data_11281 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the UBX domain in Mouse UBX Domain-Containing Protein 2 ; _BMRB_accession_number 11281 _BMRB_flat_file_name bmr11281.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 Yoneyama M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 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" 579 "13C chemical shifts" 450 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the UBX domain in Mouse UBX Domain-Containing Protein 2' _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 Yoneyama M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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 'UBX domain-containing protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UBX domain' $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 'UBX domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; GSSGSSGRDRSTIARIQFRL PDGSSFTNQFPSDAPLEEAR QFAAQTVGNTYGNFSLATMF PRREFTREDYKRRLLDLELA PSASVVLLPAGRPATSIVHS SSGDILMID ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ASP 10 ARG 11 SER 12 THR 13 ILE 14 ALA 15 ARG 16 ILE 17 GLN 18 PHE 19 ARG 20 LEU 21 PRO 22 ASP 23 GLY 24 SER 25 SER 26 PHE 27 THR 28 ASN 29 GLN 30 PHE 31 PRO 32 SER 33 ASP 34 ALA 35 PRO 36 LEU 37 GLU 38 GLU 39 ALA 40 ARG 41 GLN 42 PHE 43 ALA 44 ALA 45 GLN 46 THR 47 VAL 48 GLY 49 ASN 50 THR 51 TYR 52 GLY 53 ASN 54 PHE 55 SER 56 LEU 57 ALA 58 THR 59 MET 60 PHE 61 PRO 62 ARG 63 ARG 64 GLU 65 PHE 66 THR 67 ARG 68 GLU 69 ASP 70 TYR 71 LYS 72 ARG 73 ARG 74 LEU 75 LEU 76 ASP 77 LEU 78 GLU 79 LEU 80 ALA 81 PRO 82 SER 83 ALA 84 SER 85 VAL 86 VAL 87 LEU 88 LEU 89 PRO 90 ALA 91 GLY 92 ARG 93 PRO 94 ALA 95 THR 96 SER 97 ILE 98 VAL 99 HIS 100 SER 101 SER 102 SER 103 GLY 104 ASP 105 ILE 106 LEU 107 MET 108 ILE 109 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2DZK "Structure Of The Ubx Domain In Mouse Ubx Domain-Containing Protein 2" 100.00 109 100.00 100.00 6.12e-71 DBJ BAC97908 "mKIAA0242 protein [Mus musculus]" 91.74 194 97.00 98.00 5.34e-62 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' . Escherichia coli . plasmid P060227-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.18mM UBX domain U-15N, {13C;} 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.18 mM '[U-13C; U-15N]' d-Tris-HCl 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 20031121 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 0.9748 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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_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 7.0 0.05 pH pressure 1 0.001 atm temperature 296.0 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 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 'UBX domain' _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 7 7 GLY C C 174.371 0.300 1 2 7 7 GLY CA C 45.600 0.300 1 3 8 8 ARG H H 8.159 0.030 1 4 8 8 ARG HA H 4.317 0.030 1 5 8 8 ARG HB2 H 1.809 0.030 1 6 8 8 ARG HB3 H 1.809 0.030 1 7 8 8 ARG HD2 H 3.197 0.030 1 8 8 8 ARG HD3 H 3.197 0.030 1 9 8 8 ARG HG2 H 1.650 0.030 1 10 8 8 ARG HG3 H 1.650 0.030 1 11 8 8 ARG C C 176.268 0.300 1 12 8 8 ARG CA C 56.383 0.300 1 13 8 8 ARG CB C 30.768 0.300 1 14 8 8 ARG CD C 43.434 0.300 1 15 8 8 ARG CG C 27.175 0.300 1 16 8 8 ARG N N 120.488 0.300 1 17 9 9 ASP H H 8.396 0.030 1 18 9 9 ASP HA H 4.549 0.030 1 19 9 9 ASP HB2 H 2.692 0.030 2 20 9 9 ASP HB3 H 2.630 0.030 2 21 9 9 ASP C C 176.379 0.300 1 22 9 9 ASP CA C 54.602 0.300 1 23 9 9 ASP CB C 41.174 0.300 1 24 9 9 ASP N N 120.998 0.300 1 25 10 10 ARG H H 8.285 0.030 1 26 10 10 ARG HA H 4.331 0.030 1 27 10 10 ARG HB2 H 1.860 0.030 2 28 10 10 ARG HB3 H 1.758 0.030 2 29 10 10 ARG HD2 H 3.197 0.030 1 30 10 10 ARG HD3 H 3.197 0.030 1 31 10 10 ARG HG2 H 1.609 0.030 1 32 10 10 ARG HG3 H 1.609 0.030 1 33 10 10 ARG C C 176.468 0.300 1 34 10 10 ARG CA C 56.191 0.300 1 35 10 10 ARG CB C 30.541 0.300 1 36 10 10 ARG CD C 43.191 0.300 1 37 10 10 ARG CG C 26.909 0.300 1 38 10 10 ARG N N 121.523 0.300 1 39 11 11 SER H H 8.375 0.030 1 40 11 11 SER HA H 4.474 0.030 1 41 11 11 SER HB2 H 3.874 0.030 1 42 11 11 SER HB3 H 3.874 0.030 1 43 11 11 SER C C 175.565 0.300 1 44 11 11 SER CA C 58.939 0.300 1 45 11 11 SER CB C 63.872 0.300 1 46 11 11 SER N N 116.255 0.300 1 47 12 12 THR HA H 4.360 0.030 1 48 12 12 THR HB H 4.441 0.030 1 49 12 12 THR HG2 H 1.231 0.030 1 50 12 12 THR C C 174.813 0.300 1 51 12 12 THR CA C 62.416 0.300 1 52 12 12 THR CB C 69.346 0.300 1 53 12 12 THR CG2 C 22.092 0.300 1 54 13 13 ILE H H 7.866 0.030 1 55 13 13 ILE HA H 4.767 0.030 1 56 13 13 ILE HB H 1.693 0.030 1 57 13 13 ILE HD1 H 0.722 0.030 1 58 13 13 ILE HG12 H 1.408 0.030 2 59 13 13 ILE HG13 H 1.099 0.030 2 60 13 13 ILE HG2 H 0.783 0.030 1 61 13 13 ILE C C 174.292 0.300 1 62 13 13 ILE CA C 59.545 0.300 1 63 13 13 ILE CB C 41.746 0.300 1 64 13 13 ILE CD1 C 12.792 0.300 1 65 13 13 ILE CG1 C 26.743 0.300 1 66 13 13 ILE CG2 C 18.439 0.300 1 67 13 13 ILE N N 122.110 0.300 1 68 14 14 ALA H H 9.402 0.030 1 69 14 14 ALA HA H 4.752 0.030 1 70 14 14 ALA HB H 1.089 0.030 1 71 14 14 ALA C C 175.352 0.300 1 72 14 14 ALA CA C 50.258 0.300 1 73 14 14 ALA CB C 21.435 0.300 1 74 14 14 ALA N N 126.518 0.300 1 75 15 15 ARG H H 8.567 0.030 1 76 15 15 ARG HA H 4.713 0.030 1 77 15 15 ARG HB2 H 1.696 0.030 2 78 15 15 ARG HB3 H 1.858 0.030 2 79 15 15 ARG HD2 H 3.191 0.030 1 80 15 15 ARG HD3 H 3.191 0.030 1 81 15 15 ARG HG2 H 1.350 0.030 2 82 15 15 ARG HG3 H 1.452 0.030 2 83 15 15 ARG C C 174.653 0.300 1 84 15 15 ARG CA C 55.819 0.300 1 85 15 15 ARG CB C 30.609 0.300 1 86 15 15 ARG CD C 43.440 0.300 1 87 15 15 ARG CG C 27.822 0.300 1 88 15 15 ARG N N 125.394 0.300 1 89 16 16 ILE H H 8.695 0.030 1 90 16 16 ILE HA H 4.818 0.030 1 91 16 16 ILE HB H 1.838 0.030 1 92 16 16 ILE HD1 H 0.544 0.030 1 93 16 16 ILE HG12 H 1.251 0.030 1 94 16 16 ILE HG13 H 1.251 0.030 1 95 16 16 ILE HG2 H -0.148 0.030 1 96 16 16 ILE C C 173.855 0.300 1 97 16 16 ILE CA C 58.781 0.300 1 98 16 16 ILE CB C 39.122 0.300 1 99 16 16 ILE CD1 C 12.210 0.300 1 100 16 16 ILE CG1 C 27.158 0.300 1 101 16 16 ILE CG2 C 16.778 0.300 1 102 16 16 ILE N N 127.328 0.300 1 103 17 17 GLN H H 8.513 0.030 1 104 17 17 GLN HA H 4.853 0.030 1 105 17 17 GLN HB2 H 1.907 0.030 2 106 17 17 GLN HB3 H 2.121 0.030 2 107 17 17 GLN HE21 H 6.918 0.030 2 108 17 17 GLN HE22 H 7.298 0.030 2 109 17 17 GLN HG2 H 1.841 0.030 2 110 17 17 GLN HG3 H 2.198 0.030 2 111 17 17 GLN C C 173.641 0.300 1 112 17 17 GLN CA C 54.244 0.300 1 113 17 17 GLN CB C 30.743 0.300 1 114 17 17 GLN CG C 34.466 0.300 1 115 17 17 GLN N N 127.473 0.300 1 116 17 17 GLN NE2 N 111.875 0.300 1 117 18 18 PHE H H 9.515 0.030 1 118 18 18 PHE HA H 4.715 0.030 1 119 18 18 PHE HB2 H 1.623 0.030 2 120 18 18 PHE HB3 H 1.786 0.030 2 121 18 18 PHE HD1 H 6.973 0.030 1 122 18 18 PHE HD2 H 6.973 0.030 1 123 18 18 PHE HE1 H 7.201 0.030 1 124 18 18 PHE HE2 H 7.201 0.030 1 125 18 18 PHE HZ H 7.359 0.030 1 126 18 18 PHE C C 174.591 0.300 1 127 18 18 PHE CA C 56.233 0.300 1 128 18 18 PHE CB C 39.407 0.300 1 129 18 18 PHE CD1 C 133.561 0.300 1 130 18 18 PHE CD2 C 133.561 0.300 1 131 18 18 PHE CE1 C 129.955 0.300 1 132 18 18 PHE CE2 C 129.955 0.300 1 133 18 18 PHE CZ C 128.631 0.300 1 134 18 18 PHE N N 126.737 0.300 1 135 19 19 ARG H H 9.026 0.030 1 136 19 19 ARG HA H 4.601 0.030 1 137 19 19 ARG HB2 H 1.710 0.030 2 138 19 19 ARG HB3 H 1.908 0.030 2 139 19 19 ARG HD2 H 3.049 0.030 2 140 19 19 ARG HD3 H 3.091 0.030 2 141 19 19 ARG HG2 H 1.467 0.030 2 142 19 19 ARG HG3 H 1.570 0.030 2 143 19 19 ARG C C 175.532 0.300 1 144 19 19 ARG CA C 55.199 0.300 1 145 19 19 ARG CB C 31.205 0.300 1 146 19 19 ARG CD C 43.185 0.300 1 147 19 19 ARG CG C 27.407 0.300 1 148 19 19 ARG N N 121.616 0.300 1 149 20 20 LEU H H 8.607 0.030 1 150 20 20 LEU HA H 4.631 0.030 1 151 20 20 LEU HB2 H 1.443 0.030 2 152 20 20 LEU HB3 H 1.985 0.030 2 153 20 20 LEU HD1 H 1.006 0.030 1 154 20 20 LEU HD2 H 0.817 0.030 1 155 20 20 LEU HG H 1.656 0.030 1 156 20 20 LEU C C 178.077 0.300 1 157 20 20 LEU CA C 53.292 0.300 1 158 20 20 LEU CB C 40.814 0.300 1 159 20 20 LEU CD1 C 24.569 0.300 2 160 20 20 LEU CD2 C 24.569 0.300 2 161 20 20 LEU CG C 28.045 0.300 1 162 20 20 LEU N N 124.714 0.300 1 163 21 21 PRO HA H 4.352 0.030 1 164 21 21 PRO HB2 H 1.966 0.030 2 165 21 21 PRO HB3 H 2.433 0.030 2 166 21 21 PRO HD2 H 3.498 0.030 2 167 21 21 PRO HD3 H 3.236 0.030 2 168 21 21 PRO HG2 H 1.709 0.030 2 169 21 21 PRO HG3 H 1.871 0.030 2 170 21 21 PRO C C 176.488 0.300 1 171 21 21 PRO CA C 65.232 0.300 1 172 21 21 PRO CB C 32.018 0.300 1 173 21 21 PRO CD C 50.634 0.300 1 174 21 21 PRO CG C 27.573 0.300 1 175 22 22 ASP H H 7.414 0.030 1 176 22 22 ASP HA H 4.594 0.030 1 177 22 22 ASP HB2 H 2.702 0.030 2 178 22 22 ASP HB3 H 3.144 0.030 2 179 22 22 ASP C C 177.111 0.300 1 180 22 22 ASP CA C 53.302 0.300 1 181 22 22 ASP CB C 39.909 0.300 1 182 22 22 ASP N N 113.291 0.300 1 183 23 23 GLY H H 8.217 0.030 1 184 23 23 GLY HA2 H 4.416 0.030 2 185 23 23 GLY HA3 H 3.719 0.030 2 186 23 23 GLY C C 174.619 0.300 1 187 23 23 GLY CA C 45.204 0.300 1 188 23 23 GLY N N 108.607 0.300 1 189 24 24 SER H H 8.264 0.030 1 190 24 24 SER HA H 4.610 0.030 1 191 24 24 SER HB2 H 3.967 0.030 2 192 24 24 SER HB3 H 4.166 0.030 2 193 24 24 SER C C 172.525 0.300 1 194 24 24 SER CA C 58.860 0.300 1 195 24 24 SER CB C 64.564 0.300 1 196 24 24 SER N N 118.739 0.300 1 197 25 25 SER H H 8.493 0.030 1 198 25 25 SER HA H 5.681 0.030 1 199 25 25 SER HB2 H 3.698 0.030 2 200 25 25 SER HB3 H 3.834 0.030 2 201 25 25 SER C C 173.426 0.300 1 202 25 25 SER CA C 57.575 0.300 1 203 25 25 SER CB C 67.451 0.300 1 204 25 25 SER N N 111.125 0.300 1 205 26 26 PHE H H 8.291 0.030 1 206 26 26 PHE HA H 5.195 0.030 1 207 26 26 PHE HB2 H 3.367 0.030 1 208 26 26 PHE HB3 H 3.367 0.030 1 209 26 26 PHE HD1 H 7.136 0.030 1 210 26 26 PHE HD2 H 7.136 0.030 1 211 26 26 PHE HE1 H 6.700 0.030 1 212 26 26 PHE HE2 H 6.700 0.030 1 213 26 26 PHE HZ H 6.504 0.030 1 214 26 26 PHE C C 173.821 0.300 1 215 26 26 PHE CA C 56.483 0.300 1 216 26 26 PHE CB C 40.939 0.300 1 217 26 26 PHE CD1 C 132.812 0.300 1 218 26 26 PHE CD2 C 132.812 0.300 1 219 26 26 PHE CE1 C 130.858 0.300 1 220 26 26 PHE CE2 C 130.858 0.300 1 221 26 26 PHE CZ C 127.323 0.300 1 222 26 26 PHE N N 115.486 0.300 1 223 27 27 THR H H 9.125 0.030 1 224 27 27 THR HA H 5.938 0.030 1 225 27 27 THR HB H 3.983 0.030 1 226 27 27 THR HG2 H 1.091 0.030 1 227 27 27 THR C C 173.810 0.300 1 228 27 27 THR CA C 61.073 0.300 1 229 27 27 THR CB C 72.033 0.300 1 230 27 27 THR CG2 C 21.013 0.300 1 231 27 27 THR N N 116.269 0.300 1 232 28 28 ASN H H 8.842 0.030 1 233 28 28 ASN HA H 4.827 0.030 1 234 28 28 ASN HB2 H 1.804 0.030 2 235 28 28 ASN HB3 H 2.367 0.030 2 236 28 28 ASN HD21 H 6.487 0.030 2 237 28 28 ASN HD22 H 3.810 0.030 2 238 28 28 ASN C C 171.936 0.300 1 239 28 28 ASN CA C 52.266 0.300 1 240 28 28 ASN CB C 43.124 0.300 1 241 28 28 ASN N N 119.903 0.300 1 242 28 28 ASN ND2 N 112.981 0.300 1 243 29 29 GLN H H 7.546 0.030 1 244 29 29 GLN HA H 5.158 0.030 1 245 29 29 GLN HB2 H 1.786 0.030 1 246 29 29 GLN HB3 H 1.786 0.030 1 247 29 29 GLN HE21 H 7.552 0.030 2 248 29 29 GLN HE22 H 6.865 0.030 2 249 29 29 GLN HG2 H 2.151 0.030 2 250 29 29 GLN HG3 H 2.018 0.030 2 251 29 29 GLN C C 173.495 0.300 1 252 29 29 GLN CA C 54.296 0.300 1 253 29 29 GLN CB C 30.985 0.300 1 254 29 29 GLN CG C 34.383 0.300 1 255 29 29 GLN N N 119.836 0.300 1 256 29 29 GLN NE2 N 111.963 0.300 1 257 30 30 PHE H H 8.771 0.030 1 258 30 30 PHE HA H 4.846 0.030 1 259 30 30 PHE HB2 H 2.985 0.030 2 260 30 30 PHE HB3 H 2.364 0.030 2 261 30 30 PHE HD1 H 7.312 0.030 1 262 30 30 PHE HD2 H 7.312 0.030 1 263 30 30 PHE HE1 H 7.330 0.030 1 264 30 30 PHE HE2 H 7.330 0.030 1 265 30 30 PHE HZ H 7.277 0.030 1 266 30 30 PHE C C 172.549 0.300 1 267 30 30 PHE CA C 54.844 0.300 1 268 30 30 PHE CB C 42.212 0.300 1 269 30 30 PHE CD1 C 133.573 0.300 1 270 30 30 PHE CD2 C 133.573 0.300 1 271 30 30 PHE CE1 C 130.600 0.300 1 272 30 30 PHE CE2 C 130.600 0.300 1 273 30 30 PHE CZ C 127.545 0.300 1 274 30 30 PHE N N 120.011 0.300 1 275 31 31 PRO HA H 4.797 0.030 1 276 31 31 PRO HB2 H 2.172 0.030 2 277 31 31 PRO HB3 H 2.538 0.030 2 278 31 31 PRO HD2 H 3.970 0.030 2 279 31 31 PRO HD3 H 3.777 0.030 2 280 31 31 PRO HG2 H 2.353 0.030 2 281 31 31 PRO HG3 H 2.149 0.030 2 282 31 31 PRO C C 178.949 0.300 1 283 31 31 PRO CA C 63.206 0.300 1 284 31 31 PRO CB C 31.935 0.300 1 285 31 31 PRO CD C 50.389 0.300 1 286 31 31 PRO CG C 28.293 0.300 1 287 32 32 SER H H 8.651 0.030 1 288 32 32 SER HA H 3.874 0.030 1 289 32 32 SER HB2 H 3.727 0.030 2 290 32 32 SER HB3 H 3.401 0.030 2 291 32 32 SER C C 172.736 0.300 1 292 32 32 SER CA C 60.683 0.300 1 293 32 32 SER CB C 62.536 0.300 1 294 32 32 SER N N 118.426 0.300 1 295 33 33 ASP H H 8.258 0.030 1 296 33 33 ASP HA H 4.444 0.030 1 297 33 33 ASP HB2 H 2.562 0.030 2 298 33 33 ASP HB3 H 2.909 0.030 2 299 33 33 ASP C C 175.049 0.300 1 300 33 33 ASP CA C 52.894 0.300 1 301 33 33 ASP CB C 39.647 0.300 1 302 33 33 ASP N N 116.298 0.300 1 303 34 34 ALA H H 7.696 0.030 1 304 34 34 ALA HA H 4.475 0.030 1 305 34 34 ALA HB H 1.420 0.030 1 306 34 34 ALA C C 174.498 0.300 1 307 34 34 ALA CA C 50.737 0.300 1 308 34 34 ALA CB C 17.687 0.300 1 309 34 34 ALA N N 123.829 0.300 1 310 35 35 PRO HA H 4.831 0.030 1 311 35 35 PRO HB2 H 2.130 0.030 1 312 35 35 PRO HB3 H 2.130 0.030 1 313 35 35 PRO HD2 H 3.803 0.030 2 314 35 35 PRO HD3 H 3.837 0.030 2 315 35 35 PRO HG2 H 2.126 0.030 1 316 35 35 PRO HG3 H 2.126 0.030 1 317 35 35 PRO C C 178.409 0.300 1 318 35 35 PRO CA C 61.377 0.300 1 319 35 35 PRO CB C 31.521 0.300 1 320 35 35 PRO CD C 49.670 0.300 1 321 35 35 PRO CG C 27.797 0.300 1 322 36 36 LEU H H 8.379 0.030 1 323 36 36 LEU HA H 3.758 0.030 1 324 36 36 LEU HB2 H 0.958 0.030 2 325 36 36 LEU HB3 H 1.739 0.030 2 326 36 36 LEU HD1 H -0.712 0.030 1 327 36 36 LEU HD2 H 0.196 0.030 1 328 36 36 LEU HG H 1.247 0.030 1 329 36 36 LEU C C 178.262 0.300 1 330 36 36 LEU CA C 57.697 0.300 1 331 36 36 LEU CB C 40.139 0.300 1 332 36 36 LEU CD1 C 24.002 0.300 2 333 36 36 LEU CD2 C 22.009 0.300 2 334 36 36 LEU CG C 25.995 0.300 1 335 36 36 LEU N N 123.581 0.300 1 336 37 37 GLU H H 9.033 0.030 1 337 37 37 GLU HA H 4.368 0.030 1 338 37 37 GLU HB2 H 2.402 0.030 2 339 37 37 GLU HB3 H 1.702 0.030 2 340 37 37 GLU HG2 H 2.364 0.030 2 341 37 37 GLU HG3 H 2.200 0.030 2 342 37 37 GLU C C 177.466 0.300 1 343 37 37 GLU CA C 58.692 0.300 1 344 37 37 GLU CB C 30.000 0.300 1 345 37 37 GLU CG C 34.300 0.300 1 346 37 37 GLU N N 119.159 0.300 1 347 38 38 GLU H H 7.981 0.030 1 348 38 38 GLU HA H 4.143 0.030 1 349 38 38 GLU HB2 H 2.106 0.030 2 350 38 38 GLU HB3 H 2.170 0.030 2 351 38 38 GLU HG2 H 2.343 0.030 2 352 38 38 GLU HG3 H 2.475 0.030 2 353 38 38 GLU C C 180.157 0.300 1 354 38 38 GLU CA C 59.861 0.300 1 355 38 38 GLU CB C 29.563 0.300 1 356 38 38 GLU CG C 36.957 0.300 1 357 38 38 GLU N N 118.261 0.300 1 358 39 39 ALA H H 7.110 0.030 1 359 39 39 ALA HA H 4.225 0.030 1 360 39 39 ALA HB H 1.003 0.030 1 361 39 39 ALA C C 179.001 0.300 1 362 39 39 ALA CA C 54.485 0.300 1 363 39 39 ALA CB C 16.695 0.300 1 364 39 39 ALA N N 121.681 0.300 1 365 40 40 ARG H H 8.279 0.030 1 366 40 40 ARG HA H 3.956 0.030 1 367 40 40 ARG HB2 H 2.121 0.030 2 368 40 40 ARG HB3 H 1.751 0.030 2 369 40 40 ARG HD2 H 2.411 0.030 2 370 40 40 ARG HD3 H 2.831 0.030 2 371 40 40 ARG HE H 7.829 0.030 1 372 40 40 ARG HG2 H 1.622 0.030 2 373 40 40 ARG C C 178.210 0.300 1 374 40 40 ARG CA C 60.799 0.300 1 375 40 40 ARG CB C 29.384 0.300 1 376 40 40 ARG CD C 41.950 0.300 1 377 40 40 ARG CG C 26.635 0.300 1 378 40 40 ARG N N 119.764 0.300 1 379 40 40 ARG NE N 82.318 0.300 1 380 41 41 GLN H H 8.868 0.030 1 381 41 41 GLN HA H 4.036 0.030 1 382 41 41 GLN HB2 H 2.208 0.030 1 383 41 41 GLN HB3 H 2.208 0.030 1 384 41 41 GLN HE21 H 6.799 0.030 2 385 41 41 GLN HE22 H 7.881 0.030 2 386 41 41 GLN HG2 H 2.480 0.030 2 387 41 41 GLN HG3 H 2.613 0.030 2 388 41 41 GLN C C 178.498 0.300 1 389 41 41 GLN CA C 58.959 0.300 1 390 41 41 GLN CB C 27.898 0.300 1 391 41 41 GLN CG C 33.968 0.300 1 392 41 41 GLN N N 118.095 0.300 1 393 41 41 GLN NE2 N 112.362 0.300 1 394 42 42 PHE H H 7.975 0.030 1 395 42 42 PHE HA H 4.312 0.030 1 396 42 42 PHE HB2 H 3.780 0.030 2 397 42 42 PHE HB3 H 3.469 0.030 2 398 42 42 PHE HD1 H 7.225 0.030 1 399 42 42 PHE HD2 H 7.225 0.030 1 400 42 42 PHE HE1 H 7.299 0.030 1 401 42 42 PHE HE2 H 7.299 0.030 1 402 42 42 PHE C C 178.662 0.300 1 403 42 42 PHE CA C 61.799 0.300 1 404 42 42 PHE CB C 39.245 0.300 1 405 42 42 PHE CD1 C 131.487 0.300 1 406 42 42 PHE CD2 C 131.487 0.300 1 407 42 42 PHE CE1 C 132.111 0.300 1 408 42 42 PHE CE2 C 132.111 0.300 1 409 42 42 PHE N N 120.715 0.300 1 410 43 43 ALA H H 8.381 0.030 1 411 43 43 ALA HA H 3.604 0.030 1 412 43 43 ALA HB H 1.314 0.030 1 413 43 43 ALA C C 178.623 0.300 1 414 43 43 ALA CA C 55.664 0.300 1 415 43 43 ALA CB C 16.924 0.300 1 416 43 43 ALA N N 123.888 0.300 1 417 44 44 ALA H H 8.991 0.030 1 418 44 44 ALA HA H 4.296 0.030 1 419 44 44 ALA HB H 1.647 0.030 1 420 44 44 ALA C C 180.534 0.300 1 421 44 44 ALA CA C 55.599 0.300 1 422 44 44 ALA CB C 17.828 0.300 1 423 44 44 ALA N N 121.103 0.300 1 424 45 45 GLN H H 8.218 0.030 1 425 45 45 GLN HA H 3.978 0.030 1 426 45 45 GLN HB2 H 1.994 0.030 2 427 45 45 GLN HB3 H 2.125 0.030 2 428 45 45 GLN HE21 H 6.855 0.030 2 429 45 45 GLN HE22 H 7.356 0.030 2 430 45 45 GLN HG2 H 2.406 0.030 1 431 45 45 GLN HG3 H 2.406 0.030 1 432 45 45 GLN C C 177.594 0.300 1 433 45 45 GLN CA C 58.015 0.300 1 434 45 45 GLN CB C 28.131 0.300 1 435 45 45 GLN CG C 33.801 0.300 1 436 45 45 GLN N N 118.131 0.300 1 437 45 45 GLN NE2 N 111.540 0.300 1 438 46 46 THR H H 7.309 0.030 1 439 46 46 THR HA H 3.583 0.030 1 440 46 46 THR HB H 3.500 0.030 1 441 46 46 THR HG2 H 0.022 0.030 1 442 46 46 THR C C 175.906 0.300 1 443 46 46 THR CA C 66.404 0.300 1 444 46 46 THR CB C 68.571 0.300 1 445 46 46 THR CG2 C 19.603 0.300 1 446 46 46 THR N N 115.708 0.300 1 447 47 47 VAL H H 8.086 0.030 1 448 47 47 VAL HA H 4.319 0.030 1 449 47 47 VAL HB H 2.371 0.030 1 450 47 47 VAL HG1 H 0.891 0.030 1 451 47 47 VAL HG2 H 0.927 0.030 1 452 47 47 VAL C C 177.297 0.300 1 453 47 47 VAL CA C 61.564 0.300 1 454 47 47 VAL CB C 32.763 0.300 1 455 47 47 VAL CG1 C 22.009 0.300 2 456 47 47 VAL CG2 C 18.854 0.300 2 457 47 47 VAL N N 111.626 0.300 1 458 48 48 GLY H H 8.018 0.030 1 459 48 48 GLY HA2 H 3.976 0.030 2 460 48 48 GLY HA3 H 3.843 0.030 2 461 48 48 GLY C C 175.150 0.300 1 462 48 48 GLY CA C 46.794 0.300 1 463 48 48 GLY N N 112.191 0.300 1 464 49 49 ASN HA H 4.957 0.030 1 465 49 49 ASN HB2 H 2.812 0.030 2 466 49 49 ASN HB3 H 2.880 0.030 2 467 49 49 ASN HD21 H 7.568 0.030 2 468 49 49 ASN HD22 H 6.867 0.030 2 469 49 49 ASN C C 177.836 0.300 1 470 49 49 ASN CA C 53.214 0.300 1 471 49 49 ASN CB C 38.706 0.300 1 472 49 49 ASN ND2 N 112.004 0.300 1 473 50 50 THR H H 7.895 0.030 1 474 50 50 THR HA H 3.642 0.030 1 475 50 50 THR HB H 3.476 0.030 1 476 50 50 THR HG2 H 0.543 0.030 1 477 50 50 THR C C 174.039 0.300 1 478 50 50 THR CA C 66.334 0.300 1 479 50 50 THR CB C 70.003 0.300 1 480 50 50 THR CG2 C 21.013 0.300 1 481 50 50 THR N N 116.425 0.300 1 482 51 51 TYR H H 8.804 0.030 1 483 51 51 TYR HA H 4.858 0.030 1 484 51 51 TYR HB2 H 2.598 0.030 2 485 51 51 TYR HB3 H 3.263 0.030 2 486 51 51 TYR HD1 H 6.929 0.030 1 487 51 51 TYR HD2 H 6.929 0.030 1 488 51 51 TYR HE1 H 6.754 0.030 1 489 51 51 TYR HE2 H 6.754 0.030 1 490 51 51 TYR C C 175.158 0.300 1 491 51 51 TYR CA C 56.915 0.300 1 492 51 51 TYR CB C 39.331 0.300 1 493 51 51 TYR CD1 C 132.896 0.300 1 494 51 51 TYR CD2 C 132.896 0.300 1 495 51 51 TYR CE1 C 118.074 0.300 1 496 51 51 TYR CE2 C 118.074 0.300 1 497 51 51 TYR N N 118.768 0.300 1 498 52 52 GLY H H 7.590 0.030 1 499 52 52 GLY HA2 H 3.857 0.030 2 500 52 52 GLY HA3 H 3.979 0.030 2 501 52 52 GLY C C 174.627 0.300 1 502 52 52 GLY CA C 45.674 0.300 1 503 52 52 GLY N N 106.703 0.300 1 504 53 53 ASN H H 8.740 0.030 1 505 53 53 ASN HA H 4.756 0.030 1 506 53 53 ASN HB2 H 2.609 0.030 2 507 53 53 ASN HB3 H 2.789 0.030 2 508 53 53 ASN HD21 H 7.500 0.030 2 509 53 53 ASN HD22 H 6.785 0.030 2 510 53 53 ASN C C 173.911 0.300 1 511 53 53 ASN CA C 52.374 0.300 1 512 53 53 ASN CB C 36.587 0.300 1 513 53 53 ASN N N 122.224 0.300 1 514 53 53 ASN ND2 N 112.086 0.300 1 515 54 54 PHE H H 7.326 0.030 1 516 54 54 PHE HA H 4.848 0.030 1 517 54 54 PHE HB2 H 2.820 0.030 2 518 54 54 PHE HB3 H 3.298 0.030 2 519 54 54 PHE HD1 H 7.331 0.030 1 520 54 54 PHE HD2 H 7.331 0.030 1 521 54 54 PHE HE1 H 7.179 0.030 1 522 54 54 PHE HE2 H 7.179 0.030 1 523 54 54 PHE HZ H 7.298 0.030 1 524 54 54 PHE C C 174.287 0.300 1 525 54 54 PHE CA C 56.773 0.300 1 526 54 54 PHE CB C 40.977 0.300 1 527 54 54 PHE CD1 C 132.934 0.300 1 528 54 54 PHE CD2 C 132.934 0.300 1 529 54 54 PHE CE1 C 130.632 0.300 1 530 54 54 PHE CE2 C 130.632 0.300 1 531 54 54 PHE CZ C 129.458 0.300 1 532 54 54 PHE N N 119.477 0.300 1 533 55 55 SER H H 9.060 0.030 1 534 55 55 SER HA H 4.978 0.030 1 535 55 55 SER HB2 H 4.013 0.030 2 536 55 55 SER HB3 H 4.108 0.030 2 537 55 55 SER C C 173.268 0.300 1 538 55 55 SER CA C 56.004 0.300 1 539 55 55 SER CB C 65.549 0.300 1 540 55 55 SER N N 115.530 0.300 1 541 56 56 LEU H H 8.284 0.030 1 542 56 56 LEU HA H 5.796 0.030 1 543 56 56 LEU HB2 H 2.407 0.030 2 544 56 56 LEU HB3 H 1.484 0.030 2 545 56 56 LEU HD1 H 1.115 0.030 1 546 56 56 LEU HD2 H 1.178 0.030 1 547 56 56 LEU HG H 2.076 0.030 1 548 56 56 LEU C C 175.287 0.300 1 549 56 56 LEU CA C 53.736 0.300 1 550 56 56 LEU CB C 46.564 0.300 1 551 56 56 LEU CD1 C 25.746 0.300 2 552 56 56 LEU CD2 C 23.504 0.300 2 553 56 56 LEU CG C 26.992 0.300 1 554 56 56 LEU N N 119.764 0.300 1 555 57 57 ALA H H 8.642 0.030 1 556 57 57 ALA HA H 4.933 0.030 1 557 57 57 ALA HB H 1.130 0.030 1 558 57 57 ALA C C 176.996 0.300 1 559 57 57 ALA CA C 50.793 0.300 1 560 57 57 ALA CB C 23.887 0.300 1 561 57 57 ALA N N 121.933 0.300 1 562 58 58 THR H H 8.219 0.030 1 563 58 58 THR HA H 4.539 0.030 1 564 58 58 THR HB H 4.406 0.030 1 565 58 58 THR HG2 H 1.235 0.030 1 566 58 58 THR C C 174.324 0.300 1 567 58 58 THR CA C 61.493 0.300 1 568 58 58 THR CB C 70.212 0.300 1 569 58 58 THR CG2 C 22.903 0.300 1 570 58 58 THR N N 110.040 0.300 1 571 59 59 MET H H 8.265 0.030 1 572 59 59 MET HA H 4.163 0.030 1 573 59 59 MET HB2 H 1.636 0.030 2 574 59 59 MET HB3 H 1.779 0.030 2 575 59 59 MET HE H 1.905 0.030 1 576 59 59 MET HG2 H 2.180 0.030 2 577 59 59 MET HG3 H 2.312 0.030 2 578 59 59 MET C C 175.945 0.300 1 579 59 59 MET CA C 56.838 0.300 1 580 59 59 MET CB C 33.662 0.300 1 581 59 59 MET CE C 17.177 0.300 1 582 59 59 MET CG C 32.437 0.300 1 583 59 59 MET N N 118.511 0.300 1 584 60 60 PHE H H 7.837 0.030 1 585 60 60 PHE HA H 4.530 0.030 1 586 60 60 PHE HB2 H 2.923 0.030 2 587 60 60 PHE HB3 H 3.042 0.030 2 588 60 60 PHE HD1 H 7.253 0.030 1 589 60 60 PHE HD2 H 7.253 0.030 1 590 60 60 PHE HE1 H 7.267 0.030 1 591 60 60 PHE HE2 H 7.267 0.030 1 592 60 60 PHE HZ H 7.339 0.030 1 593 60 60 PHE C C 173.620 0.300 1 594 60 60 PHE CA C 56.044 0.300 1 595 60 60 PHE CB C 40.897 0.300 1 596 60 60 PHE CD1 C 132.038 0.300 1 597 60 60 PHE CD2 C 132.038 0.300 1 598 60 60 PHE CE1 C 129.861 0.300 1 599 60 60 PHE CE2 C 129.861 0.300 1 600 60 60 PHE N N 116.364 0.300 1 601 61 61 PRO HA H 4.179 0.030 1 602 61 61 PRO HB2 H 1.733 0.030 2 603 61 61 PRO HB3 H 2.094 0.030 2 604 61 61 PRO HD2 H 3.317 0.030 2 605 61 61 PRO HD3 H 3.424 0.030 2 606 61 61 PRO HG2 H 1.632 0.030 1 607 61 61 PRO HG3 H 1.632 0.030 1 608 61 61 PRO C C 175.371 0.300 1 609 61 61 PRO CA C 62.924 0.300 1 610 61 61 PRO CB C 34.004 0.300 1 611 61 61 PRO CD C 49.900 0.300 1 612 61 61 PRO CG C 24.920 0.300 1 613 62 62 ARG H H 8.576 0.030 1 614 62 62 ARG HA H 4.261 0.030 1 615 62 62 ARG HB2 H 1.670 0.030 2 616 62 62 ARG HB3 H 1.745 0.030 2 617 62 62 ARG HD2 H 3.139 0.030 2 618 62 62 ARG HD3 H 3.193 0.030 2 619 62 62 ARG HG2 H 1.499 0.030 2 620 62 62 ARG HG3 H 1.452 0.030 2 621 62 62 ARG C C 175.739 0.300 1 622 62 62 ARG CA C 56.076 0.300 1 623 62 62 ARG CB C 29.032 0.300 1 624 62 62 ARG CD C 42.770 0.300 1 625 62 62 ARG CG C 26.801 0.300 1 626 62 62 ARG N N 122.930 0.300 1 627 63 63 ARG H H 7.709 0.030 1 628 63 63 ARG HA H 4.319 0.030 1 629 63 63 ARG HB2 H 1.396 0.030 2 630 63 63 ARG HB3 H 1.564 0.030 2 631 63 63 ARG HD2 H 2.873 0.030 2 632 63 63 ARG HD3 H 2.920 0.030 2 633 63 63 ARG HE H 7.088 0.030 1 634 63 63 ARG HG2 H 1.128 0.030 2 635 63 63 ARG HG3 H 1.283 0.030 2 636 63 63 ARG C C 173.699 0.300 1 637 63 63 ARG CA C 55.593 0.300 1 638 63 63 ARG CB C 31.988 0.300 1 639 63 63 ARG CD C 43.444 0.300 1 640 63 63 ARG CG C 26.447 0.300 1 641 63 63 ARG N N 128.971 0.300 1 642 63 63 ARG NE N 84.871 0.300 1 643 64 64 GLU H H 8.655 0.030 1 644 64 64 GLU HA H 4.359 0.030 1 645 64 64 GLU HB2 H 1.791 0.030 2 646 64 64 GLU HB3 H 1.977 0.030 2 647 64 64 GLU HG2 H 2.238 0.030 2 648 64 64 GLU HG3 H 2.247 0.030 2 649 64 64 GLU C C 176.442 0.300 1 650 64 64 GLU CA C 55.576 0.300 1 651 64 64 GLU CB C 30.659 0.300 1 652 64 64 GLU CG C 36.708 0.300 1 653 64 64 GLU N N 126.243 0.300 1 654 65 65 PHE H H 8.180 0.030 1 655 65 65 PHE HA H 4.837 0.030 1 656 65 65 PHE HB2 H 2.688 0.030 2 657 65 65 PHE HB3 H 2.830 0.030 2 658 65 65 PHE HD1 H 7.146 0.030 1 659 65 65 PHE HD2 H 7.146 0.030 1 660 65 65 PHE HE1 H 7.028 0.030 1 661 65 65 PHE HE2 H 7.028 0.030 1 662 65 65 PHE HZ H 7.105 0.030 1 663 65 65 PHE C C 177.266 0.300 1 664 65 65 PHE CA C 59.059 0.300 1 665 65 65 PHE CB C 38.471 0.300 1 666 65 65 PHE CD1 C 131.567 0.300 1 667 65 65 PHE CD2 C 131.567 0.300 1 668 65 65 PHE CE1 C 130.116 0.300 1 669 65 65 PHE CE2 C 130.116 0.300 1 670 65 65 PHE N N 124.831 0.300 1 671 66 66 THR H H 9.672 0.030 1 672 66 66 THR HA H 4.611 0.030 1 673 66 66 THR HB H 4.743 0.030 1 674 66 66 THR HG2 H 1.356 0.030 1 675 66 66 THR C C 175.170 0.300 1 676 66 66 THR CA C 60.412 0.300 1 677 66 66 THR CB C 71.502 0.300 1 678 66 66 THR CG2 C 21.833 0.300 1 679 66 66 THR N N 117.285 0.300 1 680 67 67 ARG H H 8.757 0.030 1 681 67 67 ARG HA H 4.140 0.030 1 682 67 67 ARG HB2 H 1.878 0.030 2 683 67 67 ARG HB3 H 1.976 0.030 2 684 67 67 ARG HD2 H 3.246 0.030 1 685 67 67 ARG HD3 H 3.246 0.030 1 686 67 67 ARG HE H 7.716 0.030 1 687 67 67 ARG HG2 H 1.679 0.030 2 688 67 67 ARG HG3 H 1.779 0.030 2 689 67 67 ARG C C 179.906 0.300 1 690 67 67 ARG CA C 60.055 0.300 1 691 67 67 ARG CB C 30.012 0.300 1 692 67 67 ARG CD C 43.440 0.300 1 693 67 67 ARG CG C 27.075 0.300 1 694 67 67 ARG N N 118.512 0.300 1 695 68 68 GLU H H 8.476 0.030 1 696 68 68 GLU HA H 4.041 0.030 1 697 68 68 GLU HB2 H 1.986 0.030 1 698 68 68 GLU HB3 H 1.986 0.030 1 699 68 68 GLU HG2 H 2.302 0.030 2 700 68 68 GLU HG3 H 2.413 0.030 2 701 68 68 GLU C C 179.059 0.300 1 702 68 68 GLU CA C 59.439 0.300 1 703 68 68 GLU CB C 29.110 0.300 1 704 68 68 GLU CG C 36.957 0.300 1 705 68 68 GLU N N 117.505 0.300 1 706 69 69 ASP H H 7.834 0.030 1 707 69 69 ASP HA H 4.268 0.030 1 708 69 69 ASP HB2 H 2.313 0.030 2 709 69 69 ASP HB3 H 3.058 0.030 2 710 69 69 ASP C C 178.190 0.300 1 711 69 69 ASP CA C 57.487 0.300 1 712 69 69 ASP CB C 40.605 0.300 1 713 69 69 ASP N N 120.419 0.300 1 714 70 70 TYR H H 7.301 0.030 1 715 70 70 TYR HA H 4.025 0.030 1 716 70 70 TYR HB2 H 2.928 0.030 2 717 70 70 TYR HB3 H 3.258 0.030 2 718 70 70 TYR HD1 H 7.073 0.030 1 719 70 70 TYR HD2 H 7.073 0.030 1 720 70 70 TYR HE1 H 6.534 0.030 1 721 70 70 TYR HE2 H 6.534 0.030 1 722 70 70 TYR C C 175.904 0.300 1 723 70 70 TYR CA C 62.347 0.300 1 724 70 70 TYR CB C 37.316 0.300 1 725 70 70 TYR CD1 C 132.945 0.300 1 726 70 70 TYR CD2 C 132.945 0.300 1 727 70 70 TYR CE1 C 117.688 0.300 1 728 70 70 TYR CE2 C 117.688 0.300 1 729 70 70 TYR N N 114.022 0.300 1 730 71 71 LYS H H 7.226 0.030 1 731 71 71 LYS HA H 4.435 0.030 1 732 71 71 LYS HB2 H 1.845 0.030 2 733 71 71 LYS HB3 H 2.074 0.030 2 734 71 71 LYS HD2 H 1.724 0.030 2 735 71 71 LYS HE2 H 3.012 0.030 2 736 71 71 LYS HG2 H 1.526 0.030 2 737 71 71 LYS C C 177.322 0.300 1 738 71 71 LYS CA C 56.042 0.300 1 739 71 71 LYS CB C 32.979 0.300 1 740 71 71 LYS CD C 29.151 0.300 1 741 71 71 LYS CE C 42.355 0.300 1 742 71 71 LYS CG C 25.082 0.300 1 743 71 71 LYS N N 114.688 0.300 1 744 72 72 ARG H H 7.704 0.030 1 745 72 72 ARG HA H 4.339 0.030 1 746 72 72 ARG HB2 H 1.991 0.030 2 747 72 72 ARG HB3 H 1.791 0.030 2 748 72 72 ARG HD2 H 3.213 0.030 2 749 72 72 ARG HD3 H 3.264 0.030 2 750 72 72 ARG HG2 H 1.982 0.030 2 751 72 72 ARG HG3 H 1.663 0.030 2 752 72 72 ARG C C 174.758 0.300 1 753 72 72 ARG CA C 55.833 0.300 1 754 72 72 ARG CB C 30.929 0.300 1 755 72 72 ARG CD C 43.688 0.300 1 756 72 72 ARG CG C 28.045 0.300 1 757 72 72 ARG N N 120.202 0.300 1 758 73 73 ARG H H 8.478 0.030 1 759 73 73 ARG HA H 4.407 0.030 1 760 73 73 ARG HB2 H 1.711 0.030 1 761 73 73 ARG HB3 H 1.711 0.030 1 762 73 73 ARG HD2 H 3.078 0.030 2 763 73 73 ARG HD3 H 3.375 0.030 2 764 73 73 ARG HG2 H 1.878 0.030 2 765 73 73 ARG HG3 H 1.714 0.030 2 766 73 73 ARG C C 178.666 0.300 1 767 73 73 ARG CA C 55.444 0.300 1 768 73 73 ARG CB C 31.359 0.300 1 769 73 73 ARG CD C 44.099 0.300 1 770 73 73 ARG CG C 26.713 0.300 1 771 73 73 ARG N N 117.271 0.300 1 772 74 74 LEU H H 8.758 0.030 1 773 74 74 LEU HA H 3.676 0.030 1 774 74 74 LEU HB2 H 0.884 0.030 2 775 74 74 LEU HB3 H 1.947 0.030 2 776 74 74 LEU HD1 H 0.613 0.030 1 777 74 74 LEU HD2 H 0.406 0.030 1 778 74 74 LEU HG H 1.935 0.030 1 779 74 74 LEU C C 180.314 0.300 1 780 74 74 LEU CA C 59.042 0.300 1 781 74 74 LEU CB C 40.198 0.300 1 782 74 74 LEU CD1 C 26.919 0.300 2 783 74 74 LEU CD2 C 23.415 0.300 2 784 74 74 LEU CG C 26.059 0.300 1 785 74 74 LEU N N 121.630 0.300 1 786 75 75 LEU H H 8.293 0.030 1 787 75 75 LEU HA H 4.009 0.030 1 788 75 75 LEU HB2 H 1.364 0.030 2 789 75 75 LEU HB3 H 1.486 0.030 2 790 75 75 LEU HD1 H 0.778 0.030 1 791 75 75 LEU HD2 H 0.818 0.030 1 792 75 75 LEU HG H 1.492 0.030 1 793 75 75 LEU C C 179.483 0.300 1 794 75 75 LEU CA C 57.984 0.300 1 795 75 75 LEU CB C 42.685 0.300 1 796 75 75 LEU CD1 C 25.537 0.300 2 797 75 75 LEU CD2 C 24.321 0.300 2 798 75 75 LEU CG C 26.804 0.300 1 799 75 75 LEU N N 115.323 0.300 1 800 76 76 ASP H H 7.018 0.030 1 801 76 76 ASP HA H 4.528 0.030 1 802 76 76 ASP HB2 H 2.930 0.030 2 803 76 76 ASP HB3 H 2.830 0.030 2 804 76 76 ASP C C 177.073 0.300 1 805 76 76 ASP CA C 56.614 0.300 1 806 76 76 ASP CB C 40.866 0.300 1 807 76 76 ASP N N 119.688 0.300 1 808 77 77 LEU H H 7.293 0.030 1 809 77 77 LEU HA H 4.355 0.030 1 810 77 77 LEU HB2 H 1.543 0.030 2 811 77 77 LEU HB3 H 1.628 0.030 2 812 77 77 LEU HD1 H 0.529 0.030 1 813 77 77 LEU HD2 H 0.817 0.030 1 814 77 77 LEU HG H 1.448 0.030 1 815 77 77 LEU C C 174.855 0.300 1 816 77 77 LEU CA C 54.311 0.300 1 817 77 77 LEU CB C 43.526 0.300 1 818 77 77 LEU CD1 C 28.265 0.300 2 819 77 77 LEU CD2 C 22.674 0.300 2 820 77 77 LEU CG C 26.578 0.300 1 821 77 77 LEU N N 119.312 0.300 1 822 78 78 GLU H H 7.725 0.030 1 823 78 78 GLU HA H 4.165 0.030 1 824 78 78 GLU HB2 H 2.344 0.030 1 825 78 78 GLU HB3 H 2.344 0.030 1 826 78 78 GLU HG2 H 2.197 0.030 1 827 78 78 GLU HG3 H 2.197 0.030 1 828 78 78 GLU C C 176.320 0.300 1 829 78 78 GLU CA C 57.694 0.300 1 830 78 78 GLU CB C 26.240 0.300 1 831 78 78 GLU CG C 36.874 0.300 1 832 78 78 GLU N N 112.015 0.300 1 833 79 79 LEU H H 7.496 0.030 1 834 79 79 LEU HA H 4.316 0.030 1 835 79 79 LEU HB2 H 1.332 0.030 1 836 79 79 LEU HB3 H 1.332 0.030 1 837 79 79 LEU HD1 H 0.534 0.030 1 838 79 79 LEU HD2 H 0.640 0.030 1 839 79 79 LEU HG H 1.508 0.030 1 840 79 79 LEU C C 172.496 0.300 1 841 79 79 LEU CA C 53.702 0.300 1 842 79 79 LEU CB C 41.237 0.300 1 843 79 79 LEU CD1 C 27.216 0.300 2 844 79 79 LEU CD2 C 22.674 0.300 2 845 79 79 LEU CG C 26.072 0.300 1 846 79 79 LEU N N 116.680 0.300 1 847 80 80 ALA H H 6.965 0.030 1 848 80 80 ALA HA H 4.409 0.030 1 849 80 80 ALA HB H 1.140 0.030 1 850 80 80 ALA C C 176.060 0.300 1 851 80 80 ALA CA C 48.680 0.300 1 852 80 80 ALA CB C 20.588 0.300 1 853 80 80 ALA N N 114.444 0.300 1 854 81 81 PRO HA H 4.837 0.030 1 855 81 81 PRO HB2 H 2.262 0.030 2 856 81 81 PRO HB3 H 2.511 0.030 2 857 81 81 PRO HD2 H 3.498 0.030 2 858 81 81 PRO HD3 H 3.830 0.030 2 859 81 81 PRO HG2 H 1.924 0.030 2 860 81 81 PRO HG3 H 2.033 0.030 2 861 81 81 PRO C C 176.600 0.300 1 862 81 81 PRO CA C 63.686 0.300 1 863 81 81 PRO CB C 34.749 0.300 1 864 81 81 PRO CD C 50.576 0.300 1 865 81 81 PRO CG C 24.667 0.300 1 866 82 82 SER H H 7.545 0.030 1 867 82 82 SER HA H 5.484 0.030 1 868 82 82 SER HB2 H 3.851 0.030 1 869 82 82 SER HB3 H 3.851 0.030 1 870 82 82 SER C C 172.518 0.300 1 871 82 82 SER CA C 57.136 0.300 1 872 82 82 SER CB C 65.169 0.300 1 873 82 82 SER N N 117.252 0.300 1 874 83 83 ALA H H 8.336 0.030 1 875 83 83 ALA HA H 4.673 0.030 1 876 83 83 ALA HB H 1.411 0.030 1 877 83 83 ALA C C 175.703 0.300 1 878 83 83 ALA CA C 51.898 0.300 1 879 83 83 ALA CB C 24.371 0.300 1 880 83 83 ALA N N 122.573 0.300 1 881 84 84 SER H H 8.490 0.030 1 882 84 84 SER HA H 5.543 0.030 1 883 84 84 SER HB2 H 3.709 0.030 1 884 84 84 SER HB3 H 3.709 0.030 1 885 84 84 SER C C 173.390 0.300 1 886 84 84 SER CA C 57.188 0.300 1 887 84 84 SER CB C 64.830 0.300 1 888 84 84 SER N N 115.610 0.300 1 889 85 85 VAL H H 9.098 0.030 1 890 85 85 VAL HA H 4.921 0.030 1 891 85 85 VAL HB H 1.909 0.030 1 892 85 85 VAL HG1 H 0.824 0.030 1 893 85 85 VAL HG2 H 0.506 0.030 1 894 85 85 VAL C C 173.705 0.300 1 895 85 85 VAL CA C 58.884 0.300 1 896 85 85 VAL CB C 34.913 0.300 1 897 85 85 VAL CG1 C 22.092 0.300 2 898 85 85 VAL CG2 C 21.179 0.300 2 899 85 85 VAL N N 120.031 0.300 1 900 86 86 VAL H H 9.361 0.030 1 901 86 86 VAL HA H 4.631 0.030 1 902 86 86 VAL HB H 1.810 0.030 1 903 86 86 VAL HG1 H 0.775 0.030 1 904 86 86 VAL HG2 H 0.772 0.030 1 905 86 86 VAL C C 174.037 0.300 1 906 86 86 VAL CA C 60.136 0.300 1 907 86 86 VAL CB C 34.284 0.300 1 908 86 86 VAL CG1 C 21.341 0.300 2 909 86 86 VAL CG2 C 21.282 0.300 2 910 86 86 VAL N N 121.375 0.300 1 911 87 87 LEU H H 8.014 0.030 1 912 87 87 LEU HA H 4.821 0.030 1 913 87 87 LEU HB2 H 1.116 0.030 2 914 87 87 LEU HB3 H 1.383 0.030 2 915 87 87 LEU HD1 H 0.093 0.030 1 916 87 87 LEU HD2 H 0.050 0.030 1 917 87 87 LEU HG H 1.245 0.030 1 918 87 87 LEU C C 175.126 0.300 1 919 87 87 LEU CA C 56.061 0.300 1 920 87 87 LEU CB C 43.569 0.300 1 921 87 87 LEU CD1 C 26.162 0.300 2 922 87 87 LEU CD2 C 24.418 0.300 2 923 87 87 LEU CG C 29.317 0.300 1 924 87 87 LEU N N 126.880 0.300 1 925 88 88 LEU H H 8.868 0.030 1 926 88 88 LEU HA H 4.910 0.030 1 927 88 88 LEU HB2 H 1.334 0.030 2 928 88 88 LEU HB3 H 1.802 0.030 2 929 88 88 LEU HD1 H 0.731 0.030 1 930 88 88 LEU HD2 H 0.734 0.030 1 931 88 88 LEU HG H 1.463 0.030 1 932 88 88 LEU C C 174.382 0.300 1 933 88 88 LEU CA C 50.892 0.300 1 934 88 88 LEU CB C 41.950 0.300 1 935 88 88 LEU CD1 C 26.059 0.300 2 936 88 88 LEU CD2 C 23.576 0.300 2 937 88 88 LEU CG C 26.059 0.300 1 938 88 88 LEU N N 127.323 0.300 1 939 89 89 PRO HA H 4.574 0.030 1 940 89 89 PRO HB2 H 2.046 0.030 2 941 89 89 PRO HB3 H 2.520 0.030 2 942 89 89 PRO HD2 H 3.729 0.030 2 943 89 89 PRO HD3 H 3.953 0.030 2 944 89 89 PRO HG2 H 1.759 0.030 2 945 89 89 PRO HG3 H 2.172 0.030 2 946 89 89 PRO C C 176.254 0.300 1 947 89 89 PRO CA C 62.714 0.300 1 948 89 89 PRO CB C 32.794 0.300 1 949 89 89 PRO CD C 51.047 0.300 1 950 89 89 PRO CG C 28.072 0.300 1 951 90 90 ALA H H 8.238 0.030 1 952 90 90 ALA HA H 4.366 0.030 1 953 90 90 ALA HB H 1.394 0.030 1 954 90 90 ALA C C 178.301 0.300 1 955 90 90 ALA CA C 52.625 0.300 1 956 90 90 ALA CB C 19.805 0.300 1 957 90 90 ALA N N 124.059 0.300 1 958 91 91 GLY H H 8.541 0.030 1 959 91 91 GLY HA2 H 3.940 0.030 1 960 91 91 GLY HA3 H 3.940 0.030 1 961 91 91 GLY C C 173.795 0.300 1 962 91 91 GLY CA C 45.202 0.300 1 963 91 91 GLY N N 108.708 0.300 1 964 92 92 ARG H H 8.116 0.030 1 965 92 92 ARG HA H 4.661 0.030 1 966 92 92 ARG HB2 H 1.750 0.030 2 967 92 92 ARG HB3 H 1.836 0.030 2 968 92 92 ARG HD2 H 3.623 0.030 1 969 92 92 ARG HD3 H 3.623 0.030 1 970 92 92 ARG HG2 H 1.654 0.030 1 971 92 92 ARG HG3 H 1.654 0.030 1 972 92 92 ARG C C 175.605 0.300 1 973 92 92 ARG CA C 53.734 0.300 1 974 92 92 ARG CB C 30.031 0.300 1 975 92 92 ARG CG C 26.804 0.300 1 976 92 92 ARG N N 121.278 0.300 1 977 93 93 PRO HA H 4.452 0.030 1 978 93 93 PRO HB2 H 1.929 0.030 2 979 93 93 PRO HB3 H 2.313 0.030 2 980 93 93 PRO HD2 H 3.623 0.030 2 981 93 93 PRO HD3 H 3.830 0.030 2 982 93 93 PRO HG2 H 2.013 0.030 1 983 93 93 PRO HG3 H 2.013 0.030 1 984 93 93 PRO C C 176.963 0.300 1 985 93 93 PRO CA C 62.959 0.300 1 986 93 93 PRO CB C 32.099 0.300 1 987 93 93 PRO CD C 50.493 0.300 1 988 93 93 PRO CG C 27.300 0.300 1 989 94 94 ALA H H 8.606 0.030 1 990 94 94 ALA HA H 4.297 0.030 1 991 94 94 ALA HB H 1.405 0.030 1 992 94 94 ALA C C 178.069 0.300 1 993 94 94 ALA CA C 52.936 0.300 1 994 94 94 ALA CB C 19.056 0.300 1 995 94 94 ALA N N 124.714 0.300 1 996 95 95 THR H H 8.005 0.030 1 997 95 95 THR HA H 4.315 0.030 1 998 95 95 THR HB H 4.236 0.030 1 999 95 95 THR HG2 H 1.201 0.030 1 1000 95 95 THR C C 174.552 0.300 1 1001 95 95 THR CA C 61.830 0.300 1 1002 95 95 THR CB C 69.817 0.300 1 1003 95 95 THR CG2 C 21.594 0.300 1 1004 95 95 THR N N 111.890 0.300 1 1005 96 96 SER H H 8.229 0.030 1 1006 96 96 SER HA H 4.495 0.030 1 1007 96 96 SER HB2 H 3.846 0.030 1 1008 96 96 SER HB3 H 3.846 0.030 1 1009 96 96 SER C C 174.032 0.300 1 1010 96 96 SER CA C 58.337 0.300 1 1011 96 96 SER CB C 63.959 0.300 1 1012 96 96 SER N N 117.973 0.300 1 1013 97 97 ILE H H 8.075 0.030 1 1014 97 97 ILE HA H 4.197 0.030 1 1015 97 97 ILE HB H 1.794 0.030 1 1016 97 97 ILE HD1 H 0.826 0.030 1 1017 97 97 ILE HG12 H 1.431 0.030 2 1018 97 97 ILE HG13 H 1.118 0.030 2 1019 97 97 ILE HG2 H 0.763 0.030 1 1020 97 97 ILE C C 175.896 0.300 1 1021 97 97 ILE CA C 61.130 0.300 1 1022 97 97 ILE CB C 38.722 0.300 1 1023 97 97 ILE CD1 C 12.875 0.300 1 1024 97 97 ILE CG1 C 27.407 0.300 1 1025 97 97 ILE CG2 C 17.368 0.300 1 1026 97 97 ILE N N 122.708 0.300 1 1027 98 98 VAL H H 8.234 0.030 1 1028 98 98 VAL HA H 4.089 0.030 1 1029 98 98 VAL HB H 1.971 0.030 1 1030 98 98 VAL HG1 H 0.868 0.030 1 1031 98 98 VAL HG2 H 0.870 0.030 1 1032 98 98 VAL C C 175.644 0.300 1 1033 98 98 VAL CA C 62.057 0.300 1 1034 98 98 VAL CB C 32.843 0.300 1 1035 98 98 VAL CG1 C 20.627 0.300 2 1036 98 98 VAL CG2 C 20.598 0.300 2 1037 98 98 VAL N N 124.753 0.300 1 1038 99 99 HIS H H 8.452 0.030 1 1039 99 99 HIS HD2 H 7.035 0.030 1 1040 99 99 HIS HE1 H 7.881 0.030 1 1041 99 99 HIS C C 175.461 0.300 1 1042 99 99 HIS CA C 56.114 0.300 1 1043 99 99 HIS CB C 30.948 0.300 1 1044 99 99 HIS CD2 C 119.895 0.300 1 1045 99 99 HIS CE1 C 138.020 0.300 1 1046 99 99 HIS N N 124.165 0.300 1 1047 102 102 SER HA H 4.470 0.030 1 1048 102 102 SER HB2 H 3.897 0.030 1 1049 102 102 SER HB3 H 3.897 0.030 1 1050 102 102 SER C C 174.957 0.300 1 1051 102 102 SER CA C 58.719 0.300 1 1052 102 102 SER CB C 63.762 0.300 1 1053 103 103 GLY H H 8.262 0.030 1 1054 103 103 GLY HA2 H 4.008 0.030 2 1055 103 103 GLY HA3 H 3.903 0.030 2 1056 103 103 GLY C C 173.810 0.300 1 1057 103 103 GLY CA C 45.318 0.300 1 1058 103 103 GLY N N 110.572 0.300 1 1059 104 104 ASP H H 8.122 0.030 1 1060 104 104 ASP HA H 4.610 0.030 1 1061 104 104 ASP HB2 H 2.532 0.030 2 1062 104 104 ASP HB3 H 2.646 0.030 2 1063 104 104 ASP C C 176.127 0.300 1 1064 104 104 ASP CA C 54.521 0.300 1 1065 104 104 ASP CB C 41.319 0.300 1 1066 104 104 ASP N N 120.548 0.300 1 1067 105 105 ILE H H 8.116 0.030 1 1068 105 105 ILE HA H 4.143 0.030 1 1069 105 105 ILE HB H 1.839 0.030 1 1070 105 105 ILE HD1 H 0.831 0.030 1 1071 105 105 ILE HG12 H 1.431 0.030 2 1072 105 105 ILE HG13 H 1.117 0.030 2 1073 105 105 ILE HG2 H 0.854 0.030 1 1074 105 105 ILE C C 175.831 0.300 1 1075 105 105 ILE CA C 61.148 0.300 1 1076 105 105 ILE CB C 38.788 0.300 1 1077 105 105 ILE CD1 C 13.041 0.300 1 1078 105 105 ILE CG1 C 27.075 0.300 1 1079 105 105 ILE CG2 C 17.691 0.300 1 1080 105 105 ILE N N 120.900 0.300 1 1081 106 106 LEU H H 8.318 0.030 1 1082 106 106 LEU HA H 4.383 0.030 1 1083 106 106 LEU HB2 H 1.546 0.030 2 1084 106 106 LEU HB3 H 1.589 0.030 2 1085 106 106 LEU HD1 H 0.894 0.030 1 1086 106 106 LEU HD2 H 0.834 0.030 1 1087 106 106 LEU HG H 1.562 0.030 1 1088 106 106 LEU C C 176.648 0.300 1 1089 106 106 LEU CA C 54.915 0.300 1 1090 106 106 LEU CB C 42.537 0.300 1 1091 106 106 LEU CD1 C 24.779 0.300 2 1092 106 106 LEU CD2 C 23.800 0.300 2 1093 106 106 LEU CG C 26.992 0.300 1 1094 106 106 LEU N N 126.427 0.300 1 1095 107 107 MET H H 8.353 0.030 1 1096 107 107 MET HA H 4.549 0.030 1 1097 107 107 MET HB2 H 1.962 0.030 1 1098 107 107 MET HB3 H 1.962 0.030 1 1099 107 107 MET HE H 2.065 0.030 1 1100 107 107 MET HG2 H 2.475 0.030 2 1101 107 107 MET HG3 H 2.549 0.030 2 1102 107 107 MET C C 175.593 0.300 1 1103 107 107 MET CA C 55.016 0.300 1 1104 107 107 MET CB C 32.704 0.300 1 1105 107 107 MET CE C 17.084 0.300 1 1106 107 107 MET CG C 31.975 0.300 1 1107 107 107 MET N N 122.573 0.300 1 1108 108 108 ILE H H 8.132 0.030 1 1109 108 108 ILE HA H 4.229 0.030 1 1110 108 108 ILE HB H 1.868 0.030 1 1111 108 108 ILE HD1 H 1.130 0.030 1 1112 108 108 ILE HG12 H 1.424 0.030 2 1113 108 108 ILE HG2 H 0.887 0.030 1 1114 108 108 ILE C C 174.962 0.300 1 1115 108 108 ILE CA C 60.953 0.300 1 1116 108 108 ILE CB C 39.247 0.300 1 1117 108 108 ILE CD1 C 13.064 0.300 1 1118 108 108 ILE CG1 C 26.494 0.300 1 1119 108 108 ILE CG2 C 17.691 0.300 1 1120 108 108 ILE N N 122.240 0.300 1 1121 109 109 ASP H H 7.965 0.030 1 1122 109 109 ASP HA H 4.359 0.030 1 1123 109 109 ASP HB2 H 2.532 0.030 2 1124 109 109 ASP HB3 H 2.632 0.030 2 1125 109 109 ASP C C 180.765 0.300 1 1126 109 109 ASP CA C 55.987 0.300 1 1127 109 109 ASP CB C 42.377 0.300 1 1128 109 109 ASP N N 129.608 0.300 1 stop_ save_