data_11253 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Ubiquitin-like Domain from Mouse Hypothetical 1700011N24Rik Protein ; _BMRB_accession_number 11253 _BMRB_flat_file_name bmr11253.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 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 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" 521 "13C chemical shifts" 385 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-17 original author . stop_ _Original_release_date 2011-08-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Ubiquitin-like Domain from Mouse Hypothetical 1700011N24Rik 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 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 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 '1700011N24Rik protein' _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 102 _Mol_residue_sequence ; GSSGSSGMLITVYCVRRDLT EVTFSLQVNPDFELSNFRVL CELESGVPAEEAQIVYMEQL LTDDHCSLGSYGLKDGDMVV LLQKDNVGLRTPGRTPSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 LEU 10 ILE 11 THR 12 VAL 13 TYR 14 CYS 15 VAL 16 ARG 17 ARG 18 ASP 19 LEU 20 THR 21 GLU 22 VAL 23 THR 24 PHE 25 SER 26 LEU 27 GLN 28 VAL 29 ASN 30 PRO 31 ASP 32 PHE 33 GLU 34 LEU 35 SER 36 ASN 37 PHE 38 ARG 39 VAL 40 LEU 41 CYS 42 GLU 43 LEU 44 GLU 45 SER 46 GLY 47 VAL 48 PRO 49 ALA 50 GLU 51 GLU 52 ALA 53 GLN 54 ILE 55 VAL 56 TYR 57 MET 58 GLU 59 GLN 60 LEU 61 LEU 62 THR 63 ASP 64 ASP 65 HIS 66 CYS 67 SER 68 LEU 69 GLY 70 SER 71 TYR 72 GLY 73 LEU 74 LYS 75 ASP 76 GLY 77 ASP 78 MET 79 VAL 80 VAL 81 LEU 82 LEU 83 GLN 84 LYS 85 ASP 86 ASN 87 VAL 88 GLY 89 LEU 90 ARG 91 THR 92 PRO 93 GLY 94 ARG 95 THR 96 PRO 97 SER 98 GLY 99 PRO 100 SER 101 SER 102 GLY 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 1V5O "Solution Structure Of The Ubiquitin-Like Domain From Mouse Hypothetical 1700011n24rik Protein" 100.00 102 100.00 100.00 1.51e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P030414-59 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.17mM Protein U-15N, {13C;} 20mM Phosphate Na {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% {H2O;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.17 mM '[U-13C; U-15N]' 'Phosphate Na' 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 0.860 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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 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 '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 6 6 SER HA H 4.493 0.030 1 2 6 6 SER HB2 H 3.852 0.030 1 3 6 6 SER HB3 H 3.852 0.030 1 4 6 6 SER C C 174.287 0.300 1 5 6 6 SER CA C 58.423 0.300 1 6 6 6 SER CB C 64.012 0.300 1 7 7 7 GLY H H 8.205 0.030 1 8 7 7 GLY HA2 H 4.015 0.030 2 9 7 7 GLY HA3 H 3.840 0.030 2 10 7 7 GLY C C 172.622 0.300 1 11 7 7 GLY CA C 45.201 0.300 1 12 7 7 GLY N N 109.450 0.300 1 13 8 8 MET H H 8.624 0.030 1 14 8 8 MET HA H 4.572 0.030 1 15 8 8 MET HB2 H 1.820 0.030 2 16 8 8 MET HB3 H 1.743 0.030 2 17 8 8 MET HE H 1.527 0.030 1 18 8 8 MET HG2 H 2.284 0.030 2 19 8 8 MET HG3 H 2.160 0.030 2 20 8 8 MET C C 172.491 0.300 1 21 8 8 MET CA C 54.559 0.300 1 22 8 8 MET CB C 35.079 0.300 1 23 8 8 MET CE C 17.770 0.300 1 24 8 8 MET CG C 31.380 0.300 1 25 8 8 MET N N 119.859 0.300 1 26 9 9 LEU H H 9.328 0.030 1 27 9 9 LEU HA H 4.941 0.030 1 28 9 9 LEU HB2 H 1.469 0.030 2 29 9 9 LEU HB3 H 1.834 0.030 2 30 9 9 LEU HD1 H 0.833 0.030 1 31 9 9 LEU HD2 H 0.850 0.030 1 32 9 9 LEU HG H 1.395 0.030 1 33 9 9 LEU C C 176.332 0.300 1 34 9 9 LEU CA C 54.323 0.300 1 35 9 9 LEU CB C 43.197 0.300 1 36 9 9 LEU CD1 C 24.089 0.300 2 37 9 9 LEU CD2 C 25.133 0.300 2 38 9 9 LEU CG C 27.499 0.300 1 39 9 9 LEU N N 126.869 0.300 1 40 10 10 ILE H H 8.926 0.030 1 41 10 10 ILE HA H 4.854 0.030 1 42 10 10 ILE HB H 1.887 0.030 1 43 10 10 ILE HD1 H 0.615 0.030 1 44 10 10 ILE HG12 H 1.367 0.030 2 45 10 10 ILE HG13 H 0.914 0.030 2 46 10 10 ILE HG2 H 0.766 0.030 1 47 10 10 ILE C C 175.506 0.300 1 48 10 10 ILE CA C 57.108 0.300 1 49 10 10 ILE CB C 39.682 0.300 1 50 10 10 ILE CD1 C 11.489 0.300 1 51 10 10 ILE CG1 C 27.535 0.300 1 52 10 10 ILE CG2 C 17.736 0.300 1 53 10 10 ILE N N 127.747 0.300 1 54 11 11 THR H H 8.643 0.030 1 55 11 11 THR HA H 4.577 0.030 1 56 11 11 THR HB H 3.874 0.030 1 57 11 11 THR HG2 H 1.003 0.030 1 58 11 11 THR C C 171.560 0.300 1 59 11 11 THR CA C 62.872 0.300 1 60 11 11 THR CB C 69.848 0.300 1 61 11 11 THR CG2 C 21.763 0.300 1 62 11 11 THR N N 124.155 0.300 1 63 12 12 VAL H H 9.236 0.030 1 64 12 12 VAL HA H 4.454 0.030 1 65 12 12 VAL HB H 0.394 0.030 1 66 12 12 VAL HG1 H 0.515 0.030 1 67 12 12 VAL HG2 H 0.585 0.030 1 68 12 12 VAL C C 173.789 0.300 1 69 12 12 VAL CA C 60.537 0.300 1 70 12 12 VAL CB C 32.168 0.300 1 71 12 12 VAL CG1 C 23.161 0.300 2 72 12 12 VAL CG2 C 20.630 0.300 2 73 12 12 VAL N N 128.067 0.300 1 74 13 13 TYR H H 8.662 0.030 1 75 13 13 TYR HA H 4.959 0.030 1 76 13 13 TYR HB2 H 2.950 0.030 1 77 13 13 TYR HB3 H 2.950 0.030 1 78 13 13 TYR HD1 H 7.099 0.030 1 79 13 13 TYR HD2 H 7.099 0.030 1 80 13 13 TYR HE1 H 6.686 0.030 1 81 13 13 TYR HE2 H 6.686 0.030 1 82 13 13 TYR C C 173.736 0.300 1 83 13 13 TYR CA C 56.039 0.300 1 84 13 13 TYR CB C 39.600 0.300 1 85 13 13 TYR CD1 C 132.881 0.300 1 86 13 13 TYR CD2 C 132.881 0.300 1 87 13 13 TYR CE1 C 118.028 0.300 1 88 13 13 TYR CE2 C 118.028 0.300 1 89 13 13 TYR N N 127.925 0.300 1 90 14 14 CYS H H 9.057 0.030 1 91 14 14 CYS HA H 5.668 0.030 1 92 14 14 CYS HB2 H 2.692 0.030 2 93 14 14 CYS HB3 H 3.101 0.030 2 94 14 14 CYS C C 173.290 0.300 1 95 14 14 CYS CA C 55.944 0.300 1 96 14 14 CYS CB C 28.900 0.300 1 97 14 14 CYS N N 126.234 0.300 1 98 15 15 VAL H H 8.642 0.030 1 99 15 15 VAL HA H 4.463 0.030 1 100 15 15 VAL HB H 1.990 0.030 1 101 15 15 VAL HG1 H 0.722 0.030 1 102 15 15 VAL HG2 H 0.967 0.030 1 103 15 15 VAL CA C 61.713 0.300 1 104 15 15 VAL CB C 33.008 0.300 1 105 15 15 VAL CG1 C 20.416 0.300 2 106 15 15 VAL CG2 C 20.941 0.300 2 107 15 15 VAL N N 124.676 0.300 1 108 16 16 ARG H H 8.898 0.030 1 109 16 16 ARG HA H 4.175 0.030 1 110 16 16 ARG HB2 H 1.661 0.030 2 111 16 16 ARG HB3 H 1.713 0.030 2 112 16 16 ARG HD2 H 3.238 0.030 1 113 16 16 ARG HD3 H 3.238 0.030 1 114 16 16 ARG HE H 7.241 0.030 1 115 16 16 ARG HG2 H 1.588 0.030 1 116 16 16 ARG HG3 H 1.588 0.030 1 117 16 16 ARG CA C 58.751 0.300 1 118 16 16 ARG CB C 30.013 0.300 1 119 16 16 ARG CD C 43.502 0.300 1 120 16 16 ARG CG C 27.250 0.300 1 121 16 16 ARG N N 121.657 0.300 1 122 16 16 ARG NE N 83.824 0.300 1 123 17 17 ARG H H 8.897 0.030 1 124 17 17 ARG HA H 4.401 0.030 1 125 17 17 ARG HB2 H 2.121 0.030 2 126 17 17 ARG HB3 H 1.990 0.030 2 127 17 17 ARG HD2 H 3.185 0.030 2 128 17 17 ARG HD3 H 3.144 0.030 2 129 17 17 ARG HE H 7.011 0.030 1 130 17 17 ARG HG2 H 1.567 0.030 2 131 17 17 ARG HG3 H 1.280 0.030 2 132 17 17 ARG CA C 56.878 0.300 1 133 17 17 ARG CB C 31.172 0.300 1 134 17 17 ARG CD C 43.502 0.300 1 135 17 17 ARG CG C 29.855 0.300 1 136 17 17 ARG N N 121.657 0.300 1 137 17 17 ARG NE N 83.279 0.300 1 138 18 18 ASP H H 7.673 0.030 1 139 18 18 ASP HA H 4.458 0.030 1 140 18 18 ASP HB2 H 2.540 0.030 2 141 18 18 ASP HB3 H 3.114 0.030 2 142 18 18 ASP CA C 53.299 0.300 1 143 18 18 ASP CB C 39.567 0.300 1 144 18 18 ASP N N 116.598 0.300 1 145 19 19 LEU H H 8.119 0.030 1 146 19 19 LEU HA H 3.882 0.030 1 147 19 19 LEU HB2 H 2.302 0.030 2 148 19 19 LEU HB3 H 1.673 0.030 2 149 19 19 LEU HD1 H 0.895 0.030 1 150 19 19 LEU HD2 H 0.945 0.030 1 151 19 19 LEU HG H 1.532 0.030 1 152 19 19 LEU CA C 57.102 0.300 1 153 19 19 LEU CB C 38.356 0.300 1 154 19 19 LEU CD1 C 22.777 0.300 2 155 19 19 LEU CD2 C 25.401 0.300 2 156 19 19 LEU CG C 27.499 0.300 1 157 19 19 LEU N N 112.573 0.300 1 158 20 20 THR H H 8.325 0.030 1 159 20 20 THR HA H 4.371 0.030 1 160 20 20 THR HB H 4.239 0.030 1 161 20 20 THR HG2 H 1.229 0.030 1 162 20 20 THR CA C 62.991 0.300 1 163 20 20 THR CB C 70.632 0.300 1 164 20 20 THR CG2 C 22.065 0.300 1 165 20 20 THR N N 119.225 0.300 1 166 21 21 GLU H H 8.817 0.030 1 167 21 21 GLU HA H 5.611 0.030 1 168 21 21 GLU HB2 H 2.130 0.030 2 169 21 21 GLU HB3 H 1.951 0.030 2 170 21 21 GLU HG2 H 2.346 0.030 1 171 21 21 GLU HG3 H 2.346 0.030 1 172 21 21 GLU CA C 54.281 0.300 1 173 21 21 GLU CB C 33.533 0.300 1 174 21 21 GLU CG C 36.156 0.300 1 175 21 21 GLU N N 120.397 0.300 1 176 22 22 VAL H H 8.808 0.030 1 177 22 22 VAL HA H 4.629 0.030 1 178 22 22 VAL HB H 2.192 0.030 1 179 22 22 VAL HG1 H 1.042 0.030 1 180 22 22 VAL HG2 H 1.091 0.030 1 181 22 22 VAL CA C 61.027 0.300 1 182 22 22 VAL CB C 35.632 0.300 1 183 22 22 VAL CG1 C 20.416 0.300 2 184 22 22 VAL CG2 C 20.941 0.300 2 185 23 23 THR H H 8.434 0.030 1 186 23 23 THR HA H 5.688 0.030 1 187 23 23 THR HB H 3.911 0.030 1 188 23 23 THR HG2 H 1.008 0.030 1 189 23 23 THR C C 173.657 0.300 1 190 23 23 THR CA C 60.715 0.300 1 191 23 23 THR CB C 70.920 0.300 1 192 23 23 THR CG2 C 21.023 0.300 1 193 23 23 THR N N 121.434 0.300 1 194 24 24 PHE H H 8.604 0.030 1 195 24 24 PHE HA H 5.067 0.030 1 196 24 24 PHE HB2 H 3.181 0.030 1 197 24 24 PHE HB3 H 3.181 0.030 1 198 24 24 PHE HD1 H 6.856 0.030 1 199 24 24 PHE HD2 H 6.856 0.030 1 200 24 24 PHE HE1 H 6.941 0.030 1 201 24 24 PHE HE2 H 6.941 0.030 1 202 24 24 PHE HZ H 6.938 0.030 1 203 24 24 PHE C C 172.189 0.300 1 204 24 24 PHE CA C 55.712 0.300 1 205 24 24 PHE CB C 40.354 0.300 1 206 24 24 PHE CD1 C 133.063 0.300 1 207 24 24 PHE CD2 C 133.063 0.300 1 208 24 24 PHE CE1 C 130.041 0.300 1 209 24 24 PHE CE2 C 130.041 0.300 1 210 24 24 PHE CZ C 128.794 0.300 1 211 24 24 PHE N N 123.032 0.300 1 212 25 25 SER H H 8.776 0.030 1 213 25 25 SER HA H 5.621 0.030 1 214 25 25 SER HB2 H 3.755 0.030 2 215 25 25 SER HB3 H 3.671 0.030 2 216 25 25 SER C C 173.029 0.300 1 217 25 25 SER CA C 56.927 0.300 1 218 25 25 SER CB C 65.820 0.300 1 219 25 25 SER N N 114.127 0.300 1 220 26 26 LEU H H 9.147 0.030 1 221 26 26 LEU HA H 4.808 0.030 1 222 26 26 LEU HB2 H 1.642 0.030 2 223 26 26 LEU HB3 H 1.463 0.030 2 224 26 26 LEU HD1 H 0.798 0.030 1 225 26 26 LEU HD2 H 1.018 0.030 1 226 26 26 LEU HG H 1.665 0.030 1 227 26 26 LEU C C 174.510 0.300 1 228 26 26 LEU CA C 53.738 0.300 1 229 26 26 LEU CB C 46.997 0.300 1 230 26 26 LEU CD1 C 28.129 0.300 2 231 26 26 LEU CD2 C 24.537 0.300 2 232 26 26 LEU CG C 26.975 0.300 1 233 26 26 LEU N N 122.492 0.300 1 234 27 27 GLN H H 8.509 0.030 1 235 27 27 GLN HA H 5.037 0.030 1 236 27 27 GLN HB2 H 2.033 0.030 2 237 27 27 GLN HB3 H 1.886 0.030 2 238 27 27 GLN HE21 H 6.773 0.030 2 239 27 27 GLN HE22 H 7.288 0.030 2 240 27 27 GLN HG2 H 2.196 0.030 1 241 27 27 GLN HG3 H 2.196 0.030 1 242 27 27 GLN C C 175.925 0.300 1 243 27 27 GLN CA C 54.888 0.300 1 244 27 27 GLN CB C 28.996 0.300 1 245 27 27 GLN CG C 33.795 0.300 1 246 27 27 GLN N N 122.967 0.300 1 247 27 27 GLN NE2 N 110.687 0.300 1 248 28 28 VAL H H 8.971 0.030 1 249 28 28 VAL HA H 4.563 0.030 1 250 28 28 VAL HB H 1.770 0.030 1 251 28 28 VAL HG1 H 0.823 0.030 1 252 28 28 VAL HG2 H 0.617 0.030 1 253 28 28 VAL C C 173.055 0.300 1 254 28 28 VAL CA C 58.587 0.300 1 255 28 28 VAL CB C 35.408 0.300 1 256 28 28 VAL CG1 C 22.421 0.300 2 257 28 28 VAL CG2 C 19.475 0.300 2 258 28 28 VAL N N 118.491 0.300 1 259 29 29 ASN H H 6.501 0.030 1 260 29 29 ASN HA H 4.964 0.030 1 261 29 29 ASN HB2 H 2.479 0.030 1 262 29 29 ASN HB3 H 2.479 0.030 1 263 29 29 ASN HD21 H 7.013 0.030 2 264 29 29 ASN HD22 H 7.686 0.030 2 265 29 29 ASN C C 174.339 0.300 1 266 29 29 ASN CA C 50.725 0.300 1 267 29 29 ASN CB C 39.566 0.300 1 268 29 29 ASN N N 119.536 0.300 1 269 29 29 ASN ND2 N 113.457 0.300 1 270 30 30 PRO HA H 4.073 0.030 1 271 30 30 PRO HB2 H 2.314 0.030 2 272 30 30 PRO HB3 H 2.022 0.030 2 273 30 30 PRO HD2 H 3.701 0.030 2 274 30 30 PRO HD3 H 3.853 0.030 2 275 30 30 PRO HG2 H 2.074 0.030 2 276 30 30 PRO HG3 H 2.114 0.030 2 277 30 30 PRO C C 176.096 0.300 1 278 30 30 PRO CA C 64.998 0.300 1 279 30 30 PRO CB C 31.959 0.300 1 280 30 30 PRO CD C 51.189 0.300 1 281 30 30 PRO CG C 27.517 0.300 1 282 31 31 ASP H H 8.312 0.030 1 283 31 31 ASP HA H 4.645 0.030 1 284 31 31 ASP HB2 H 2.802 0.030 2 285 31 31 ASP HB3 H 2.708 0.030 2 286 31 31 ASP C C 176.817 0.300 1 287 31 31 ASP CA C 54.724 0.300 1 288 31 31 ASP CB C 40.313 0.300 1 289 31 31 ASP N N 114.014 0.300 1 290 32 32 PHE H H 7.894 0.030 1 291 32 32 PHE HA H 4.645 0.030 1 292 32 32 PHE HB2 H 3.481 0.030 2 293 32 32 PHE HB3 H 3.065 0.030 2 294 32 32 PHE HD1 H 7.296 0.030 1 295 32 32 PHE HD2 H 7.296 0.030 1 296 32 32 PHE HE1 H 7.548 0.030 1 297 32 32 PHE HE2 H 7.548 0.030 1 298 32 32 PHE HZ H 7.479 0.030 1 299 32 32 PHE C C 175.894 0.300 1 300 32 32 PHE CA C 56.861 0.300 1 301 32 32 PHE CB C 39.218 0.300 1 302 32 32 PHE CD1 C 130.158 0.300 1 303 32 32 PHE CD2 C 130.158 0.300 1 304 32 32 PHE CE1 C 132.120 0.300 1 305 32 32 PHE CE2 C 132.120 0.300 1 306 32 32 PHE CZ C 130.391 0.300 1 307 32 32 PHE N N 122.239 0.300 1 308 33 33 GLU H H 8.750 0.030 1 309 33 33 GLU HA H 4.240 0.030 1 310 33 33 GLU HB2 H 2.481 0.030 2 311 33 33 GLU HB3 H 1.930 0.030 2 312 33 33 GLU HG2 H 2.290 0.030 2 313 33 33 GLU HG3 H 2.483 0.030 2 314 33 33 GLU C C 178.481 0.300 1 315 33 33 GLU CA C 56.779 0.300 1 316 33 33 GLU CB C 30.805 0.300 1 317 33 33 GLU CG C 37.219 0.300 1 318 33 33 GLU N N 122.237 0.300 1 319 34 34 LEU H H 8.380 0.030 1 320 34 34 LEU HA H 4.132 0.030 1 321 34 34 LEU HB2 H 2.367 0.030 2 322 34 34 LEU HB3 H 1.681 0.030 2 323 34 34 LEU HD1 H 0.888 0.030 1 324 34 34 LEU HD2 H 0.872 0.030 1 325 34 34 LEU HG H 0.775 0.030 1 326 34 34 LEU C C 178.638 0.300 1 327 34 34 LEU CA C 58.752 0.300 1 328 34 34 LEU CB C 41.596 0.300 1 329 34 34 LEU CD1 C 23.827 0.300 2 330 34 34 LEU CG C 26.464 0.300 1 331 34 34 LEU N N 124.004 0.300 1 332 35 35 SER H H 8.947 0.030 1 333 35 35 SER HA H 3.840 0.030 1 334 35 35 SER HB2 H 3.927 0.030 1 335 35 35 SER HB3 H 3.927 0.030 1 336 35 35 SER C C 176.751 0.300 1 337 35 35 SER CA C 61.827 0.300 1 338 35 35 SER CB C 61.729 0.300 1 339 35 35 SER N N 112.267 0.300 1 340 36 36 ASN H H 6.974 0.030 1 341 36 36 ASN HA H 4.575 0.030 1 342 36 36 ASN HB2 H 2.695 0.030 2 343 36 36 ASN HB3 H 2.550 0.030 2 344 36 36 ASN HD21 H 6.876 0.030 2 345 36 36 ASN HD22 H 7.157 0.030 2 346 36 36 ASN C C 177.629 0.300 1 347 36 36 ASN CA C 55.710 0.300 1 348 36 36 ASN CB C 38.942 0.300 1 349 36 36 ASN N N 119.649 0.300 1 350 36 36 ASN ND2 N 111.881 0.300 1 351 37 37 PHE H H 8.363 0.030 1 352 37 37 PHE HA H 4.348 0.030 1 353 37 37 PHE HB2 H 3.619 0.030 2 354 37 37 PHE HB3 H 3.141 0.030 2 355 37 37 PHE HD1 H 6.960 0.030 3 356 37 37 PHE HD2 H 7.024 0.030 3 357 37 37 PHE HE1 H 6.808 0.030 1 358 37 37 PHE HE2 H 6.808 0.030 1 359 37 37 PHE C C 176.831 0.300 1 360 37 37 PHE CA C 61.773 0.300 1 361 37 37 PHE CB C 40.093 0.300 1 362 37 37 PHE CD1 C 131.059 0.300 1 363 37 37 PHE CD2 C 131.059 0.300 1 364 37 37 PHE CE1 C 129.582 0.300 1 365 37 37 PHE CE2 C 129.582 0.300 1 366 37 37 PHE N N 122.267 0.300 1 367 38 38 ARG H H 8.610 0.030 1 368 38 38 ARG HA H 3.668 0.030 1 369 38 38 ARG HB2 H 2.145 0.030 2 370 38 38 ARG HB3 H 1.860 0.030 2 371 38 38 ARG HD2 H 3.317 0.030 2 372 38 38 ARG HD3 H 3.512 0.030 2 373 38 38 ARG HE H 7.916 0.030 1 374 38 38 ARG HG2 H 1.994 0.030 2 375 38 38 ARG HG3 H 1.476 0.030 2 376 38 38 ARG C C 178.652 0.300 1 377 38 38 ARG CA C 61.090 0.300 1 378 38 38 ARG CB C 30.723 0.300 1 379 38 38 ARG CD C 43.463 0.300 1 380 38 38 ARG CG C 29.073 0.300 1 381 38 38 ARG N N 117.701 0.300 1 382 38 38 ARG NE N 84.949 0.300 1 383 39 39 VAL H H 7.214 0.030 1 384 39 39 VAL HA H 3.705 0.030 1 385 39 39 VAL HB H 2.279 0.030 1 386 39 39 VAL HG1 H 0.972 0.030 1 387 39 39 VAL HG2 H 1.095 0.030 1 388 39 39 VAL C C 178.652 0.300 1 389 39 39 VAL CA C 66.571 0.300 1 390 39 39 VAL CB C 31.627 0.300 1 391 39 39 VAL CG1 C 21.203 0.300 2 392 39 39 VAL CG2 C 22.501 0.300 2 393 39 39 VAL N N 118.943 0.300 1 394 40 40 LEU H H 7.848 0.030 1 395 40 40 LEU HA H 4.092 0.030 1 396 40 40 LEU HB2 H 1.905 0.030 2 397 40 40 LEU HB3 H 1.627 0.030 2 398 40 40 LEU HD1 H 1.052 0.030 1 399 40 40 LEU HD2 H 0.976 0.030 1 400 40 40 LEU HG H 1.917 0.030 1 401 40 40 LEU C C 179.726 0.300 1 402 40 40 LEU CA C 57.930 0.300 1 403 40 40 LEU CB C 42.230 0.300 1 404 40 40 LEU CD1 C 25.705 0.300 2 405 40 40 LEU CD2 C 23.302 0.300 2 406 40 40 LEU CG C 26.761 0.300 1 407 40 40 LEU N N 120.630 0.300 1 408 41 41 CYS H H 7.687 0.030 1 409 41 41 CYS HA H 4.029 0.030 1 410 41 41 CYS HB2 H 3.030 0.030 2 411 41 41 CYS HB3 H 2.425 0.030 2 412 41 41 CYS C C 177.406 0.300 1 413 41 41 CYS CA C 63.519 0.300 1 414 41 41 CYS CB C 28.148 0.300 1 415 41 41 CYS N N 113.354 0.300 1 416 42 42 GLU H H 7.912 0.030 1 417 42 42 GLU HA H 4.041 0.030 1 418 42 42 GLU HB2 H 2.105 0.030 2 419 42 42 GLU HB3 H 2.167 0.030 2 420 42 42 GLU HG2 H 2.158 0.030 2 421 42 42 GLU HG3 H 2.377 0.030 2 422 42 42 GLU C C 178.901 0.300 1 423 42 42 GLU CA C 59.820 0.300 1 424 42 42 GLU CB C 29.901 0.300 1 425 42 42 GLU CG C 36.419 0.300 1 426 42 42 GLU N N 124.935 0.300 1 427 43 43 LEU H H 7.688 0.030 1 428 43 43 LEU HA H 3.934 0.030 1 429 43 43 LEU HB2 H 1.604 0.030 2 430 43 43 LEU HB3 H 1.787 0.030 2 431 43 43 LEU HD1 H 0.864 0.030 1 432 43 43 LEU HD2 H 0.908 0.030 1 433 43 43 LEU HG H 1.682 0.030 1 434 43 43 LEU C C 179.071 0.300 1 435 43 43 LEU CA C 58.176 0.300 1 436 43 43 LEU CB C 41.474 0.300 1 437 43 43 LEU CD1 C 23.827 0.300 2 438 43 43 LEU CD2 C 24.613 0.300 2 439 43 43 LEU CG C 27.024 0.300 1 440 43 43 LEU N N 119.728 0.300 1 441 44 44 GLU H H 7.407 0.030 1 442 44 44 GLU HA H 3.957 0.030 1 443 44 44 GLU HB2 H 0.783 0.030 2 444 44 44 GLU HB3 H 0.440 0.030 2 445 44 44 GLU HG2 H 1.785 0.030 2 446 44 44 GLU HG3 H 1.873 0.030 2 447 44 44 GLU C C 177.799 0.300 1 448 44 44 GLU CA C 56.943 0.300 1 449 44 44 GLU CB C 28.525 0.300 1 450 44 44 GLU CG C 35.243 0.300 1 451 44 44 GLU N N 113.918 0.300 1 452 45 45 SER H H 7.876 0.030 1 453 45 45 SER HA H 4.155 0.030 1 454 45 45 SER HB2 H 3.870 0.030 2 455 45 45 SER HB3 H 4.247 0.030 2 456 45 45 SER C C 175.493 0.300 1 457 45 45 SER CA C 60.088 0.300 1 458 45 45 SER CB C 66.155 0.300 1 459 45 45 SER N N 111.740 0.300 1 460 46 46 GLY H H 8.015 0.030 1 461 46 46 GLY HA2 H 4.126 0.030 2 462 46 46 GLY HA3 H 3.743 0.030 2 463 46 46 GLY C C 173.762 0.300 1 464 46 46 GLY CA C 45.911 0.300 1 465 46 46 GLY N N 111.721 0.300 1 466 47 47 VAL H H 8.323 0.030 1 467 47 47 VAL HA H 4.140 0.030 1 468 47 47 VAL HB H 1.942 0.030 1 469 47 47 VAL HG1 H 0.763 0.030 1 470 47 47 VAL HG2 H 0.644 0.030 1 471 47 47 VAL C C 172.871 0.300 1 472 47 47 VAL CA C 59.484 0.300 1 473 47 47 VAL CB C 32.746 0.300 1 474 47 47 VAL CG1 C 20.679 0.300 2 475 47 47 VAL CG2 C 21.908 0.300 2 476 47 47 VAL N N 124.254 0.300 1 477 48 48 PRO HA H 4.167 0.030 1 478 48 48 PRO HB2 H 2.428 0.030 2 479 48 48 PRO HB3 H 1.617 0.030 2 480 48 48 PRO HD2 H 3.475 0.030 2 481 48 48 PRO HD3 H 4.016 0.030 2 482 48 48 PRO HG2 H 1.990 0.030 2 483 48 48 PRO HG3 H 1.896 0.030 2 484 48 48 PRO C C 178.140 0.300 1 485 48 48 PRO CA C 62.861 0.300 1 486 48 48 PRO CB C 32.761 0.300 1 487 48 48 PRO CD C 51.275 0.300 1 488 48 48 PRO CG C 28.041 0.300 1 489 49 49 ALA H H 9.605 0.030 1 490 49 49 ALA HA H 3.920 0.030 1 491 49 49 ALA HB H 1.364 0.030 1 492 49 49 ALA C C 180.264 0.300 1 493 49 49 ALA CA C 55.792 0.300 1 494 49 49 ALA CB C 19.016 0.300 1 495 49 49 ALA N N 127.914 0.300 1 496 50 50 GLU H H 9.136 0.030 1 497 50 50 GLU HA H 4.197 0.030 1 498 50 50 GLU HB2 H 2.074 0.030 1 499 50 50 GLU HB3 H 2.074 0.030 1 500 50 50 GLU HG2 H 2.299 0.030 2 501 50 50 GLU HG3 H 2.335 0.030 2 502 50 50 GLU C C 177.157 0.300 1 503 50 50 GLU CA C 58.423 0.300 1 504 50 50 GLU CB C 28.914 0.300 1 505 50 50 GLU CG C 36.476 0.300 1 506 50 50 GLU N N 113.534 0.300 1 507 51 51 GLU H H 8.170 0.030 1 508 51 51 GLU HA H 4.381 0.030 1 509 51 51 GLU HB2 H 2.461 0.030 2 510 51 51 GLU HB3 H 1.859 0.030 2 511 51 51 GLU HG2 H 2.233 0.030 2 512 51 51 GLU HG3 H 2.155 0.030 2 513 51 51 GLU C C 174.418 0.300 1 514 51 51 GLU CA C 55.299 0.300 1 515 51 51 GLU CB C 31.134 0.300 1 516 51 51 GLU CG C 36.681 0.300 1 517 51 51 GLU N N 117.279 0.300 1 518 52 52 ALA H H 7.307 0.030 1 519 52 52 ALA HA H 4.531 0.030 1 520 52 52 ALA HB H 1.281 0.030 1 521 52 52 ALA C C 176.305 0.300 1 522 52 52 ALA CA C 51.867 0.300 1 523 52 52 ALA CB C 20.277 0.300 1 524 52 52 ALA N N 122.725 0.300 1 525 53 53 GLN H H 8.669 0.030 1 526 53 53 GLN HA H 4.528 0.030 1 527 53 53 GLN HB2 H 2.058 0.030 2 528 53 53 GLN HB3 H 1.946 0.030 2 529 53 53 GLN HE21 H 6.820 0.030 2 530 53 53 GLN HE22 H 7.213 0.030 2 531 53 53 GLN HG2 H 2.184 0.030 1 532 53 53 GLN HG3 H 2.184 0.030 1 533 53 53 GLN C C 174.077 0.300 1 534 53 53 GLN CA C 54.477 0.300 1 535 53 53 GLN CB C 30.805 0.300 1 536 53 53 GLN CG C 34.586 0.300 1 537 53 53 GLN N N 123.114 0.300 1 538 53 53 GLN NE2 N 112.021 0.300 1 539 54 54 ILE H H 8.994 0.030 1 540 54 54 ILE HA H 4.994 0.030 1 541 54 54 ILE HB H 1.929 0.030 1 542 54 54 ILE HD1 H 0.869 0.030 1 543 54 54 ILE HG12 H 1.468 0.030 1 544 54 54 ILE HG13 H 1.468 0.030 1 545 54 54 ILE HG2 H 0.805 0.030 1 546 54 54 ILE C C 174.077 0.300 1 547 54 54 ILE CA C 59.162 0.300 1 548 54 54 ILE CB C 37.463 0.300 1 549 54 54 ILE CD1 C 11.325 0.300 1 550 54 54 ILE CG1 C 27.762 0.300 1 551 54 54 ILE CG2 C 17.736 0.300 1 552 54 54 ILE N N 124.744 0.300 1 553 55 55 VAL H H 9.631 0.030 1 554 55 55 VAL HA H 4.738 0.030 1 555 55 55 VAL HB H 1.937 0.030 1 556 55 55 VAL HG1 H 0.672 0.030 1 557 55 55 VAL HG2 H 0.766 0.030 1 558 55 55 VAL C C 175.243 0.300 1 559 55 55 VAL CA C 60.880 0.300 1 560 55 55 VAL CB C 33.715 0.300 1 561 55 55 VAL CG1 C 21.203 0.300 2 562 55 55 VAL CG2 C 20.679 0.300 2 563 55 55 VAL N N 129.235 0.300 1 564 56 56 TYR H H 9.010 0.030 1 565 56 56 TYR HA H 5.216 0.030 1 566 56 56 TYR HB2 H 2.780 0.030 2 567 56 56 TYR HB3 H 2.713 0.030 2 568 56 56 TYR HD1 H 7.200 0.030 1 569 56 56 TYR HD2 H 7.200 0.030 1 570 56 56 TYR HE1 H 6.811 0.030 1 571 56 56 TYR HE2 H 6.811 0.030 1 572 56 56 TYR CA C 55.253 0.300 1 573 56 56 TYR CB C 41.928 0.300 1 574 56 56 TYR CD1 C 132.953 0.300 1 575 56 56 TYR CD2 C 132.953 0.300 1 576 56 56 TYR CE1 C 120.390 0.300 1 577 56 56 TYR CE2 C 120.390 0.300 1 578 56 56 TYR N N 127.295 0.300 1 579 57 57 MET H H 9.342 0.030 1 580 57 57 MET HA H 3.810 0.030 1 581 57 57 MET HB2 H 1.690 0.030 2 582 57 57 MET HB3 H 1.851 0.030 2 583 57 57 MET HE H 1.977 0.030 1 584 57 57 MET HG2 H 1.677 0.030 2 585 57 57 MET HG3 H 1.485 0.030 2 586 57 57 MET CA C 56.446 0.300 1 587 57 57 MET CB C 29.073 0.300 1 588 57 57 MET CE C 16.483 0.300 1 589 57 57 MET CG C 31.172 0.300 1 590 57 57 MET N N 128.196 0.300 1 591 58 58 GLU H H 8.444 0.030 1 592 58 58 GLU HA H 3.584 0.030 1 593 58 58 GLU HB2 H 2.243 0.030 1 594 58 58 GLU HB3 H 2.243 0.030 1 595 58 58 GLU HG2 H 2.160 0.030 2 596 58 58 GLU HG3 H 2.096 0.030 2 597 58 58 GLU C C 175.052 0.300 1 598 58 58 GLU CA C 57.990 0.300 1 599 58 58 GLU CB C 27.761 0.300 1 600 58 58 GLU CG C 36.641 0.300 1 601 58 58 GLU N N 108.195 0.300 1 602 59 59 GLN H H 7.970 0.030 1 603 59 59 GLN HA H 4.598 0.030 1 604 59 59 GLN HB2 H 2.093 0.030 2 605 59 59 GLN HB3 H 2.173 0.030 2 606 59 59 GLN HE21 H 7.501 0.030 2 607 59 59 GLN HE22 H 7.023 0.030 2 608 59 59 GLN HG2 H 2.438 0.030 2 609 59 59 GLN HG3 H 2.340 0.030 2 610 59 59 GLN C C 174.287 0.300 1 611 59 59 GLN CA C 54.066 0.300 1 612 59 59 GLN CB C 30.887 0.300 1 613 59 59 GLN CG C 33.764 0.300 1 614 59 59 GLN N N 120.412 0.300 1 615 59 59 GLN NE2 N 111.881 0.300 1 616 60 60 LEU H H 8.548 0.030 1 617 60 60 LEU HA H 4.506 0.030 1 618 60 60 LEU HB2 H 1.534 0.030 1 619 60 60 LEU HB3 H 1.534 0.030 1 620 60 60 LEU HD1 H 0.889 0.030 1 621 60 60 LEU HD2 H 0.814 0.030 1 622 60 60 LEU HG H 1.468 0.030 1 623 60 60 LEU C C 177.026 0.300 1 624 60 60 LEU CA C 55.331 0.300 1 625 60 60 LEU CB C 42.515 0.300 1 626 60 60 LEU CD1 C 24.613 0.300 2 627 60 60 LEU CD2 C 25.401 0.300 2 628 60 60 LEU CG C 27.499 0.300 1 629 60 60 LEU N N 125.769 0.300 1 630 61 61 LEU H H 8.841 0.030 1 631 61 61 LEU HA H 4.403 0.030 1 632 61 61 LEU HB2 H 1.660 0.030 2 633 61 61 LEU HB3 H 0.740 0.030 2 634 61 61 LEU HD1 H 0.194 0.030 1 635 61 61 LEU HD2 H 0.399 0.030 1 636 61 61 LEU HG H 1.484 0.030 1 637 61 61 LEU C C 177.590 0.300 1 638 61 61 LEU CA C 54.405 0.300 1 639 61 61 LEU CB C 39.929 0.300 1 640 61 61 LEU CD1 C 24.071 0.300 2 641 61 61 LEU CD2 C 20.941 0.300 2 642 61 61 LEU CG C 25.873 0.300 1 643 61 61 LEU N N 126.662 0.300 1 644 62 62 THR H H 8.220 0.030 1 645 62 62 THR HA H 4.524 0.030 1 646 62 62 THR HB H 4.454 0.030 1 647 62 62 THR HG2 H 1.145 0.030 1 648 62 62 THR C C 174.313 0.300 1 649 62 62 THR CA C 62.142 0.300 1 650 62 62 THR CB C 70.569 0.300 1 651 62 62 THR CG2 C 21.681 0.300 1 652 62 62 THR N N 112.404 0.300 1 653 63 63 ASP H H 7.764 0.030 1 654 63 63 ASP HA H 4.997 0.030 1 655 63 63 ASP HB2 H 3.223 0.030 2 656 63 63 ASP HB3 H 2.657 0.030 2 657 63 63 ASP C C 176.843 0.300 1 658 63 63 ASP CA C 53.242 0.300 1 659 63 63 ASP CB C 40.932 0.300 1 660 63 63 ASP N N 121.826 0.300 1 661 64 64 ASP H H 8.671 0.030 1 662 64 64 ASP HA H 4.481 0.030 1 663 64 64 ASP HB2 H 2.360 0.030 1 664 64 64 ASP HB3 H 2.360 0.030 1 665 64 64 ASP C C 176.725 0.300 1 666 64 64 ASP CA C 57.025 0.300 1 667 64 64 ASP CB C 41.737 0.300 1 668 64 64 ASP N N 126.876 0.300 1 669 65 65 HIS H H 8.464 0.030 1 670 65 65 HIS HA H 5.029 0.030 1 671 65 65 HIS HB2 H 3.467 0.030 2 672 65 65 HIS HB3 H 3.176 0.030 2 673 65 65 HIS HD2 H 7.410 0.030 1 674 65 65 HIS C C 173.946 0.300 1 675 65 65 HIS CA C 54.704 0.300 1 676 65 65 HIS CB C 28.409 0.300 1 677 65 65 HIS CD2 C 120.382 0.300 1 678 65 65 HIS N N 113.811 0.300 1 679 66 66 CYS H H 7.393 0.030 1 680 66 66 CYS HA H 4.446 0.030 1 681 66 66 CYS HB2 H 2.837 0.030 2 682 66 66 CYS HB3 H 2.628 0.030 2 683 66 66 CYS C C 173.880 0.300 1 684 66 66 CYS CA C 58.695 0.300 1 685 66 66 CYS CB C 28.269 0.300 1 686 66 66 CYS N N 120.174 0.300 1 687 67 67 SER H H 8.783 0.030 1 688 67 67 SER HA H 5.006 0.030 1 689 67 67 SER HB2 H 4.590 0.030 2 690 67 67 SER HB3 H 3.987 0.030 2 691 67 67 SER C C 176.056 0.300 1 692 67 67 SER CA C 57.061 0.300 1 693 67 67 SER CB C 65.109 0.300 1 694 67 67 SER N N 121.848 0.300 1 695 68 68 LEU H H 8.728 0.030 1 696 68 68 LEU HA H 4.073 0.030 1 697 68 68 LEU HB2 H 1.706 0.030 2 698 68 68 LEU HB3 H 1.129 0.030 2 699 68 68 LEU HD1 H 0.560 0.030 1 700 68 68 LEU HD2 H 0.301 0.030 1 701 68 68 LEU HG H 1.953 0.030 1 702 68 68 LEU C C 180.028 0.300 1 703 68 68 LEU CA C 58.162 0.300 1 704 68 68 LEU CB C 40.882 0.300 1 705 68 68 LEU CD1 C 26.071 0.300 2 706 68 68 LEU CD2 C 20.174 0.300 2 707 68 68 LEU CG C 26.382 0.300 1 708 68 68 LEU N N 119.594 0.300 1 709 69 69 GLY H H 9.674 0.030 1 710 69 69 GLY HA2 H 3.876 0.030 2 711 69 69 GLY HA3 H 3.966 0.030 2 712 69 69 GLY C C 178.468 0.300 1 713 69 69 GLY CA C 46.699 0.300 1 714 69 69 GLY N N 106.029 0.300 1 715 70 70 SER H H 8.210 0.030 1 716 70 70 SER HA H 4.212 0.030 1 717 70 70 SER HB2 H 3.936 0.030 2 718 70 70 SER HB3 H 3.808 0.030 2 719 70 70 SER C C 176.226 0.300 1 720 70 70 SER CA C 61.842 0.300 1 721 70 70 SER CB C 62.934 0.300 1 722 70 70 SER N N 121.170 0.300 1 723 71 71 TYR H H 7.536 0.030 1 724 71 71 TYR HA H 4.575 0.030 1 725 71 71 TYR HB2 H 3.150 0.030 2 726 71 71 TYR HB3 H 2.847 0.030 2 727 71 71 TYR HD1 H 7.201 0.030 1 728 71 71 TYR HD2 H 7.201 0.030 1 729 71 71 TYR HE1 H 6.922 0.030 1 730 71 71 TYR HE2 H 6.922 0.030 1 731 71 71 TYR C C 175.702 0.300 1 732 71 71 TYR CA C 60.368 0.300 1 733 71 71 TYR CB C 39.334 0.300 1 734 71 71 TYR CD1 C 133.401 0.300 1 735 71 71 TYR CD2 C 133.401 0.300 1 736 71 71 TYR CE1 C 118.669 0.300 1 737 71 71 TYR CE2 C 118.669 0.300 1 738 71 71 TYR N N 119.882 0.300 1 739 72 72 GLY H H 7.754 0.030 1 740 72 72 GLY HA2 H 4.433 0.030 2 741 72 72 GLY HA3 H 3.677 0.030 2 742 72 72 GLY C C 173.553 0.300 1 743 72 72 GLY CA C 44.784 0.300 1 744 72 72 GLY N N 105.524 0.300 1 745 73 73 LEU H H 6.840 0.030 1 746 73 73 LEU HA H 4.062 0.030 1 747 73 73 LEU HB2 H 1.038 0.030 1 748 73 73 LEU HB3 H 1.038 0.030 1 749 73 73 LEU HD1 H 0.177 0.030 1 750 73 73 LEU HD2 H 0.075 0.030 1 751 73 73 LEU HG H 0.780 0.030 1 752 73 73 LEU C C 175.519 0.300 1 753 73 73 LEU CA C 57.099 0.300 1 754 73 73 LEU CB C 42.485 0.300 1 755 73 73 LEU CD1 C 25.068 0.300 2 756 73 73 LEU CD2 C 25.215 0.300 2 757 73 73 LEU CG C 29.830 0.300 1 758 73 73 LEU N N 120.225 0.300 1 759 74 74 LYS H H 8.481 0.030 1 760 74 74 LYS HA H 4.619 0.030 1 761 74 74 LYS HB2 H 1.719 0.030 1 762 74 74 LYS HB3 H 1.719 0.030 1 763 74 74 LYS HD2 H 1.696 0.030 1 764 74 74 LYS HD3 H 1.696 0.030 1 765 74 74 LYS HE2 H 3.097 0.030 1 766 74 74 LYS HE3 H 3.097 0.030 1 767 74 74 LYS HG2 H 1.377 0.030 2 768 74 74 LYS HG3 H 1.554 0.030 2 769 74 74 LYS C C 174.719 0.300 1 770 74 74 LYS CA C 54.149 0.300 1 771 74 74 LYS CB C 35.819 0.300 1 772 74 74 LYS CD C 28.750 0.300 1 773 74 74 LYS CE C 42.312 0.300 1 774 74 74 LYS CG C 22.914 0.300 1 775 74 74 LYS N N 119.402 0.300 1 776 75 75 ASP H H 8.215 0.030 1 777 75 75 ASP HA H 4.175 0.030 1 778 75 75 ASP HB2 H 2.601 0.030 2 779 75 75 ASP HB3 H 2.737 0.030 2 780 75 75 ASP C C 177.131 0.300 1 781 75 75 ASP CA C 56.642 0.300 1 782 75 75 ASP CB C 42.269 0.300 1 783 75 75 ASP N N 116.480 0.300 1 784 76 76 GLY H H 9.231 0.030 1 785 76 76 GLY HA2 H 4.386 0.030 2 786 76 76 GLY HA3 H 3.741 0.030 2 787 76 76 GLY C C 174.942 0.300 1 788 76 76 GLY CA C 45.205 0.300 1 789 76 76 GLY N N 115.548 0.300 1 790 77 77 ASP H H 8.119 0.030 1 791 77 77 ASP HA H 4.845 0.030 1 792 77 77 ASP HB2 H 3.091 0.030 2 793 77 77 ASP HB3 H 2.702 0.030 2 794 77 77 ASP C C 174.156 0.300 1 795 77 77 ASP CA C 54.987 0.300 1 796 77 77 ASP CB C 42.977 0.300 1 797 77 77 ASP N N 121.973 0.300 1 798 78 78 MET H H 8.409 0.030 1 799 78 78 MET HA H 5.826 0.030 1 800 78 78 MET HB2 H 2.071 0.030 1 801 78 78 MET HB3 H 2.071 0.030 1 802 78 78 MET HE H 1.978 0.030 1 803 78 78 MET HG2 H 2.461 0.030 1 804 78 78 MET HG3 H 2.461 0.030 1 805 78 78 MET CA C 53.409 0.300 1 806 78 78 MET CB C 36.158 0.300 1 807 78 78 MET CE C 17.152 0.300 1 808 78 78 MET CG C 31.738 0.300 1 809 78 78 MET N N 117.393 0.300 1 810 79 79 VAL H H 8.981 0.030 1 811 79 79 VAL HA H 4.969 0.030 1 812 79 79 VAL HB H 2.146 0.030 1 813 79 79 VAL HG1 H 0.792 0.030 1 814 79 79 VAL HG2 H 0.837 0.030 1 815 79 79 VAL CA C 59.258 0.300 1 816 79 79 VAL CB C 34.997 0.300 1 817 79 79 VAL CG1 C 22.421 0.300 2 818 79 79 VAL CG2 C 20.679 0.300 2 819 79 79 VAL N N 116.924 0.300 1 820 80 80 VAL H H 8.862 0.030 1 821 80 80 VAL HA H 5.133 0.030 1 822 80 80 VAL HB H 1.975 0.030 1 823 80 80 VAL HG1 H 0.980 0.030 1 824 80 80 VAL HG2 H 1.063 0.030 1 825 80 80 VAL C C 173.736 0.300 1 826 80 80 VAL CA C 60.724 0.300 1 827 80 80 VAL CB C 34.275 0.300 1 828 80 80 VAL CG1 C 20.941 0.300 2 829 80 80 VAL CG2 C 22.072 0.300 2 830 80 80 VAL N N 123.084 0.300 1 831 81 81 LEU H H 9.094 0.030 1 832 81 81 LEU HA H 5.308 0.030 1 833 81 81 LEU HB2 H 1.562 0.030 2 834 81 81 LEU HB3 H 1.207 0.030 2 835 81 81 LEU HD1 H 0.893 0.030 1 836 81 81 LEU HD2 H 0.794 0.030 1 837 81 81 LEU HG H 1.454 0.030 1 838 81 81 LEU C C 174.483 0.300 1 839 81 81 LEU CA C 53.621 0.300 1 840 81 81 LEU CB C 45.565 0.300 1 841 81 81 LEU CD1 C 26.691 0.300 2 842 81 81 LEU CD2 C 24.353 0.300 2 843 81 81 LEU CG C 28.811 0.300 1 844 81 81 LEU N N 130.500 0.300 1 845 82 82 LEU H H 9.085 0.030 1 846 82 82 LEU HA H 5.065 0.030 1 847 82 82 LEU HB2 H 1.573 0.030 2 848 82 82 LEU HB3 H 1.478 0.030 2 849 82 82 LEU HD1 H 0.844 0.030 1 850 82 82 LEU HD2 H 0.846 0.030 1 851 82 82 LEU HG H 1.546 0.030 1 852 82 82 LEU C C 176.345 0.300 1 853 82 82 LEU CA C 52.689 0.300 1 854 82 82 LEU CB C 44.623 0.300 1 855 82 82 LEU CD1 C 23.827 0.300 2 856 82 82 LEU CD2 C 25.401 0.300 2 857 82 82 LEU CG C 26.712 0.300 1 858 82 82 LEU N N 125.313 0.300 1 859 83 83 GLN H H 8.205 0.030 1 860 83 83 GLN HA H 4.736 0.030 1 861 83 83 GLN HB2 H 1.733 0.030 2 862 83 83 GLN HB3 H 2.172 0.030 2 863 83 83 GLN HE21 H 7.269 0.030 2 864 83 83 GLN HE22 H 8.117 0.030 2 865 83 83 GLN HG2 H 2.419 0.030 2 866 83 83 GLN HG3 H 2.677 0.030 2 867 83 83 GLN C C 175.676 0.300 1 868 83 83 GLN CA C 55.329 0.300 1 869 83 83 GLN CB C 29.161 0.300 1 870 83 83 GLN CG C 33.795 0.300 1 871 83 83 GLN N N 123.905 0.300 1 872 83 83 GLN NE2 N 113.180 0.300 1 873 84 84 LYS H H 8.977 0.030 1 874 84 84 LYS HA H 4.215 0.030 1 875 84 84 LYS HB2 H 1.826 0.030 2 876 84 84 LYS HB3 H 1.651 0.030 2 877 84 84 LYS HD2 H 1.666 0.030 1 878 84 84 LYS HD3 H 1.666 0.030 1 879 84 84 LYS HE2 H 2.910 0.030 1 880 84 84 LYS HE3 H 2.910 0.030 1 881 84 84 LYS HG2 H 1.375 0.030 1 882 84 84 LYS HG3 H 1.375 0.030 1 883 84 84 LYS C C 175.362 0.300 1 884 84 84 LYS CA C 56.697 0.300 1 885 84 84 LYS CB C 34.412 0.300 1 886 84 84 LYS CD C 29.561 0.300 1 887 84 84 LYS CE C 42.230 0.300 1 888 84 84 LYS CG C 25.140 0.300 1 889 84 84 LYS N N 127.512 0.300 1 890 85 85 ASP H H 8.409 0.030 1 891 85 85 ASP HA H 4.550 0.030 1 892 85 85 ASP HB2 H 2.696 0.030 2 893 85 85 ASP HB3 H 2.648 0.030 2 894 85 85 ASP C C 175.965 0.300 1 895 85 85 ASP CA C 54.286 0.300 1 896 85 85 ASP CB C 41.403 0.300 1 897 85 85 ASP N N 120.582 0.300 1 898 86 86 ASN H H 8.477 0.030 1 899 86 86 ASN HA H 4.715 0.030 1 900 86 86 ASN HB2 H 2.820 0.030 2 901 86 86 ASN HB3 H 2.767 0.030 2 902 86 86 ASN HD21 H 6.846 0.030 2 903 86 86 ASN HD22 H 7.655 0.030 2 904 86 86 ASN C C 175.572 0.300 1 905 86 86 ASN CA C 53.278 0.300 1 906 86 86 ASN CB C 39.042 0.300 1 907 86 86 ASN N N 119.152 0.300 1 908 86 86 ASN ND2 N 112.513 0.300 1 909 87 87 VAL H H 8.159 0.030 1 910 87 87 VAL HA H 4.058 0.030 1 911 87 87 VAL HB H 2.155 0.030 1 912 87 87 VAL HG1 H 0.936 0.030 1 913 87 87 VAL HG2 H 0.938 0.030 1 914 87 87 VAL C C 176.856 0.300 1 915 87 87 VAL CA C 63.109 0.300 1 916 87 87 VAL CB C 32.394 0.300 1 917 87 87 VAL CG1 C 21.203 0.300 2 918 87 87 VAL CG2 C 20.679 0.300 2 919 87 87 VAL N N 119.988 0.300 1 920 88 88 GLY H H 8.478 0.030 1 921 88 88 GLY HA2 H 3.934 0.030 1 922 88 88 GLY HA3 H 3.934 0.030 1 923 88 88 GLY C C 174.155 0.300 1 924 88 88 GLY CA C 45.392 0.300 1 925 88 88 GLY N N 111.266 0.300 1 926 89 89 LEU H H 8.012 0.030 1 927 89 89 LEU HA H 4.330 0.030 1 928 89 89 LEU HB2 H 1.614 0.030 1 929 89 89 LEU HB3 H 1.614 0.030 1 930 89 89 LEU HD1 H 0.924 0.030 1 931 89 89 LEU HD2 H 0.877 0.030 1 932 89 89 LEU HG H 1.910 0.030 1 933 89 89 LEU C C 177.367 0.300 1 934 89 89 LEU CA C 55.299 0.300 1 935 89 89 LEU CB C 42.394 0.300 1 936 89 89 LEU CD1 C 24.876 0.300 2 937 89 89 LEU CG C 26.778 0.300 1 938 89 89 LEU N N 121.407 0.300 1 939 90 90 ARG H H 8.322 0.030 1 940 90 90 ARG HA H 4.419 0.030 1 941 90 90 ARG HB2 H 1.776 0.030 2 942 90 90 ARG HB3 H 1.869 0.030 2 943 90 90 ARG HD2 H 3.202 0.030 1 944 90 90 ARG HD3 H 3.202 0.030 1 945 90 90 ARG HG2 H 1.603 0.030 1 946 90 90 ARG HG3 H 1.603 0.030 1 947 90 90 ARG C C 176.148 0.300 1 948 90 90 ARG CA C 55.875 0.300 1 949 90 90 ARG CB C 30.910 0.300 1 950 90 90 ARG CD C 43.502 0.300 1 951 90 90 ARG CG C 26.975 0.300 1 952 90 90 ARG N N 121.573 0.300 1 953 91 91 THR H H 8.172 0.030 1 954 91 91 THR HA H 4.588 0.030 1 955 91 91 THR HB H 4.163 0.030 1 956 91 91 THR HG2 H 1.246 0.030 1 957 91 91 THR C C 172.923 0.300 1 958 91 91 THR CA C 59.782 0.300 1 959 91 91 THR CB C 69.758 0.300 1 960 91 91 THR CG2 C 21.465 0.300 1 961 91 91 THR N N 117.699 0.300 1 962 92 92 PRO HA H 4.435 0.030 1 963 92 92 PRO HB2 H 2.316 0.030 2 964 92 92 PRO HB3 H 1.963 0.030 2 965 92 92 PRO HD2 H 3.862 0.030 2 966 92 92 PRO HD3 H 3.735 0.030 2 967 92 92 PRO HG2 H 1.980 0.030 2 968 92 92 PRO HG3 H 2.063 0.030 2 969 92 92 PRO C C 177.459 0.300 1 970 92 92 PRO CA C 63.533 0.300 1 971 92 92 PRO CB C 32.129 0.300 1 972 92 92 PRO CD C 51.025 0.300 1 973 92 92 PRO CG C 27.517 0.300 1 974 93 93 GLY H H 8.485 0.030 1 975 93 93 GLY HA2 H 3.934 0.030 1 976 93 93 GLY HA3 H 3.934 0.030 1 977 93 93 GLY C C 173.906 0.300 1 978 93 93 GLY CA C 45.436 0.300 1 979 93 93 GLY N N 109.236 0.300 1 980 94 94 ARG H H 8.159 0.030 1 981 94 94 ARG HA H 4.437 0.030 1 982 94 94 ARG HB2 H 1.756 0.030 2 983 94 94 ARG HB3 H 1.859 0.030 2 984 94 94 ARG HD2 H 3.957 0.030 1 985 94 94 ARG HD3 H 3.957 0.030 1 986 94 94 ARG HG2 H 1.610 0.030 1 987 94 94 ARG HG3 H 1.610 0.030 1 988 94 94 ARG C C 176.319 0.300 1 989 94 94 ARG CA C 55.875 0.300 1 990 94 94 ARG CB C 31.134 0.300 1 991 94 94 ARG CD C 43.463 0.300 1 992 94 94 ARG CG C 26.859 0.300 1 993 94 94 ARG N N 120.492 0.300 1 994 95 95 THR H H 8.352 0.030 1 995 95 95 THR HA H 4.580 0.030 1 996 95 95 THR HB H 4.171 0.030 1 997 95 95 THR HG2 H 1.224 0.030 1 998 95 95 THR C C 172.976 0.300 1 999 95 95 THR CA C 59.934 0.300 1 1000 95 95 THR CB C 69.752 0.300 1 1001 95 95 THR N N 118.517 0.300 1 stop_ save_