data_11257 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Mouse Ubiquitin-like 3 Protein ; _BMRB_accession_number 11257 _BMRB_flat_file_name bmr11257.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Zhao C. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 592 "13C chemical shifts" 445 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-17 original author . stop_ _Original_release_date 2011-08-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Mouse Ubiquitin-like 3 Protein' _Citation_status 'in preparation' _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 Zhao C. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ubiquitin-like 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ubiquitin-like Fold' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ubiquitin-like Fold' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; GSSGSSGMSSHVPADMINLR LILVSGKTKEFLFSPNDSAS DIAKHVYDNWPMDWEEEQVS SPNILRLIYQGRFLHGNVTL GALKLPFGKTTVMHLVARET LPEPNSQGQRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 SER 10 SER 11 HIS 12 VAL 13 PRO 14 ALA 15 ASP 16 MET 17 ILE 18 ASN 19 LEU 20 ARG 21 LEU 22 ILE 23 LEU 24 VAL 25 SER 26 GLY 27 LYS 28 THR 29 LYS 30 GLU 31 PHE 32 LEU 33 PHE 34 SER 35 PRO 36 ASN 37 ASP 38 SER 39 ALA 40 SER 41 ASP 42 ILE 43 ALA 44 LYS 45 HIS 46 VAL 47 TYR 48 ASP 49 ASN 50 TRP 51 PRO 52 MET 53 ASP 54 TRP 55 GLU 56 GLU 57 GLU 58 GLN 59 VAL 60 SER 61 SER 62 PRO 63 ASN 64 ILE 65 LEU 66 ARG 67 LEU 68 ILE 69 TYR 70 GLN 71 GLY 72 ARG 73 PHE 74 LEU 75 HIS 76 GLY 77 ASN 78 VAL 79 THR 80 LEU 81 GLY 82 ALA 83 LEU 84 LYS 85 LEU 86 PRO 87 PHE 88 GLY 89 LYS 90 THR 91 THR 92 VAL 93 MET 94 HIS 95 LEU 96 VAL 97 ALA 98 ARG 99 GLU 100 THR 101 LEU 102 PRO 103 GLU 104 PRO 105 ASN 106 SER 107 GLN 108 GLY 109 GLN 110 ARG 111 SER 112 GLY 113 PRO 114 SER 115 SER 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WGH "Solution Structure Of Mouse Ubiquitin-Like 3 Protein" 100.00 116 100.00 100.00 2.72e-78 GB EMP31155 "Ubiquitin-like protein 3, partial [Chelonia mydas]" 78.45 339 98.90 100.00 1.95e-57 GB KFO80335 "Ubiquitin-like 3, partial [Cuculus canorus]" 81.90 109 97.89 100.00 1.45e-62 REF XP_009564834 "PREDICTED: ubiquitin-like protein 3 [Cuculus canorus]" 81.90 208 97.89 100.00 1.05e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P030414-75 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM PiNa {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% {H2O;} 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . PiNa 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.8996 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . indirect . . . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Ubiquitin-like Fold' _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 3 3 SER C C 175.111 0.300 1 2 3 3 SER CA C 58.695 0.300 1 3 3 3 SER CB C 63.769 0.300 1 4 4 4 GLY H H 8.427 0.030 1 5 4 4 GLY C C 174.307 0.300 1 6 4 4 GLY CA C 45.434 0.300 1 7 4 4 GLY N N 110.680 0.300 1 8 5 5 SER H H 8.295 0.030 1 9 5 5 SER C C 174.860 0.300 1 10 5 5 SER CA C 58.385 0.300 1 11 5 5 SER CB C 64.004 0.300 1 12 5 5 SER N N 115.825 0.300 1 13 6 6 SER H H 8.582 0.030 1 14 6 6 SER HA H 4.481 0.030 1 15 6 6 SER HB2 H 3.896 0.030 1 16 6 6 SER HB3 H 3.896 0.030 1 17 6 6 SER C C 175.066 0.300 1 18 6 6 SER CA C 58.623 0.300 1 19 6 6 SER CB C 63.686 0.300 1 20 6 6 SER N N 118.223 0.300 1 21 7 7 GLY H H 8.482 0.030 1 22 7 7 GLY HA2 H 3.953 0.030 1 23 7 7 GLY HA3 H 3.953 0.030 1 24 7 7 GLY C C 174.319 0.300 1 25 7 7 GLY CA C 45.453 0.300 1 26 7 7 GLY N N 110.958 0.300 1 27 8 8 MET H H 8.201 0.030 1 28 8 8 MET HA H 4.525 0.030 1 29 8 8 MET HB2 H 2.005 0.030 2 30 8 8 MET HB3 H 2.111 0.030 2 31 8 8 MET HG2 H 2.603 0.030 2 32 8 8 MET HG3 H 2.525 0.030 2 33 8 8 MET C C 176.472 0.300 1 34 8 8 MET CA C 55.546 0.300 1 35 8 8 MET CB C 33.107 0.300 1 36 8 8 MET CG C 32.027 0.300 1 37 8 8 MET N N 119.876 0.300 1 38 9 9 SER H H 8.435 0.030 1 39 9 9 SER HA H 4.491 0.030 1 40 9 9 SER HB2 H 3.899 0.030 1 41 9 9 SER HB3 H 3.899 0.030 1 42 9 9 SER C C 174.580 0.300 1 43 9 9 SER CA C 58.424 0.300 1 44 9 9 SER CB C 63.867 0.300 1 45 9 9 SER N N 117.315 0.300 1 46 10 10 SER H H 8.320 0.030 1 47 10 10 SER HA H 4.399 0.030 1 48 10 10 SER HB2 H 3.780 0.030 1 49 10 10 SER HB3 H 3.780 0.030 1 50 10 10 SER C C 174.008 0.300 1 51 10 10 SER CA C 58.338 0.300 1 52 10 10 SER CB C 63.770 0.300 1 53 10 10 SER N N 117.740 0.300 1 54 11 11 HIS H H 8.389 0.030 1 55 11 11 HIS HA H 4.656 0.030 1 56 11 11 HIS HB2 H 3.096 0.030 1 57 11 11 HIS HB3 H 3.096 0.030 1 58 11 11 HIS HD2 H 7.102 0.030 1 59 11 11 HIS HE1 H 8.241 0.030 1 60 11 11 HIS C C 174.076 0.300 1 61 11 11 HIS CA C 55.693 0.300 1 62 11 11 HIS CB C 29.831 0.300 1 63 11 11 HIS CD2 C 120.149 0.300 1 64 11 11 HIS CE1 C 137.241 0.300 1 65 11 11 HIS N N 121.029 0.300 1 66 12 12 VAL H H 8.156 0.030 1 67 12 12 VAL HA H 4.198 0.030 1 68 12 12 VAL HB H 1.789 0.030 1 69 12 12 VAL HG1 H 0.721 0.030 1 70 12 12 VAL HG2 H 0.839 0.030 1 71 12 12 VAL C C 173.831 0.300 1 72 12 12 VAL CA C 59.894 0.300 1 73 12 12 VAL CB C 33.337 0.300 1 74 12 12 VAL CG1 C 21.180 0.300 2 75 12 12 VAL CG2 C 20.871 0.300 2 76 12 12 VAL N N 125.049 0.300 1 77 13 13 PRO HA H 4.338 0.030 1 78 13 13 PRO HB2 H 2.456 0.030 2 79 13 13 PRO HB3 H 1.782 0.030 2 80 13 13 PRO HD2 H 3.412 0.030 2 81 13 13 PRO HD3 H 3.969 0.030 2 82 13 13 PRO HG2 H 2.084 0.030 2 83 13 13 PRO HG3 H 1.969 0.030 2 84 13 13 PRO C C 176.853 0.300 1 85 13 13 PRO CA C 63.329 0.300 1 86 13 13 PRO CB C 32.541 0.300 1 87 13 13 PRO CD C 51.604 0.300 1 88 13 13 PRO CG C 27.810 0.300 1 89 14 14 ALA H H 8.404 0.030 1 90 14 14 ALA HA H 4.062 0.030 1 91 14 14 ALA HB H 1.439 0.030 1 92 14 14 ALA C C 176.921 0.300 1 93 14 14 ALA CA C 54.050 0.300 1 94 14 14 ALA CB C 19.090 0.300 1 95 14 14 ALA N N 122.139 0.300 1 96 15 15 ASP H H 8.250 0.030 1 97 15 15 ASP HA H 4.381 0.030 1 98 15 15 ASP HB2 H 2.822 0.030 2 99 15 15 ASP HB3 H 2.434 0.030 2 100 15 15 ASP C C 174.975 0.300 1 101 15 15 ASP CA C 52.563 0.300 1 102 15 15 ASP CB C 40.128 0.300 1 103 15 15 ASP N N 113.660 0.300 1 104 16 16 MET H H 7.561 0.030 1 105 16 16 MET HA H 5.044 0.030 1 106 16 16 MET HB2 H 2.052 0.030 2 107 16 16 MET HB3 H 1.715 0.030 2 108 16 16 MET HE H 1.893 0.030 1 109 16 16 MET HG2 H 2.467 0.030 2 110 16 16 MET HG3 H 2.536 0.030 2 111 16 16 MET C C 173.844 0.300 1 112 16 16 MET CA C 53.513 0.300 1 113 16 16 MET CB C 36.607 0.300 1 114 16 16 MET CE C 17.738 0.300 1 115 16 16 MET CG C 32.920 0.300 1 116 16 16 MET N N 116.127 0.300 1 117 17 17 ILE H H 8.864 0.030 1 118 17 17 ILE HA H 4.153 0.030 1 119 17 17 ILE HB H 1.466 0.030 1 120 17 17 ILE HD1 H 0.535 0.030 1 121 17 17 ILE HG12 H 0.894 0.030 2 122 17 17 ILE HG13 H 1.230 0.030 2 123 17 17 ILE HG2 H 0.854 0.030 1 124 17 17 ILE C C 173.844 0.300 1 125 17 17 ILE CA C 60.820 0.300 1 126 17 17 ILE CB C 41.543 0.300 1 127 17 17 ILE CD1 C 14.954 0.300 1 128 17 17 ILE CG1 C 28.314 0.300 1 129 17 17 ILE CG2 C 18.021 0.300 1 130 17 17 ILE N N 120.583 0.300 1 131 18 18 ASN H H 7.679 0.030 1 132 18 18 ASN HA H 5.364 0.030 1 133 18 18 ASN HB2 H 2.817 0.030 2 134 18 18 ASN HB3 H 2.256 0.030 2 135 18 18 ASN HD21 H 7.413 0.030 2 136 18 18 ASN HD22 H 6.722 0.030 2 137 18 18 ASN C C 173.328 0.300 1 138 18 18 ASN CA C 52.195 0.300 1 139 18 18 ASN CB C 40.941 0.300 1 140 18 18 ASN N N 125.295 0.300 1 141 18 18 ASN ND2 N 112.873 0.300 1 142 19 19 LEU H H 9.512 0.030 1 143 19 19 LEU HA H 5.467 0.030 1 144 19 19 LEU HB2 H 1.875 0.030 2 145 19 19 LEU HB3 H 1.671 0.030 2 146 19 19 LEU HD1 H 0.907 0.030 1 147 19 19 LEU HD2 H 0.814 0.030 1 148 19 19 LEU HG H 1.744 0.030 1 149 19 19 LEU C C 175.478 0.300 1 150 19 19 LEU CA C 52.678 0.300 1 151 19 19 LEU CB C 44.785 0.300 1 152 19 19 LEU CD1 C 25.627 0.300 2 153 19 19 LEU CD2 C 25.003 0.300 2 154 19 19 LEU CG C 27.186 0.300 1 155 19 19 LEU N N 127.697 0.300 1 156 20 20 ARG H H 8.908 0.030 1 157 20 20 ARG HA H 4.623 0.030 1 158 20 20 ARG HB2 H 1.436 0.030 2 159 20 20 ARG HB3 H 1.728 0.030 2 160 20 20 ARG HD2 H 3.139 0.030 2 161 20 20 ARG HD3 H 3.232 0.030 2 162 20 20 ARG HE H 7.590 0.030 1 163 20 20 ARG HG2 H 1.375 0.030 2 164 20 20 ARG HG3 H 1.316 0.030 2 165 20 20 ARG C C 173.532 0.300 1 166 20 20 ARG CA C 55.197 0.300 1 167 20 20 ARG CB C 31.551 0.300 1 168 20 20 ARG CD C 43.400 0.300 1 169 20 20 ARG CG C 28.122 0.300 1 170 20 20 ARG N N 125.887 0.300 1 171 20 20 ARG NE N 83.991 0.300 1 172 21 21 LEU H H 8.861 0.030 1 173 21 21 LEU HA H 5.353 0.030 1 174 21 21 LEU HB2 H 2.350 0.030 2 175 21 21 LEU HB3 H 1.352 0.030 2 176 21 21 LEU HD1 H 0.855 0.030 1 177 21 21 LEU HD2 H 0.967 0.030 1 178 21 21 LEU HG H 1.964 0.030 1 179 21 21 LEU C C 176.281 0.300 1 180 21 21 LEU CA C 53.415 0.300 1 181 21 21 LEU CB C 43.906 0.300 1 182 21 21 LEU CD1 C 25.939 0.300 2 183 21 21 LEU CD2 C 27.186 0.300 2 184 21 21 LEU CG C 27.182 0.300 1 185 21 21 LEU N N 126.093 0.300 1 186 22 22 ILE H H 7.893 0.030 1 187 22 22 ILE HA H 4.814 0.030 1 188 22 22 ILE HB H 1.085 0.030 1 189 22 22 ILE HD1 H 0.613 0.030 1 190 22 22 ILE HG12 H 1.432 0.030 1 191 22 22 ILE HG13 H 1.432 0.030 1 192 22 22 ILE HG2 H 0.897 0.030 1 193 22 22 ILE C C 177.316 0.300 1 194 22 22 ILE CA C 60.246 0.300 1 195 22 22 ILE CB C 40.299 0.300 1 196 22 22 ILE CD1 C 14.364 0.300 1 197 22 22 ILE CG1 C 26.413 0.300 1 198 22 22 ILE CG2 C 16.375 0.300 1 199 22 22 ILE N N 120.171 0.300 1 200 23 23 LEU H H 8.571 0.030 1 201 23 23 LEU HA H 4.826 0.030 1 202 23 23 LEU HB2 H 1.438 0.030 2 203 23 23 LEU HB3 H 1.657 0.030 2 204 23 23 LEU HD1 H -0.284 0.030 1 205 23 23 LEU HD2 H 0.287 0.030 1 206 23 23 LEU HG H 2.163 0.030 1 207 23 23 LEU C C 180.821 0.300 1 208 23 23 LEU CA C 54.439 0.300 1 209 23 23 LEU CB C 43.725 0.300 1 210 23 23 LEU CD1 C 24.258 0.300 2 211 23 23 LEU CD2 C 22.197 0.300 2 212 23 23 LEU N N 127.017 0.300 1 213 24 24 VAL H H 9.450 0.030 1 214 24 24 VAL HA H 3.941 0.030 1 215 24 24 VAL HB H 2.273 0.030 1 216 24 24 VAL HG1 H 1.171 0.030 1 217 24 24 VAL HG2 H 1.124 0.030 1 218 24 24 VAL C C 176.771 0.300 1 219 24 24 VAL CA C 65.641 0.300 1 220 24 24 VAL CB C 31.551 0.300 1 221 24 24 VAL CG1 C 21.573 0.300 2 222 24 24 VAL CG2 C 20.950 0.300 2 223 24 24 VAL N N 122.573 0.300 1 224 25 25 SER H H 7.530 0.030 1 225 25 25 SER HA H 4.323 0.030 1 226 25 25 SER HB2 H 3.978 0.030 1 227 25 25 SER HB3 H 3.978 0.030 1 228 25 25 SER C C 176.096 0.300 1 229 25 25 SER CA C 58.061 0.300 1 230 25 25 SER CB C 64.046 0.300 1 231 26 26 GLY H H 8.238 0.030 1 232 26 26 GLY HA2 H 4.454 0.030 2 233 26 26 GLY HA3 H 3.484 0.030 2 234 26 26 GLY C C 174.239 0.300 1 235 26 26 GLY CA C 44.759 0.300 1 236 26 26 GLY N N 110.940 0.300 1 237 27 27 LYS H H 6.862 0.030 1 238 27 27 LYS HA H 4.288 0.030 1 239 27 27 LYS HB2 H 1.897 0.030 1 240 27 27 LYS HB3 H 1.897 0.030 1 241 27 27 LYS HG2 H 1.450 0.030 2 242 27 27 LYS HG3 H 1.388 0.030 2 243 27 27 LYS C C 175.356 0.300 1 244 27 27 LYS CA C 57.740 0.300 1 245 27 27 LYS CB C 33.775 0.300 1 246 27 27 LYS CG C 25.920 0.300 1 247 27 27 LYS N N 120.909 0.300 1 248 28 28 THR H H 8.414 0.030 1 249 28 28 THR HA H 5.982 0.030 1 250 28 28 THR HB H 3.950 0.030 1 251 28 28 THR HG2 H 1.185 0.030 1 252 28 28 THR CA C 60.676 0.300 1 253 28 28 THR CB C 72.691 0.300 1 254 28 28 THR CG2 C 20.950 0.300 1 255 28 28 THR N N 112.557 0.300 1 256 29 29 LYS H H 8.822 0.030 1 257 29 29 LYS HA H 4.652 0.030 1 258 30 30 GLU H H 7.840 0.030 1 259 30 30 GLU HA H 5.633 0.030 1 260 30 30 GLU HB2 H 2.094 0.030 2 261 30 30 GLU HB3 H 1.727 0.030 2 262 30 30 GLU HG2 H 1.934 0.030 2 263 30 30 GLU HG3 H 2.319 0.030 2 264 30 30 GLU C C 175.655 0.300 1 265 30 30 GLU CA C 54.689 0.300 1 266 30 30 GLU CB C 30.738 0.300 1 267 30 30 GLU CG C 36.801 0.300 1 268 31 31 PHE H H 9.056 0.030 1 269 31 31 PHE HA H 4.499 0.030 1 270 31 31 PHE HB2 H 2.586 0.030 2 271 31 31 PHE HB3 H 2.692 0.030 2 272 31 31 PHE HD1 H 7.287 0.030 1 273 31 31 PHE HD2 H 7.287 0.030 1 274 31 31 PHE HE1 H 7.093 0.030 1 275 31 31 PHE HE2 H 7.093 0.030 1 276 31 31 PHE HZ H 6.687 0.030 1 277 31 31 PHE C C 172.906 0.300 1 278 31 31 PHE CA C 56.900 0.300 1 279 31 31 PHE CB C 46.193 0.300 1 280 31 31 PHE CD1 C 132.514 0.300 1 281 31 31 PHE CD2 C 132.514 0.300 1 282 31 31 PHE CE1 C 130.898 0.300 1 283 31 31 PHE CE2 C 130.898 0.300 1 284 31 31 PHE CZ C 128.922 0.300 1 285 31 31 PHE N N 120.597 0.300 1 286 32 32 LEU H H 7.923 0.030 1 287 32 32 LEU HA H 4.978 0.030 1 288 32 32 LEU HB2 H 1.228 0.030 2 289 32 32 LEU HB3 H 1.544 0.030 2 290 32 32 LEU HD1 H 0.784 0.030 1 291 32 32 LEU HD2 H 0.812 0.030 1 292 32 32 LEU HG H 1.609 0.030 1 293 32 32 LEU C C 176.322 0.300 1 294 32 32 LEU CA C 54.146 0.300 1 295 32 32 LEU CB C 44.030 0.300 1 296 32 32 LEU CD2 C 25.003 0.300 2 297 32 32 LEU CG C 26.564 0.300 1 298 32 32 LEU N N 121.137 0.300 1 299 33 33 PHE H H 9.163 0.030 1 300 33 33 PHE HA H 4.821 0.030 1 301 33 33 PHE HB2 H 3.728 0.030 2 302 33 33 PHE HB3 H 2.228 0.030 2 303 33 33 PHE HD1 H 7.262 0.030 1 304 33 33 PHE HD2 H 7.262 0.030 1 305 33 33 PHE HE1 H 6.780 0.030 1 306 33 33 PHE HE2 H 6.780 0.030 1 307 33 33 PHE HZ H 6.824 0.030 1 308 33 33 PHE C C 173.192 0.300 1 309 33 33 PHE CA C 57.830 0.300 1 310 33 33 PHE CB C 45.279 0.300 1 311 33 33 PHE CD1 C 132.239 0.300 1 312 33 33 PHE CD2 C 132.239 0.300 1 313 33 33 PHE CE1 C 128.226 0.300 1 314 33 33 PHE CE2 C 128.226 0.300 1 315 33 33 PHE CZ C 131.284 0.300 1 316 33 33 PHE N N 121.369 0.300 1 317 34 34 SER H H 9.309 0.030 1 318 34 34 SER HA H 5.265 0.030 1 319 34 34 SER HB2 H 4.148 0.030 2 320 34 34 SER HB3 H 3.900 0.030 2 321 34 34 SER C C 174.348 0.300 1 322 34 34 SER CA C 55.481 0.300 1 323 34 34 SER CB C 64.826 0.300 1 324 34 34 SER N N 116.842 0.300 1 325 35 35 PRO HA H 4.215 0.030 1 326 35 35 PRO HB2 H 2.151 0.030 2 327 35 35 PRO HB3 H 2.059 0.030 2 328 35 35 PRO HD2 H 3.625 0.030 2 329 35 35 PRO HD3 H 4.116 0.030 2 330 35 35 PRO HG2 H 1.986 0.030 2 331 35 35 PRO HG3 H 1.905 0.030 2 332 35 35 PRO C C 176.472 0.300 1 333 35 35 PRO CA C 64.195 0.300 1 334 35 35 PRO CB C 31.863 0.300 1 335 35 35 PRO CD C 50.795 0.300 1 336 35 35 PRO CG C 28.121 0.300 1 337 36 36 ASN H H 8.088 0.030 1 338 36 36 ASN HA H 4.676 0.030 1 339 36 36 ASN HB2 H 2.972 0.030 2 340 36 36 ASN HB3 H 2.680 0.030 2 341 36 36 ASN HD21 H 7.657 0.030 2 342 36 36 ASN HD22 H 7.020 0.030 2 343 36 36 ASN C C 174.824 0.300 1 344 36 36 ASN CA C 53.435 0.300 1 345 36 36 ASN CB C 38.908 0.300 1 346 36 36 ASN N N 113.009 0.300 1 347 36 36 ASN ND2 N 113.935 0.300 1 348 37 37 ASP H H 7.731 0.030 1 349 37 37 ASP HA H 4.794 0.030 1 350 37 37 ASP HB2 H 2.894 0.030 2 351 37 37 ASP HB3 H 2.326 0.030 2 352 37 37 ASP C C 174.811 0.300 1 353 37 37 ASP CA C 55.850 0.300 1 354 37 37 ASP CB C 41.477 0.300 1 355 37 37 ASP N N 121.399 0.300 1 356 38 38 SER H H 9.194 0.030 1 357 38 38 SER HA H 5.222 0.030 1 358 38 38 SER HB2 H 3.829 0.030 2 359 38 38 SER HB3 H 4.395 0.030 2 360 38 38 SER C C 175.573 0.300 1 361 38 38 SER CA C 55.704 0.300 1 362 38 38 SER CB C 66.910 0.300 1 363 38 38 SER N N 117.681 0.300 1 364 39 39 ALA H H 8.444 0.030 1 365 39 39 ALA HA H 3.899 0.030 1 366 39 39 ALA HB H 1.499 0.030 1 367 39 39 ALA C C 180.440 0.300 1 368 39 39 ALA CA C 55.642 0.300 1 369 39 39 ALA CB C 18.305 0.300 1 370 39 39 ALA N N 122.552 0.300 1 371 40 40 SER H H 9.209 0.030 1 372 40 40 SER HA H 4.207 0.030 1 373 40 40 SER HB2 H 3.820 0.030 1 374 40 40 SER HB3 H 3.820 0.030 1 375 40 40 SER C C 176.953 0.300 1 376 40 40 SER CA C 61.992 0.300 1 377 40 40 SER CB C 62.760 0.300 1 378 40 40 SER N N 115.624 0.300 1 379 41 41 ASP H H 7.946 0.030 1 380 41 41 ASP HA H 4.366 0.030 1 381 41 41 ASP HB2 H 3.192 0.030 2 382 41 41 ASP HB3 H 2.754 0.030 2 383 41 41 ASP C C 179.455 0.300 1 384 41 41 ASP CA C 57.672 0.300 1 385 41 41 ASP CB C 40.310 0.300 1 386 41 41 ASP N N 124.763 0.300 1 387 42 42 ILE H H 8.539 0.030 1 388 42 42 ILE HA H 3.255 0.030 1 389 42 42 ILE HB H 1.578 0.030 1 390 42 42 ILE HD1 H 0.179 0.030 1 391 42 42 ILE HG12 H 0.978 0.030 2 392 42 42 ILE HG13 H -1.001 0.030 2 393 42 42 ILE HG2 H 0.417 0.030 1 394 42 42 ILE C C 176.962 0.300 1 395 42 42 ILE CA C 64.853 0.300 1 396 42 42 ILE CB C 37.732 0.300 1 397 42 42 ILE CD1 C 13.999 0.300 1 398 42 42 ILE CG1 C 26.874 0.300 1 399 42 42 ILE CG2 C 16.215 0.300 1 400 42 42 ILE N N 123.208 0.300 1 401 43 43 ALA H H 7.869 0.030 1 402 43 43 ALA HA H 3.809 0.030 1 403 43 43 ALA HB H 1.539 0.030 1 404 43 43 ALA C C 178.730 0.300 1 405 43 43 ALA CA C 55.801 0.300 1 406 43 43 ALA CB C 18.623 0.300 1 407 43 43 ALA N N 120.974 0.300 1 408 44 44 LYS H H 7.772 0.030 1 409 44 44 LYS HA H 3.910 0.030 1 410 44 44 LYS HB2 H 1.937 0.030 2 411 44 44 LYS HB3 H 2.047 0.030 2 412 44 44 LYS HD2 H 1.796 0.030 1 413 44 44 LYS HD3 H 1.796 0.030 1 414 44 44 LYS HE2 H 3.068 0.030 1 415 44 44 LYS HE3 H 3.068 0.030 1 416 44 44 LYS HG2 H 1.529 0.030 2 417 44 44 LYS HG3 H 1.501 0.030 2 418 44 44 LYS C C 177.316 0.300 1 419 44 44 LYS CA C 59.729 0.300 1 420 44 44 LYS CB C 32.487 0.300 1 421 44 44 LYS CD C 30.616 0.300 1 422 44 44 LYS CG C 25.308 0.300 1 423 44 44 LYS N N 115.693 0.300 1 424 45 45 HIS H H 8.427 0.030 1 425 45 45 HIS HA H 4.301 0.030 1 426 45 45 HIS HB2 H 3.491 0.030 1 427 45 45 HIS HB3 H 3.491 0.030 1 428 45 45 HIS HD2 H 6.542 0.030 1 429 45 45 HIS HE1 H 8.081 0.030 1 430 45 45 HIS C C 178.622 0.300 1 431 45 45 HIS CA C 60.584 0.300 1 432 45 45 HIS CB C 30.007 0.300 1 433 45 45 HIS CD2 C 121.236 0.300 1 434 45 45 HIS CE1 C 139.155 0.300 1 435 45 45 HIS N N 117.794 0.300 1 436 46 46 VAL H H 8.862 0.030 1 437 46 46 VAL HA H 3.333 0.030 1 438 46 46 VAL HB H 2.108 0.030 1 439 46 46 VAL HG1 H 0.617 0.030 1 440 46 46 VAL HG2 H 1.025 0.030 1 441 46 46 VAL C C 177.288 0.300 1 442 46 46 VAL CA C 66.733 0.300 1 443 46 46 VAL CB C 31.606 0.300 1 444 46 46 VAL CG1 C 22.343 0.300 2 445 46 46 VAL CG2 C 21.992 0.300 2 446 46 46 VAL N N 118.869 0.300 1 447 47 47 TYR H H 7.947 0.030 1 448 47 47 TYR HA H 4.230 0.030 1 449 47 47 TYR HB2 H 3.291 0.030 2 450 47 47 TYR HB3 H 2.963 0.030 2 451 47 47 TYR HD1 H 6.948 0.030 1 452 47 47 TYR HD2 H 6.948 0.030 1 453 47 47 TYR HE1 H 6.642 0.030 1 454 47 47 TYR HE2 H 6.642 0.030 1 455 47 47 TYR CA C 63.041 0.300 1 456 47 47 TYR CB C 39.346 0.300 1 457 47 47 TYR CD1 C 133.186 0.300 1 458 47 47 TYR CD2 C 133.186 0.300 1 459 47 47 TYR CE1 C 118.599 0.300 1 460 47 47 TYR CE2 C 118.599 0.300 1 461 48 48 ASP H H 8.675 0.030 1 462 48 48 ASP HA H 4.428 0.030 1 463 48 48 ASP HB2 H 2.670 0.030 2 464 48 48 ASP HB3 H 2.724 0.030 2 465 48 48 ASP CB C 40.906 0.300 1 466 49 49 ASN H H 7.732 0.030 1 467 49 49 ASN HA H 4.899 0.030 1 468 49 49 ASN HB2 H 2.329 0.030 2 469 49 49 ASN HB3 H 2.682 0.030 2 470 49 49 ASN HD21 H 7.115 0.030 2 471 49 49 ASN HD22 H 7.225 0.030 2 472 49 49 ASN CB C 39.346 0.300 1 473 49 49 ASN ND2 N 116.157 0.300 1 474 50 50 TRP HA H 5.119 0.030 1 475 50 50 TRP HB2 H 3.373 0.030 1 476 50 50 TRP HB3 H 3.373 0.030 1 477 50 50 TRP HD1 H 6.606 0.030 1 478 50 50 TRP HE1 H 9.120 0.030 1 479 50 50 TRP HE3 H 6.769 0.030 1 480 50 50 TRP HH2 H 6.808 0.030 1 481 50 50 TRP HZ2 H 7.099 0.030 1 482 50 50 TRP HZ3 H 6.197 0.030 1 483 50 50 TRP CD1 C 122.595 0.300 1 484 50 50 TRP CH2 C 123.138 0.300 1 485 50 50 TRP CZ2 C 114.450 0.300 1 486 50 50 TRP CZ3 C 121.444 0.300 1 487 54 54 TRP HA H 4.239 0.030 1 488 54 54 TRP HB2 H 3.387 0.030 1 489 54 54 TRP HB3 H 3.387 0.030 1 490 54 54 TRP HD1 H 7.099 0.030 1 491 54 54 TRP HE1 H 9.643 0.030 1 492 54 54 TRP HE3 H 7.945 0.030 1 493 54 54 TRP HH2 H 7.154 0.030 1 494 54 54 TRP HZ2 H 7.460 0.030 1 495 54 54 TRP HZ3 H 7.148 0.030 1 496 54 54 TRP CD1 C 127.536 0.300 1 497 54 54 TRP CE3 C 121.425 0.300 1 498 54 54 TRP CH2 C 124.610 0.300 1 499 54 54 TRP CZ2 C 115.859 0.300 1 500 54 54 TRP CZ3 C 121.715 0.300 1 501 54 54 TRP NE1 N 129.152 0.300 1 502 58 58 GLN H H 8.019 0.030 1 503 58 58 GLN HA H 3.652 0.030 1 504 58 58 GLN HB2 H 1.941 0.030 2 505 58 58 GLN HB3 H 2.217 0.030 2 506 58 58 GLN CA C 57.092 0.300 1 507 58 58 GLN N N 116.810 0.300 1 508 59 59 VAL H H 7.469 0.030 1 509 59 59 VAL HA H 4.658 0.030 1 510 59 59 VAL HB H 2.246 0.030 1 511 59 59 VAL HG1 H 0.932 0.030 1 512 59 59 VAL HG2 H 0.727 0.030 1 513 59 59 VAL CB C 34.669 0.300 1 514 59 59 VAL CG2 C 18.821 0.300 2 515 60 60 SER H H 8.397 0.030 1 516 60 60 SER HA H 4.323 0.030 1 517 60 60 SER HB2 H 3.877 0.030 2 518 60 60 SER HB3 H 3.946 0.030 2 519 60 60 SER C C 174.620 0.300 1 520 60 60 SER CA C 59.886 0.300 1 521 60 60 SER CB C 63.663 0.300 1 522 61 61 SER H H 7.005 0.030 1 523 61 61 SER HA H 4.410 0.030 1 524 61 61 SER HB2 H 4.013 0.030 2 525 61 61 SER HB3 H 3.480 0.030 2 526 61 61 SER C C 172.089 0.300 1 527 61 61 SER CA C 55.150 0.300 1 528 61 61 SER CB C 64.824 0.300 1 529 61 61 SER N N 113.506 0.300 1 530 62 62 PRO HA H 4.412 0.030 1 531 62 62 PRO HD2 H 3.527 0.030 2 532 62 62 PRO HD3 H 1.943 0.030 2 533 62 62 PRO HG2 H 1.743 0.030 2 534 62 62 PRO HG3 H 1.651 0.030 2 535 62 62 PRO CA C 63.768 0.300 1 536 62 62 PRO CB C 30.553 0.300 1 537 62 62 PRO CD C 49.380 0.300 1 538 62 62 PRO CG C 26.250 0.300 1 539 63 63 ASN H H 7.816 0.030 1 540 63 63 ASN HA H 4.409 0.030 1 541 63 63 ASN HB2 H 2.624 0.030 2 542 63 63 ASN HB3 H 2.788 0.030 2 543 63 63 ASN HD21 H 6.935 0.030 2 544 63 63 ASN HD22 H 7.540 0.030 2 545 63 63 ASN CA C 54.992 0.300 1 546 63 63 ASN CB C 37.859 0.300 1 547 63 63 ASN N N 114.185 0.300 1 548 63 63 ASN ND2 N 113.036 0.300 1 549 64 64 ILE H H 6.919 0.030 1 550 64 64 ILE HA H 4.179 0.030 1 551 64 64 ILE HB H 2.031 0.030 1 552 64 64 ILE HD1 H 0.926 0.030 1 553 64 64 ILE HG12 H 1.382 0.030 1 554 64 64 ILE HG13 H 1.382 0.030 1 555 64 64 ILE HG2 H 0.958 0.030 1 556 64 64 ILE C C 175.301 0.300 1 557 64 64 ILE CA C 60.601 0.300 1 558 64 64 ILE CB C 38.463 0.300 1 559 64 64 ILE CD1 C 13.890 0.300 1 560 64 64 ILE CG1 C 27.351 0.300 1 561 64 64 ILE CG2 C 18.344 0.300 1 562 64 64 ILE N N 113.365 0.300 1 563 65 65 LEU H H 7.113 0.030 1 564 65 65 LEU HA H 4.780 0.030 1 565 65 65 LEU HB2 H 1.346 0.030 1 566 65 65 LEU HB3 H 1.346 0.030 1 567 65 65 LEU HD1 H 1.049 0.030 1 568 65 65 LEU HG H 2.172 0.030 1 569 65 65 LEU C C 176.390 0.300 1 570 65 65 LEU CA C 54.603 0.300 1 571 65 65 LEU CB C 42.930 0.300 1 572 65 65 LEU CD1 C 22.197 0.300 2 573 65 65 LEU N N 120.087 0.300 1 574 66 66 ARG H H 9.217 0.030 1 575 66 66 ARG HA H 4.767 0.030 1 576 66 66 ARG HB2 H 1.875 0.030 2 577 66 66 ARG HB3 H 1.786 0.030 2 578 66 66 ARG HD2 H 3.079 0.030 2 579 66 66 ARG HD3 H 2.970 0.030 2 580 66 66 ARG HE H 6.996 0.030 1 581 66 66 ARG HG2 H 1.710 0.030 2 582 66 66 ARG HG3 H 1.452 0.030 2 583 66 66 ARG C C 174.253 0.300 1 584 66 66 ARG CA C 52.761 0.300 1 585 66 66 ARG CB C 33.422 0.300 1 586 66 66 ARG CD C 42.721 0.300 1 587 66 66 ARG CG C 26.607 0.300 1 588 66 66 ARG N N 120.378 0.300 1 589 66 66 ARG NE N 83.765 0.300 1 590 67 67 LEU H H 9.199 0.030 1 591 67 67 LEU HA H 5.255 0.030 1 592 67 67 LEU HB2 H 1.730 0.030 2 593 67 67 LEU HB3 H 1.556 0.030 2 594 67 67 LEU HD1 H 0.840 0.030 1 595 67 67 LEU HD2 H 0.854 0.030 1 596 67 67 LEU HG H 1.599 0.030 1 597 67 67 LEU C C 176.019 0.300 1 598 67 67 LEU CA C 53.513 0.300 1 599 67 67 LEU CB C 44.912 0.300 1 600 67 67 LEU CD1 C 25.702 0.300 2 601 67 67 LEU CD2 C 25.315 0.300 2 602 67 67 LEU CG C 27.767 0.300 1 603 67 67 LEU N N 122.752 0.300 1 604 68 68 ILE H H 9.061 0.030 1 605 68 68 ILE HA H 4.702 0.030 1 606 68 68 ILE HB H 1.579 0.030 1 607 68 68 ILE HD1 H 0.447 0.030 1 608 68 68 ILE HG12 H 0.062 0.030 2 609 68 68 ILE HG13 H 1.224 0.030 2 610 68 68 ILE HG2 H 0.474 0.030 1 611 68 68 ILE C C 176.132 0.300 1 612 68 68 ILE CA C 59.849 0.300 1 613 68 68 ILE CB C 39.746 0.300 1 614 68 68 ILE CD1 C 14.149 0.300 1 615 68 68 ILE CG1 C 27.186 0.300 1 616 68 68 ILE CG2 C 17.086 0.300 1 617 68 68 ILE N N 120.091 0.300 1 618 69 69 TYR H H 8.941 0.030 1 619 69 69 TYR HA H 5.152 0.030 1 620 69 69 TYR HB2 H 3.264 0.030 2 621 69 69 TYR HB3 H 2.791 0.030 2 622 69 69 TYR HD1 H 7.273 0.030 1 623 69 69 TYR HD2 H 7.273 0.030 1 624 69 69 TYR HE1 H 6.890 0.030 1 625 69 69 TYR HE2 H 6.890 0.030 1 626 69 69 TYR C C 174.647 0.300 1 627 69 69 TYR CA C 55.893 0.300 1 628 69 69 TYR CB C 41.714 0.300 1 629 69 69 TYR CD1 C 133.257 0.300 1 630 69 69 TYR CD2 C 133.257 0.300 1 631 69 69 TYR CE1 C 118.823 0.300 1 632 69 69 TYR CE2 C 118.823 0.300 1 633 69 69 TYR N N 128.409 0.300 1 634 70 70 GLN H H 9.143 0.030 1 635 70 70 GLN HA H 3.652 0.030 1 636 70 70 GLN HB2 H 1.897 0.030 2 637 70 70 GLN HB3 H 1.639 0.030 2 638 70 70 GLN HE21 H 7.098 0.030 2 639 70 70 GLN HE22 H 6.758 0.030 2 640 70 70 GLN HG2 H 1.099 0.030 2 641 70 70 GLN HG3 H 1.625 0.030 2 642 70 70 GLN C C 176.295 0.300 1 643 70 70 GLN CA C 56.534 0.300 1 644 70 70 GLN CB C 25.953 0.300 1 645 70 70 GLN CG C 33.005 0.300 1 646 70 70 GLN N N 126.380 0.300 1 647 70 70 GLN NE2 N 111.235 0.300 1 648 71 71 GLY H H 8.353 0.030 1 649 71 71 GLY HA2 H 4.005 0.030 2 650 71 71 GLY HA3 H 3.377 0.030 2 651 71 71 GLY C C 173.382 0.300 1 652 71 71 GLY CA C 45.489 0.300 1 653 71 71 GLY N N 102.771 0.300 1 654 72 72 ARG H H 7.693 0.030 1 655 72 72 ARG HA H 4.728 0.030 1 656 72 72 ARG HB2 H 1.854 0.030 1 657 72 72 ARG HB3 H 1.854 0.030 1 658 72 72 ARG HD2 H 3.252 0.030 1 659 72 72 ARG HD3 H 3.252 0.030 1 660 72 72 ARG HE H 7.226 0.030 1 661 72 72 ARG HG2 H 1.626 0.030 2 662 72 72 ARG HG3 H 1.703 0.030 2 663 72 72 ARG C C 174.920 0.300 1 664 72 72 ARG CA C 53.929 0.300 1 665 72 72 ARG CB C 32.989 0.300 1 666 72 72 ARG CD C 43.790 0.300 1 667 72 72 ARG CG C 26.853 0.300 1 668 72 72 ARG N N 119.777 0.300 1 669 72 72 ARG NE N 85.288 0.300 1 670 73 73 PHE H H 8.622 0.030 1 671 73 73 PHE HA H 4.962 0.030 1 672 73 73 PHE HB2 H 2.973 0.030 2 673 73 73 PHE HB3 H 2.826 0.030 2 674 73 73 PHE HD1 H 7.204 0.030 1 675 73 73 PHE HD2 H 7.204 0.030 1 676 73 73 PHE HE1 H 7.237 0.030 1 677 73 73 PHE HE2 H 7.237 0.030 1 678 73 73 PHE C C 177.439 0.300 1 679 73 73 PHE CA C 57.812 0.300 1 680 73 73 PHE CB C 39.618 0.300 1 681 73 73 PHE CD1 C 131.557 0.300 1 682 73 73 PHE CD2 C 131.557 0.300 1 683 73 73 PHE CE1 C 129.262 0.300 1 684 73 73 PHE CE2 C 129.262 0.300 1 685 73 73 PHE N N 121.153 0.300 1 686 74 74 LEU H H 8.828 0.030 1 687 74 74 LEU HA H 4.565 0.030 1 688 74 74 LEU HB2 H 1.828 0.030 2 689 74 74 LEU HB3 H 1.345 0.030 2 690 74 74 LEU HD1 H 0.816 0.030 1 691 74 74 LEU HD2 H 1.003 0.030 1 692 74 74 LEU HG H 1.815 0.030 1 693 74 74 LEU C C 177.711 0.300 1 694 74 74 LEU CA C 54.286 0.300 1 695 74 74 LEU CB C 41.844 0.300 1 696 74 74 LEU CD1 C 26.278 0.300 2 697 74 74 LEU CD2 C 23.421 0.300 2 698 74 74 LEU CG C 26.679 0.300 1 699 74 74 LEU N N 123.718 0.300 1 700 75 75 HIS H H 8.584 0.030 1 701 75 75 HIS HA H 4.489 0.030 1 702 75 75 HIS HB2 H 3.192 0.030 2 703 75 75 HIS HB3 H 3.267 0.030 2 704 75 75 HIS HD2 H 7.249 0.030 1 705 75 75 HIS HE1 H 8.048 0.030 1 706 75 75 HIS C C 176.267 0.300 1 707 75 75 HIS CA C 57.058 0.300 1 708 75 75 HIS CB C 30.694 0.300 1 709 75 75 HIS CD2 C 119.162 0.300 1 710 75 75 HIS CE1 C 138.157 0.300 1 711 75 75 HIS N N 124.598 0.300 1 712 76 76 GLY H H 8.449 0.030 1 713 76 76 GLY HA2 H 3.764 0.030 2 714 76 76 GLY HA3 H 3.910 0.030 2 715 76 76 GLY C C 174.090 0.300 1 716 76 76 GLY CA C 47.730 0.300 1 717 76 76 GLY N N 108.279 0.300 1 718 77 77 ASN H H 8.565 0.030 1 719 77 77 ASN HA H 4.833 0.030 1 720 77 77 ASN HB2 H 3.044 0.030 2 721 77 77 ASN HB3 H 2.917 0.030 2 722 77 77 ASN HD21 H 6.916 0.030 2 723 77 77 ASN HD22 H 7.696 0.030 2 724 77 77 ASN C C 176.295 0.300 1 725 77 77 ASN CA C 52.900 0.300 1 726 77 77 ASN CB C 38.308 0.300 1 727 77 77 ASN N N 113.652 0.300 1 728 77 77 ASN ND2 N 112.150 0.300 1 729 78 78 VAL H H 7.820 0.030 1 730 78 78 VAL HA H 3.997 0.030 1 731 78 78 VAL HB H 2.159 0.030 1 732 78 78 VAL HG1 H 1.177 0.030 1 733 78 78 VAL HG2 H 1.050 0.030 1 734 78 78 VAL C C 174.933 0.300 1 735 78 78 VAL CA C 63.633 0.300 1 736 78 78 VAL CB C 32.251 0.300 1 737 78 78 VAL CG1 C 23.214 0.300 2 738 78 78 VAL CG2 C 21.396 0.300 2 739 78 78 VAL N N 123.914 0.300 1 740 79 79 THR H H 7.462 0.030 1 741 79 79 THR HA H 5.128 0.030 1 742 79 79 THR HB H 4.590 0.030 1 743 79 79 THR HG2 H 1.126 0.030 1 744 79 79 THR C C 175.615 0.300 1 745 79 79 THR CA C 58.924 0.300 1 746 79 79 THR CB C 71.354 0.300 1 747 79 79 THR CG2 C 21.959 0.300 1 748 79 79 THR N N 114.458 0.300 1 749 80 80 LEU H H 7.872 0.030 1 750 80 80 LEU HA H 3.891 0.030 1 751 80 80 LEU HB2 H 1.968 0.030 2 752 80 80 LEU HB3 H 1.256 0.030 2 753 80 80 LEU HD1 H 0.825 0.030 1 754 80 80 LEU HD2 H 0.490 0.030 1 755 80 80 LEU HG H 1.820 0.030 1 756 80 80 LEU C C 180.528 0.300 1 757 80 80 LEU CA C 57.556 0.300 1 758 80 80 LEU CB C 40.921 0.300 1 759 80 80 LEU CD1 C 26.250 0.300 2 760 80 80 LEU CD2 C 20.681 0.300 2 761 80 80 LEU CG C 26.562 0.300 1 762 80 80 LEU N N 117.247 0.300 1 763 81 81 GLY H H 9.595 0.030 1 764 81 81 GLY HA2 H 3.951 0.030 1 765 81 81 GLY HA3 H 3.951 0.030 1 766 81 81 GLY C C 177.629 0.300 1 767 81 81 GLY CA C 46.401 0.300 1 768 81 81 GLY N N 106.650 0.300 1 769 82 82 ALA H H 7.910 0.030 1 770 82 82 ALA HA H 4.220 0.030 1 771 82 82 ALA HB H 1.593 0.030 1 772 82 82 ALA C C 179.929 0.300 1 773 82 82 ALA CA C 54.547 0.300 1 774 82 82 ALA CB C 18.362 0.300 1 775 82 82 ALA N N 126.288 0.300 1 776 83 83 LEU H H 7.308 0.030 1 777 83 83 LEU HA H 4.197 0.030 1 778 83 83 LEU HB2 H 1.864 0.030 2 779 83 83 LEU HB3 H 1.440 0.030 2 780 83 83 LEU HD1 H 0.583 0.030 1 781 83 83 LEU HD2 H 0.877 0.030 1 782 83 83 LEU HG H 1.818 0.030 1 783 83 83 LEU C C 176.063 0.300 1 784 83 83 LEU CA C 54.914 0.300 1 785 83 83 LEU CB C 42.555 0.300 1 786 83 83 LEU CD1 C 26.138 0.300 2 787 83 83 LEU CD2 C 22.193 0.300 2 788 83 83 LEU CG C 26.094 0.300 1 789 83 83 LEU N N 116.090 0.300 1 790 84 84 LYS H H 7.830 0.030 1 791 84 84 LYS HA H 3.887 0.030 1 792 84 84 LYS HB2 H 2.063 0.030 2 793 84 84 LYS HB3 H 1.886 0.030 2 794 84 84 LYS HD2 H 1.730 0.030 2 795 84 84 LYS HD3 H 1.444 0.030 2 796 84 84 LYS HE2 H 3.025 0.030 1 797 84 84 LYS HE3 H 3.025 0.030 1 798 84 84 LYS HG2 H 1.357 0.030 2 799 84 84 LYS HG3 H 1.383 0.030 2 800 84 84 LYS C C 176.132 0.300 1 801 84 84 LYS CA C 56.654 0.300 1 802 84 84 LYS CB C 28.525 0.300 1 803 84 84 LYS CD C 29.992 0.300 1 804 84 84 LYS CE C 42.392 0.300 1 805 84 84 LYS CG C 24.691 0.300 1 806 84 84 LYS N N 113.975 0.300 1 807 85 85 LEU H H 7.195 0.030 1 808 85 85 LEU HA H 4.302 0.030 1 809 85 85 LEU HB2 H 1.313 0.030 2 810 85 85 LEU HB3 H 1.405 0.030 2 811 85 85 LEU HD1 H 0.687 0.030 1 812 85 85 LEU HD2 H 0.704 0.030 1 813 85 85 LEU HG H 1.717 0.030 1 814 85 85 LEU C C 175.247 0.300 1 815 85 85 LEU CA C 53.134 0.300 1 816 85 85 LEU CB C 39.799 0.300 1 817 85 85 LEU CD1 C 22.436 0.300 2 818 85 85 LEU CD2 C 27.406 0.300 2 819 85 85 LEU CG C 26.874 0.300 1 820 85 85 LEU N N 118.163 0.300 1 821 86 86 PRO HA H 4.359 0.030 1 822 86 86 PRO HB2 H 2.245 0.030 2 823 86 86 PRO HB3 H 1.783 0.030 2 824 86 86 PRO HD2 H 3.529 0.030 2 825 86 86 PRO HD3 H 3.788 0.030 2 826 86 86 PRO HG2 H 2.097 0.030 1 827 86 86 PRO HG3 H 2.097 0.030 1 828 86 86 PRO C C 177.125 0.300 1 829 86 86 PRO CA C 62.329 0.300 1 830 86 86 PRO CB C 31.551 0.300 1 831 86 86 PRO CD C 50.083 0.300 1 832 86 86 PRO CG C 27.593 0.300 1 833 87 87 PHE H H 8.322 0.030 1 834 87 87 PHE HA H 4.536 0.030 1 835 87 87 PHE HB2 H 3.383 0.030 2 836 87 87 PHE HB3 H 2.951 0.030 2 837 87 87 PHE HD1 H 7.244 0.030 1 838 87 87 PHE HD2 H 7.244 0.030 1 839 87 87 PHE HE1 H 7.309 0.030 1 840 87 87 PHE HE2 H 7.309 0.030 1 841 87 87 PHE HZ H 7.284 0.030 1 842 87 87 PHE C C 178.296 0.300 1 843 87 87 PHE CA C 56.800 0.300 1 844 87 87 PHE CB C 38.740 0.300 1 845 87 87 PHE CD1 C 130.969 0.300 1 846 87 87 PHE CD2 C 130.969 0.300 1 847 87 87 PHE CE1 C 130.969 0.300 1 848 87 87 PHE CE2 C 130.969 0.300 1 849 87 87 PHE CZ C 129.262 0.300 1 850 87 87 PHE N N 122.575 0.300 1 851 88 88 GLY H H 9.307 0.030 1 852 88 88 GLY HA2 H 3.988 0.030 2 853 88 88 GLY HA3 H 3.768 0.030 2 854 88 88 GLY C C 173.341 0.300 1 855 88 88 GLY CA C 46.762 0.300 1 856 88 88 GLY N N 108.730 0.300 1 857 89 89 LYS H H 7.068 0.030 1 858 89 89 LYS HA H 4.755 0.030 1 859 89 89 LYS HB2 H 1.989 0.030 2 860 89 89 LYS HB3 H 1.578 0.030 2 861 89 89 LYS HD2 H 1.676 0.030 2 862 89 89 LYS HD3 H 1.769 0.030 2 863 89 89 LYS HE2 H 3.068 0.030 1 864 89 89 LYS HE3 H 3.068 0.030 1 865 89 89 LYS HG2 H 1.408 0.030 2 866 89 89 LYS HG3 H 1.463 0.030 2 867 89 89 LYS C C 176.105 0.300 1 868 89 89 LYS CA C 53.870 0.300 1 869 89 89 LYS CB C 36.632 0.300 1 870 89 89 LYS CD C 28.909 0.300 1 871 89 89 LYS CE C 42.310 0.300 1 872 89 89 LYS CG C 24.691 0.300 1 873 89 89 LYS N N 116.254 0.300 1 874 90 90 THR H H 8.805 0.030 1 875 90 90 THR HA H 5.360 0.030 1 876 90 90 THR HB H 4.003 0.030 1 877 90 90 THR HG2 H 1.030 0.030 1 878 90 90 THR C C 174.824 0.300 1 879 90 90 THR CA C 62.444 0.300 1 880 90 90 THR CB C 69.466 0.300 1 881 90 90 THR CG2 C 22.490 0.300 1 882 90 90 THR N N 121.531 0.300 1 883 91 91 THR H H 9.042 0.030 1 884 91 91 THR HA H 4.607 0.030 1 885 91 91 THR HB H 3.783 0.030 1 886 91 91 THR HG2 H 1.268 0.030 1 887 91 91 THR C C 172.565 0.300 1 888 91 91 THR CA C 62.977 0.300 1 889 91 91 THR CB C 71.407 0.300 1 890 91 91 THR CG2 C 22.567 0.300 1 891 91 91 THR N N 126.380 0.300 1 892 92 92 VAL H H 8.755 0.030 1 893 92 92 VAL HA H 4.992 0.030 1 894 92 92 VAL HB H 2.049 0.030 1 895 92 92 VAL HG1 H 1.058 0.030 1 896 92 92 VAL HG2 H 0.884 0.030 1 897 92 92 VAL C C 176.459 0.300 1 898 92 92 VAL CA C 61.910 0.300 1 899 92 92 VAL CB C 33.110 0.300 1 900 92 92 VAL CG1 C 22.357 0.300 2 901 92 92 VAL CG2 C 21.586 0.300 2 902 92 92 VAL N N 128.725 0.300 1 903 93 93 MET H H 8.968 0.030 1 904 93 93 MET HA H 5.071 0.030 1 905 93 93 MET HB2 H 1.684 0.030 2 906 93 93 MET HB3 H 2.066 0.030 2 907 93 93 MET HE H 1.401 0.030 1 908 93 93 MET HG2 H 2.935 0.030 2 909 93 93 MET HG3 H 2.370 0.030 2 910 93 93 MET C C 173.885 0.300 1 911 93 93 MET CA C 55.790 0.300 1 912 93 93 MET CB C 37.478 0.300 1 913 93 93 MET CE C 18.205 0.300 1 914 93 93 MET CG C 35.081 0.300 1 915 93 93 MET N N 123.541 0.300 1 916 94 94 HIS H H 8.401 0.030 1 917 94 94 HIS HA H 5.239 0.030 1 918 94 94 HIS HB2 H 2.821 0.030 2 919 94 94 HIS HB3 H 3.220 0.030 2 920 94 94 HIS HD2 H 6.877 0.030 1 921 94 94 HIS HE1 H 7.966 0.030 1 922 94 94 HIS C C 173.355 0.300 1 923 94 94 HIS CA C 56.105 0.300 1 924 94 94 HIS CB C 31.600 0.300 1 925 94 94 HIS CD2 C 118.757 0.300 1 926 94 94 HIS CE1 C 137.325 0.300 1 927 94 94 HIS N N 118.551 0.300 1 928 95 95 LEU H H 8.296 0.030 1 929 95 95 LEU HA H 5.426 0.030 1 930 95 95 LEU HB2 H 1.826 0.030 2 931 95 95 LEU HB3 H 1.213 0.030 2 932 95 95 LEU HD1 H 1.119 0.030 1 933 95 95 LEU HD2 H 1.064 0.030 1 934 95 95 LEU HG H 1.563 0.030 1 935 95 95 LEU C C 175.478 0.300 1 936 95 95 LEU CA C 53.525 0.300 1 937 95 95 LEU CB C 45.659 0.300 1 938 95 95 LEU CD1 C 27.233 0.300 2 939 95 95 LEU CD2 C 24.717 0.300 2 940 95 95 LEU CG C 27.089 0.300 1 941 95 95 LEU N N 125.190 0.300 1 942 96 96 VAL H H 9.227 0.030 1 943 96 96 VAL HA H 4.715 0.030 1 944 96 96 VAL HB H 2.229 0.030 1 945 96 96 VAL HG1 H 0.934 0.030 1 946 96 96 VAL HG2 H 0.964 0.030 1 947 96 96 VAL C C 173.300 0.300 1 948 96 96 VAL CA C 59.513 0.300 1 949 96 96 VAL CB C 35.906 0.300 1 950 96 96 VAL CG1 C 19.927 0.300 2 951 96 96 VAL CG2 C 21.654 0.300 2 952 96 96 VAL N N 121.066 0.300 1 953 97 97 ALA H H 8.655 0.030 1 954 97 97 ALA HA H 5.083 0.030 1 955 97 97 ALA HB H 1.383 0.030 1 956 97 97 ALA C C 177.316 0.300 1 957 97 97 ALA CA C 50.541 0.300 1 958 97 97 ALA CB C 20.146 0.300 1 959 97 97 ALA N N 125.172 0.300 1 960 98 98 ARG H H 8.809 0.030 1 961 98 98 ARG HA H 4.471 0.030 1 962 98 98 ARG HB2 H 1.687 0.030 2 963 98 98 ARG HB3 H 1.793 0.030 2 964 98 98 ARG HD2 H 3.145 0.030 1 965 98 98 ARG HD3 H 3.145 0.030 1 966 98 98 ARG HE H 7.214 0.030 1 967 98 98 ARG HG2 H 1.582 0.030 1 968 98 98 ARG HG3 H 1.582 0.030 1 969 98 98 ARG C C 174.920 0.300 1 970 98 98 ARG CA C 55.459 0.300 1 971 98 98 ARG CB C 32.251 0.300 1 972 98 98 ARG CD C 43.379 0.300 1 973 98 98 ARG CG C 27.186 0.300 1 974 98 98 ARG N N 122.967 0.300 1 975 98 98 ARG NE N 84.346 0.300 1 976 99 99 GLU H H 8.852 0.030 1 977 99 99 GLU HA H 4.190 0.030 1 978 99 99 GLU HB2 H 1.978 0.030 2 979 99 99 GLU HB3 H 2.065 0.030 2 980 99 99 GLU HG2 H 2.239 0.030 1 981 99 99 GLU HG3 H 2.239 0.030 1 982 99 99 GLU C C 176.240 0.300 1 983 99 99 GLU CA C 57.692 0.300 1 984 99 99 GLU CB C 30.314 0.300 1 985 99 99 GLU CG C 36.308 0.300 1 986 99 99 GLU N N 124.516 0.300 1 987 100 100 THR H H 8.062 0.030 1 988 100 100 THR HA H 4.366 0.030 1 989 100 100 THR HB H 4.093 0.030 1 990 100 100 THR HG2 H 1.158 0.030 1 991 100 100 THR C C 173.790 0.300 1 992 100 100 THR CA C 61.031 0.300 1 993 100 100 THR CB C 70.406 0.300 1 994 100 100 THR CG2 C 21.746 0.300 1 995 100 100 THR N N 113.993 0.300 1 996 101 101 LEU H H 8.408 0.030 1 997 101 101 LEU HA H 4.473 0.030 1 998 101 101 LEU HB2 H 1.477 0.030 2 999 101 101 LEU HB3 H 1.542 0.030 2 1000 101 101 LEU HD1 H 0.704 0.030 1 1001 101 101 LEU HD2 H 0.814 0.030 1 1002 101 101 LEU HG H 1.550 0.030 1 1003 101 101 LEU C C 174.920 0.300 1 1004 101 101 LEU CA C 52.897 0.300 1 1005 101 101 LEU CB C 41.734 0.300 1 1006 101 101 LEU CD1 C 23.378 0.300 2 1007 101 101 LEU CD2 C 25.003 0.300 2 1008 101 101 LEU CG C 27.186 0.300 1 1009 101 101 LEU N N 125.823 0.300 1 1010 102 102 PRO HA H 4.394 0.030 1 1011 102 102 PRO HB2 H 1.858 0.030 1 1012 102 102 PRO HB3 H 1.858 0.030 1 1013 102 102 PRO HD2 H 3.473 0.030 2 1014 102 102 PRO HD3 H 3.626 0.030 2 1015 102 102 PRO C C 176.444 0.300 1 1016 102 102 PRO CA C 62.818 0.300 1 1017 102 102 PRO CB C 31.802 0.300 1 1018 102 102 PRO CD C 50.409 0.300 1 1019 102 102 PRO CG C 27.429 0.300 1 1020 103 103 GLU H H 8.442 0.030 1 1021 103 103 GLU HA H 4.550 0.030 1 1022 103 103 GLU HB2 H 1.905 0.030 2 1023 103 103 GLU HB3 H 2.068 0.030 2 1024 103 103 GLU HG2 H 2.332 0.030 1 1025 103 103 GLU HG3 H 2.332 0.030 1 1026 103 103 GLU C C 175.029 0.300 1 1027 103 103 GLU CA C 54.309 0.300 1 1028 103 103 GLU CB C 29.708 0.300 1 1029 103 103 GLU CG C 35.917 0.300 1 1030 103 103 GLU N N 122.553 0.300 1 1031 104 104 PRO HA H 4.413 0.030 1 1032 104 104 PRO HB2 H 2.266 0.030 1 1033 104 104 PRO HB3 H 2.266 0.030 1 1034 104 104 PRO HD2 H 3.724 0.030 2 1035 104 104 PRO HD3 H 3.814 0.030 2 1036 104 104 PRO C C 176.831 0.300 1 1037 104 104 PRO CA C 63.566 0.300 1 1038 104 104 PRO CB C 31.987 0.300 1 1039 104 104 PRO CD C 50.713 0.300 1 1040 104 104 PRO CG C 27.429 0.300 1 1041 105 105 ASN H H 8.580 0.030 1 1042 105 105 ASN HA H 4.702 0.030 1 1043 105 105 ASN HB2 H 2.878 0.030 1 1044 105 105 ASN HB3 H 2.878 0.030 1 1045 105 105 ASN HD21 H 7.643 0.030 2 1046 105 105 ASN HD22 H 6.954 0.030 2 1047 105 105 ASN C C 175.615 0.300 1 1048 105 105 ASN CA C 53.474 0.300 1 1049 105 105 ASN CB C 38.760 0.300 1 1050 105 105 ASN N N 118.290 0.300 1 1051 105 105 ASN ND2 N 112.958 0.300 1 1052 106 106 SER H H 8.284 0.030 1 1053 106 106 SER HA H 4.412 0.030 1 1054 106 106 SER HB2 H 3.873 0.030 1 1055 106 106 SER HB3 H 3.873 0.030 1 1056 106 106 SER C C 174.893 0.300 1 1057 106 106 SER CA C 58.820 0.300 1 1058 106 106 SER CB C 63.730 0.300 1 1059 106 106 SER N N 116.140 0.300 1 1060 107 107 GLN H H 8.430 0.030 1 1061 107 107 GLN HA H 4.367 0.030 1 1062 107 107 GLN HB2 H 2.003 0.030 1 1063 107 107 GLN HB3 H 2.003 0.030 1 1064 107 107 GLN HE21 H 6.869 0.030 2 1065 107 107 GLN HE22 H 7.536 0.030 2 1066 107 107 GLN HG2 H 2.383 0.030 1 1067 107 107 GLN HG3 H 2.383 0.030 1 1068 107 107 GLN C C 176.594 0.300 1 1069 107 107 GLN CA C 56.325 0.300 1 1070 107 107 GLN CB C 29.372 0.300 1 1071 107 107 GLN CG C 33.734 0.300 1 1072 107 107 GLN N N 121.688 0.300 1 1073 107 107 GLN NE2 N 112.452 0.300 1 1074 108 108 GLY H H 8.374 0.030 1 1075 108 108 GLY HA2 H 3.925 0.030 1 1076 108 108 GLY HA3 H 3.925 0.030 1 1077 108 108 GLY C C 174.139 0.300 1 1078 108 108 GLY CA C 45.414 0.300 1 1079 108 108 GLY N N 109.459 0.300 1 1080 109 109 GLN H H 8.231 0.030 1 1081 109 109 GLN HA H 4.230 0.030 1 1082 109 109 GLN C C 176.118 0.300 1 1083 109 109 GLN CA C 55.972 0.300 1 1084 109 109 GLN CB C 29.618 0.300 1 1085 109 109 GLN N N 119.888 0.300 1 1086 110 110 ARG HA H 4.360 0.030 1 1087 110 110 ARG HB2 H 1.807 0.030 2 1088 110 110 ARG HB3 H 1.913 0.030 2 1089 110 110 ARG HD2 H 3.196 0.030 1 1090 110 110 ARG HD3 H 3.196 0.030 1 1091 110 110 ARG HG2 H 1.654 0.030 1 1092 110 110 ARG HG3 H 1.654 0.030 1 1093 110 110 ARG C C 176.308 0.300 1 1094 110 110 ARG CA C 56.116 0.300 1 1095 110 110 ARG CB C 30.888 0.300 1 1096 110 110 ARG CD C 43.461 0.300 1 1097 110 110 ARG CG C 27.018 0.300 1 1098 111 111 SER H H 8.392 0.030 1 1099 111 111 SER HA H 4.491 0.030 1 1100 111 111 SER HB2 H 3.846 0.030 1 1101 111 111 SER HB3 H 3.846 0.030 1 1102 111 111 SER C C 174.468 0.300 1 1103 111 111 SER CA C 58.266 0.300 1 1104 111 111 SER CB C 64.231 0.300 1 1105 111 111 SER N N 117.247 0.300 1 1106 112 112 GLY H H 8.276 0.030 1 1107 112 112 GLY C C 171.816 0.300 1 1108 112 112 GLY CA C 44.635 0.300 1 1109 112 112 GLY N N 110.726 0.300 1 1110 113 113 PRO HA H 4.506 0.030 1 1111 113 113 PRO HB2 H 2.266 0.030 2 1112 113 113 PRO HB3 H 1.963 0.030 2 1113 113 113 PRO HD2 H 3.648 0.030 1 1114 113 113 PRO HD3 H 3.648 0.030 1 1115 113 113 PRO C C 177.425 0.300 1 1116 113 113 PRO CA C 63.338 0.300 1 1117 113 113 PRO CB C 32.264 0.300 1 1118 113 113 PRO CD C 49.815 0.300 1 1119 113 113 PRO CG C 27.182 0.300 1 1120 114 114 SER H H 8.530 0.030 1 1121 114 114 SER HA H 4.399 0.030 1 1122 114 114 SER HB2 H 3.820 0.030 1 1123 114 114 SER HB3 H 3.820 0.030 1 1124 114 114 SER C C 174.594 0.300 1 1125 114 114 SER CA C 58.464 0.300 1 1126 114 114 SER CB C 63.913 0.300 1 1127 114 114 SER N N 116.369 0.300 1 1128 115 115 SER H H 8.340 0.030 1 1129 115 115 SER HA H 4.478 0.030 1 1130 115 115 SER HB2 H 3.886 0.030 1 1131 115 115 SER HB3 H 3.886 0.030 1 1132 115 115 SER C C 173.972 0.300 1 1133 115 115 SER CA C 58.346 0.300 1 1134 115 115 SER CB C 64.139 0.300 1 1135 115 115 SER N N 117.857 0.300 1 1136 116 116 GLY H H 8.062 0.030 1 1137 116 116 GLY C C 178.976 0.300 1 1138 116 116 GLY CA C 46.256 0.300 1 1139 116 116 GLY N N 116.936 0.300 1 stop_ save_