0.02 2 742 . 62 ASN HD22 H 7.41 0.02 2 743 . 62 ASN C C 178.9 0.3 1 744 . 62 ASN CA C 55.0 0.3 1 745 . 62 ASN CB C 40.4 0.3 1 746 . 62 ASN CG C 177.9 0.3 1 747 . 62 ASN N N 126.6 0.2 1 748 . 62 ASN ND2 N 113.3 0.2 1 stop_ save_