data_10121 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a putative peptidyl-tRNA hydrolase domain in a mouse hypothetical protein ; _BMRB_accession_number 10121 _BMRB_flat_file_name bmr10121.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nameki N. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Kobayashi N. . . 5 Tochio N. . . 6 Inoue M. . . 7 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" 634 "13C chemical shifts" 455 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of a peptidyl-tRNA hydrolase domain of a hypothetical 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 Nameki N. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Kobayashi N. . . 5 Tochio N. . . 6 Inoue M. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'immature colon carcinoma transcript 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'immature colon carcinoma transcript 1' $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 'peptidyl-tRNA hydrolase domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GSSGSSGEHAKQASSYIPLD RLSISYCRSSGPGGQNVNKV NSKAEVRFHLASADWIEEPV RQKIALTHKNKINKAGELVL TSESSRYQFRNLAECLQKIR DMIAEASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 HIS 10 ALA 11 LYS 12 GLN 13 ALA 14 SER 15 SER 16 TYR 17 ILE 18 PRO 19 LEU 20 ASP 21 ARG 22 LEU 23 SER 24 ILE 25 SER 26 TYR 27 CYS 28 ARG 29 SER 30 SER 31 GLY 32 PRO 33 GLY 34 GLY 35 GLN 36 ASN 37 VAL 38 ASN 39 LYS 40 VAL 41 ASN 42 SER 43 LYS 44 ALA 45 GLU 46 VAL 47 ARG 48 PHE 49 HIS 50 LEU 51 ALA 52 SER 53 ALA 54 ASP 55 TRP 56 ILE 57 GLU 58 GLU 59 PRO 60 VAL 61 ARG 62 GLN 63 LYS 64 ILE 65 ALA 66 LEU 67 THR 68 HIS 69 LYS 70 ASN 71 LYS 72 ILE 73 ASN 74 LYS 75 ALA 76 GLY 77 GLU 78 LEU 79 VAL 80 LEU 81 THR 82 SER 83 GLU 84 SER 85 SER 86 ARG 87 TYR 88 GLN 89 PHE 90 ARG 91 ASN 92 LEU 93 ALA 94 GLU 95 CYS 96 LEU 97 GLN 98 LYS 99 ILE 100 ARG 101 ASP 102 MET 103 ILE 104 ALA 105 GLU 106 ALA 107 SER 108 GLY 109 PRO 110 SER 111 SER 112 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1J26 "Solution Structure Of A Putative Peptidyl-Trna Hydrolase Domain In A Mouse Hypothetical Protein" 100.00 112 100.00 100.00 4.19e-75 DBJ BAB22632 "unnamed protein product [Mus musculus]" 89.29 177 100.00 100.00 4.21e-66 DBJ BAB22691 "unnamed protein product [Mus musculus]" 89.29 170 100.00 100.00 1.90e-66 DBJ BAE35961 "unnamed protein product [Mus musculus]" 58.04 109 100.00 100.00 6.35e-39 GB AAH28523 "Ict1 protein [Mus musculus]" 89.29 206 100.00 100.00 1.25e-65 GB EDL34481 "immature colon carcinoma transcript 1, isoform CRA_a [Mus musculus]" 89.29 177 100.00 100.00 4.21e-66 GB EDL34486 "immature colon carcinoma transcript 1, isoform CRA_f [Mus musculus]" 89.29 206 100.00 100.00 1.25e-65 REF NP_081005 "peptidyl-tRNA hydrolase ICT1, mitochondrial [Mus musculus]" 89.29 177 100.00 100.00 4.21e-66 REF XP_006534127 "PREDICTED: peptidyl-tRNA hydrolase ICT1, mitochondrial isoform X1 [Mus musculus]" 89.29 206 100.00 100.00 1.25e-65 REF XP_006997809 "PREDICTED: peptidyl-tRNA hydrolase ICT1, mitochondrial [Peromyscus maniculatus bairdii]" 89.29 208 97.00 97.00 1.21e-61 SP Q8R035 "RecName: Full=Peptidyl-tRNA hydrolase ICT1, mitochondrial; AltName: Full=39S ribosomal protein L58, mitochondrial; Short=MRP-L5" 89.29 206 100.00 100.00 1.25e-65 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 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' . . . . plasmid P020715-17 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 $entity_1 1.7 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.704 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 0.1 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'immature colon carcinoma transcript 1' _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 4 4 GLY H H 8.495 0.030 1 2 4 4 GLY C C 174.408 0.300 1 3 4 4 GLY CA C 45.410 0.300 1 4 4 4 GLY N N 110.981 0.300 1 5 5 5 SER H H 8.307 0.030 1 6 5 5 SER HA H 4.569 0.030 1 7 5 5 SER HB2 H 3.921 0.030 1 8 5 5 SER HB3 H 3.921 0.030 1 9 5 5 SER C C 174.956 0.300 1 10 5 5 SER CA C 58.340 0.300 1 11 5 5 SER CB C 64.094 0.300 1 12 5 5 SER N N 115.832 0.300 1 13 6 6 SER H H 8.495 0.030 1 14 6 6 SER HA H 4.527 0.030 1 15 6 6 SER HB2 H 3.935 0.030 1 16 6 6 SER HB3 H 3.935 0.030 1 17 6 6 SER C C 175.197 0.300 1 18 6 6 SER CA C 58.769 0.300 1 19 6 6 SER CB C 63.971 0.300 1 20 6 6 SER N N 117.988 0.300 1 21 7 7 GLY H H 8.427 0.030 1 22 7 7 GLY HA2 H 3.992 0.030 1 23 7 7 GLY HA3 H 3.992 0.030 1 24 7 7 GLY C C 174.395 0.300 1 25 7 7 GLY CA C 45.403 0.300 1 26 7 7 GLY N N 110.622 0.300 1 27 8 8 GLU H H 8.275 0.030 1 28 8 8 GLU HA H 4.217 0.030 1 29 8 8 GLU HB2 H 1.977 0.030 2 30 8 8 GLU HB3 H 1.897 0.030 2 31 8 8 GLU HG2 H 2.179 0.030 1 32 8 8 GLU HG3 H 2.179 0.030 1 33 8 8 GLU C C 176.727 0.300 1 34 8 8 GLU CA C 56.896 0.300 1 35 8 8 GLU CB C 30.187 0.300 1 36 8 8 GLU CG C 36.097 0.300 1 37 8 8 GLU N N 120.593 0.300 1 38 9 9 HIS H H 8.418 0.030 1 39 9 9 HIS HA H 4.649 0.030 1 40 9 9 HIS HB2 H 3.247 0.030 2 41 9 9 HIS HB3 H 3.137 0.030 2 42 9 9 HIS HD2 H 7.172 0.030 1 43 9 9 HIS HE1 H 8.229 0.030 1 44 9 9 HIS C C 174.963 0.300 1 45 9 9 HIS CA C 55.909 0.300 1 46 9 9 HIS CB C 29.771 0.300 1 47 9 9 HIS CD2 C 120.064 0.300 1 48 9 9 HIS CE1 C 137.512 0.300 1 49 9 9 HIS N N 119.605 0.300 1 50 10 10 ALA H H 8.226 0.030 1 51 10 10 ALA HA H 4.307 0.030 1 52 10 10 ALA HB H 1.395 0.030 1 53 10 10 ALA C C 177.925 0.300 1 54 10 10 ALA CA C 52.738 0.300 1 55 10 10 ALA CB C 19.267 0.300 1 56 10 10 ALA N N 124.725 0.300 1 57 11 11 LYS H H 8.308 0.030 1 58 11 11 LYS HA H 4.298 0.030 1 59 11 11 LYS HB2 H 1.867 0.030 2 60 11 11 LYS HB3 H 1.797 0.030 2 61 11 11 LYS HG2 H 1.437 0.030 2 62 11 11 LYS HG3 H 1.367 0.030 2 63 11 11 LYS HD2 H 1.770 0.030 2 64 11 11 LYS HD3 H 1.654 0.030 2 65 11 11 LYS HE2 H 3.017 0.030 1 66 11 11 LYS HE3 H 3.017 0.030 1 67 11 11 LYS C C 176.836 0.300 1 68 11 11 LYS CA C 56.579 0.300 1 69 11 11 LYS CB C 32.914 0.300 1 70 11 11 LYS CG C 24.794 0.300 1 71 11 11 LYS CD C 29.231 0.300 1 72 11 11 LYS CE C 42.209 0.300 1 73 11 11 LYS N N 120.593 0.300 1 74 12 12 GLN H H 8.357 0.030 1 75 12 12 GLN HA H 4.341 0.030 1 76 12 12 GLN HB2 H 2.017 0.030 2 77 12 12 GLN HB3 H 2.127 0.030 2 78 12 12 GLN HG2 H 2.390 0.030 1 79 12 12 GLN HG3 H 2.390 0.030 1 80 12 12 GLN HE21 H 7.524 0.030 2 81 12 12 GLN HE22 H 6.869 0.030 2 82 12 12 GLN C C 175.913 0.300 1 83 12 12 GLN CA C 55.887 0.300 1 84 12 12 GLN CB C 29.612 0.300 1 85 12 12 GLN CG C 33.864 0.300 1 86 12 12 GLN N N 121.401 0.300 1 87 12 12 GLN NE2 N 112.373 0.300 1 88 13 13 ALA H H 8.454 0.030 1 89 13 13 ALA HA H 4.377 0.030 1 90 13 13 ALA HB H 1.447 0.030 1 91 13 13 ALA C C 177.959 0.300 1 92 13 13 ALA CA C 52.773 0.300 1 93 13 13 ALA CB C 19.267 0.300 1 94 13 13 ALA N N 125.713 0.300 1 95 14 14 SER H H 8.390 0.030 1 96 14 14 SER HA H 4.526 0.030 1 97 14 14 SER HB2 H 3.907 0.030 1 98 14 14 SER HB3 H 3.907 0.030 1 99 14 14 SER C C 174.637 0.300 1 100 14 14 SER CA C 58.375 0.300 1 101 14 14 SER CB C 63.846 0.300 1 102 14 14 SER N N 114.933 0.300 1 103 15 15 SER H H 8.149 0.030 1 104 15 15 SER HA H 4.448 0.030 1 105 15 15 SER HB2 H 3.948 0.030 1 106 15 15 SER HB3 H 3.948 0.030 1 107 15 15 SER C C 173.730 0.300 1 108 15 15 SER CA C 58.713 0.300 1 109 15 15 SER CB C 63.902 0.300 1 110 15 15 SER N N 117.269 0.300 1 111 16 16 TYR H H 8.283 0.030 1 112 16 16 TYR HA H 4.507 0.030 1 113 16 16 TYR HB2 H 2.907 0.030 2 114 16 16 TYR HB3 H 3.077 0.030 2 115 16 16 TYR HD1 H 7.046 0.030 1 116 16 16 TYR HD2 H 7.046 0.030 1 117 16 16 TYR HE1 H 6.737 0.030 1 118 16 16 TYR HE2 H 6.737 0.030 1 119 16 16 TYR C C 174.629 0.300 1 120 16 16 TYR CA C 58.234 0.300 1 121 16 16 TYR CB C 39.002 0.300 1 122 16 16 TYR CD1 C 133.109 0.300 1 123 16 16 TYR CD2 C 133.109 0.300 1 124 16 16 TYR CE1 C 118.046 0.300 1 125 16 16 TYR CE2 C 118.046 0.300 1 126 16 16 TYR N N 123.557 0.300 1 127 17 17 ILE H H 7.547 0.030 1 128 17 17 ILE HA H 3.797 0.030 1 129 17 17 ILE HB H 1.429 0.030 1 130 17 17 ILE HG12 H 1.401 0.030 2 131 17 17 ILE HG13 H 1.046 0.030 2 132 17 17 ILE HG2 H 0.137 0.030 1 133 17 17 ILE HD1 H 0.748 0.030 1 134 17 17 ILE C C 171.264 0.300 1 135 17 17 ILE CA C 56.755 0.300 1 136 17 17 ILE CB C 39.436 0.300 1 137 17 17 ILE CG1 C 26.931 0.300 1 138 17 17 ILE CG2 C 16.905 0.300 1 139 17 17 ILE CD1 C 13.970 0.300 1 140 17 17 ILE N N 126.881 0.300 1 141 18 18 PRO HA H 4.173 0.030 1 142 18 18 PRO HB2 H 1.696 0.030 2 143 18 18 PRO HB3 H 1.761 0.030 2 144 18 18 PRO HG2 H 0.909 0.030 2 145 18 18 PRO HG3 H 1.095 0.030 2 146 18 18 PRO HD2 H 1.410 0.030 2 147 18 18 PRO HD3 H 2.627 0.030 2 148 18 18 PRO CA C 60.552 0.300 1 149 18 18 PRO CB C 29.865 0.300 1 150 18 18 PRO CG C 26.513 0.300 1 151 18 18 PRO CD C 49.617 0.300 1 152 19 19 LEU H H 7.987 0.030 1 153 19 19 LEU HA H 3.529 0.030 1 154 19 19 LEU HB2 H 1.342 0.030 2 155 19 19 LEU HB3 H 1.510 0.030 2 156 19 19 LEU HG H 1.693 0.030 1 157 19 19 LEU HD1 H 0.719 0.030 1 158 19 19 LEU HD2 H 0.887 0.030 1 159 19 19 LEU C C 178.326 0.300 1 160 19 19 LEU CA C 58.032 0.300 1 161 19 19 LEU CB C 41.220 0.300 1 162 19 19 LEU CG C 27.509 0.300 1 163 19 19 LEU CD1 C 23.959 0.300 2 164 19 19 LEU CD2 C 25.480 0.300 2 165 19 19 LEU N N 127.959 0.300 1 166 20 20 ASP H H 8.599 0.030 1 167 20 20 ASP HA H 4.377 0.030 1 168 20 20 ASP HB2 H 2.613 0.030 2 169 20 20 ASP HB3 H 2.795 0.030 2 170 20 20 ASP C C 176.788 0.300 1 171 20 20 ASP CA C 54.822 0.300 1 172 20 20 ASP CB C 39.557 0.300 1 173 20 20 ASP N N 112.829 0.300 1 174 21 21 ARG H H 7.441 0.030 1 175 21 21 ARG HA H 4.558 0.030 1 176 21 21 ARG HB2 H 1.289 0.030 2 177 21 21 ARG HB3 H 2.415 0.030 2 178 21 21 ARG HG2 H 1.552 0.030 2 179 21 21 ARG HG3 H 1.466 0.030 2 180 21 21 ARG HD2 H 3.209 0.030 1 181 21 21 ARG HD3 H 3.209 0.030 1 182 21 21 ARG HE H 7.646 0.030 1 183 21 21 ARG C C 175.759 0.300 1 184 21 21 ARG CA C 54.077 0.300 1 185 21 21 ARG CB C 28.647 0.300 1 186 21 21 ARG CG C 26.050 0.300 1 187 21 21 ARG CD C 41.739 0.300 1 188 21 21 ARG N N 117.179 0.300 1 189 21 21 ARG NE N 83.454 0.300 1 190 22 22 LEU H H 7.393 0.030 1 191 22 22 LEU HA H 4.723 0.030 1 192 22 22 LEU HB2 H 1.296 0.030 2 193 22 22 LEU HB3 H 1.800 0.030 2 194 22 22 LEU HG H 0.478 0.030 1 195 22 22 LEU HD1 H 0.367 0.030 1 196 22 22 LEU HD2 H 1.617 0.030 1 197 22 22 LEU C C 176.145 0.300 1 198 22 22 LEU CA C 53.513 0.300 1 199 22 22 LEU CB C 43.922 0.300 1 200 22 22 LEU CG C 25.631 0.300 1 201 22 22 LEU CD1 C 23.095 0.300 2 202 22 22 LEU CD2 C 25.714 0.300 2 203 22 22 LEU N N 120.144 0.300 1 204 23 23 SER H H 8.779 0.030 1 205 23 23 SER HA H 4.877 0.030 1 206 23 23 SER HB2 H 3.897 0.030 1 207 23 23 SER HB3 H 3.897 0.030 1 208 23 23 SER C C 173.776 0.300 1 209 23 23 SER CA C 57.803 0.300 1 210 23 23 SER CB C 63.049 0.300 1 211 23 23 SER N N 116.820 0.300 1 212 24 24 ILE H H 8.801 0.030 1 213 24 24 ILE HA H 4.840 0.030 1 214 24 24 ILE HB H 1.649 0.030 1 215 24 24 ILE HG12 H 0.877 0.030 2 216 24 24 ILE HG13 H 1.537 0.030 2 217 24 24 ILE HG2 H 0.627 0.030 1 218 24 24 ILE HD1 H 0.933 0.030 1 219 24 24 ILE C C 175.549 0.300 1 220 24 24 ILE CA C 60.792 0.300 1 221 24 24 ILE CB C 40.686 0.300 1 222 24 24 ILE CG1 C 28.120 0.300 1 223 24 24 ILE CG2 C 17.510 0.300 1 224 24 24 ILE CD1 C 14.151 0.300 1 225 24 24 ILE N N 129.216 0.300 1 226 25 25 SER H H 8.999 0.030 1 227 25 25 SER HA H 4.727 0.030 1 228 25 25 SER HB2 H 3.707 0.030 2 229 25 25 SER HB3 H 3.758 0.030 2 230 25 25 SER C C 171.274 0.300 1 231 25 25 SER CA C 56.854 0.300 1 232 25 25 SER CB C 65.860 0.300 1 233 25 25 SER N N 122.839 0.300 1 234 26 26 TYR H H 8.485 0.030 1 235 26 26 TYR HA H 5.541 0.030 1 236 26 26 TYR HB2 H 2.631 0.030 2 237 26 26 TYR HB3 H 3.199 0.030 2 238 26 26 TYR HD1 H 7.038 0.030 1 239 26 26 TYR HD2 H 7.038 0.030 1 240 26 26 TYR HE1 H 6.677 0.030 1 241 26 26 TYR HE2 H 6.677 0.030 1 242 26 26 TYR C C 176.181 0.300 1 243 26 26 TYR CA C 56.418 0.300 1 244 26 26 TYR CB C 40.605 0.300 1 245 26 26 TYR CD1 C 133.072 0.300 1 246 26 26 TYR CD2 C 133.072 0.300 1 247 26 26 TYR CE1 C 117.596 0.300 1 248 26 26 TYR CE2 C 117.596 0.300 1 249 26 26 TYR N N 119.964 0.300 1 250 27 27 CYS H H 8.997 0.030 1 251 27 27 CYS HA H 4.762 0.030 1 252 27 27 CYS HB2 H 3.023 0.030 2 253 27 27 CYS HB3 H 2.916 0.030 2 254 27 27 CYS C C 173.485 0.300 1 255 27 27 CYS CA C 57.276 0.300 1 256 27 27 CYS CB C 30.084 0.300 1 257 27 27 CYS N N 119.694 0.300 1 258 28 28 ARG H H 8.527 0.030 1 259 28 28 ARG HA H 4.558 0.030 1 260 28 28 ARG HB2 H 1.823 0.030 2 261 28 28 ARG HB3 H 1.883 0.030 2 262 28 28 ARG HG2 H 1.724 0.030 1 263 28 28 ARG HG3 H 1.724 0.030 1 264 28 28 ARG HD2 H 3.227 0.030 1 265 28 28 ARG HD3 H 3.227 0.030 1 266 28 28 ARG HE H 6.775 0.030 1 267 28 28 ARG C C 176.448 0.300 1 268 28 28 ARG CA C 56.402 0.300 1 269 28 28 ARG CB C 31.292 0.300 1 270 28 28 ARG CG C 27.222 0.300 1 271 28 28 ARG CD C 43.632 0.300 1 272 28 28 ARG N N 122.300 0.300 1 273 29 29 SER H H 8.587 0.030 1 274 29 29 SER HA H 4.537 0.030 1 275 29 29 SER HB2 H 3.866 0.030 2 276 29 29 SER HB3 H 3.947 0.030 2 277 29 29 SER C C 174.456 0.300 1 278 29 29 SER CA C 58.190 0.300 1 279 29 29 SER CB C 64.287 0.300 1 280 29 29 SER N N 118.347 0.300 1 281 30 30 SER H H 8.845 0.030 1 282 30 30 SER HA H 4.584 0.030 1 283 30 30 SER HB2 H 3.939 0.030 2 284 30 30 SER HB3 H 3.847 0.030 2 285 30 30 SER C C 174.651 0.300 1 286 30 30 SER CA C 58.507 0.300 1 287 30 30 SER CB C 64.287 0.300 1 288 30 30 SER N N 118.617 0.300 1 289 31 31 GLY H H 8.354 0.030 1 290 31 31 GLY HA2 H 4.114 0.030 2 291 31 31 GLY HA3 H 4.188 0.030 2 292 31 31 GLY C C 172.031 0.300 1 293 31 31 GLY CA C 44.811 0.300 1 294 31 31 GLY N N 110.442 0.300 1 295 32 32 PRO HA H 4.467 0.030 1 296 32 32 PRO HB2 H 1.988 0.030 2 297 32 32 PRO HB3 H 2.295 0.030 2 298 32 32 PRO HG2 H 2.057 0.030 1 299 32 32 PRO HG3 H 2.057 0.030 1 300 32 32 PRO HD2 H 3.659 0.030 1 301 32 32 PRO HD3 H 3.659 0.030 1 302 32 32 PRO CA C 63.578 0.300 1 303 32 32 PRO CB C 32.142 0.300 1 304 32 32 PRO CG C 27.157 0.300 1 305 32 32 PRO CD C 49.897 0.300 1 306 33 33 GLY H H 8.609 0.030 1 307 33 33 GLY HA2 H 4.044 0.030 1 308 33 33 GLY HA3 H 4.044 0.030 1 309 33 33 GLY C C 174.456 0.300 1 310 33 33 GLY CA C 45.429 0.300 1 311 33 33 GLY N N 109.534 0.300 1 312 34 34 GLY H H 8.249 0.030 1 313 34 34 GLY HA2 H 3.992 0.030 1 314 34 34 GLY HA3 H 3.992 0.030 1 315 34 34 GLY C C 174.492 0.300 1 316 34 34 GLY CA C 45.472 0.300 1 317 34 34 GLY N N 108.609 0.300 1 318 35 35 GLN H H 8.280 0.030 1 319 35 35 GLN HA H 4.316 0.030 1 320 35 35 GLN HB2 H 2.126 0.030 2 321 35 35 GLN HB3 H 2.008 0.030 2 322 35 35 GLN HG2 H 2.381 0.030 1 323 35 35 GLN HG3 H 2.381 0.030 1 324 35 35 GLN C C 175.964 0.300 1 325 35 35 GLN CA C 56.412 0.300 1 326 35 35 GLN CB C 29.483 0.300 1 327 35 35 GLN CG C 33.920 0.300 1 328 35 35 GLN N N 119.335 0.300 1 329 36 36 ASN H H 8.466 0.030 1 330 36 36 ASN HA H 4.710 0.030 1 331 36 36 ASN HB2 H 2.791 0.030 2 332 36 36 ASN HB3 H 2.882 0.030 2 333 36 36 ASN HD21 H 6.989 0.030 2 334 36 36 ASN HD22 H 7.630 0.030 2 335 36 36 ASN C C 175.503 0.300 1 336 36 36 ASN CA C 53.549 0.300 1 337 36 36 ASN CB C 38.786 0.300 1 338 36 36 ASN N N 118.976 0.300 1 339 36 36 ASN ND2 N 113.181 0.300 1 340 37 37 VAL H H 7.995 0.030 1 341 37 37 VAL HA H 4.100 0.030 1 342 37 37 VAL HB H 2.131 0.030 1 343 37 37 VAL HG1 H 0.907 0.030 1 344 37 37 VAL HG2 H 0.927 0.030 1 345 37 37 VAL C C 175.896 0.300 1 346 37 37 VAL CA C 62.991 0.300 1 347 37 37 VAL CB C 32.418 0.300 1 348 37 37 VAL CG1 C 20.489 0.300 2 349 37 37 VAL CG2 C 20.291 0.300 2 350 37 37 VAL N N 119.155 0.300 1 351 38 38 ASN H H 8.406 0.030 1 352 38 38 ASN HA H 4.710 0.030 1 353 38 38 ASN HB2 H 2.787 0.030 2 354 38 38 ASN HB3 H 2.877 0.030 2 355 38 38 ASN HD21 H 6.941 0.030 2 356 38 38 ASN HD22 H 7.599 0.030 2 357 38 38 ASN C C 174.995 0.300 1 358 38 38 ASN CA C 53.513 0.300 1 359 38 38 ASN CB C 38.869 0.300 1 360 38 38 ASN N N 120.413 0.300 1 361 38 38 ASN ND2 N 113.014 0.300 1 362 39 39 LYS H H 8.163 0.030 1 363 39 39 LYS HA H 4.302 0.030 1 364 39 39 LYS HB2 H 1.877 0.030 2 365 39 39 LYS HB3 H 1.767 0.030 2 366 39 39 LYS HG2 H 1.369 0.030 2 367 39 39 LYS HG3 H 1.441 0.030 2 368 39 39 LYS HD2 H 1.670 0.030 1 369 39 39 LYS HD3 H 1.670 0.030 1 370 39 39 LYS HE2 H 2.380 0.030 1 371 39 39 LYS HE3 H 2.380 0.030 1 372 39 39 LYS C C 176.141 0.300 1 373 39 39 LYS CA C 56.508 0.300 1 374 39 39 LYS CB C 32.914 0.300 1 375 39 39 LYS CG C 24.878 0.300 1 376 39 39 LYS CD C 29.064 0.300 1 377 39 39 LYS CE C 42.201 0.300 1 378 39 39 LYS N N 120.862 0.300 1 379 40 40 VAL H H 7.928 0.030 1 380 40 40 VAL HA H 4.127 0.030 1 381 40 40 VAL HB H 2.066 0.030 1 382 40 40 VAL HG1 H 0.890 0.030 1 383 40 40 VAL HG2 H 0.942 0.030 1 384 40 40 VAL C C 175.732 0.300 1 385 40 40 VAL CA C 62.110 0.300 1 386 40 40 VAL CB C 33.125 0.300 1 387 40 40 VAL CG1 C 21.215 0.300 2 388 40 40 VAL CG2 C 21.125 0.300 2 389 40 40 VAL N N 119.335 0.300 1 390 41 41 ASN H H 8.497 0.030 1 391 41 41 ASN HA H 4.724 0.030 1 392 41 41 ASN HB2 H 2.652 0.030 1 393 41 41 ASN HB3 H 2.652 0.030 1 394 41 41 ASN HD21 H 7.395 0.030 2 395 41 41 ASN HD22 H 6.792 0.030 2 396 41 41 ASN C C 174.918 0.300 1 397 41 41 ASN CA C 52.809 0.300 1 398 41 41 ASN CB C 38.268 0.300 1 399 41 41 ASN N N 123.737 0.300 1 400 41 41 ASN ND2 N 111.640 0.300 1 401 42 42 SER H H 8.122 0.030 1 402 42 42 SER HA H 4.477 0.030 1 403 42 42 SER HB2 H 3.757 0.030 2 404 42 42 SER HB3 H 3.697 0.030 2 405 42 42 SER C C 173.226 0.300 1 406 42 42 SER CA C 58.692 0.300 1 407 42 42 SER CB C 64.452 0.300 1 408 42 42 SER N N 115.151 0.300 1 409 43 43 LYS H H 8.194 0.030 1 410 43 43 LYS HA H 4.657 0.030 1 411 43 43 LYS HB2 H 1.878 0.030 2 412 43 43 LYS HB3 H 1.587 0.030 2 413 43 43 LYS HG2 H 1.206 0.030 2 414 43 43 LYS HG3 H 1.081 0.030 2 415 43 43 LYS HD2 H 1.547 0.030 2 416 43 43 LYS HD3 H 1.618 0.030 2 417 43 43 LYS HE2 H 2.847 0.030 2 418 43 43 LYS HE3 H 2.799 0.030 2 419 43 43 LYS C C 175.222 0.300 1 420 43 43 LYS CA C 56.431 0.300 1 421 43 43 LYS CB C 34.568 0.300 1 422 43 43 LYS CG C 24.949 0.300 1 423 43 43 LYS CD C 30.005 0.300 1 424 43 43 LYS CE C 42.125 0.300 1 425 43 43 LYS N N 122.429 0.300 1 426 44 44 ALA H H 8.534 0.030 1 427 44 44 ALA HA H 5.105 0.030 1 428 44 44 ALA HB H 1.314 0.030 1 429 44 44 ALA C C 174.869 0.300 1 430 44 44 ALA CA C 50.554 0.300 1 431 44 44 ALA CB C 22.162 0.300 1 432 44 44 ALA N N 127.150 0.300 1 433 45 45 GLU H H 8.730 0.030 1 434 45 45 GLU HA H 5.147 0.030 1 435 45 45 GLU HB2 H 1.764 0.030 2 436 45 45 GLU HB3 H 1.832 0.030 2 437 45 45 GLU HG2 H 2.071 0.030 2 438 45 45 GLU HG3 H 1.770 0.030 2 439 45 45 GLU C C 174.432 0.300 1 440 45 45 GLU CA C 54.710 0.300 1 441 45 45 GLU CB C 33.766 0.300 1 442 45 45 GLU CG C 38.106 0.300 1 443 45 45 GLU N N 121.581 0.300 1 444 46 46 VAL H H 9.230 0.030 1 445 46 46 VAL HA H 4.908 0.030 1 446 46 46 VAL HB H 1.797 0.030 1 447 46 46 VAL HG1 H 0.913 0.030 1 448 46 46 VAL HG2 H 0.936 0.030 1 449 46 46 VAL C C 173.728 0.300 1 450 46 46 VAL CA C 60.581 0.300 1 451 46 46 VAL CB C 35.157 0.300 1 452 46 46 VAL CG1 C 22.031 0.300 2 453 46 46 VAL CG2 C 23.203 0.300 2 454 46 46 VAL N N 125.893 0.300 1 455 47 47 ARG H H 8.963 0.030 1 456 47 47 ARG HA H 6.056 0.030 1 457 47 47 ARG HB2 H 1.668 0.030 1 458 47 47 ARG HB3 H 1.668 0.030 1 459 47 47 ARG HG2 H 1.622 0.030 2 460 47 47 ARG HG3 H 1.573 0.030 2 461 47 47 ARG HD2 H 3.067 0.030 1 462 47 47 ARG HD3 H 3.067 0.030 1 463 47 47 ARG HE H 7.126 0.030 1 464 47 47 ARG C C 175.671 0.300 1 465 47 47 ARG CA C 53.444 0.300 1 466 47 47 ARG CB C 36.312 0.300 1 467 47 47 ARG CG C 26.742 0.300 1 468 47 47 ARG CD C 43.632 0.300 1 469 47 47 ARG N N 122.839 0.300 1 470 47 47 ARG NE N 83.443 0.300 1 471 48 48 PHE H H 7.737 0.030 1 472 48 48 PHE HA H 5.115 0.030 1 473 48 48 PHE HB2 H 3.290 0.030 2 474 48 48 PHE HB3 H 3.757 0.030 2 475 48 48 PHE HD1 H 6.987 0.030 1 476 48 48 PHE HD2 H 6.987 0.030 1 477 48 48 PHE HE1 H 6.947 0.030 1 478 48 48 PHE HE2 H 6.947 0.030 1 479 48 48 PHE HZ H 6.814 0.030 1 480 48 48 PHE C C 173.117 0.300 1 481 48 48 PHE CA C 57.000 0.300 1 482 48 48 PHE CB C 40.275 0.300 1 483 48 48 PHE CD1 C 133.053 0.300 1 484 48 48 PHE CD2 C 133.053 0.300 1 485 48 48 PHE CE1 C 130.206 0.300 1 486 48 48 PHE CE2 C 130.206 0.300 1 487 48 48 PHE CZ C 128.722 0.300 1 488 48 48 PHE N N 112.508 0.300 1 489 49 49 HIS H H 9.362 0.030 1 490 49 49 HIS HA H 4.266 0.030 1 491 49 49 HIS HB2 H 3.187 0.030 1 492 49 49 HIS HB3 H 3.187 0.030 1 493 49 49 HIS HD2 H 7.287 0.030 1 494 49 49 HIS HE1 H 7.845 0.030 1 495 49 49 HIS C C 176.011 0.300 1 496 49 49 HIS CA C 58.821 0.300 1 497 49 49 HIS CB C 30.535 0.300 1 498 49 49 HIS CD2 C 118.857 0.300 1 499 49 49 HIS CE1 C 138.215 0.300 1 500 49 49 HIS N N 123.108 0.300 1 501 50 50 LEU H H 7.295 0.030 1 502 50 50 LEU HA H 3.995 0.030 1 503 50 50 LEU HB2 H 1.720 0.030 2 504 50 50 LEU HB3 H 0.971 0.030 2 505 50 50 LEU HG H 1.433 0.030 1 506 50 50 LEU HD1 H 0.862 0.030 1 507 50 50 LEU HD2 H 0.855 0.030 1 508 50 50 LEU C C 177.835 0.300 1 509 50 50 LEU CA C 58.904 0.300 1 510 50 50 LEU CB C 41.645 0.300 1 511 50 50 LEU CG C 27.118 0.300 1 512 50 50 LEU CD1 C 23.356 0.300 2 513 50 50 LEU CD2 C 26.716 0.300 2 514 50 50 LEU N N 132.269 0.300 1 515 51 51 ALA H H 8.661 0.030 1 516 51 51 ALA HA H 3.968 0.030 1 517 51 51 ALA HB H 1.357 0.030 1 518 51 51 ALA C C 178.756 0.300 1 519 51 51 ALA CA C 54.956 0.300 1 520 51 51 ALA CB C 18.157 0.300 1 521 51 51 ALA N N 117.449 0.300 1 522 52 52 SER H H 7.408 0.030 1 523 52 52 SER HA H 4.687 0.030 1 524 52 52 SER HB2 H 3.999 0.030 2 525 52 52 SER HB3 H 4.330 0.030 2 526 52 52 SER C C 174.656 0.300 1 527 52 52 SER CA C 57.600 0.300 1 528 52 52 SER CB C 63.049 0.300 1 529 52 52 SER N N 108.915 0.300 1 530 53 53 ALA H H 7.548 0.030 1 531 53 53 ALA HA H 4.517 0.030 1 532 53 53 ALA HB H 1.027 0.030 1 533 53 53 ALA C C 175.242 0.300 1 534 53 53 ALA CA C 51.822 0.300 1 535 53 53 ALA CB C 16.373 0.300 1 536 53 53 ALA N N 127.240 0.300 1 537 54 54 ASP H H 8.467 0.030 1 538 54 54 ASP HA H 4.286 0.030 1 539 54 54 ASP HB2 H 2.714 0.030 2 540 54 54 ASP HB3 H 2.967 0.030 2 541 54 54 ASP C C 174.796 0.300 1 542 54 54 ASP CA C 55.839 0.300 1 543 54 54 ASP CB C 40.275 0.300 1 544 54 54 ASP N N 123.916 0.300 1 545 55 55 TRP H H 7.132 0.030 1 546 55 55 TRP HA H 4.584 0.030 1 547 55 55 TRP HB2 H 3.067 0.030 2 548 55 55 TRP HB3 H 3.750 0.030 2 549 55 55 TRP HD1 H 7.166 0.030 1 550 55 55 TRP HE1 H 11.103 0.030 1 551 55 55 TRP HE3 H 7.371 0.030 1 552 55 55 TRP HZ2 H 5.897 0.030 1 553 55 55 TRP HZ3 H 6.722 0.030 1 554 55 55 TRP HH2 H 6.248 0.030 1 555 55 55 TRP C C 174.549 0.300 1 556 55 55 TRP CA C 54.148 0.300 1 557 55 55 TRP CB C 27.450 0.300 1 558 55 55 TRP CD1 C 125.278 0.300 1 559 55 55 TRP CE3 C 122.154 0.300 1 560 55 55 TRP CZ2 C 114.107 0.300 1 561 55 55 TRP CZ3 C 122.127 0.300 1 562 55 55 TRP CH2 C 124.105 0.300 1 563 55 55 TRP N N 116.011 0.300 1 564 55 55 TRP NE1 N 132.552 0.300 1 565 56 56 ILE H H 7.510 0.030 1 566 56 56 ILE HA H 4.011 0.030 1 567 56 56 ILE HB H 1.203 0.030 1 568 56 56 ILE HG12 H 0.049 0.030 2 569 56 56 ILE HG13 H -0.183 0.030 2 570 56 56 ILE HG2 H 0.816 0.030 1 571 56 56 ILE HD1 H 0.057 0.030 1 572 56 56 ILE C C 175.419 0.300 1 573 56 56 ILE CA C 60.489 0.300 1 574 56 56 ILE CB C 39.430 0.300 1 575 56 56 ILE CG1 C 26.745 0.300 1 576 56 56 ILE CG2 C 17.968 0.300 1 577 56 56 ILE CD1 C 13.141 0.300 1 578 56 56 ILE N N 124.006 0.300 1 579 57 57 GLU H H 9.147 0.030 1 580 57 57 GLU HA H 4.189 0.030 1 581 57 57 GLU HB2 H 1.996 0.030 2 582 57 57 GLU HB3 H 2.215 0.030 2 583 57 57 GLU HG2 H 2.440 0.030 2 584 57 57 GLU HG3 H 2.527 0.030 2 585 57 57 GLU C C 178.416 0.300 1 586 57 57 GLU CA C 57.831 0.300 1 587 57 57 GLU CB C 30.618 0.300 1 588 57 57 GLU CG C 37.008 0.300 1 589 57 57 GLU N N 127.878 0.300 1 590 58 58 GLU H H 9.329 0.030 1 591 58 58 GLU HA H 3.952 0.030 1 592 58 58 GLU HB2 H 2.132 0.030 2 593 58 58 GLU HB3 H 2.227 0.030 2 594 58 58 GLU HG2 H 2.322 0.030 2 595 58 58 GLU HG3 H 2.248 0.030 2 596 58 58 GLU C C 174.554 0.300 1 597 58 58 GLU CA C 62.479 0.300 1 598 58 58 GLU CB C 27.591 0.300 1 599 58 58 GLU CG C 36.559 0.300 1 600 58 58 GLU N N 125.174 0.300 1 601 59 59 PRO HA H 4.396 0.030 1 602 59 59 PRO HB2 H 1.920 0.030 2 603 59 59 PRO HB3 H 2.396 0.030 2 604 59 59 PRO HG2 H 2.107 0.030 1 605 59 59 PRO HG3 H 2.107 0.030 1 606 59 59 PRO HD2 H 3.837 0.030 2 607 59 59 PRO HD3 H 3.874 0.030 2 608 59 59 PRO CA C 65.686 0.300 1 609 59 59 PRO CB C 30.780 0.300 1 610 59 59 PRO CG C 28.645 0.300 1 611 59 59 PRO CD C 50.098 0.300 1 612 60 60 VAL H H 6.837 0.030 1 613 60 60 VAL HA H 3.659 0.030 1 614 60 60 VAL HB H 2.357 0.030 1 615 60 60 VAL HG1 H 1.047 0.030 1 616 60 60 VAL HG2 H 0.957 0.030 1 617 60 60 VAL C C 177.669 0.300 1 618 60 60 VAL CA C 65.731 0.300 1 619 60 60 VAL CB C 31.312 0.300 1 620 60 60 VAL CG1 C 23.000 0.300 2 621 60 60 VAL CG2 C 22.384 0.300 2 622 60 60 VAL N N 118.257 0.300 1 623 61 61 ARG H H 8.099 0.030 1 624 61 61 ARG HA H 3.624 0.030 1 625 61 61 ARG HB2 H 1.631 0.030 2 626 61 61 ARG HB3 H 2.074 0.030 2 627 61 61 ARG HG2 H 1.368 0.030 1 628 61 61 ARG HG3 H 1.368 0.030 1 629 61 61 ARG HD2 H 3.097 0.030 2 630 61 61 ARG HD3 H 3.503 0.030 2 631 61 61 ARG HE H 6.639 0.030 1 632 61 61 ARG C C 179.383 0.300 1 633 61 61 ARG CA C 60.877 0.300 1 634 61 61 ARG CB C 31.675 0.300 1 635 61 61 ARG CG C 28.980 0.300 1 636 61 61 ARG CD C 44.144 0.300 1 637 61 61 ARG N N 120.593 0.300 1 638 61 61 ARG NE N 85.521 0.300 1 639 62 62 GLN H H 7.890 0.030 1 640 62 62 GLN HA H 3.997 0.030 1 641 62 62 GLN HB2 H 2.088 0.030 2 642 62 62 GLN HB3 H 2.150 0.030 2 643 62 62 GLN HG2 H 2.408 0.030 2 644 62 62 GLN HG3 H 2.555 0.030 2 645 62 62 GLN HE21 H 7.587 0.030 2 646 62 62 GLN HE22 H 6.769 0.030 2 647 62 62 GLN C C 178.416 0.300 1 648 62 62 GLN CA C 58.763 0.300 1 649 62 62 GLN CB C 28.230 0.300 1 650 62 62 GLN CG C 33.695 0.300 1 651 62 62 GLN N N 116.371 0.300 1 652 62 62 GLN NE2 N 111.610 0.300 1 653 63 63 LYS H H 7.577 0.030 1 654 63 63 LYS HA H 4.176 0.030 1 655 63 63 LYS HB2 H 2.031 0.030 2 656 63 63 LYS HB3 H 2.142 0.030 2 657 63 63 LYS HG2 H 1.620 0.030 2 658 63 63 LYS HG3 H 1.710 0.030 2 659 63 63 LYS HD2 H 1.811 0.030 1 660 63 63 LYS HD3 H 1.811 0.030 1 661 63 63 LYS HE2 H 3.031 0.030 1 662 63 63 LYS HE3 H 3.031 0.030 1 663 63 63 LYS C C 179.914 0.300 1 664 63 63 LYS CA C 59.679 0.300 1 665 63 63 LYS CB C 32.627 0.300 1 666 63 63 LYS CG C 25.631 0.300 1 667 63 63 LYS CD C 29.148 0.300 1 668 63 63 LYS CE C 42.292 0.300 1 669 63 63 LYS N N 120.144 0.300 1 670 64 64 ILE H H 8.704 0.030 1 671 64 64 ILE HA H 3.722 0.030 1 672 64 64 ILE HB H 1.807 0.030 1 673 64 64 ILE HG12 H 1.938 0.030 2 674 64 64 ILE HG13 H 0.878 0.030 2 675 64 64 ILE HG2 H 0.838 0.030 1 676 64 64 ILE HD1 H 0.657 0.030 1 677 64 64 ILE C C 177.145 0.300 1 678 64 64 ILE CA C 66.479 0.300 1 679 64 64 ILE CB C 38.028 0.300 1 680 64 64 ILE CG1 C 29.714 0.300 1 681 64 64 ILE CG2 C 18.180 0.300 1 682 64 64 ILE CD1 C 14.161 0.300 1 683 64 64 ILE N N 121.311 0.300 1 684 65 65 ALA H H 7.585 0.030 1 685 65 65 ALA HA H 3.749 0.030 1 686 65 65 ALA HB H 1.387 0.030 1 687 65 65 ALA C C 178.347 0.300 1 688 65 65 ALA CA C 54.429 0.300 1 689 65 65 ALA CB C 17.861 0.300 1 690 65 65 ALA N N 119.245 0.300 1 691 66 66 LEU H H 7.237 0.030 1 692 66 66 LEU HA H 4.311 0.030 1 693 66 66 LEU HB2 H 1.872 0.030 2 694 66 66 LEU HB3 H 1.721 0.030 2 695 66 66 LEU HG H 1.757 0.030 1 696 66 66 LEU HD1 H 0.912 0.030 1 697 66 66 LEU HD2 H 0.948 0.030 1 698 66 66 LEU C C 179.383 0.300 1 699 66 66 LEU CA C 56.790 0.300 1 700 66 66 LEU CB C 42.926 0.300 1 701 66 66 LEU CG C 26.906 0.300 1 702 66 66 LEU CD1 C 23.741 0.300 2 703 66 66 LEU CD2 C 24.763 0.300 2 704 66 66 LEU N N 115.023 0.300 1 705 67 67 THR H H 8.318 0.030 1 706 67 67 THR HA H 3.919 0.030 1 707 67 67 THR HB H 3.887 0.030 1 708 67 67 THR HG2 H 0.842 0.030 1 709 67 67 THR C C 175.773 0.300 1 710 67 67 THR CA C 65.268 0.300 1 711 67 67 THR CB C 70.004 0.300 1 712 67 67 THR CG2 C 21.780 0.300 1 713 67 67 THR N N 114.574 0.300 1 714 68 68 HIS H H 8.543 0.030 1 715 68 68 HIS HA H 4.859 0.030 1 716 68 68 HIS HB2 H 3.207 0.030 2 717 68 68 HIS HB3 H 2.814 0.030 2 718 68 68 HIS HD2 H 7.043 0.030 1 719 68 68 HIS HE1 H 7.948 0.030 1 720 68 68 HIS C C 175.064 0.300 1 721 68 68 HIS CA C 55.789 0.300 1 722 68 68 HIS CB C 29.109 0.300 1 723 68 68 HIS CD2 C 118.889 0.300 1 724 68 68 HIS CE1 C 138.686 0.300 1 725 68 68 HIS N N 119.245 0.300 1 726 69 69 LYS H H 6.848 0.030 1 727 69 69 LYS HA H 3.981 0.030 1 728 69 69 LYS HB2 H 2.069 0.030 2 729 69 69 LYS HB3 H 1.943 0.030 2 730 69 69 LYS HG2 H 1.493 0.030 1 731 69 69 LYS HG3 H 1.493 0.030 1 732 69 69 LYS HD2 H 1.763 0.030 1 733 69 69 LYS HD3 H 1.763 0.030 1 734 69 69 LYS HE2 H 3.050 0.030 1 735 69 69 LYS HE3 H 3.050 0.030 1 736 69 69 LYS C C 177.919 0.300 1 737 69 69 LYS CA C 59.890 0.300 1 738 69 69 LYS CB C 32.573 0.300 1 739 69 69 LYS CG C 24.208 0.300 1 740 69 69 LYS CD C 29.566 0.300 1 741 69 69 LYS CE C 42.209 0.300 1 742 69 69 LYS N N 119.605 0.300 1 743 70 70 ASN H H 8.564 0.030 1 744 70 70 ASN HA H 4.605 0.030 1 745 70 70 ASN HB2 H 2.921 0.030 2 746 70 70 ASN HB3 H 3.018 0.030 2 747 70 70 ASN HD21 H 7.618 0.030 2 748 70 70 ASN HD22 H 6.966 0.030 2 749 70 70 ASN C C 176.157 0.300 1 750 70 70 ASN CA C 54.660 0.300 1 751 70 70 ASN CB C 37.230 0.300 1 752 70 70 ASN N N 114.810 0.300 1 753 70 70 ASN ND2 N 111.982 0.300 1 754 71 71 LYS H H 8.197 0.030 1 755 71 71 LYS HA H 4.574 0.030 1 756 71 71 LYS HB2 H 1.760 0.030 2 757 71 71 LYS HB3 H 2.429 0.030 2 758 71 71 LYS HG2 H 1.602 0.030 2 759 71 71 LYS HG3 H 1.489 0.030 2 760 71 71 LYS HD2 H 1.766 0.030 2 761 71 71 LYS HD3 H 1.650 0.030 2 762 71 71 LYS HE2 H 3.117 0.030 1 763 71 71 LYS HE3 H 3.117 0.030 1 764 71 71 LYS C C 174.860 0.300 1 765 71 71 LYS CA C 55.874 0.300 1 766 71 71 LYS CB C 33.327 0.300 1 767 71 71 LYS CG C 25.109 0.300 1 768 71 71 LYS CD C 29.399 0.300 1 769 71 71 LYS CE C 42.125 0.300 1 770 71 71 LYS N N 119.245 0.300 1 771 72 72 ILE H H 7.347 0.030 1 772 72 72 ILE HA H 4.931 0.030 1 773 72 72 ILE HB H 1.784 0.030 1 774 72 72 ILE HG12 H 0.584 0.030 2 775 72 72 ILE HG13 H 1.709 0.030 2 776 72 72 ILE HG2 H 0.847 0.030 1 777 72 72 ILE HD1 H 0.735 0.030 1 778 72 72 ILE C C 176.681 0.300 1 779 72 72 ILE CA C 59.714 0.300 1 780 72 72 ILE CB C 38.636 0.300 1 781 72 72 ILE CG1 C 28.570 0.300 1 782 72 72 ILE CG2 C 16.673 0.300 1 783 72 72 ILE CD1 C 14.765 0.300 1 784 72 72 ILE N N 122.030 0.300 1 785 73 73 ASN H H 8.727 0.030 1 786 73 73 ASN HA H 4.741 0.030 1 787 73 73 ASN HB2 H 2.961 0.030 2 788 73 73 ASN HB3 H 3.633 0.030 2 789 73 73 ASN HD21 H 8.098 0.030 2 790 73 73 ASN HD22 H 7.707 0.030 2 791 73 73 ASN C C 178.003 0.300 1 792 73 73 ASN CA C 51.651 0.300 1 793 73 73 ASN CB C 39.019 0.300 1 794 73 73 ASN N N 126.791 0.300 1 795 73 73 ASN ND2 N 112.648 0.300 1 796 74 74 LYS H H 8.360 0.030 1 797 74 74 LYS HA H 4.101 0.030 1 798 74 74 LYS HB2 H 1.895 0.030 1 799 74 74 LYS HB3 H 1.895 0.030 1 800 74 74 LYS HG2 H 1.557 0.030 1 801 74 74 LYS HG3 H 1.557 0.030 1 802 74 74 LYS HD2 H 1.717 0.030 1 803 74 74 LYS HD3 H 1.717 0.030 1 804 74 74 LYS HE2 H 3.014 0.030 1 805 74 74 LYS HE3 H 3.014 0.030 1 806 74 74 LYS C C 177.121 0.300 1 807 74 74 LYS CA C 58.869 0.300 1 808 74 74 LYS CB C 31.921 0.300 1 809 74 74 LYS CG C 25.012 0.300 1 810 74 74 LYS CD C 28.980 0.300 1 811 74 74 LYS CE C 42.125 0.300 1 812 74 74 LYS N N 118.617 0.300 1 813 75 75 ALA H H 7.523 0.030 1 814 75 75 ALA HA H 4.473 0.030 1 815 75 75 ALA HB H 1.437 0.030 1 816 75 75 ALA C C 177.380 0.300 1 817 75 75 ALA CA C 51.841 0.300 1 818 75 75 ALA CB C 18.702 0.300 1 819 75 75 ALA N N 120.862 0.300 1 820 76 76 GLY H H 8.205 0.030 1 821 76 76 GLY HA2 H 4.135 0.030 2 822 76 76 GLY HA3 H 3.528 0.030 2 823 76 76 GLY C C 174.871 0.300 1 824 76 76 GLY CA C 45.340 0.300 1 825 76 76 GLY N N 105.952 0.300 1 826 77 77 GLU H H 8.327 0.030 1 827 77 77 GLU HA H 4.623 0.030 1 828 77 77 GLU HB2 H 2.107 0.030 2 829 77 77 GLU HB3 H 1.362 0.030 2 830 77 77 GLU HG2 H 1.794 0.030 2 831 77 77 GLU HG3 H 2.176 0.030 2 832 77 77 GLU C C 175.010 0.300 1 833 77 77 GLU CA C 54.148 0.300 1 834 77 77 GLU CB C 29.678 0.300 1 835 77 77 GLU CG C 36.100 0.300 1 836 77 77 GLU N N 119.694 0.300 1 837 78 78 LEU H H 8.134 0.030 1 838 78 78 LEU HA H 4.297 0.030 1 839 78 78 LEU HB2 H 0.689 0.030 2 840 78 78 LEU HB3 H 0.921 0.030 2 841 78 78 LEU HG H 1.230 0.030 1 842 78 78 LEU HD1 H 0.650 0.030 1 843 78 78 LEU HD2 H 0.709 0.030 1 844 78 78 LEU C C 174.997 0.300 1 845 78 78 LEU CA C 54.750 0.300 1 846 78 78 LEU CB C 43.023 0.300 1 847 78 78 LEU CG C 27.641 0.300 1 848 78 78 LEU CD1 C 25.329 0.300 2 849 78 78 LEU CD2 C 25.959 0.300 2 850 78 78 LEU N N 125.922 0.300 1 851 79 79 VAL H H 7.928 0.030 1 852 79 79 VAL HA H 4.632 0.030 1 853 79 79 VAL HB H 1.951 0.030 1 854 79 79 VAL HG1 H 0.764 0.030 1 855 79 79 VAL HG2 H 0.804 0.030 1 856 79 79 VAL C C 174.928 0.300 1 857 79 79 VAL CA C 61.688 0.300 1 858 79 79 VAL CB C 33.233 0.300 1 859 79 79 VAL CG1 C 21.271 0.300 2 860 79 79 VAL CG2 C 20.740 0.300 2 861 79 79 VAL N N 124.905 0.300 1 862 80 80 LEU H H 9.131 0.030 1 863 80 80 LEU HA H 4.938 0.030 1 864 80 80 LEU HB2 H 1.690 0.030 2 865 80 80 LEU HB3 H 1.531 0.030 2 866 80 80 LEU HG H 1.693 0.030 1 867 80 80 LEU HD1 H 0.917 0.030 1 868 80 80 LEU HD2 H 0.936 0.030 1 869 80 80 LEU C C 175.404 0.300 1 870 80 80 LEU CA C 52.806 0.300 1 871 80 80 LEU CB C 45.332 0.300 1 872 80 80 LEU CG C 27.681 0.300 1 873 80 80 LEU CD1 C 24.564 0.300 2 874 80 80 LEU CD2 C 26.133 0.300 2 875 80 80 LEU N N 127.878 0.300 1 876 81 81 THR H H 8.236 0.030 1 877 81 81 THR HA H 5.560 0.030 1 878 81 81 THR HB H 4.006 0.030 1 879 81 81 THR HG2 H 1.164 0.030 1 880 81 81 THR C C 174.642 0.300 1 881 81 81 THR CA C 59.685 0.300 1 882 81 81 THR CB C 72.709 0.300 1 883 81 81 THR CG2 C 21.584 0.300 1 884 81 81 THR N N 110.855 0.300 1 885 82 82 SER H H 8.349 0.030 1 886 82 82 SER HA H 4.613 0.030 1 887 82 82 SER HB2 H 3.952 0.030 1 888 82 82 SER HB3 H 3.952 0.030 1 889 82 82 SER CA C 58.642 0.300 1 890 82 82 SER CB C 64.752 0.300 1 891 82 82 SER N N 114.050 0.300 1 892 83 83 GLU H H 9.127 0.030 1 893 83 83 GLU HA H 4.962 0.030 1 894 83 83 GLU HB2 H 2.227 0.030 2 895 83 83 GLU HB3 H 1.817 0.030 2 896 83 83 GLU HG2 H 2.188 0.030 1 897 83 83 GLU HG3 H 2.188 0.030 1 898 83 83 GLU C C 175.457 0.300 1 899 83 83 GLU CA C 54.770 0.300 1 900 83 83 GLU CB C 30.632 0.300 1 901 83 83 GLU CG C 35.400 0.300 1 902 83 83 GLU N N 125.929 0.300 1 903 84 84 SER H H 7.797 0.030 1 904 84 84 SER HA H 4.286 0.030 1 905 84 84 SER HB2 H 3.927 0.030 1 906 84 84 SER HB3 H 3.927 0.030 1 907 84 84 SER C C 174.500 0.300 1 908 84 84 SER CA C 60.512 0.300 1 909 84 84 SER CB C 63.507 0.300 1 910 84 84 SER N N 116.872 0.300 1 911 85 85 SER H H 8.927 0.030 1 912 85 85 SER HA H 4.788 0.030 1 913 85 85 SER HB2 H 3.921 0.030 2 914 85 85 SER HB3 H 3.665 0.030 2 915 85 85 SER C C 174.956 0.300 1 916 85 85 SER CA C 56.452 0.300 1 917 85 85 SER CB C 65.178 0.300 1 918 85 85 SER N N 116.423 0.300 1 919 86 86 ARG H H 8.588 0.030 1 920 86 86 ARG HA H 4.237 0.030 1 921 86 86 ARG HB2 H 1.527 0.030 2 922 86 86 ARG HB3 H 1.487 0.030 2 923 86 86 ARG HG2 H 1.361 0.030 2 924 86 86 ARG HG3 H 1.051 0.030 2 925 86 86 ARG HD2 H 3.021 0.030 1 926 86 86 ARG HD3 H 3.021 0.030 1 927 86 86 ARG C C 175.572 0.300 1 928 86 86 ARG CA C 57.038 0.300 1 929 86 86 ARG CB C 29.929 0.300 1 930 86 86 ARG CG C 26.378 0.300 1 931 86 86 ARG CD C 43.464 0.300 1 932 86 86 ARG N N 122.669 0.300 1 933 87 87 TYR H H 8.426 0.030 1 934 87 87 TYR HA H 4.656 0.030 1 935 87 87 TYR HB2 H 2.612 0.030 1 936 87 87 TYR HB3 H 2.612 0.030 1 937 87 87 TYR HD1 H 7.139 0.030 1 938 87 87 TYR HD2 H 7.139 0.030 1 939 87 87 TYR HE1 H 6.908 0.030 1 940 87 87 TYR HE2 H 6.908 0.030 1 941 87 87 TYR C C 176.082 0.300 1 942 87 87 TYR CA C 56.728 0.300 1 943 87 87 TYR CB C 38.322 0.300 1 944 87 87 TYR CD1 C 133.246 0.300 1 945 87 87 TYR CD2 C 133.246 0.300 1 946 87 87 TYR CE1 C 118.383 0.300 1 947 87 87 TYR CE2 C 118.383 0.300 1 948 87 87 TYR N N 119.606 0.300 1 949 88 88 GLN H H 9.016 0.030 1 950 88 88 GLN HA H 4.258 0.030 1 951 88 88 GLN HB2 H 2.117 0.030 2 952 88 88 GLN HE21 H 6.646 0.030 2 953 88 88 GLN C C 180.110 0.300 1 954 88 88 GLN CA C 59.589 0.300 1 955 88 88 GLN N N 126.104 0.300 1 956 88 88 GLN NE2 N 110.375 0.300 1 957 89 89 PHE H H 8.550 0.030 1 958 89 89 PHE HA H 4.593 0.030 1 959 89 89 PHE HB2 H 3.220 0.030 2 960 89 89 PHE HB3 H 3.119 0.030 2 961 89 89 PHE HD1 H 7.247 0.030 1 962 89 89 PHE HD2 H 7.247 0.030 1 963 89 89 PHE HE1 H 7.238 0.030 1 964 89 89 PHE HE2 H 7.238 0.030 1 965 89 89 PHE HZ H 7.041 0.030 1 966 89 89 PHE CA C 56.553 0.300 1 967 89 89 PHE CB C 37.862 0.300 1 968 89 89 PHE CD1 C 131.767 0.300 1 969 89 89 PHE CD2 C 131.767 0.300 1 970 89 89 PHE CE1 C 131.739 0.300 1 971 89 89 PHE CE2 C 131.739 0.300 1 972 89 89 PHE CZ C 130.241 0.300 1 973 90 90 ARG HA H 4.099 0.030 1 974 90 90 ARG HB2 H 2.006 0.030 1 975 90 90 ARG HB3 H 2.006 0.030 1 976 90 90 ARG HG2 H 1.593 0.030 1 977 90 90 ARG HG3 H 1.593 0.030 1 978 90 90 ARG HD2 H 3.217 0.030 1 979 90 90 ARG HD3 H 3.217 0.030 1 980 90 90 ARG HE H 8.025 0.030 1 981 90 90 ARG CA C 58.389 0.300 1 982 90 90 ARG CB C 29.352 0.300 1 983 90 90 ARG CG C 27.482 0.300 1 984 90 90 ARG CD C 43.017 0.300 1 985 90 90 ARG NE N 80.742 0.300 1 986 91 91 ASN HA H 4.709 0.030 1 987 91 91 ASN HB2 H 3.029 0.030 2 988 91 91 ASN HB3 H 3.073 0.030 2 989 91 91 ASN HD21 H 7.645 0.030 2 990 91 91 ASN HD22 H 7.363 0.030 2 991 91 91 ASN CB C 37.443 0.300 1 992 91 91 ASN ND2 N 114.843 0.300 1 993 92 92 LEU H H 8.515 0.030 1 994 92 92 LEU HA H 3.930 0.030 1 995 92 92 LEU HB2 H 2.147 0.030 2 996 92 92 LEU HB3 H 1.777 0.030 2 997 92 92 LEU HG H 1.492 0.030 1 998 92 92 LEU HD1 H 1.087 0.030 1 999 92 92 LEU HD2 H 0.867 0.030 1 1000 92 92 LEU C C 178.023 0.300 1 1001 92 92 LEU CA C 58.775 0.300 1 1002 92 92 LEU CB C 40.919 0.300 1 1003 92 92 LEU CG C 27.505 0.300 1 1004 92 92 LEU CD1 C 25.237 0.300 2 1005 92 92 LEU CD2 C 23.372 0.300 2 1006 92 92 LEU N N 122.586 0.300 1 1007 93 93 ALA H H 7.947 0.030 1 1008 93 93 ALA HA H 3.871 0.030 1 1009 93 93 ALA HB H 1.562 0.030 1 1010 93 93 ALA C C 180.468 0.300 1 1011 93 93 ALA CA C 55.543 0.300 1 1012 93 93 ALA CB C 17.861 0.300 1 1013 93 93 ALA N N 120.215 0.300 1 1014 94 94 GLU H H 8.057 0.030 1 1015 94 94 GLU HA H 4.151 0.030 1 1016 94 94 GLU HB2 H 2.327 0.030 1 1017 94 94 GLU HB3 H 2.327 0.030 1 1018 94 94 GLU HG2 H 2.525 0.030 2 1019 94 94 GLU HG3 H 2.313 0.030 2 1020 94 94 GLU C C 179.377 0.300 1 1021 94 94 GLU CA C 59.550 0.300 1 1022 94 94 GLU CB C 29.531 0.300 1 1023 94 94 GLU CG C 36.645 0.300 1 1024 94 94 GLU N N 119.245 0.300 1 1025 95 95 CYS H H 7.735 0.030 1 1026 95 95 CYS HA H 3.786 0.030 1 1027 95 95 CYS HB2 H 3.352 0.030 2 1028 95 95 CYS HB3 H 2.358 0.030 2 1029 95 95 CYS C C 176.618 0.300 1 1030 95 95 CYS CA C 65.632 0.300 1 1031 95 95 CYS CB C 27.454 0.300 1 1032 95 95 CYS N N 117.808 0.300 1 1033 96 96 LEU H H 8.141 0.030 1 1034 96 96 LEU HA H 3.844 0.030 1 1035 96 96 LEU HB2 H 1.731 0.030 2 1036 96 96 LEU HB3 H 1.492 0.030 2 1037 96 96 LEU HG H 1.734 0.030 1 1038 96 96 LEU HD1 H 0.515 0.030 1 1039 96 96 LEU HD2 H 0.515 0.030 1 1040 96 96 LEU C C 178.747 0.300 1 1041 96 96 LEU CA C 57.966 0.300 1 1042 96 96 LEU CB C 45.517 0.300 1 1043 96 96 LEU CG C 26.601 0.300 1 1044 96 96 LEU CD1 C 22.307 0.300 1 1045 96 96 LEU CD2 C 22.307 0.300 1 1046 96 96 LEU N N 117.089 0.300 1 1047 97 97 GLN H H 8.185 0.030 1 1048 97 97 GLN HA H 3.834 0.030 1 1049 97 97 GLN HB2 H 2.268 0.030 2 1050 97 97 GLN HB3 H 2.217 0.030 2 1051 97 97 GLN HG2 H 2.479 0.030 1 1052 97 97 GLN HG3 H 2.479 0.030 1 1053 97 97 GLN HE21 H 7.133 0.030 2 1054 97 97 GLN HE22 H 8.078 0.030 2 1055 97 97 GLN C C 177.544 0.300 1 1056 97 97 GLN CA C 58.340 0.300 1 1057 97 97 GLN CB C 27.664 0.300 1 1058 97 97 GLN CG C 33.418 0.300 1 1059 97 97 GLN N N 119.245 0.300 1 1060 97 97 GLN NE2 N 117.404 0.300 1 1061 98 98 LYS H H 7.983 0.030 1 1062 98 98 LYS HA H 4.207 0.030 1 1063 98 98 LYS HB2 H 1.888 0.030 2 1064 98 98 LYS HB3 H 2.137 0.030 2 1065 98 98 LYS HG2 H 1.793 0.030 2 1066 98 98 LYS HG3 H 1.643 0.030 2 1067 98 98 LYS HD2 H 1.687 0.030 2 1068 98 98 LYS HD3 H 1.852 0.030 2 1069 98 98 LYS HE2 H 3.037 0.030 1 1070 98 98 LYS HE3 H 3.037 0.030 1 1071 98 98 LYS C C 179.737 0.300 1 1072 98 98 LYS CA C 59.573 0.300 1 1073 98 98 LYS CB C 32.235 0.300 1 1074 98 98 LYS CG C 25.830 0.300 1 1075 98 98 LYS CD C 29.675 0.300 1 1076 98 98 LYS CE C 42.310 0.300 1 1077 98 98 LYS N N 118.706 0.300 1 1078 99 99 ILE H H 7.599 0.030 1 1079 99 99 ILE HA H 3.687 0.030 1 1080 99 99 ILE HB H 2.107 0.030 1 1081 99 99 ILE HG12 H 0.898 0.030 1 1082 99 99 ILE HG13 H 0.898 0.030 1 1083 99 99 ILE HG2 H 1.018 0.030 1 1084 99 99 ILE HD1 H 0.917 0.030 1 1085 99 99 ILE C C 177.503 0.300 1 1086 99 99 ILE CA C 66.233 0.300 1 1087 99 99 ILE CB C 37.758 0.300 1 1088 99 99 ILE CG1 C 30.005 0.300 1 1089 99 99 ILE CG2 C 17.928 0.300 1 1090 99 99 ILE CD1 C 14.424 0.300 1 1091 99 99 ILE N N 119.245 0.300 1 1092 100 100 ARG H H 7.967 0.030 1 1093 100 100 ARG HA H 3.913 0.030 1 1094 100 100 ARG HB2 H 2.055 0.030 2 1095 100 100 ARG HB3 H 1.947 0.030 2 1096 100 100 ARG HG2 H 1.623 0.030 2 1097 100 100 ARG HG3 H 1.936 0.030 2 1098 100 100 ARG HD2 H 3.291 0.030 2 1099 100 100 ARG HD3 H 3.192 0.030 2 1100 100 100 ARG HE H 7.240 0.030 1 1101 100 100 ARG C C 179.745 0.300 1 1102 100 100 ARG CA C 60.611 0.300 1 1103 100 100 ARG CB C 29.680 0.300 1 1104 100 100 ARG CG C 28.655 0.300 1 1105 100 100 ARG CD C 43.684 0.300 1 1106 100 100 ARG N N 119.057 0.300 1 1107 100 100 ARG NE N 85.003 0.300 1 1108 101 101 ASP H H 9.045 0.030 1 1109 101 101 ASP HA H 4.476 0.030 1 1110 101 101 ASP HB2 H 2.778 0.030 2 1111 101 101 ASP HB3 H 2.886 0.030 2 1112 101 101 ASP C C 178.822 0.300 1 1113 101 101 ASP CA C 57.566 0.300 1 1114 101 101 ASP CB C 39.947 0.300 1 1115 101 101 ASP N N 121.042 0.300 1 1116 102 102 MET H H 8.289 0.030 1 1117 102 102 MET HA H 4.207 0.030 1 1118 102 102 MET HB2 H 2.255 0.030 2 1119 102 102 MET HB3 H 1.955 0.030 2 1120 102 102 MET HG2 H 2.694 0.030 1 1121 102 102 MET HG3 H 2.694 0.030 1 1122 102 102 MET HE H 1.527 0.030 1 1123 102 102 MET C C 179.373 0.300 1 1124 102 102 MET CA C 59.538 0.300 1 1125 102 102 MET CB C 33.054 0.300 1 1126 102 102 MET CG C 32.312 0.300 1 1127 102 102 MET CE C 16.786 0.300 1 1128 102 102 MET N N 121.311 0.300 1 1129 103 103 ILE H H 8.218 0.030 1 1130 103 103 ILE HA H 3.550 0.030 1 1131 103 103 ILE HB H 1.938 0.030 1 1132 103 103 ILE HG12 H 1.865 0.030 2 1133 103 103 ILE HG13 H 0.764 0.030 2 1134 103 103 ILE HG2 H 0.986 0.030 1 1135 103 103 ILE HD1 H 0.933 0.030 1 1136 103 103 ILE C C 178.743 0.300 1 1137 103 103 ILE CA C 65.880 0.300 1 1138 103 103 ILE CB C 38.740 0.300 1 1139 103 103 ILE CG1 C 29.831 0.300 1 1140 103 103 ILE CG2 C 16.888 0.300 1 1141 103 103 ILE CD1 C 14.737 0.300 1 1142 103 103 ILE N N 121.042 0.300 1 1143 104 104 ALA H H 8.402 0.030 1 1144 104 104 ALA HA H 4.137 0.030 1 1145 104 104 ALA HB H 1.590 0.030 1 1146 104 104 ALA C C 181.084 0.300 1 1147 104 104 ALA CA C 55.557 0.300 1 1148 104 104 ALA CB C 18.223 0.300 1 1149 104 104 ALA N N 124.186 0.300 1 1150 105 105 GLU H H 8.392 0.030 1 1151 105 105 GLU HA H 4.102 0.030 1 1152 105 105 GLU HB2 H 2.233 0.030 1 1153 105 105 GLU HB3 H 2.233 0.030 1 1154 105 105 GLU HG2 H 2.437 0.030 2 1155 105 105 GLU HG3 H 2.397 0.030 2 1156 105 105 GLU C C 178.043 0.300 1 1157 105 105 GLU CA C 58.652 0.300 1 1158 105 105 GLU CB C 30.050 0.300 1 1159 105 105 GLU CG C 36.151 0.300 1 1160 105 105 GLU N N 118.437 0.300 1 1161 106 106 ALA H H 7.517 0.030 1 1162 106 106 ALA HA H 4.413 0.030 1 1163 106 106 ALA HB H 1.660 0.030 1 1164 106 106 ALA C C 177.108 0.300 1 1165 106 106 ALA CA C 52.879 0.300 1 1166 106 106 ALA CB C 20.971 0.300 1 1167 106 106 ALA N N 119.694 0.300 1 1168 107 107 SER H H 7.668 0.030 1 1169 107 107 SER HA H 4.506 0.030 1 1170 107 107 SER HB2 H 4.050 0.030 2 1171 107 107 SER HB3 H 3.979 0.030 2 1172 107 107 SER C C 174.356 0.300 1 1173 107 107 SER CA C 59.573 0.300 1 1174 107 107 SER CB C 64.211 0.300 1 1175 107 107 SER N N 113.406 0.300 1 1176 108 108 GLY H H 7.877 0.030 1 1177 108 108 GLY HA2 H 4.243 0.030 2 1178 108 108 GLY HA3 H 4.107 0.030 2 1179 108 108 GLY C C 171.673 0.300 1 1180 108 108 GLY CA C 44.809 0.300 1 1181 108 108 GLY N N 109.593 0.300 1 1182 109 109 PRO HA H 4.531 0.030 1 1183 109 109 PRO HB2 H 2.002 0.030 2 1184 109 109 PRO HB3 H 2.311 0.030 2 1185 109 109 PRO HG2 H 2.049 0.030 1 1186 109 109 PRO HG3 H 2.049 0.030 1 1187 109 109 PRO HD2 H 3.674 0.030 1 1188 109 109 PRO HD3 H 3.674 0.030 1 1189 109 109 PRO CA C 63.234 0.300 1 1190 109 109 PRO CB C 32.189 0.300 1 1191 109 109 PRO CG C 27.252 0.300 1 1192 109 109 PRO CD C 49.921 0.300 1 1193 110 110 SER H H 8.561 0.030 1 1194 110 110 SER HA H 4.518 0.030 1 1195 110 110 SER HB2 H 3.935 0.030 1 1196 110 110 SER HB3 H 3.935 0.030 1 1197 110 110 SER CA C 58.535 0.300 1 1198 110 110 SER CB C 63.974 0.300 1 1199 110 110 SER N N 116.632 0.300 1 1200 111 111 SER H H 8.380 0.030 1 1201 111 111 SER HA H 4.509 0.030 1 1202 111 111 SER HB2 H 3.927 0.030 1 1203 111 111 SER HB3 H 3.927 0.030 1 1204 111 111 SER CA C 58.454 0.300 1 1205 111 111 SER CB C 64.218 0.300 1 1206 111 111 SER N N 117.933 0.300 1 stop_ save_