data_11262 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal Ubiquitin-like Domain in the 4931431F19Rik Protein ; _BMRB_accession_number 11262 _BMRB_flat_file_name bmr11262.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 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 498 "13C chemical shifts" 373 "15N chemical shifts" 85 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 ; Solution Structure of the N-terminal Ubiquitin-like Domain in the 4931431F19Rik Protein ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao C. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RIKEN cDNA 4931431F19' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ubiquitin-like 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 'ubiquitin-like domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GSSGSSGVSGREPSSRIIRV SVKTPQDCHEFFLAENSNVR RFKKQISKYLHCNADRLVLI FTGKILRDQDILSQRGILDG STVHVVVRSHSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 SER 10 GLY 11 ARG 12 GLU 13 PRO 14 SER 15 SER 16 ARG 17 ILE 18 ILE 19 ARG 20 VAL 21 SER 22 VAL 23 LYS 24 THR 25 PRO 26 GLN 27 ASP 28 CYS 29 HIS 30 GLU 31 PHE 32 PHE 33 LEU 34 ALA 35 GLU 36 ASN 37 SER 38 ASN 39 VAL 40 ARG 41 ARG 42 PHE 43 LYS 44 LYS 45 GLN 46 ILE 47 SER 48 LYS 49 TYR 50 LEU 51 HIS 52 CYS 53 ASN 54 ALA 55 ASP 56 ARG 57 LEU 58 VAL 59 LEU 60 ILE 61 PHE 62 THR 63 GLY 64 LYS 65 ILE 66 LEU 67 ARG 68 ASP 69 GLN 70 ASP 71 ILE 72 LEU 73 SER 74 GLN 75 ARG 76 GLY 77 ILE 78 LEU 79 ASP 80 GLY 81 SER 82 THR 83 VAL 84 HIS 85 VAL 86 VAL 87 VAL 88 ARG 89 SER 90 HIS 91 SER 92 GLY 93 PRO 94 SER 95 SER 96 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 1WX8 "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In The 4931431f19rik Protein" 100.00 96 100.00 100.00 6.57e-61 DBJ BAB30272 "unnamed protein product [Mus musculus]" 86.46 510 100.00 100.00 2.37e-49 GB EDL16710 "mCG53927 [Mus musculus]" 86.46 510 100.00 100.00 2.37e-49 REF NP_081910 "ubiquilin 1-like [Mus musculus]" 86.46 510 100.00 100.00 2.37e-49 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P040705-07 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.51mM protein U-15N, 13C, 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.51 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 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.921 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298.0 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'ubiquitin-like 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 HA2 H 4.003 0.030 1 2 7 7 GLY HA3 H 4.003 0.030 1 3 7 7 GLY C C 174.216 0.300 1 4 7 7 GLY CA C 45.362 0.300 1 5 8 8 VAL H H 8.032 0.030 1 6 8 8 VAL HA H 4.193 0.030 1 7 8 8 VAL HB H 2.113 0.030 1 8 8 8 VAL HG1 H 0.921 0.030 1 9 8 8 VAL HG2 H 0.936 0.030 1 10 8 8 VAL C C 176.513 0.300 1 11 8 8 VAL CA C 62.333 0.300 1 12 8 8 VAL CB C 32.669 0.300 1 13 8 8 VAL CG1 C 20.244 0.300 2 14 8 8 VAL CG2 C 21.134 0.300 2 15 8 8 VAL N N 119.030 0.300 1 16 9 9 SER H H 8.500 0.030 1 17 9 9 SER HA H 4.472 0.030 1 18 9 9 SER HB2 H 3.895 0.030 1 19 9 9 SER HB3 H 3.895 0.030 1 20 9 9 SER C C 175.137 0.300 1 21 9 9 SER CA C 58.638 0.300 1 22 9 9 SER CB C 63.951 0.300 1 23 9 9 SER N N 119.520 0.300 1 24 10 10 GLY H H 8.453 0.030 1 25 10 10 GLY HA2 H 3.987 0.030 1 26 10 10 GLY HA3 H 3.987 0.030 1 27 10 10 GLY C C 173.943 0.300 1 28 10 10 GLY CA C 45.368 0.300 1 29 10 10 GLY N N 111.046 0.300 1 30 11 11 ARG H H 8.118 0.030 1 31 11 11 ARG HA H 4.377 0.030 1 32 11 11 ARG HB2 H 1.712 0.030 2 33 11 11 ARG HB3 H 1.847 0.030 2 34 11 11 ARG HD2 H 3.189 0.030 1 35 11 11 ARG HD3 H 3.189 0.030 1 36 11 11 ARG HG2 H 1.622 0.030 2 37 11 11 ARG HG3 H 1.827 0.030 2 38 11 11 ARG C C 176.146 0.300 1 39 11 11 ARG CA C 55.764 0.300 1 40 11 11 ARG CB C 30.938 0.300 1 41 11 11 ARG CD C 43.356 0.300 1 42 11 11 ARG CG C 26.989 0.300 1 43 11 11 ARG N N 120.169 0.300 1 44 12 12 GLU H H 8.520 0.030 1 45 12 12 GLU HA H 4.558 0.030 1 46 12 12 GLU HB2 H 1.907 0.030 2 47 12 12 GLU HB3 H 2.035 0.030 2 48 12 12 GLU HG2 H 2.312 0.030 1 49 12 12 GLU HG3 H 2.312 0.030 1 50 12 12 GLU C C 174.690 0.300 1 51 12 12 GLU CA C 54.653 0.300 1 52 12 12 GLU CB C 29.451 0.300 1 53 12 12 GLU CG C 35.979 0.300 1 54 12 12 GLU N N 123.713 0.300 1 55 13 13 PRO HA H 4.439 0.030 1 56 13 13 PRO HB2 H 2.303 0.030 2 57 13 13 PRO HB3 H 1.939 0.030 2 58 13 13 PRO HD2 H 3.696 0.030 2 59 13 13 PRO HD3 H 3.829 0.030 2 60 13 13 PRO HG2 H 2.026 0.030 1 61 13 13 PRO HG3 H 2.026 0.030 1 62 13 13 PRO C C 176.891 0.300 1 63 13 13 PRO CA C 63.321 0.300 1 64 13 13 PRO CB C 32.058 0.300 1 65 13 13 PRO CD C 50.695 0.300 1 66 13 13 PRO CG C 27.400 0.300 1 67 14 14 SER H H 8.443 0.030 1 68 14 14 SER HA H 4.458 0.030 1 69 14 14 SER HB2 H 3.889 0.030 1 70 14 14 SER HB3 H 3.889 0.030 1 71 14 14 SER C C 174.183 0.300 1 72 14 14 SER CA C 58.384 0.300 1 73 14 14 SER CB C 64.003 0.300 1 74 14 14 SER N N 116.574 0.300 1 75 15 15 SER H H 8.239 0.030 1 76 15 15 SER HA H 4.534 0.030 1 77 15 15 SER HB2 H 3.785 0.030 2 78 15 15 SER HB3 H 3.875 0.030 2 79 15 15 SER C C 173.937 0.300 1 80 15 15 SER CA C 57.820 0.300 1 81 15 15 SER CB C 64.199 0.300 1 82 15 15 SER N N 117.370 0.300 1 83 16 16 ARG H H 8.580 0.030 1 84 16 16 ARG HA H 4.218 0.030 1 85 16 16 ARG HB2 H 1.708 0.030 1 86 16 16 ARG HB3 H 1.708 0.030 1 87 16 16 ARG HD2 H 3.161 0.030 1 88 16 16 ARG HD3 H 3.161 0.030 1 89 16 16 ARG HG2 H 1.524 0.030 1 90 16 16 ARG HG3 H 1.524 0.030 1 91 16 16 ARG C C 175.092 0.300 1 92 16 16 ARG CA C 56.557 0.300 1 93 16 16 ARG CB C 30.891 0.300 1 94 16 16 ARG CD C 43.603 0.300 1 95 16 16 ARG CG C 27.054 0.300 1 96 16 16 ARG N N 124.128 0.300 1 97 17 17 ILE H H 8.385 0.030 1 98 17 17 ILE HA H 4.209 0.030 1 99 17 17 ILE HB H 1.879 0.030 1 100 17 17 ILE HD1 H 0.697 0.030 1 101 17 17 ILE HG12 H 1.357 0.030 2 102 17 17 ILE HG13 H 1.458 0.030 2 103 17 17 ILE HG2 H 0.842 0.030 1 104 17 17 ILE C C 176.368 0.300 1 105 17 17 ILE CA C 59.589 0.300 1 106 17 17 ILE CB C 36.702 0.300 1 107 17 17 ILE CD1 C 10.188 0.300 1 108 17 17 ILE CG1 C 27.109 0.300 1 109 17 17 ILE CG2 C 18.164 0.300 1 110 17 17 ILE N N 124.763 0.300 1 111 18 18 ILE H H 9.013 0.030 1 112 18 18 ILE HA H 4.656 0.030 1 113 18 18 ILE HB H 1.585 0.030 1 114 18 18 ILE HD1 H 0.471 0.030 1 115 18 18 ILE HG12 H 0.841 0.030 2 116 18 18 ILE HG13 H 1.245 0.030 2 117 18 18 ILE HG2 H 0.878 0.030 1 118 18 18 ILE C C 172.536 0.300 1 119 18 18 ILE CA C 59.616 0.300 1 120 18 18 ILE CB C 42.158 0.300 1 121 18 18 ILE CD1 C 14.262 0.300 1 122 18 18 ILE CG1 C 25.009 0.300 1 123 18 18 ILE CG2 C 19.038 0.300 1 124 18 18 ILE N N 123.481 0.300 1 125 19 19 ARG H H 8.649 0.030 1 126 19 19 ARG HA H 4.645 0.030 1 127 19 19 ARG HB2 H 1.636 0.030 2 128 19 19 ARG HB3 H 1.378 0.030 2 129 19 19 ARG HD2 H 2.996 0.030 2 130 19 19 ARG HD3 H 3.141 0.030 2 131 19 19 ARG HE H 7.518 0.030 1 132 19 19 ARG HG2 H 0.912 0.030 2 133 19 19 ARG HG3 H 0.646 0.030 2 134 19 19 ARG C C 175.461 0.300 1 135 19 19 ARG CA C 53.879 0.300 1 136 19 19 ARG CB C 32.025 0.300 1 137 19 19 ARG CD C 43.274 0.300 1 138 19 19 ARG CG C 26.325 0.300 1 139 19 19 ARG N N 122.063 0.300 1 140 19 19 ARG NE N 84.091 0.300 1 141 20 20 VAL H H 8.889 0.030 1 142 20 20 VAL HA H 4.458 0.030 1 143 20 20 VAL HB H 1.566 0.030 1 144 20 20 VAL HG1 H 0.753 0.030 1 145 20 20 VAL HG2 H 0.442 0.030 1 146 20 20 VAL C C 175.779 0.300 1 147 20 20 VAL CA C 60.724 0.300 1 148 20 20 VAL CB C 35.239 0.300 1 149 20 20 VAL CG1 C 21.889 0.300 2 150 20 20 VAL CG2 C 21.699 0.300 2 151 20 20 VAL N N 125.410 0.300 1 152 21 21 SER H H 8.811 0.030 1 153 21 21 SER HA H 4.844 0.030 1 154 21 21 SER HB2 H 3.646 0.030 2 155 21 21 SER HB3 H 3.804 0.030 2 156 21 21 SER C C 173.054 0.300 1 157 21 21 SER CA C 58.398 0.300 1 158 21 21 SER CB C 63.662 0.300 1 159 21 21 SER N N 122.813 0.300 1 160 22 22 VAL H H 9.156 0.030 1 161 22 22 VAL HA H 4.926 0.030 1 162 22 22 VAL HB H 2.247 0.030 1 163 22 22 VAL HG1 H 0.713 0.030 1 164 22 22 VAL HG2 H 0.801 0.030 1 165 22 22 VAL C C 174.626 0.300 1 166 22 22 VAL CA C 60.710 0.300 1 167 22 22 VAL CB C 33.475 0.300 1 168 22 22 VAL CG1 C 21.360 0.300 2 169 22 22 VAL CG2 C 23.534 0.300 2 170 22 22 VAL N N 125.985 0.300 1 171 23 23 LYS H H 8.815 0.030 1 172 23 23 LYS HA H 5.019 0.030 1 173 23 23 LYS HB2 H 1.674 0.030 2 174 23 23 LYS HB3 H 1.312 0.030 2 175 23 23 LYS HD2 H 1.583 0.030 2 176 23 23 LYS HD3 H 1.681 0.030 2 177 23 23 LYS HE2 H 3.009 0.030 1 178 23 23 LYS HE3 H 3.009 0.030 1 179 23 23 LYS HG2 H 1.356 0.030 1 180 23 23 LYS HG3 H 1.356 0.030 1 181 23 23 LYS C C 176.220 0.300 1 182 23 23 LYS CA C 55.332 0.300 1 183 23 23 LYS CB C 34.444 0.300 1 184 23 23 LYS CD C 29.240 0.300 1 185 23 23 LYS CE C 42.369 0.300 1 186 23 23 LYS CG C 25.596 0.300 1 187 23 23 LYS N N 128.845 0.300 1 188 24 24 THR H H 8.789 0.030 1 189 24 24 THR HA H 5.188 0.030 1 190 24 24 THR HG2 H 1.272 0.030 1 191 24 24 THR C C 173.253 0.300 1 192 24 24 THR CA C 59.849 0.300 1 193 24 24 THR CB C 68.048 0.300 1 194 24 24 THR CG2 C 21.603 0.300 1 195 24 24 THR N N 119.254 0.300 1 196 25 25 PRO HA H 4.434 0.030 1 197 25 25 PRO HB2 H 2.503 0.030 2 198 25 25 PRO HB3 H 1.901 0.030 2 199 25 25 PRO HD2 H 3.802 0.030 2 200 25 25 PRO HD3 H 4.128 0.030 2 201 25 25 PRO HG2 H 2.269 0.030 2 202 25 25 PRO HG3 H 2.099 0.030 2 203 25 25 PRO C C 177.150 0.300 1 204 25 25 PRO CA C 65.760 0.300 1 205 25 25 PRO CB C 31.666 0.300 1 206 25 25 PRO CD C 50.616 0.300 1 207 25 25 PRO CG C 28.754 0.300 1 208 26 26 GLN H H 7.841 0.030 1 209 26 26 GLN HA H 4.569 0.030 1 210 26 26 GLN HB2 H 1.982 0.030 2 211 26 26 GLN HB3 H 2.174 0.030 2 212 26 26 GLN HE21 H 7.554 0.030 2 213 26 26 GLN HE22 H 6.847 0.030 2 214 26 26 GLN HG2 H 2.297 0.030 2 215 26 26 GLN HG3 H 2.376 0.030 2 216 26 26 GLN C C 174.853 0.300 1 217 26 26 GLN CA C 55.924 0.300 1 218 26 26 GLN CB C 30.729 0.300 1 219 26 26 GLN CG C 34.144 0.300 1 220 26 26 GLN N N 111.157 0.300 1 221 26 26 GLN NE2 N 112.005 0.300 1 222 27 27 ASP H H 7.879 0.030 1 223 27 27 ASP HA H 4.870 0.030 1 224 27 27 ASP HB2 H 2.567 0.030 2 225 27 27 ASP HB3 H 2.624 0.030 2 226 27 27 ASP C C 174.053 0.300 1 227 27 27 ASP CA C 53.533 0.300 1 228 27 27 ASP CB C 44.589 0.300 1 229 27 27 ASP N N 119.728 0.300 1 230 28 28 CYS H H 8.584 0.030 1 231 28 28 CYS HA H 5.429 0.030 1 232 28 28 CYS HB2 H 2.767 0.030 2 233 28 28 CYS HB3 H 2.846 0.030 2 234 28 28 CYS C C 173.102 0.300 1 235 28 28 CYS CA C 57.487 0.300 1 236 28 28 CYS CB C 28.459 0.300 1 237 28 28 CYS N N 119.972 0.300 1 238 29 29 HIS H H 8.999 0.030 1 239 29 29 HIS HA H 4.789 0.030 1 240 29 29 HIS HB2 H 2.515 0.030 2 241 29 29 HIS HB3 H 2.759 0.030 2 242 29 29 HIS C C 173.053 0.300 1 243 29 29 HIS CA C 54.771 0.300 1 244 29 29 HIS CB C 33.406 0.300 1 245 29 29 HIS N N 126.647 0.300 1 246 30 30 GLU H H 8.016 0.030 1 247 30 30 GLU HA H 4.732 0.030 1 248 30 30 GLU HB2 H 1.636 0.030 2 249 30 30 GLU HB3 H 1.472 0.030 2 250 30 30 GLU HG2 H 1.877 0.030 2 251 30 30 GLU HG3 H 1.982 0.030 2 252 30 30 GLU C C 174.644 0.300 1 253 30 30 GLU CA C 55.630 0.300 1 254 30 30 GLU CB C 30.976 0.300 1 255 30 30 GLU CG C 36.365 0.300 1 256 30 30 GLU N N 124.537 0.300 1 257 31 31 PHE H H 8.754 0.030 1 258 31 31 PHE HA H 4.579 0.030 1 259 31 31 PHE HB2 H 2.970 0.030 2 260 31 31 PHE HB3 H 2.795 0.030 2 261 31 31 PHE HD1 H 7.416 0.030 1 262 31 31 PHE HD2 H 7.416 0.030 1 263 31 31 PHE HE1 H 7.040 0.030 1 264 31 31 PHE HE2 H 7.040 0.030 1 265 31 31 PHE HZ H 6.839 0.030 1 266 31 31 PHE C C 173.012 0.300 1 267 31 31 PHE CA C 57.009 0.300 1 268 31 31 PHE CB C 43.147 0.300 1 269 31 31 PHE CD1 C 132.778 0.300 1 270 31 31 PHE CD2 C 132.778 0.300 1 271 31 31 PHE CE1 C 130.496 0.300 1 272 31 31 PHE CE2 C 130.496 0.300 1 273 31 31 PHE CZ C 129.052 0.300 1 274 31 31 PHE N N 122.169 0.300 1 275 32 32 PHE H H 8.664 0.030 1 276 32 32 PHE HA H 5.538 0.030 1 277 32 32 PHE HB2 H 2.656 0.030 2 278 32 32 PHE HB3 H 2.819 0.030 2 279 32 32 PHE HD1 H 7.080 0.030 1 280 32 32 PHE HD2 H 7.080 0.030 1 281 32 32 PHE HE1 H 7.203 0.030 1 282 32 32 PHE HE2 H 7.203 0.030 1 283 32 32 PHE HZ H 7.161 0.030 1 284 32 32 PHE C C 175.916 0.300 1 285 32 32 PHE CA C 56.241 0.300 1 286 32 32 PHE CB C 40.141 0.300 1 287 32 32 PHE CD1 C 131.781 0.300 1 288 32 32 PHE CD2 C 131.781 0.300 1 289 32 32 PHE CE1 C 131.125 0.300 1 290 32 32 PHE CE2 C 131.125 0.300 1 291 32 32 PHE CZ C 129.314 0.300 1 292 32 32 PHE N N 118.906 0.300 1 293 33 33 LEU H H 8.999 0.030 1 294 33 33 LEU HA H 4.699 0.030 1 295 33 33 LEU HB2 H 1.838 0.030 2 296 33 33 LEU HB3 H 1.550 0.030 2 297 33 33 LEU HD1 H 0.264 0.030 1 298 33 33 LEU HD2 H 0.192 0.030 1 299 33 33 LEU HG H 1.225 0.030 1 300 33 33 LEU C C 174.507 0.300 1 301 33 33 LEU CA C 54.824 0.300 1 302 33 33 LEU CB C 43.633 0.300 1 303 33 33 LEU CD1 C 24.210 0.300 2 304 33 33 LEU CD2 C 26.252 0.300 2 305 33 33 LEU CG C 26.811 0.300 1 306 33 33 LEU N N 123.620 0.300 1 307 34 34 ALA H H 8.499 0.030 1 308 34 34 ALA HA H 4.506 0.030 1 309 34 34 ALA HB H 1.384 0.030 1 310 34 34 ALA C C 180.831 0.300 1 311 34 34 ALA CA C 52.261 0.300 1 312 34 34 ALA CB C 18.818 0.300 1 313 34 34 ALA N N 122.156 0.300 1 314 35 35 GLU H H 8.881 0.030 1 315 35 35 GLU HA H 3.906 0.030 1 316 35 35 GLU HB2 H 2.135 0.030 2 317 35 35 GLU HB3 H 1.975 0.030 2 318 35 35 GLU HG2 H 2.170 0.030 2 319 35 35 GLU HG3 H 2.494 0.030 2 320 35 35 GLU C C 174.082 0.300 1 321 35 35 GLU CA C 58.173 0.300 1 322 35 35 GLU CB C 28.997 0.300 1 323 35 35 GLU CG C 34.802 0.300 1 324 35 35 GLU N N 121.148 0.300 1 325 36 36 ASN H H 7.724 0.030 1 326 36 36 ASN HA H 4.826 0.030 1 327 36 36 ASN HB2 H 3.061 0.030 2 328 36 36 ASN HB3 H 2.852 0.030 2 329 36 36 ASN HD21 H 6.814 0.030 2 330 36 36 ASN HD22 H 7.500 0.030 2 331 36 36 ASN C C 175.173 0.300 1 332 36 36 ASN CA C 51.667 0.300 1 333 36 36 ASN CB C 36.945 0.300 1 334 36 36 ASN N N 114.454 0.300 1 335 36 36 ASN ND2 N 111.258 0.300 1 336 37 37 SER H H 7.503 0.030 1 337 37 37 SER HA H 4.338 0.030 1 338 37 37 SER HB2 H 3.764 0.030 1 339 37 37 SER HB3 H 3.764 0.030 1 340 37 37 SER C C 172.895 0.300 1 341 37 37 SER CA C 59.814 0.300 1 342 37 37 SER CB C 64.548 0.300 1 343 37 37 SER N N 114.360 0.300 1 344 38 38 ASN H H 8.023 0.030 1 345 38 38 ASN HA H 5.840 0.030 1 346 38 38 ASN HB2 H 2.730 0.030 2 347 38 38 ASN HB3 H 3.237 0.030 2 348 38 38 ASN HD21 H 7.611 0.030 2 349 38 38 ASN HD22 H 6.792 0.030 2 350 38 38 ASN C C 176.648 0.300 1 351 38 38 ASN CA C 50.489 0.300 1 352 38 38 ASN CB C 39.920 0.300 1 353 38 38 ASN N N 118.053 0.300 1 354 38 38 ASN ND2 N 110.810 0.300 1 355 39 39 VAL H H 8.260 0.030 1 356 39 39 VAL HA H 3.584 0.030 1 357 39 39 VAL HB H 2.699 0.030 1 358 39 39 VAL HG1 H 0.807 0.030 1 359 39 39 VAL HG2 H 1.031 0.030 1 360 39 39 VAL C C 177.465 0.300 1 361 39 39 VAL CA C 66.396 0.300 1 362 39 39 VAL CB C 31.204 0.300 1 363 39 39 VAL CG1 C 21.712 0.300 2 364 39 39 VAL CG2 C 26.331 0.300 2 365 39 39 VAL N N 121.881 0.300 1 366 40 40 ARG H H 8.620 0.030 1 367 40 40 ARG HA H 3.767 0.030 1 368 40 40 ARG HB2 H 1.713 0.030 2 369 40 40 ARG HB3 H 1.899 0.030 2 370 40 40 ARG HD2 H 3.226 0.030 1 371 40 40 ARG HD3 H 3.226 0.030 1 372 40 40 ARG HG2 H 1.613 0.030 1 373 40 40 ARG HG3 H 1.613 0.030 1 374 40 40 ARG C C 178.394 0.300 1 375 40 40 ARG CA C 60.440 0.300 1 376 40 40 ARG CB C 29.925 0.300 1 377 40 40 ARG CD C 43.110 0.300 1 378 40 40 ARG CG C 27.235 0.300 1 379 40 40 ARG N N 123.400 0.300 1 380 41 41 ARG H H 8.328 0.030 1 381 41 41 ARG HA H 4.081 0.030 1 382 41 41 ARG HB2 H 2.032 0.030 1 383 41 41 ARG HB3 H 2.032 0.030 1 384 41 41 ARG HD2 H 3.310 0.030 1 385 41 41 ARG HD3 H 3.310 0.030 1 386 41 41 ARG HG2 H 1.897 0.030 2 387 41 41 ARG HG3 H 1.771 0.030 2 388 41 41 ARG C C 179.434 0.300 1 389 41 41 ARG CA C 59.428 0.300 1 390 41 41 ARG CB C 29.726 0.300 1 391 41 41 ARG CD C 43.521 0.300 1 392 41 41 ARG CG C 27.820 0.300 1 393 41 41 ARG N N 118.805 0.300 1 394 42 42 PHE H H 7.863 0.030 1 395 42 42 PHE HA H 4.753 0.030 1 396 42 42 PHE HB2 H 3.095 0.030 2 397 42 42 PHE HB3 H 3.331 0.030 2 398 42 42 PHE HD1 H 6.980 0.030 1 399 42 42 PHE HD2 H 6.980 0.030 1 400 42 42 PHE HE1 H 6.582 0.030 1 401 42 42 PHE HE2 H 6.582 0.030 1 402 42 42 PHE C C 177.987 0.300 1 403 42 42 PHE CA C 56.570 0.300 1 404 42 42 PHE CB C 38.710 0.300 1 405 42 42 PHE CD1 C 130.936 0.300 1 406 42 42 PHE CD2 C 130.936 0.300 1 407 42 42 PHE CE1 C 129.578 0.300 1 408 42 42 PHE CE2 C 129.578 0.300 1 409 42 42 PHE N N 121.912 0.300 1 410 43 43 LYS H H 9.325 0.030 1 411 43 43 LYS HA H 3.443 0.030 1 412 43 43 LYS HB2 H 2.070 0.030 2 413 43 43 LYS HB3 H 1.747 0.030 2 414 43 43 LYS HD2 H 1.724 0.030 1 415 43 43 LYS HD3 H 1.724 0.030 1 416 43 43 LYS HE2 H 2.748 0.030 2 417 43 43 LYS HE3 H 2.645 0.030 2 418 43 43 LYS HG2 H 1.563 0.030 2 419 43 43 LYS HG3 H 0.972 0.030 2 420 43 43 LYS C C 178.671 0.300 1 421 43 43 LYS CA C 60.719 0.300 1 422 43 43 LYS CB C 33.380 0.300 1 423 43 43 LYS CD C 30.212 0.300 1 424 43 43 LYS CE C 42.287 0.300 1 425 43 43 LYS CG C 27.540 0.300 1 426 43 43 LYS N N 118.085 0.300 1 427 44 44 LYS H H 7.826 0.030 1 428 44 44 LYS HA H 3.970 0.030 1 429 44 44 LYS HB2 H 2.056 0.030 1 430 44 44 LYS HB3 H 2.056 0.030 1 431 44 44 LYS HD2 H 1.725 0.030 1 432 44 44 LYS HD3 H 1.725 0.030 1 433 44 44 LYS HE2 H 2.996 0.030 1 434 44 44 LYS HE3 H 2.996 0.030 1 435 44 44 LYS HG2 H 1.466 0.030 2 436 44 44 LYS HG3 H 1.623 0.030 2 437 44 44 LYS C C 179.285 0.300 1 438 44 44 LYS CA C 59.893 0.300 1 439 44 44 LYS CB C 31.671 0.300 1 440 44 44 LYS CD C 29.240 0.300 1 441 44 44 LYS CE C 42.123 0.300 1 442 44 44 LYS CG C 25.110 0.300 1 443 44 44 LYS N N 119.559 0.300 1 444 45 45 GLN H H 7.708 0.030 1 445 45 45 GLN HA H 4.201 0.030 1 446 45 45 GLN HB2 H 2.479 0.030 2 447 45 45 GLN HB3 H 2.343 0.030 2 448 45 45 GLN HE21 H 6.853 0.030 2 449 45 45 GLN HE22 H 7.555 0.030 2 450 45 45 GLN HG2 H 2.731 0.030 2 451 45 45 GLN HG3 H 2.465 0.030 2 452 45 45 GLN C C 179.381 0.300 1 453 45 45 GLN CA C 59.550 0.300 1 454 45 45 GLN CB C 28.896 0.300 1 455 45 45 GLN CG C 33.898 0.300 1 456 45 45 GLN N N 120.696 0.300 1 457 45 45 GLN NE2 N 108.834 0.300 1 458 46 46 ILE H H 8.363 0.030 1 459 46 46 ILE HA H 3.513 0.030 1 460 46 46 ILE HB H 1.287 0.030 1 461 46 46 ILE HD1 H -0.499 0.030 1 462 46 46 ILE HG12 H -0.302 0.030 2 463 46 46 ILE HG13 H 0.838 0.030 2 464 46 46 ILE HG2 H 0.618 0.030 1 465 46 46 ILE C C 178.237 0.300 1 466 46 46 ILE CA C 65.157 0.300 1 467 46 46 ILE CB C 38.352 0.300 1 468 46 46 ILE CD1 C 13.925 0.300 1 469 46 46 ILE CG1 C 27.540 0.300 1 470 46 46 ILE CG2 C 18.564 0.300 1 471 46 46 ILE N N 120.431 0.300 1 472 47 47 SER H H 8.682 0.030 1 473 47 47 SER HA H 3.853 0.030 1 474 47 47 SER HB2 H 4.115 0.030 2 475 47 47 SER HB3 H 4.315 0.030 2 476 47 47 SER C C 176.201 0.300 1 477 47 47 SER CA C 62.013 0.300 1 478 47 47 SER CB C 61.958 0.300 1 479 47 47 SER N N 116.144 0.300 1 480 48 48 LYS H H 7.373 0.030 1 481 48 48 LYS HA H 4.183 0.030 1 482 48 48 LYS HB2 H 1.999 0.030 1 483 48 48 LYS HB3 H 1.999 0.030 1 484 48 48 LYS HD2 H 1.778 0.030 1 485 48 48 LYS HD3 H 1.778 0.030 1 486 48 48 LYS HE2 H 3.045 0.030 1 487 48 48 LYS HE3 H 3.045 0.030 1 488 48 48 LYS HG2 H 1.521 0.030 2 489 48 48 LYS HG3 H 1.638 0.030 2 490 48 48 LYS C C 178.399 0.300 1 491 48 48 LYS CA C 58.615 0.300 1 492 48 48 LYS CB C 32.274 0.300 1 493 48 48 LYS CD C 29.292 0.300 1 494 48 48 LYS CE C 42.287 0.300 1 495 48 48 LYS CG C 25.110 0.300 1 496 48 48 LYS N N 121.655 0.300 1 497 49 49 TYR H H 7.405 0.030 1 498 49 49 TYR HA H 4.240 0.030 1 499 49 49 TYR HB2 H 3.226 0.030 2 500 49 49 TYR HB3 H 3.358 0.030 2 501 49 49 TYR HD1 H 6.912 0.030 1 502 49 49 TYR HD2 H 6.912 0.030 1 503 49 49 TYR HE1 H 6.487 0.030 1 504 49 49 TYR HE2 H 6.487 0.030 1 505 49 49 TYR C C 176.716 0.300 1 506 49 49 TYR CA C 60.578 0.300 1 507 49 49 TYR CB C 39.234 0.300 1 508 49 49 TYR CD1 C 132.620 0.300 1 509 49 49 TYR CD2 C 132.620 0.300 1 510 49 49 TYR CE1 C 117.785 0.300 1 511 49 49 TYR CE2 C 117.785 0.300 1 512 49 49 TYR N N 119.649 0.300 1 513 50 50 LEU H H 8.167 0.030 1 514 50 50 LEU HA H 4.008 0.030 1 515 50 50 LEU HB2 H 1.655 0.030 2 516 50 50 LEU HB3 H 1.559 0.030 2 517 50 50 LEU HD1 H 0.803 0.030 1 518 50 50 LEU HD2 H 0.721 0.030 1 519 50 50 LEU HG H 1.815 0.030 1 520 50 50 LEU C C 176.483 0.300 1 521 50 50 LEU CA C 54.732 0.300 1 522 50 50 LEU CB C 42.604 0.300 1 523 50 50 LEU CD1 C 22.437 0.300 2 524 50 50 LEU CD2 C 26.090 0.300 2 525 50 50 LEU CG C 27.054 0.300 1 526 50 50 LEU N N 115.475 0.300 1 527 51 51 HIS H H 7.667 0.030 1 528 51 51 HIS HA H 4.230 0.030 1 529 51 51 HIS HB2 H 3.236 0.030 2 530 51 51 HIS HB3 H 3.394 0.030 2 531 51 51 HIS HD2 H 6.996 0.030 1 532 51 51 HIS C C 173.773 0.300 1 533 51 51 HIS CA C 56.485 0.300 1 534 51 51 HIS CB C 26.568 0.300 1 535 51 51 HIS CD2 C 120.047 0.300 1 536 51 51 HIS N N 115.454 0.300 1 537 52 52 CYS H H 8.085 0.030 1 538 52 52 CYS HA H 5.001 0.030 1 539 52 52 CYS HB2 H 3.036 0.030 2 540 52 52 CYS HB3 H 2.521 0.030 2 541 52 52 CYS C C 172.481 0.300 1 542 52 52 CYS CA C 55.536 0.300 1 543 52 52 CYS CB C 31.765 0.300 1 544 52 52 CYS N N 114.126 0.300 1 545 53 53 ASN HA H 4.641 0.030 1 546 53 53 ASN HB2 H 2.726 0.030 2 547 53 53 ASN HB3 H 2.774 0.030 2 548 53 53 ASN HD21 H 7.048 0.030 2 549 53 53 ASN HD22 H 7.723 0.030 2 550 53 53 ASN C C 177.137 0.300 1 551 53 53 ASN CA C 53.357 0.300 1 552 53 53 ASN CB C 39.084 0.300 1 553 53 53 ASN ND2 N 113.151 0.300 1 554 54 54 ALA H H 9.065 0.030 1 555 54 54 ALA HA H 3.819 0.030 1 556 54 54 ALA HB H 1.406 0.030 1 557 54 54 ALA C C 178.686 0.300 1 558 54 54 ALA CA C 55.486 0.300 1 559 54 54 ALA CB C 18.369 0.300 1 560 54 54 ALA N N 128.573 0.300 1 561 55 55 ASP H H 8.548 0.030 1 562 55 55 ASP HA H 4.460 0.030 1 563 55 55 ASP HB2 H 2.707 0.030 1 564 55 55 ASP HB3 H 2.707 0.030 1 565 55 55 ASP C C 177.388 0.300 1 566 55 55 ASP CA C 55.804 0.300 1 567 55 55 ASP CB C 39.917 0.300 1 568 55 55 ASP N N 114.859 0.300 1 569 56 56 ARG H H 7.676 0.030 1 570 56 56 ARG HA H 4.280 0.030 1 571 56 56 ARG HB2 H 1.758 0.030 2 572 56 56 ARG HB3 H 2.355 0.030 2 573 56 56 ARG HD2 H 3.088 0.030 2 574 56 56 ARG HD3 H 3.220 0.030 2 575 56 56 ARG HG2 H 1.772 0.030 2 576 56 56 ARG HG3 H 1.545 0.030 2 577 56 56 ARG C C 175.343 0.300 1 578 56 56 ARG CA C 55.735 0.300 1 579 56 56 ARG CB C 31.184 0.300 1 580 56 56 ARG CD C 43.685 0.300 1 581 56 56 ARG CG C 27.297 0.300 1 582 56 56 ARG N N 116.813 0.300 1 583 57 57 LEU H H 7.294 0.030 1 584 57 57 LEU HA H 4.730 0.030 1 585 57 57 LEU HB2 H 1.836 0.030 2 586 57 57 LEU HB3 H 0.926 0.030 2 587 57 57 LEU HD1 H 0.653 0.030 1 588 57 57 LEU HD2 H 0.616 0.030 1 589 57 57 LEU HG H 1.622 0.030 1 590 57 57 LEU C C 176.504 0.300 1 591 57 57 LEU CA C 54.833 0.300 1 592 57 57 LEU CB C 43.701 0.300 1 593 57 57 LEU CD1 C 27.044 0.300 2 594 57 57 LEU CD2 C 24.439 0.300 2 595 57 57 LEU CG C 26.568 0.300 1 596 57 57 LEU N N 117.064 0.300 1 597 58 58 VAL H H 8.855 0.030 1 598 58 58 VAL HA H 4.029 0.030 1 599 58 58 VAL HB H 1.970 0.030 1 600 58 58 VAL HG1 H 0.886 0.030 1 601 58 58 VAL HG2 H 0.886 0.030 1 602 58 58 VAL C C 174.061 0.300 1 603 58 58 VAL CA C 61.952 0.300 1 604 58 58 VAL CB C 34.008 0.300 1 605 58 58 VAL CG1 C 20.902 0.300 2 606 58 58 VAL CG2 C 20.902 0.300 2 607 58 58 VAL N N 124.226 0.300 1 608 59 59 LEU H H 8.847 0.030 1 609 59 59 LEU HA H 5.162 0.030 1 610 59 59 LEU HB2 H 1.376 0.030 2 611 59 59 LEU HB3 H 1.415 0.030 2 612 59 59 LEU HD1 H 0.837 0.030 1 613 59 59 LEU HD2 H 0.532 0.030 1 614 59 59 LEU HG H 1.388 0.030 1 615 59 59 LEU C C 174.975 0.300 1 616 59 59 LEU CA C 53.756 0.300 1 617 59 59 LEU CB C 44.717 0.300 1 618 59 59 LEU CD1 C 20.737 0.300 2 619 59 59 LEU CD2 C 25.836 0.300 2 620 59 59 LEU CG C 28.754 0.300 1 621 59 59 LEU N N 127.525 0.300 1 622 60 60 ILE H H 9.240 0.030 1 623 60 60 ILE HA H 4.786 0.030 1 624 60 60 ILE HB H 1.634 0.030 1 625 60 60 ILE HD1 H 0.695 0.030 1 626 60 60 ILE HG12 H 0.790 0.030 2 627 60 60 ILE HG13 H 1.388 0.030 2 628 60 60 ILE HG2 H 0.654 0.030 1 629 60 60 ILE C C 175.053 0.300 1 630 60 60 ILE CA C 60.262 0.300 1 631 60 60 ILE CB C 41.095 0.300 1 632 60 60 ILE CD1 C 13.964 0.300 1 633 60 60 ILE CG1 C 28.269 0.300 1 634 60 60 ILE CG2 C 18.015 0.300 1 635 60 60 ILE N N 123.112 0.300 1 636 61 61 PHE H H 9.220 0.030 1 637 61 61 PHE HA H 5.526 0.030 1 638 61 61 PHE HB2 H 3.045 0.030 2 639 61 61 PHE HB3 H 2.927 0.030 2 640 61 61 PHE HD1 H 7.488 0.030 1 641 61 61 PHE HD2 H 7.488 0.030 1 642 61 61 PHE HE1 H 7.367 0.030 1 643 61 61 PHE HE2 H 7.367 0.030 1 644 61 61 PHE C C 176.011 0.300 1 645 61 61 PHE CA C 55.874 0.300 1 646 61 61 PHE CB C 43.243 0.300 1 647 61 61 PHE CD1 C 132.358 0.300 1 648 61 61 PHE CD2 C 132.358 0.300 1 649 61 61 PHE CE1 C 130.992 0.300 1 650 61 61 PHE CE2 C 130.992 0.300 1 651 61 61 PHE N N 125.863 0.300 1 652 62 62 THR HA H 3.587 0.030 1 653 62 62 THR HB H 4.048 0.030 1 654 62 62 THR HG2 H 0.765 0.030 1 655 62 62 THR C C 174.515 0.300 1 656 62 62 THR CA C 61.885 0.300 1 657 62 62 THR CB C 68.530 0.300 1 658 62 62 THR CG2 C 21.889 0.300 1 659 63 63 GLY H H 8.361 0.030 1 660 63 63 GLY HA2 H 4.067 0.030 2 661 63 63 GLY HA3 H 3.405 0.030 2 662 63 63 GLY C C 173.551 0.300 1 663 63 63 GLY CA C 45.330 0.300 1 664 63 63 GLY N N 104.081 0.300 1 665 64 64 LYS H H 7.801 0.030 1 666 64 64 LYS HA H 4.661 0.030 1 667 64 64 LYS HB2 H 1.845 0.030 2 668 64 64 LYS HB3 H 1.913 0.030 2 669 64 64 LYS HD2 H 1.726 0.030 2 670 64 64 LYS HD3 H 1.663 0.030 2 671 64 64 LYS HE2 H 3.044 0.030 1 672 64 64 LYS HE3 H 3.044 0.030 1 673 64 64 LYS HG2 H 1.449 0.030 2 674 64 64 LYS HG3 H 1.411 0.030 2 675 64 64 LYS C C 175.041 0.300 1 676 64 64 LYS CA C 54.447 0.300 1 677 64 64 LYS CB C 34.213 0.300 1 678 64 64 LYS CD C 28.997 0.300 1 679 64 64 LYS CE C 42.361 0.300 1 680 64 64 LYS CG C 24.521 0.300 1 681 64 64 LYS N N 121.315 0.300 1 682 65 65 ILE H H 8.553 0.030 1 683 65 65 ILE HA H 4.244 0.030 1 684 65 65 ILE HB H 1.721 0.030 1 685 65 65 ILE HD1 H 0.859 0.030 1 686 65 65 ILE HG12 H 1.608 0.030 2 687 65 65 ILE HG13 H 0.976 0.030 2 688 65 65 ILE HG2 H 0.907 0.030 1 689 65 65 ILE C C 177.347 0.300 1 690 65 65 ILE CA C 62.178 0.300 1 691 65 65 ILE CB C 38.269 0.300 1 692 65 65 ILE CD1 C 13.236 0.300 1 693 65 65 ILE CG1 C 28.829 0.300 1 694 65 65 ILE CG2 C 17.805 0.300 1 695 65 65 ILE N N 124.129 0.300 1 696 66 66 LEU H H 8.732 0.030 1 697 66 66 LEU HA H 4.504 0.030 1 698 66 66 LEU HB2 H 1.597 0.030 2 699 66 66 LEU HB3 H 1.740 0.030 2 700 66 66 LEU HD1 H 0.819 0.030 1 701 66 66 LEU HD2 H 0.947 0.030 1 702 66 66 LEU HG H 1.831 0.030 1 703 66 66 LEU C C 176.116 0.300 1 704 66 66 LEU CA C 54.221 0.300 1 705 66 66 LEU CB C 43.165 0.300 1 706 66 66 LEU CD1 C 26.082 0.300 2 707 66 66 LEU CD2 C 22.680 0.300 2 708 66 66 LEU CG C 26.811 0.300 1 709 66 66 LEU N N 128.528 0.300 1 710 67 67 ARG H H 8.813 0.030 1 711 67 67 ARG HA H 4.568 0.030 1 712 67 67 ARG HB2 H 1.731 0.030 2 713 67 67 ARG HB3 H 2.020 0.030 2 714 67 67 ARG HD2 H 3.250 0.030 1 715 67 67 ARG HD3 H 3.250 0.030 1 716 67 67 ARG HG2 H 1.718 0.030 1 717 67 67 ARG HG3 H 1.718 0.030 1 718 67 67 ARG C C 177.726 0.300 1 719 67 67 ARG CA C 54.639 0.300 1 720 67 67 ARG CB C 31.157 0.300 1 721 67 67 ARG CD C 43.356 0.300 1 722 67 67 ARG CG C 27.318 0.300 1 723 67 67 ARG N N 122.681 0.300 1 724 68 68 ASP H H 8.647 0.030 1 725 68 68 ASP HA H 4.200 0.030 1 726 68 68 ASP HB2 H 2.460 0.030 2 727 68 68 ASP HB3 H 2.614 0.030 2 728 68 68 ASP C C 177.103 0.300 1 729 68 68 ASP CA C 57.987 0.300 1 730 68 68 ASP CB C 40.927 0.300 1 731 68 68 ASP N N 121.894 0.300 1 732 69 69 GLN H H 8.471 0.030 1 733 69 69 GLN HA H 4.323 0.030 1 734 69 69 GLN HB2 H 2.121 0.030 2 735 69 69 GLN HB3 H 2.171 0.030 2 736 69 69 GLN HE21 H 6.932 0.030 2 737 69 69 GLN HE22 H 7.663 0.030 2 738 69 69 GLN HG2 H 2.458 0.030 2 739 69 69 GLN HG3 H 2.384 0.030 2 740 69 69 GLN C C 177.039 0.300 1 741 69 69 GLN CA C 56.181 0.300 1 742 69 69 GLN CB C 28.512 0.300 1 743 69 69 GLN CG C 33.614 0.300 1 744 69 69 GLN N N 112.614 0.300 1 745 69 69 GLN NE2 N 112.378 0.300 1 746 70 70 ASP H H 8.048 0.030 1 747 70 70 ASP HA H 4.480 0.030 1 748 70 70 ASP HB2 H 2.286 0.030 2 749 70 70 ASP HB3 H 3.121 0.030 2 750 70 70 ASP C C 174.635 0.300 1 751 70 70 ASP CA C 55.621 0.300 1 752 70 70 ASP CB C 41.341 0.300 1 753 70 70 ASP N N 122.671 0.300 1 754 71 71 ILE H H 8.445 0.030 1 755 71 71 ILE HA H 4.444 0.030 1 756 71 71 ILE HB H 1.690 0.030 1 757 71 71 ILE HD1 H 0.843 0.030 1 758 71 71 ILE HG12 H 1.361 0.030 2 759 71 71 ILE HG13 H 1.564 0.030 2 760 71 71 ILE HG2 H 0.999 0.030 1 761 71 71 ILE C C 178.514 0.300 1 762 71 71 ILE CA C 58.794 0.300 1 763 71 71 ILE CB C 38.122 0.300 1 764 71 71 ILE CD1 C 11.396 0.300 1 765 71 71 ILE CG1 C 27.540 0.300 1 766 71 71 ILE CG2 C 17.541 0.300 1 767 71 71 ILE N N 121.096 0.300 1 768 72 72 LEU H H 8.403 0.030 1 769 72 72 LEU HA H 3.585 0.030 1 770 72 72 LEU HB2 H 1.264 0.030 2 771 72 72 LEU HB3 H 1.929 0.030 2 772 72 72 LEU HD1 H 0.456 0.030 1 773 72 72 LEU HD2 H 0.474 0.030 1 774 72 72 LEU HG H 1.672 0.030 1 775 72 72 LEU C C 179.381 0.300 1 776 72 72 LEU CA C 60.263 0.300 1 777 72 72 LEU CB C 39.222 0.300 1 778 72 72 LEU CD1 C 25.520 0.300 2 779 72 72 LEU CD2 C 22.923 0.300 2 780 72 72 LEU CG C 27.054 0.300 1 781 72 72 LEU N N 125.707 0.300 1 782 73 73 SER H H 7.865 0.030 1 783 73 73 SER HA H 4.149 0.030 1 784 73 73 SER HB2 H 3.759 0.030 2 785 73 73 SER HB3 H 3.852 0.030 2 786 73 73 SER C C 178.013 0.300 1 787 73 73 SER CA C 60.807 0.300 1 788 73 73 SER CB C 61.652 0.300 1 789 73 73 SER N N 111.259 0.300 1 790 74 74 GLN H H 6.952 0.030 1 791 74 74 GLN HA H 4.235 0.030 1 792 74 74 GLN HB2 H 2.158 0.030 2 793 74 74 GLN HB3 H 2.321 0.030 2 794 74 74 GLN HE21 H 7.613 0.030 2 795 74 74 GLN HE22 H 6.913 0.030 2 796 74 74 GLN HG2 H 2.441 0.030 1 797 74 74 GLN HG3 H 2.441 0.030 1 798 74 74 GLN C C 177.489 0.300 1 799 74 74 GLN CA C 57.536 0.300 1 800 74 74 GLN CB C 28.269 0.300 1 801 74 74 GLN CG C 33.980 0.300 1 802 74 74 GLN N N 121.908 0.300 1 803 74 74 GLN NE2 N 111.930 0.300 1 804 75 75 ARG H H 7.548 0.030 1 805 75 75 ARG HA H 4.576 0.030 1 806 75 75 ARG HB2 H 1.736 0.030 2 807 75 75 ARG HB3 H 2.156 0.030 2 808 75 75 ARG HD2 H 3.264 0.030 2 809 75 75 ARG HD3 H 3.325 0.030 2 810 75 75 ARG HG2 H 1.640 0.030 2 811 75 75 ARG HG3 H 1.751 0.030 2 812 75 75 ARG C C 175.582 0.300 1 813 75 75 ARG CA C 53.351 0.300 1 814 75 75 ARG CB C 29.969 0.300 1 815 75 75 ARG CD C 41.883 0.300 1 816 75 75 ARG CG C 26.331 0.300 1 817 75 75 ARG N N 116.252 0.300 1 818 76 76 GLY H H 7.507 0.030 1 819 76 76 GLY HA2 H 4.288 0.030 2 820 76 76 GLY HA3 H 3.640 0.030 2 821 76 76 GLY C C 173.135 0.300 1 822 76 76 GLY CA C 45.550 0.300 1 823 76 76 GLY N N 105.533 0.300 1 824 77 77 ILE H H 7.226 0.030 1 825 77 77 ILE HA H 3.324 0.030 1 826 77 77 ILE HB H 1.254 0.030 1 827 77 77 ILE HD1 H 0.312 0.030 1 828 77 77 ILE HG12 H -0.566 0.030 2 829 77 77 ILE HG13 H 0.507 0.030 2 830 77 77 ILE HG2 H 0.365 0.030 1 831 77 77 ILE C C 172.929 0.300 1 832 77 77 ILE CA C 61.983 0.300 1 833 77 77 ILE CB C 35.480 0.300 1 834 77 77 ILE CD1 C 14.420 0.300 1 835 77 77 ILE CG1 C 27.297 0.300 1 836 77 77 ILE CG2 C 18.165 0.300 1 837 77 77 ILE N N 121.124 0.300 1 838 78 78 LEU H H 7.674 0.030 1 839 78 78 LEU HA H 4.447 0.030 1 840 78 78 LEU HB2 H 1.586 0.030 2 841 78 78 LEU HB3 H 1.634 0.030 2 842 78 78 LEU HD1 H 0.796 0.030 1 843 78 78 LEU HD2 H 0.898 0.030 1 844 78 78 LEU C C 176.703 0.300 1 845 78 78 LEU CA C 52.718 0.300 1 846 78 78 LEU CB C 44.547 0.300 1 847 78 78 LEU CD1 C 23.018 0.300 2 848 78 78 LEU CD2 C 25.433 0.300 2 849 78 78 LEU N N 125.704 0.300 1 850 79 79 ASP H H 8.384 0.030 1 851 79 79 ASP HA H 4.560 0.030 1 852 79 79 ASP HB2 H 2.633 0.030 2 853 79 79 ASP C C 177.902 0.300 1 854 79 79 ASP CA C 56.959 0.300 1 855 79 79 ASP CB C 42.101 0.300 1 856 79 79 ASP N N 118.336 0.300 1 857 80 80 GLY H H 9.910 0.030 1 858 80 80 GLY HA2 H 4.294 0.030 2 859 80 80 GLY HA3 H 3.569 0.030 2 860 80 80 GLY C C 175.448 0.300 1 861 80 80 GLY CA C 45.206 0.300 1 862 80 80 GLY N N 115.706 0.300 1 863 81 81 SER H H 8.349 0.030 1 864 81 81 SER HA H 4.578 0.030 1 865 81 81 SER HB2 H 3.978 0.030 2 866 81 81 SER HB3 H 4.117 0.030 2 867 81 81 SER C C 171.589 0.300 1 868 81 81 SER CA C 61.017 0.300 1 869 81 81 SER CB C 64.847 0.300 1 870 81 81 SER N N 118.915 0.300 1 871 82 82 THR H H 8.678 0.030 1 872 82 82 THR HA H 5.371 0.030 1 873 82 82 THR HB H 3.982 0.030 1 874 82 82 THR HG2 H 0.886 0.030 1 875 82 82 THR C C 174.032 0.300 1 876 82 82 THR CA C 62.181 0.300 1 877 82 82 THR CB C 70.865 0.300 1 878 82 82 THR CG2 C 21.231 0.300 1 879 82 82 THR N N 117.874 0.300 1 880 83 83 VAL H H 9.172 0.030 1 881 83 83 VAL HA H 4.783 0.030 1 882 83 83 VAL HB H 1.951 0.030 1 883 83 83 VAL HG1 H 0.903 0.030 1 884 83 83 VAL HG2 H 0.874 0.030 1 885 83 83 VAL C C 173.642 0.300 1 886 83 83 VAL CA C 60.526 0.300 1 887 83 83 VAL CB C 34.998 0.300 1 888 83 83 VAL CG1 C 21.769 0.300 2 889 83 83 VAL CG2 C 22.500 0.300 2 890 83 83 VAL N N 124.872 0.300 1 891 84 84 HIS H H 9.165 0.030 1 892 84 84 HIS HA H 5.204 0.030 1 893 84 84 HIS HB2 H 2.984 0.030 2 894 84 84 HIS HB3 H 3.072 0.030 2 895 84 84 HIS HD2 H 6.987 0.030 1 896 84 84 HIS HE1 H 7.658 0.030 1 897 84 84 HIS C C 174.726 0.300 1 898 84 84 HIS CA C 56.599 0.300 1 899 84 84 HIS CB C 32.867 0.300 1 900 84 84 HIS CD2 C 119.932 0.300 1 901 84 84 HIS CE1 C 138.265 0.300 1 902 84 84 HIS N N 125.478 0.300 1 903 85 85 VAL H H 8.340 0.030 1 904 85 85 VAL HA H 5.253 0.030 1 905 85 85 VAL HB H 1.663 0.030 1 906 85 85 VAL HG1 H 0.737 0.030 1 907 85 85 VAL HG2 H 0.711 0.030 1 908 85 85 VAL C C 174.904 0.300 1 909 85 85 VAL CA C 59.775 0.300 1 910 85 85 VAL CB C 35.224 0.300 1 911 85 85 VAL CG1 C 23.538 0.300 2 912 85 85 VAL CG2 C 22.207 0.300 2 913 85 85 VAL N N 119.859 0.300 1 914 86 86 VAL H H 8.891 0.030 1 915 86 86 VAL HA H 4.266 0.030 1 916 86 86 VAL HB H 1.891 0.030 1 917 86 86 VAL HG1 H 0.862 0.030 1 918 86 86 VAL HG2 H 0.862 0.030 1 919 86 86 VAL C C 174.158 0.300 1 920 86 86 VAL CA C 60.938 0.300 1 921 86 86 VAL CB C 34.985 0.300 1 922 86 86 VAL CG1 C 21.222 0.300 2 923 86 86 VAL CG2 C 20.902 0.300 2 924 86 86 VAL N N 126.998 0.300 1 925 87 87 VAL H H 8.431 0.030 1 926 87 87 VAL HA H 4.404 0.030 1 927 87 87 VAL HB H 1.967 0.030 1 928 87 87 VAL HG1 H 0.850 0.030 1 929 87 87 VAL HG2 H 0.806 0.030 1 930 87 87 VAL C C 176.922 0.300 1 931 87 87 VAL CA C 61.265 0.300 1 932 87 87 VAL CB C 32.200 0.300 1 933 87 87 VAL CG1 C 20.902 0.300 2 934 87 87 VAL CG2 C 20.494 0.300 2 935 87 87 VAL N N 125.362 0.300 1 936 88 88 ARG H H 9.178 0.030 1 937 88 88 ARG HA H 4.345 0.030 1 938 88 88 ARG HB2 H 1.768 0.030 2 939 88 88 ARG HB3 H 1.870 0.030 2 940 88 88 ARG HD2 H 3.130 0.030 1 941 88 88 ARG HD3 H 3.130 0.030 1 942 88 88 ARG HG2 H 1.615 0.030 2 943 88 88 ARG HG3 H 1.674 0.030 2 944 88 88 ARG C C 176.379 0.300 1 945 88 88 ARG CA C 56.442 0.300 1 946 88 88 ARG CB C 31.427 0.300 1 947 88 88 ARG CD C 43.576 0.300 1 948 88 88 ARG CG C 27.297 0.300 1 949 88 88 ARG N N 128.280 0.300 1 950 93 93 PRO HB2 H 2.306 0.030 1 951 93 93 PRO HB3 H 2.306 0.030 1 952 93 93 PRO HD2 H 3.644 0.030 1 953 93 93 PRO HD3 H 3.644 0.030 1 954 93 93 PRO HG2 H 2.020 0.030 1 955 93 93 PRO HG3 H 2.020 0.030 1 956 93 93 PRO CD C 49.808 0.300 1 stop_ save_