data_10058 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the PICOT homology 2 domain of the mouse PKC-interacting cousin of thioredoxin protein ; _BMRB_accession_number 10058 _BMRB_flat_file_name bmr10058.str _Entry_type original _Submission_date 2006-11-29 _Accession_date 2006-11-30 _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 Miyamoto K. . . 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" 602 "13C chemical shifts" 452 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the PICOT homology 2 domain of the mouse PKC-interacting cousin of thioredoxin 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 Miyamoto K. . . 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 'Thioredoxin-like protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Thioredoxin-like protein 2' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PICOT homology 2 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; GSSGSSGLKVLTNKASVMLF MKGNKQEAKCGFSKQILEIL NSTGVEYETFDILEDEEVRQ GLKTFSNWPTYPQLYVRGDL VGGLDIVKELKDNGELLPIL KGESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 LYS 10 VAL 11 LEU 12 THR 13 ASN 14 LYS 15 ALA 16 SER 17 VAL 18 MET 19 LEU 20 PHE 21 MET 22 LYS 23 GLY 24 ASN 25 LYS 26 GLN 27 GLU 28 ALA 29 LYS 30 CYS 31 GLY 32 PHE 33 SER 34 LYS 35 GLN 36 ILE 37 LEU 38 GLU 39 ILE 40 LEU 41 ASN 42 SER 43 THR 44 GLY 45 VAL 46 GLU 47 TYR 48 GLU 49 THR 50 PHE 51 ASP 52 ILE 53 LEU 54 GLU 55 ASP 56 GLU 57 GLU 58 VAL 59 ARG 60 GLN 61 GLY 62 LEU 63 LYS 64 THR 65 PHE 66 SER 67 ASN 68 TRP 69 PRO 70 THR 71 TYR 72 PRO 73 GLN 74 LEU 75 TYR 76 VAL 77 ARG 78 GLY 79 ASP 80 LEU 81 VAL 82 GLY 83 GLY 84 LEU 85 ASP 86 ILE 87 VAL 88 LYS 89 GLU 90 LEU 91 LYS 92 ASP 93 ASN 94 GLY 95 GLU 96 LEU 97 LEU 98 PRO 99 ILE 100 LEU 101 LYS 102 GLY 103 GLU 104 SER 105 GLY 106 PRO 107 SER 108 SER 109 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 1WIK "Solution Structure Of The Picot Homology 2 Domain Of The Mouse Pkc-Interacting Cousin Of Thioredoxin Protein" 100.00 109 100.00 100.00 1.16e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P030421-03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.65 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.8996 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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_ _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 'Thioredoxin-like protein 2' _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 3.868 0.030 1 2 7 7 GLY HA3 H 3.868 0.030 1 3 7 7 GLY C C 176.125 0.300 1 4 7 7 GLY CA C 46.136 0.300 1 5 8 8 LEU H H 7.819 0.030 1 6 8 8 LEU HA H 3.766 0.030 1 7 8 8 LEU HB2 H 0.908 0.030 2 8 8 8 LEU HB3 H 0.386 0.030 2 9 8 8 LEU HG H 1.451 0.030 1 10 8 8 LEU HD1 H 0.535 0.030 1 11 8 8 LEU HD2 H 0.518 0.030 1 12 8 8 LEU C C 178.445 0.300 1 13 8 8 LEU CA C 57.053 0.300 1 14 8 8 LEU CB C 40.063 0.300 1 15 8 8 LEU CG C 26.162 0.300 1 16 8 8 LEU CD1 C 22.956 0.300 2 17 8 8 LEU CD2 C 25.991 0.300 2 18 8 8 LEU N N 121.291 0.300 1 19 9 9 LYS H H 7.921 0.030 1 20 9 9 LYS HA H 3.859 0.030 1 21 9 9 LYS HB2 H 1.896 0.030 1 22 9 9 LYS HB3 H 1.896 0.030 1 23 9 9 LYS HG2 H 1.474 0.030 1 24 9 9 LYS HG3 H 1.474 0.030 1 25 9 9 LYS HD2 H 1.827 0.030 1 26 9 9 LYS HD3 H 1.827 0.030 1 27 9 9 LYS HE2 H 2.991 0.030 1 28 9 9 LYS HE3 H 2.991 0.030 1 29 9 9 LYS C C 178.437 0.300 1 30 9 9 LYS CA C 59.256 0.300 1 31 9 9 LYS CB C 32.139 0.300 1 32 9 9 LYS CG C 25.258 0.300 1 33 9 9 LYS CD C 29.368 0.300 1 34 9 9 LYS CE C 42.275 0.300 1 35 9 9 LYS N N 120.986 0.300 1 36 10 10 VAL H H 7.359 0.030 1 37 10 10 VAL HA H 3.651 0.030 1 38 10 10 VAL HB H 2.001 0.030 1 39 10 10 VAL HG1 H 0.864 0.030 1 40 10 10 VAL HG2 H 0.965 0.030 1 41 10 10 VAL C C 178.949 0.300 1 42 10 10 VAL CA C 65.626 0.300 1 43 10 10 VAL CB C 31.833 0.300 1 44 10 10 VAL CG1 C 21.000 0.300 2 45 10 10 VAL CG2 C 22.106 0.300 2 46 10 10 VAL N N 117.938 0.300 1 47 11 11 LEU H H 7.519 0.030 1 48 11 11 LEU HA H 4.084 0.030 1 49 11 11 LEU HB2 H 1.425 0.030 2 50 11 11 LEU HB3 H 1.554 0.030 2 51 11 11 LEU HG H 1.421 0.030 1 52 11 11 LEU HD1 H 0.463 0.030 1 53 11 11 LEU HD2 H 0.717 0.030 1 54 11 11 LEU C C 178.890 0.300 1 55 11 11 LEU CA C 57.962 0.300 1 56 11 11 LEU CB C 42.490 0.300 1 57 11 11 LEU CG C 26.967 0.300 1 58 11 11 LEU CD1 C 25.700 0.300 2 59 11 11 LEU CD2 C 23.943 0.300 2 60 11 11 LEU N N 120.529 0.300 1 61 12 12 THR H H 7.917 0.030 1 62 12 12 THR HA H 3.704 0.030 1 63 12 12 THR HB H 3.659 0.030 1 64 12 12 THR HG2 H 0.425 0.030 1 65 12 12 THR C C 174.013 0.300 1 66 12 12 THR CA C 64.682 0.300 1 67 12 12 THR CB C 69.507 0.300 1 68 12 12 THR CG2 C 22.709 0.300 1 69 12 12 THR N N 105.595 0.300 1 70 13 13 ASN H H 7.140 0.030 1 71 13 13 ASN HA H 4.756 0.030 1 72 13 13 ASN HB2 H 2.820 0.030 2 73 13 13 ASN HB3 H 2.516 0.030 2 74 13 13 ASN HD21 H 6.953 0.030 2 75 13 13 ASN HD22 H 7.640 0.030 2 76 13 13 ASN C C 175.343 0.300 1 77 13 13 ASN CA C 53.098 0.300 1 78 13 13 ASN CB C 40.627 0.300 1 79 13 13 ASN N N 116.262 0.300 1 80 13 13 ASN ND2 N 113.710 0.300 1 81 14 14 LYS H H 7.488 0.030 1 82 14 14 LYS HA H 3.904 0.030 1 83 14 14 LYS HB2 H 1.989 0.030 2 84 14 14 LYS HB3 H 2.124 0.030 2 85 14 14 LYS HG2 H 1.474 0.030 1 86 14 14 LYS HG3 H 1.474 0.030 1 87 14 14 LYS HD2 H 1.473 0.030 2 88 14 14 LYS HD3 H 1.628 0.030 2 89 14 14 LYS HE2 H 3.004 0.030 1 90 14 14 LYS HE3 H 3.004 0.030 1 91 14 14 LYS C C 175.226 0.300 1 92 14 14 LYS CA C 59.429 0.300 1 93 14 14 LYS CB C 32.940 0.300 1 94 14 14 LYS CG C 24.871 0.300 1 95 14 14 LYS CD C 29.615 0.300 1 96 14 14 LYS CE C 42.193 0.300 1 97 14 14 LYS N N 122.053 0.300 1 98 15 15 ALA H H 7.170 0.030 1 99 15 15 ALA HA H 4.575 0.030 1 100 15 15 ALA HB H 1.321 0.030 1 101 15 15 ALA CA C 49.838 0.300 1 102 15 15 ALA CB C 23.127 0.300 1 103 15 15 ALA N N 117.078 0.300 1 104 16 16 SER H H 8.737 0.030 1 105 16 16 SER HA H 4.785 0.030 1 106 16 16 SER HB2 H 4.035 0.030 1 107 16 16 SER HB3 H 4.035 0.030 1 108 16 16 SER C C 173.774 0.300 1 109 16 16 SER CA C 63.023 0.300 1 110 16 16 SER CB C 63.093 0.300 1 111 16 16 SER N N 116.089 0.300 1 112 17 17 VAL H H 7.905 0.030 1 113 17 17 VAL HA H 4.819 0.030 1 114 17 17 VAL HB H 2.380 0.030 1 115 17 17 VAL HG1 H 0.878 0.030 1 116 17 17 VAL HG2 H 1.055 0.030 1 117 17 17 VAL C C 174.014 0.300 1 118 17 17 VAL CA C 62.432 0.300 1 119 17 17 VAL CB C 33.192 0.300 1 120 17 17 VAL CG1 C 23.765 0.300 2 121 17 17 VAL CG2 C 21.277 0.300 2 122 17 17 VAL N N 119.920 0.300 1 123 18 18 MET H H 9.048 0.030 1 124 18 18 MET HA H 5.262 0.030 1 125 18 18 MET HB2 H 1.798 0.030 2 126 18 18 MET HB3 H 1.962 0.030 2 127 18 18 MET HG2 H 2.392 0.030 2 128 18 18 MET HG3 H 2.171 0.030 2 129 18 18 MET HE H 1.653 0.030 1 130 18 18 MET C C 173.644 0.300 1 131 18 18 MET CA C 53.187 0.300 1 132 18 18 MET CB C 36.206 0.300 1 133 18 18 MET CG C 32.657 0.300 1 134 18 18 MET CE C 16.724 0.300 1 135 18 18 MET N N 126.320 0.300 1 136 19 19 LEU H H 9.054 0.030 1 137 19 19 LEU HA H 5.320 0.030 1 138 19 19 LEU HB2 H 2.037 0.030 2 139 19 19 LEU HB3 H 1.052 0.030 2 140 19 19 LEU HG H 0.917 0.030 1 141 19 19 LEU HD1 H 0.937 0.030 1 142 19 19 LEU HD2 H 0.843 0.030 1 143 19 19 LEU C C 174.294 0.300 1 144 19 19 LEU CA C 53.202 0.300 1 145 19 19 LEU CB C 44.832 0.300 1 146 19 19 LEU CG C 27.812 0.300 1 147 19 19 LEU CD1 C 24.332 0.300 2 148 19 19 LEU CD2 C 24.318 0.300 2 149 19 19 LEU N N 127.094 0.300 1 150 20 20 PHE H H 9.469 0.030 1 151 20 20 PHE HA H 5.294 0.030 1 152 20 20 PHE HB2 H 3.432 0.030 2 153 20 20 PHE HB3 H 3.024 0.030 2 154 20 20 PHE HD1 H 7.204 0.030 1 155 20 20 PHE HD2 H 7.204 0.030 1 156 20 20 PHE HE1 H 6.398 0.030 1 157 20 20 PHE HE2 H 6.398 0.030 1 158 20 20 PHE HZ H 6.411 0.030 1 159 20 20 PHE C C 175.161 0.300 1 160 20 20 PHE CA C 58.119 0.300 1 161 20 20 PHE CB C 39.777 0.300 1 162 20 20 PHE CD1 C 132.140 0.300 1 163 20 20 PHE CD2 C 132.140 0.300 1 164 20 20 PHE CE1 C 130.481 0.300 1 165 20 20 PHE CE2 C 130.481 0.300 1 166 20 20 PHE CZ C 128.726 0.300 1 167 20 20 PHE N N 127.281 0.300 1 168 21 21 MET H H 9.331 0.030 1 169 21 21 MET HA H 5.072 0.030 1 170 21 21 MET HB2 H 1.762 0.030 2 171 21 21 MET HB3 H 2.084 0.030 2 172 21 21 MET HG2 H 2.212 0.030 2 173 21 21 MET HG3 H 2.270 0.030 2 174 21 21 MET HE H 1.867 0.030 1 175 21 21 MET C C 171.866 0.300 1 176 21 21 MET CA C 54.043 0.300 1 177 21 21 MET CB C 36.759 0.300 1 178 21 21 MET CG C 29.451 0.300 1 179 21 21 MET CE C 17.633 0.300 1 180 21 21 MET N N 120.681 0.300 1 181 22 22 LYS H H 8.032 0.030 1 182 22 22 LYS HA H 4.564 0.030 1 183 22 22 LYS HB2 H 1.509 0.030 2 184 22 22 LYS HB3 H 2.006 0.030 2 185 22 22 LYS HG2 H 1.454 0.030 1 186 22 22 LYS HG3 H 1.454 0.030 1 187 22 22 LYS HE2 H 2.942 0.030 1 188 22 22 LYS HE3 H 2.942 0.030 1 189 22 22 LYS C C 175.342 0.300 1 190 22 22 LYS CA C 56.639 0.300 1 191 22 22 LYS CB C 32.320 0.300 1 192 22 22 LYS CD C 29.368 0.300 1 193 22 22 LYS CE C 42.851 0.300 1 194 22 22 LYS N N 117.481 0.300 1 195 23 23 GLY H H 8.961 0.030 1 196 23 23 GLY HA2 H 4.685 0.030 2 197 23 23 GLY HA3 H 3.655 0.030 2 198 23 23 GLY C C 171.105 0.300 1 199 23 23 GLY CA C 44.556 0.300 1 200 23 23 GLY N N 117.786 0.300 1 201 24 24 ASN H H 7.982 0.030 1 202 24 24 ASN HA H 4.956 0.030 1 203 24 24 ASN HB2 H 3.077 0.030 2 204 24 24 ASN HB3 H 2.729 0.030 2 205 24 24 ASN HD21 H 6.985 0.030 2 206 24 24 ASN HD22 H 7.901 0.030 2 207 24 24 ASN C C 174.294 0.300 1 208 24 24 ASN CA C 52.108 0.300 1 209 24 24 ASN CB C 40.367 0.300 1 210 24 24 ASN N N 117.024 0.300 1 211 24 24 ASN ND2 N 115.818 0.300 1 212 25 25 LYS H H 7.954 0.030 1 213 25 25 LYS HA H 3.918 0.030 1 214 25 25 LYS HB2 H 1.723 0.030 2 215 25 25 LYS HB3 H 1.773 0.030 2 216 25 25 LYS HG2 H 1.377 0.030 2 217 25 25 LYS HG3 H 1.572 0.030 2 218 25 25 LYS HD2 H 1.513 0.030 1 219 25 25 LYS HD3 H 1.513 0.030 1 220 25 25 LYS HE2 H 2.580 0.030 2 221 25 25 LYS HE3 H 2.268 0.030 2 222 25 25 LYS C C 177.992 0.300 1 223 25 25 LYS CA C 59.944 0.300 1 224 25 25 LYS CB C 33.441 0.300 1 225 25 25 LYS CG C 26.491 0.300 1 226 25 25 LYS CD C 30.026 0.300 1 227 25 25 LYS CE C 42.029 0.300 1 228 25 25 LYS N N 113.519 0.300 1 229 26 26 GLN H H 8.060 0.030 1 230 26 26 GLN HA H 4.228 0.030 1 231 26 26 GLN HB2 H 2.056 0.030 2 232 26 26 GLN HB3 H 2.114 0.030 2 233 26 26 GLN HG2 H 2.298 0.030 2 234 26 26 GLN HG3 H 2.350 0.030 2 235 26 26 GLN HE21 H 7.507 0.030 2 236 26 26 GLN HE22 H 6.787 0.030 2 237 26 26 GLN C C 176.115 0.300 1 238 26 26 GLN CA C 57.158 0.300 1 239 26 26 GLN CB C 29.177 0.300 1 240 26 26 GLN CG C 34.824 0.300 1 241 26 26 GLN N N 115.043 0.300 1 242 26 26 GLN NE2 N 112.070 0.300 1 243 27 27 GLU H H 7.663 0.030 1 244 27 27 GLU HA H 4.266 0.030 1 245 27 27 GLU HB2 H 1.842 0.030 1 246 27 27 GLU HB3 H 1.842 0.030 1 247 27 27 GLU HG2 H 1.891 0.030 2 248 27 27 GLU HG3 H 2.114 0.030 2 249 27 27 GLU C C 174.047 0.300 1 250 27 27 GLU CA C 56.160 0.300 1 251 27 27 GLU CB C 30.676 0.300 1 252 27 27 GLU CG C 36.027 0.300 1 253 27 27 GLU N N 121.748 0.300 1 254 28 28 ALA H H 8.910 0.030 1 255 28 28 ALA HA H 4.601 0.030 1 256 28 28 ALA HB H 1.363 0.030 1 257 28 28 ALA C C 178.777 0.300 1 258 28 28 ALA CA C 49.730 0.300 1 259 28 28 ALA CB C 19.433 0.300 1 260 28 28 ALA N N 131.195 0.300 1 261 29 29 LYS H H 8.556 0.030 1 262 29 29 LYS HA H 4.497 0.030 1 263 29 29 LYS HB2 H 2.165 0.030 2 264 29 29 LYS HB3 H 1.026 0.030 2 265 29 29 LYS HG2 H 1.230 0.030 2 266 29 29 LYS HG3 H 1.394 0.030 2 267 29 29 LYS HD2 H 1.478 0.030 2 268 29 29 LYS HD3 H 1.624 0.030 2 269 29 29 LYS HE2 H 2.842 0.030 1 270 29 29 LYS HE3 H 2.842 0.030 1 271 29 29 LYS C C 175.245 0.300 1 272 29 29 LYS CA C 56.146 0.300 1 273 29 29 LYS CB C 33.202 0.300 1 274 29 29 LYS CG C 25.795 0.300 1 275 29 29 LYS CD C 29.615 0.300 1 276 29 29 LYS CE C 42.111 0.300 1 277 29 29 LYS N N 120.224 0.300 1 278 30 30 CYS H H 7.463 0.030 1 279 30 30 CYS HA H 4.773 0.030 1 280 30 30 CYS HB2 H 3.427 0.030 2 281 30 30 CYS HB3 H 2.956 0.030 2 282 30 30 CYS C C 176.634 0.300 1 283 30 30 CYS CA C 59.009 0.300 1 284 30 30 CYS CB C 33.166 0.300 1 285 30 30 CYS N N 116.415 0.300 1 286 31 31 GLY HA2 H 3.923 0.030 1 287 31 31 GLY HA3 H 3.923 0.030 1 288 31 31 GLY CA C 47.264 0.300 1 289 32 32 PHE HA H 4.669 0.030 1 290 32 32 PHE HB2 H 3.467 0.030 2 291 32 32 PHE HB3 H 3.167 0.030 2 292 32 32 PHE HD1 H 7.467 0.030 1 293 32 32 PHE HD2 H 7.467 0.030 1 294 32 32 PHE HE1 H 7.504 0.030 1 295 32 32 PHE HE2 H 7.504 0.030 1 296 32 32 PHE HZ H 7.407 0.030 1 297 32 32 PHE CA C 59.809 0.300 1 298 32 32 PHE CB C 38.281 0.300 1 299 32 32 PHE CD1 C 131.285 0.300 1 300 32 32 PHE CD2 C 131.285 0.300 1 301 32 32 PHE CE1 C 131.980 0.300 1 302 32 32 PHE CE2 C 131.980 0.300 1 303 32 32 PHE CZ C 130.354 0.300 1 304 33 33 SER H H 9.940 0.030 1 305 33 33 SER HA H 4.189 0.030 1 306 33 33 SER HB2 H 3.938 0.030 1 307 33 33 SER HB3 H 3.938 0.030 1 308 33 33 SER C C 174.882 0.300 1 309 33 33 SER CA C 63.576 0.300 1 310 33 33 SER CB C 62.747 0.300 1 311 33 33 SER N N 123.203 0.300 1 312 34 34 LYS H H 8.261 0.030 1 313 34 34 LYS HA H 3.791 0.030 1 314 34 34 LYS HB2 H 1.864 0.030 2 315 34 34 LYS HB3 H 2.056 0.030 2 316 34 34 LYS HG2 H 1.472 0.030 1 317 34 34 LYS HG3 H 1.472 0.030 1 318 34 34 LYS HD2 H 1.493 0.030 2 319 34 34 LYS HD3 H 1.726 0.030 2 320 34 34 LYS HE2 H 2.966 0.030 1 321 34 34 LYS HE3 H 2.966 0.030 1 322 34 34 LYS C C 178.361 0.300 1 323 34 34 LYS CA C 59.962 0.300 1 324 34 34 LYS CB C 32.879 0.300 1 325 34 34 LYS CG C 25.093 0.300 1 326 34 34 LYS CD C 29.104 0.300 1 327 34 34 LYS CE C 42.193 0.300 1 328 34 34 LYS N N 121.596 0.300 1 329 35 35 GLN H H 7.774 0.030 1 330 35 35 GLN HA H 4.135 0.030 1 331 35 35 GLN HB2 H 2.125 0.030 2 332 35 35 GLN HB3 H 2.262 0.030 2 333 35 35 GLN HG2 H 2.333 0.030 2 334 35 35 GLN HG3 H 2.681 0.030 2 335 35 35 GLN HE21 H 6.989 0.030 2 336 35 35 GLN HE22 H 7.153 0.030 2 337 35 35 GLN C C 179.131 0.300 1 338 35 35 GLN CA C 59.298 0.300 1 339 35 35 GLN CB C 30.055 0.300 1 340 35 35 GLN CG C 35.123 0.300 1 341 35 35 GLN N N 116.415 0.300 1 342 35 35 GLN NE2 N 111.297 0.300 1 343 36 36 ILE H H 8.179 0.030 1 344 36 36 ILE HA H 3.899 0.030 1 345 36 36 ILE HB H 1.847 0.030 1 346 36 36 ILE HG12 H 1.219 0.030 2 347 36 36 ILE HG13 H 1.568 0.030 2 348 36 36 ILE HG2 H 1.206 0.030 1 349 36 36 ILE HD1 H 0.681 0.030 1 350 36 36 ILE C C 176.434 0.300 1 351 36 36 ILE CA C 65.755 0.300 1 352 36 36 ILE CB C 38.143 0.300 1 353 36 36 ILE CG1 C 31.177 0.300 1 354 36 36 ILE CG2 C 18.599 0.300 1 355 36 36 ILE CD1 C 13.535 0.300 1 356 36 36 ILE N N 119.005 0.300 1 357 37 37 LEU H H 7.796 0.030 1 358 37 37 LEU HA H 3.873 0.030 1 359 37 37 LEU HB2 H 2.017 0.030 2 360 37 37 LEU HB3 H 1.535 0.030 2 361 37 37 LEU HG H 1.903 0.030 1 362 37 37 LEU HD1 H 0.973 0.030 1 363 37 37 LEU HD2 H 0.934 0.030 1 364 37 37 LEU C C 178.516 0.300 1 365 37 37 LEU CA C 58.168 0.300 1 366 37 37 LEU CB C 42.393 0.300 1 367 37 37 LEU CG C 26.268 0.300 1 368 37 37 LEU CD1 C 24.600 0.300 2 369 37 37 LEU CD2 C 27.082 0.300 2 370 37 37 LEU N N 123.882 0.300 1 371 38 38 GLU H H 7.564 0.030 1 372 38 38 GLU HA H 4.022 0.030 1 373 38 38 GLU HB2 H 2.158 0.030 1 374 38 38 GLU HB3 H 2.158 0.030 1 375 38 38 GLU HG2 H 2.288 0.030 2 376 38 38 GLU HG3 H 2.480 0.030 2 377 38 38 GLU C C 180.394 0.300 1 378 38 38 GLU CA C 59.631 0.300 1 379 38 38 GLU CB C 29.571 0.300 1 380 38 38 GLU CG C 36.206 0.300 1 381 38 38 GLU N N 117.481 0.300 1 382 39 39 ILE H H 7.630 0.030 1 383 39 39 ILE HA H 3.682 0.030 1 384 39 39 ILE HB H 1.716 0.030 1 385 39 39 ILE HG12 H 1.921 0.030 2 386 39 39 ILE HG13 H 0.946 0.030 2 387 39 39 ILE HG2 H 0.602 0.030 1 388 39 39 ILE HD1 H 0.747 0.030 1 389 39 39 ILE C C 179.696 0.300 1 390 39 39 ILE CA C 65.278 0.300 1 391 39 39 ILE CB C 38.348 0.300 1 392 39 39 ILE CG1 C 29.032 0.300 1 393 39 39 ILE CG2 C 17.201 0.300 1 394 39 39 ILE CD1 C 14.365 0.300 1 395 39 39 ILE N N 119.158 0.300 1 396 40 40 LEU H H 8.555 0.030 1 397 40 40 LEU HA H 3.749 0.030 1 398 40 40 LEU HB2 H 1.409 0.030 2 399 40 40 LEU HB3 H 0.640 0.030 2 400 40 40 LEU HG H 1.422 0.030 1 401 40 40 LEU HD1 H 0.454 0.030 1 402 40 40 LEU HD2 H 0.240 0.030 1 403 40 40 LEU C C 181.893 0.300 1 404 40 40 LEU CA C 57.770 0.300 1 405 40 40 LEU CB C 40.183 0.300 1 406 40 40 LEU CG C 26.820 0.300 1 407 40 40 LEU CD1 C 22.052 0.300 2 408 40 40 LEU CD2 C 26.082 0.300 2 409 40 40 LEU N N 120.986 0.300 1 410 41 41 ASN H H 9.549 0.030 1 411 41 41 ASN HA H 4.794 0.030 1 412 41 41 ASN HB2 H 3.017 0.030 2 413 41 41 ASN HB3 H 2.971 0.030 2 414 41 41 ASN HD21 H 7.120 0.030 2 415 41 41 ASN HD22 H 7.784 0.030 2 416 41 41 ASN C C 177.914 0.300 1 417 41 41 ASN CA C 55.730 0.300 1 418 41 41 ASN CB C 37.035 0.300 1 419 41 41 ASN N N 122.662 0.300 1 420 41 41 ASN ND2 N 112.483 0.300 1 421 42 42 SER H H 7.720 0.030 1 422 42 42 SER HA H 4.418 0.030 1 423 42 42 SER HB2 H 4.082 0.030 1 424 42 42 SER HB3 H 4.082 0.030 1 425 42 42 SER C C 175.346 0.300 1 426 42 42 SER CA C 60.963 0.300 1 427 42 42 SER CB C 63.573 0.300 1 428 42 42 SER N N 115.500 0.300 1 429 43 43 THR H H 7.468 0.030 1 430 43 43 THR HA H 4.306 0.030 1 431 43 43 THR HB H 4.199 0.030 1 432 43 43 THR HG2 H 1.313 0.030 1 433 43 43 THR C C 176.119 0.300 1 434 43 43 THR CA C 63.605 0.300 1 435 43 43 THR CB C 71.044 0.300 1 436 43 43 THR CG2 C 21.138 0.300 1 437 43 43 THR N N 110.472 0.300 1 438 44 44 GLY H H 7.350 0.030 1 439 44 44 GLY HA2 H 4.168 0.030 2 440 44 44 GLY HA3 H 3.865 0.030 2 441 44 44 GLY C C 173.922 0.300 1 442 44 44 GLY CA C 46.178 0.300 1 443 44 44 GLY N N 108.337 0.300 1 444 45 45 VAL H H 7.660 0.030 1 445 45 45 VAL HA H 4.098 0.030 1 446 45 45 VAL HB H 2.082 0.030 1 447 45 45 VAL HG1 H 0.873 0.030 1 448 45 45 VAL HG2 H 0.962 0.030 1 449 45 45 VAL C C 175.910 0.300 1 450 45 45 VAL CA C 61.943 0.300 1 451 45 45 VAL CB C 32.504 0.300 1 452 45 45 VAL CG1 C 21.147 0.300 2 453 45 45 VAL CG2 C 21.277 0.300 2 454 45 45 VAL N N 119.920 0.300 1 455 46 46 GLU H H 8.559 0.030 1 456 46 46 GLU HA H 4.400 0.030 1 457 46 46 GLU HB2 H 1.974 0.030 1 458 46 46 GLU HB3 H 1.974 0.030 1 459 46 46 GLU HG2 H 2.252 0.030 2 460 46 46 GLU HG3 H 2.332 0.030 2 461 46 46 GLU C C 176.071 0.300 1 462 46 46 GLU CA C 56.998 0.300 1 463 46 46 GLU CB C 30.091 0.300 1 464 46 46 GLU CG C 36.438 0.300 1 465 46 46 GLU N N 126.167 0.300 1 466 47 47 TYR H H 8.120 0.030 1 467 47 47 TYR HA H 5.194 0.030 1 468 47 47 TYR HB2 H 2.624 0.030 2 469 47 47 TYR HB3 H 2.743 0.030 2 470 47 47 TYR HD1 H 6.966 0.030 1 471 47 47 TYR HD2 H 6.966 0.030 1 472 47 47 TYR HE1 H 6.580 0.030 1 473 47 47 TYR HE2 H 6.580 0.030 1 474 47 47 TYR C C 172.746 0.300 1 475 47 47 TYR CA C 56.197 0.300 1 476 47 47 TYR CB C 41.459 0.300 1 477 47 47 TYR CD1 C 133.622 0.300 1 478 47 47 TYR CD2 C 133.622 0.300 1 479 47 47 TYR CE1 C 117.487 0.300 1 480 47 47 TYR CE2 C 117.487 0.300 1 481 47 47 TYR N N 119.310 0.300 1 482 48 48 GLU H H 8.495 0.030 1 483 48 48 GLU HA H 4.756 0.030 1 484 48 48 GLU HB2 H 1.865 0.030 2 485 48 48 GLU HB3 H 2.124 0.030 2 486 48 48 GLU HG2 H 2.148 0.030 2 487 48 48 GLU HG3 H 2.260 0.030 2 488 48 48 GLU C C 174.718 0.300 1 489 48 48 GLU CA C 53.943 0.300 1 490 48 48 GLU CB C 33.567 0.300 1 491 48 48 GLU CG C 36.603 0.300 1 492 48 48 GLU N N 120.986 0.300 1 493 49 49 THR H H 8.357 0.030 1 494 49 49 THR HA H 5.657 0.030 1 495 49 49 THR HB H 4.118 0.030 1 496 49 49 THR HG2 H 1.218 0.030 1 497 49 49 THR C C 173.438 0.300 1 498 49 49 THR CA C 59.655 0.300 1 499 49 49 THR CB C 71.582 0.300 1 500 49 49 THR CG2 C 23.860 0.300 1 501 49 49 THR N N 110.319 0.300 1 502 50 50 PHE H H 8.672 0.030 1 503 50 50 PHE HA H 4.397 0.030 1 504 50 50 PHE HB2 H 2.491 0.030 2 505 50 50 PHE HB3 H 2.237 0.030 2 506 50 50 PHE HD1 H 7.119 0.030 1 507 50 50 PHE HD2 H 7.119 0.030 1 508 50 50 PHE HE1 H 7.274 0.030 1 509 50 50 PHE HE2 H 7.274 0.030 1 510 50 50 PHE HZ H 7.422 0.030 1 511 50 50 PHE C C 173.727 0.300 1 512 50 50 PHE CA C 57.542 0.300 1 513 50 50 PHE CB C 43.729 0.300 1 514 50 50 PHE CD1 C 131.688 0.300 1 515 50 50 PHE CD2 C 131.688 0.300 1 516 50 50 PHE CE1 C 131.688 0.300 1 517 50 50 PHE CE2 C 131.688 0.300 1 518 50 50 PHE CZ C 129.651 0.300 1 519 50 50 PHE N N 123.577 0.300 1 520 51 51 ASP H H 7.552 0.030 1 521 51 51 ASP HA H 5.375 0.030 1 522 51 51 ASP HB2 H 2.426 0.030 2 523 51 51 ASP HB3 H 2.640 0.030 2 524 51 51 ASP C C 178.648 0.300 1 525 51 51 ASP CA C 52.413 0.300 1 526 51 51 ASP CB C 40.906 0.300 1 527 51 51 ASP N N 127.386 0.300 1 528 52 52 ILE H H 9.041 0.030 1 529 52 52 ILE HA H 4.229 0.030 1 530 52 52 ILE HB H 1.769 0.030 1 531 52 52 ILE HG12 H 0.033 0.030 2 532 52 52 ILE HG13 H 0.937 0.030 2 533 52 52 ILE HG2 H 0.990 0.030 1 534 52 52 ILE HD1 H 0.336 0.030 1 535 52 52 ILE C C 177.608 0.300 1 536 52 52 ILE CA C 62.455 0.300 1 537 52 52 ILE CB C 37.742 0.300 1 538 52 52 ILE CG1 C 25.811 0.300 1 539 52 52 ILE CG2 C 22.673 0.300 1 540 52 52 ILE CD1 C 15.209 0.300 1 541 52 52 ILE N N 119.615 0.300 1 542 53 53 LEU H H 8.877 0.030 1 543 53 53 LEU HA H 4.131 0.030 1 544 53 53 LEU HB2 H 2.253 0.030 2 545 53 53 LEU HB3 H 1.466 0.030 2 546 53 53 LEU HG H 1.609 0.030 1 547 53 53 LEU HD1 H 0.999 0.030 1 548 53 53 LEU HD2 H 0.845 0.030 1 549 53 53 LEU C C 178.794 0.300 1 550 53 53 LEU CA C 56.509 0.300 1 551 53 53 LEU CB C 40.633 0.300 1 552 53 53 LEU CG C 27.359 0.300 1 553 53 53 LEU CD1 C 26.253 0.300 2 554 53 53 LEU CD2 C 21.887 0.300 2 555 53 53 LEU N N 119.005 0.300 1 556 54 54 GLU H H 7.118 0.030 1 557 54 54 GLU HA H 4.377 0.030 1 558 54 54 GLU HB2 H 1.766 0.030 2 559 54 54 GLU HB3 H 2.224 0.030 2 560 54 54 GLU HG2 H 1.992 0.030 2 561 54 54 GLU HG3 H 2.197 0.030 2 562 54 54 GLU C C 175.838 0.300 1 563 54 54 GLU CA C 55.650 0.300 1 564 54 54 GLU CB C 30.637 0.300 1 565 54 54 GLU CG C 36.027 0.300 1 566 54 54 GLU N N 113.977 0.300 1 567 55 55 ASP H H 6.726 0.030 1 568 55 55 ASP HA H 4.819 0.030 1 569 55 55 ASP HB2 H 3.112 0.030 2 570 55 55 ASP HB3 H 2.489 0.030 2 571 55 55 ASP C C 174.398 0.300 1 572 55 55 ASP CA C 53.750 0.300 1 573 55 55 ASP CB C 42.953 0.300 1 574 55 55 ASP N N 117.248 0.300 1 575 56 56 GLU H H 8.985 0.030 1 576 56 56 GLU HA H 4.122 0.030 1 577 56 56 GLU HB2 H 2.054 0.030 2 578 56 56 GLU HB3 H 2.114 0.030 2 579 56 56 GLU HG2 H 2.364 0.030 1 580 56 56 GLU HG3 H 2.364 0.030 1 581 56 56 GLU C C 178.259 0.300 1 582 56 56 GLU CA C 59.012 0.300 1 583 56 56 GLU CB C 30.094 0.300 1 584 56 56 GLU CG C 35.698 0.300 1 585 56 56 GLU N N 127.222 0.300 1 586 57 57 GLU H H 8.251 0.030 1 587 57 57 GLU HA H 4.136 0.030 1 588 57 57 GLU HB2 H 2.130 0.030 2 589 57 57 GLU HB3 H 2.223 0.030 2 590 57 57 GLU HG2 H 2.237 0.030 2 591 57 57 GLU HG3 H 2.360 0.030 2 592 57 57 GLU C C 181.112 0.300 1 593 57 57 GLU CA C 59.480 0.300 1 594 57 57 GLU CB C 29.269 0.300 1 595 57 57 GLU CG C 36.767 0.300 1 596 57 57 GLU N N 119.615 0.300 1 597 58 58 VAL H H 8.087 0.030 1 598 58 58 VAL HA H 3.468 0.030 1 599 58 58 VAL HB H 1.922 0.030 1 600 58 58 VAL HG1 H 0.806 0.030 1 601 58 58 VAL HG2 H 0.482 0.030 1 602 58 58 VAL C C 176.612 0.300 1 603 58 58 VAL CA C 66.521 0.300 1 604 58 58 VAL CB C 32.137 0.300 1 605 58 58 VAL CG1 C 22.956 0.300 2 606 58 58 VAL CG2 C 21.487 0.300 2 607 58 58 VAL N N 122.815 0.300 1 608 59 59 ARG H H 8.613 0.030 1 609 59 59 ARG HA H 3.822 0.030 1 610 59 59 ARG HB2 H 2.115 0.030 2 611 59 59 ARG HB3 H 2.450 0.030 2 612 59 59 ARG HG2 H 1.631 0.030 2 613 59 59 ARG HG3 H 1.471 0.030 2 614 59 59 ARG HD2 H 3.216 0.030 1 615 59 59 ARG HD3 H 3.216 0.030 1 616 59 59 ARG C C 180.427 0.300 1 617 59 59 ARG CA C 59.739 0.300 1 618 59 59 ARG CB C 30.796 0.300 1 619 59 59 ARG CG C 27.926 0.300 1 620 59 59 ARG CD C 43.670 0.300 1 621 59 59 ARG N N 119.005 0.300 1 622 60 60 GLN H H 8.320 0.030 1 623 60 60 GLN HA H 4.447 0.030 1 624 60 60 GLN HB2 H 2.138 0.030 2 625 60 60 GLN HB3 H 2.210 0.030 2 626 60 60 GLN HG2 H 2.614 0.030 1 627 60 60 GLN HG3 H 2.614 0.030 1 628 60 60 GLN HE21 H 6.972 0.030 2 629 60 60 GLN HE22 H 7.728 0.030 2 630 60 60 GLN C C 179.120 0.300 1 631 60 60 GLN CA C 57.525 0.300 1 632 60 60 GLN CB C 28.734 0.300 1 633 60 60 GLN CG C 33.165 0.300 1 634 60 60 GLN N N 113.977 0.300 1 635 60 60 GLN NE2 N 112.205 0.300 1 636 61 61 GLY H H 8.384 0.030 1 637 61 61 GLY HA2 H 3.891 0.030 2 638 61 61 GLY HA3 H 3.918 0.030 2 639 61 61 GLY C C 177.071 0.300 1 640 61 61 GLY CA C 47.330 0.300 1 641 61 61 GLY N N 109.405 0.300 1 642 62 62 LEU H H 9.153 0.030 1 643 62 62 LEU HA H 4.167 0.030 1 644 62 62 LEU HB2 H 1.722 0.030 2 645 62 62 LEU HB3 H 1.964 0.030 2 646 62 62 LEU HG H 1.527 0.030 1 647 62 62 LEU HD1 H 0.207 0.030 1 648 62 62 LEU HD2 H 0.054 0.030 1 649 62 62 LEU C C 178.964 0.300 1 650 62 62 LEU CA C 57.826 0.300 1 651 62 62 LEU CB C 40.738 0.300 1 652 62 62 LEU CG C 26.530 0.300 1 653 62 62 LEU CD1 C 24.609 0.300 2 654 62 62 LEU CD2 C 24.056 0.300 2 655 62 62 LEU N N 122.662 0.300 1 656 63 63 LYS H H 6.931 0.030 1 657 63 63 LYS HA H 4.360 0.030 1 658 63 63 LYS HB2 H 1.807 0.030 2 659 63 63 LYS HB3 H 1.995 0.030 2 660 63 63 LYS HG2 H 1.359 0.030 1 661 63 63 LYS HG3 H 1.359 0.030 1 662 63 63 LYS HE2 H 3.054 0.030 1 663 63 63 LYS HE3 H 3.054 0.030 1 664 63 63 LYS C C 179.728 0.300 1 665 63 63 LYS CA C 59.647 0.300 1 666 63 63 LYS CB C 32.826 0.300 1 667 63 63 LYS CG C 25.258 0.300 1 668 63 63 LYS CE C 41.338 0.300 1 669 63 63 LYS N N 116.719 0.300 1 670 64 64 THR H H 7.129 0.030 1 671 64 64 THR HA H 4.218 0.030 1 672 64 64 THR HB H 4.245 0.030 1 673 64 64 THR HG2 H 1.265 0.030 1 674 64 64 THR C C 176.186 0.300 1 675 64 64 THR CA C 64.364 0.300 1 676 64 64 THR CB C 68.852 0.300 1 677 64 64 THR CG2 C 22.106 0.300 1 678 64 64 THR N N 112.148 0.300 1 679 65 65 PHE H H 8.338 0.030 1 680 65 65 PHE HA H 4.291 0.030 1 681 65 65 PHE HB2 H 3.237 0.030 2 682 65 65 PHE HB3 H 3.024 0.030 2 683 65 65 PHE HD1 H 7.235 0.030 1 684 65 65 PHE HD2 H 7.235 0.030 1 685 65 65 PHE HE1 H 7.084 0.030 1 686 65 65 PHE HE2 H 7.084 0.030 1 687 65 65 PHE HZ H 7.159 0.030 1 688 65 65 PHE C C 177.016 0.300 1 689 65 65 PHE CA C 60.884 0.300 1 690 65 65 PHE CB C 41.189 0.300 1 691 65 65 PHE CD1 C 131.863 0.300 1 692 65 65 PHE CD2 C 131.863 0.300 1 693 65 65 PHE CE1 C 129.471 0.300 1 694 65 65 PHE CE2 C 129.471 0.300 1 695 65 65 PHE N N 123.729 0.300 1 696 66 66 SER H H 8.577 0.030 1 697 66 66 SER HA H 4.400 0.030 1 698 66 66 SER HB2 H 4.032 0.030 2 699 66 66 SER HB3 H 4.189 0.030 2 700 66 66 SER C C 173.872 0.300 1 701 66 66 SER CA C 57.904 0.300 1 702 66 66 SER CB C 64.741 0.300 1 703 66 66 SER N N 111.538 0.300 1 704 67 67 ASN H H 7.577 0.030 1 705 67 67 ASN HA H 4.346 0.030 1 706 67 67 ASN HB2 H 3.180 0.030 2 707 67 67 ASN HB3 H 2.663 0.030 2 708 67 67 ASN HD21 H 7.587 0.030 2 709 67 67 ASN HD22 H 6.769 0.030 2 710 67 67 ASN C C 173.163 0.300 1 711 67 67 ASN CA C 54.113 0.300 1 712 67 67 ASN CB C 37.569 0.300 1 713 67 67 ASN N N 118.091 0.300 1 714 67 67 ASN ND2 N 112.483 0.300 1 715 68 68 TRP H H 7.972 0.030 1 716 68 68 TRP HA H 4.938 0.030 1 717 68 68 TRP HB2 H 2.742 0.030 2 718 68 68 TRP HB3 H 3.079 0.030 2 719 68 68 TRP HD1 H 7.527 0.030 1 720 68 68 TRP HE1 H 9.727 0.030 1 721 68 68 TRP HE3 H 7.693 0.030 1 722 68 68 TRP HZ2 H 7.544 0.030 1 723 68 68 TRP HZ3 H 7.135 0.030 1 724 68 68 TRP HH2 H 7.270 0.030 1 725 68 68 TRP C C 175.542 0.300 1 726 68 68 TRP CA C 54.329 0.300 1 727 68 68 TRP CB C 31.180 0.300 1 728 68 68 TRP CD1 C 126.420 0.300 1 729 68 68 TRP CE3 C 121.588 0.300 1 730 68 68 TRP CZ2 C 113.732 0.300 1 731 68 68 TRP CZ3 C 121.666 0.300 1 732 68 68 TRP CH2 C 124.900 0.300 1 733 68 68 TRP N N 120.834 0.300 1 734 68 68 TRP NE1 N 127.908 0.300 1 735 69 69 PRO HA H 4.289 0.030 1 736 69 69 PRO HB2 H 1.953 0.030 1 737 69 69 PRO HB3 H 1.953 0.030 1 738 69 69 PRO HG2 H 1.499 0.030 2 739 69 69 PRO HG3 H 1.725 0.030 2 740 69 69 PRO HD2 H 3.221 0.030 2 741 69 69 PRO HD3 H 2.535 0.030 2 742 69 69 PRO C C 176.115 0.300 1 743 69 69 PRO CA C 64.678 0.300 1 744 69 69 PRO CB C 32.568 0.300 1 745 69 69 PRO CG C 26.400 0.300 1 746 69 69 PRO CD C 50.332 0.300 1 747 70 70 THR H H 6.576 0.030 1 748 70 70 THR HA H 4.698 0.030 1 749 70 70 THR HB H 4.337 0.030 1 750 70 70 THR HG2 H 1.019 0.030 1 751 70 70 THR C C 172.398 0.300 1 752 70 70 THR CA C 59.328 0.300 1 753 70 70 THR CB C 72.762 0.300 1 754 70 70 THR CG2 C 21.568 0.300 1 755 70 70 THR N N 107.119 0.300 1 756 71 71 TYR HA H 4.535 0.030 1 757 71 71 TYR HB2 H 2.557 0.030 2 758 71 71 TYR HB3 H 2.914 0.030 2 759 71 71 TYR HD1 H 7.194 0.030 1 760 71 71 TYR HD2 H 7.194 0.030 1 761 71 71 TYR HE1 H 6.641 0.030 1 762 71 71 TYR HE2 H 6.641 0.030 1 763 71 71 TYR CA C 57.217 0.300 1 764 71 71 TYR CB C 40.076 0.300 1 765 71 71 TYR CD1 C 132.652 0.300 1 766 71 71 TYR CD2 C 132.652 0.300 1 767 71 71 TYR CE1 C 118.040 0.300 1 768 71 71 TYR CE2 C 118.040 0.300 1 769 72 72 PRO HA H 5.489 0.030 1 770 72 72 PRO HB2 H 2.164 0.030 2 771 72 72 PRO HB3 H 2.722 0.030 2 772 72 72 PRO HG2 H 1.916 0.030 2 773 72 72 PRO HG3 H 1.816 0.030 2 774 72 72 PRO HD2 H 3.622 0.030 2 775 72 72 PRO HD3 H 4.092 0.030 2 776 72 72 PRO CA C 62.252 0.300 1 777 72 72 PRO CB C 37.425 0.300 1 778 72 72 PRO CG C 25.093 0.300 1 779 72 72 PRO CD C 51.356 0.300 1 780 73 73 GLN H H 9.184 0.030 1 781 73 73 GLN HA H 4.518 0.030 1 782 73 73 GLN HB2 H 2.013 0.030 2 783 73 73 GLN HB3 H 2.091 0.030 2 784 73 73 GLN HG2 H 2.586 0.030 2 785 73 73 GLN HG3 H 2.099 0.030 2 786 73 73 GLN C C 173.570 0.300 1 787 73 73 GLN CA C 55.745 0.300 1 788 73 73 GLN CB C 33.994 0.300 1 789 73 73 GLN CG C 33.972 0.300 1 790 73 73 GLN N N 117.244 0.300 1 791 74 74 LEU H H 8.507 0.030 1 792 74 74 LEU HA H 5.277 0.030 1 793 74 74 LEU HB2 H 1.715 0.030 2 794 74 74 LEU HB3 H 0.939 0.030 2 795 74 74 LEU HG H 1.309 0.030 1 796 74 74 LEU HD1 H 0.841 0.030 1 797 74 74 LEU HD2 H 0.613 0.030 1 798 74 74 LEU C C 173.506 0.300 1 799 74 74 LEU CA C 53.628 0.300 1 800 74 74 LEU CB C 45.127 0.300 1 801 74 74 LEU CG C 27.650 0.300 1 802 74 74 LEU CD1 C 24.354 0.300 2 803 74 74 LEU CD2 C 26.820 0.300 2 804 74 74 LEU N N 124.643 0.300 1 805 75 75 TYR H H 9.843 0.030 1 806 75 75 TYR HA H 5.082 0.030 1 807 75 75 TYR HB2 H 3.274 0.030 2 808 75 75 TYR HB3 H 2.679 0.030 2 809 75 75 TYR HD1 H 6.973 0.030 1 810 75 75 TYR HD2 H 6.973 0.030 1 811 75 75 TYR HE1 H 6.778 0.030 1 812 75 75 TYR HE2 H 6.778 0.030 1 813 75 75 TYR C C 174.475 0.300 1 814 75 75 TYR CA C 57.260 0.300 1 815 75 75 TYR CB C 41.812 0.300 1 816 75 75 TYR CD1 C 132.228 0.300 1 817 75 75 TYR CD2 C 132.228 0.300 1 818 75 75 TYR CE1 C 118.554 0.300 1 819 75 75 TYR CE2 C 118.554 0.300 1 820 75 75 TYR N N 129.671 0.300 1 821 76 76 VAL H H 8.923 0.030 1 822 76 76 VAL HA H 5.069 0.030 1 823 76 76 VAL HB H 1.770 0.030 1 824 76 76 VAL HG1 H 1.028 0.030 1 825 76 76 VAL HG2 H 0.886 0.030 1 826 76 76 VAL C C 176.285 0.300 1 827 76 76 VAL CA C 60.785 0.300 1 828 76 76 VAL CB C 34.766 0.300 1 829 76 76 VAL CG1 C 21.844 0.300 2 830 76 76 VAL CG2 C 23.226 0.300 2 831 76 76 VAL N N 118.853 0.300 1 832 77 77 ARG H H 10.437 0.030 1 833 77 77 ARG HA H 4.042 0.030 1 834 77 77 ARG HB2 H 1.897 0.030 2 835 77 77 ARG HB3 H 2.030 0.030 2 836 77 77 ARG HG2 H 1.620 0.030 1 837 77 77 ARG HG3 H 1.620 0.030 1 838 77 77 ARG HD2 H 3.227 0.030 2 839 77 77 ARG HD3 H 3.455 0.030 2 840 77 77 ARG C C 176.354 0.300 1 841 77 77 ARG CA C 57.509 0.300 1 842 77 77 ARG CB C 27.837 0.300 1 843 77 77 ARG CG C 28.741 0.300 1 844 77 77 ARG CD C 43.179 0.300 1 845 77 77 ARG N N 128.910 0.300 1 846 78 78 GLY H H 9.349 0.030 1 847 78 78 GLY HA2 H 4.337 0.030 2 848 78 78 GLY HA3 H 3.390 0.030 2 849 78 78 GLY C C 173.532 0.300 1 850 78 78 GLY CA C 45.454 0.300 1 851 78 78 GLY N N 104.071 0.300 1 852 79 79 ASP H H 8.151 0.030 1 853 79 79 ASP HA H 5.143 0.030 1 854 79 79 ASP HB2 H 2.496 0.030 2 855 79 79 ASP HB3 H 2.623 0.030 2 856 79 79 ASP C C 175.191 0.300 1 857 79 79 ASP CA C 52.854 0.300 1 858 79 79 ASP CB C 42.900 0.300 1 859 79 79 ASP N N 121.138 0.300 1 860 80 80 LEU H H 8.631 0.030 1 861 80 80 LEU HA H 3.154 0.030 1 862 80 80 LEU HB2 H 0.980 0.030 2 863 80 80 LEU HB3 H 1.536 0.030 2 864 80 80 LEU HG H 0.498 0.030 1 865 80 80 LEU HD1 H 0.006 0.030 1 866 80 80 LEU HD2 H 0.490 0.030 1 867 80 80 LEU C C 176.807 0.300 1 868 80 80 LEU CA C 55.505 0.300 1 869 80 80 LEU CB C 41.402 0.300 1 870 80 80 LEU CG C 26.820 0.300 1 871 80 80 LEU CD1 C 21.568 0.300 2 872 80 80 LEU CD2 C 26.806 0.300 2 873 80 80 LEU N N 124.643 0.300 1 874 81 81 VAL H H 9.108 0.030 1 875 81 81 VAL HA H 3.806 0.030 1 876 81 81 VAL HB H 1.518 0.030 1 877 81 81 VAL HG1 H 0.803 0.030 1 878 81 81 VAL HG2 H 0.610 0.030 1 879 81 81 VAL C C 175.394 0.300 1 880 81 81 VAL CA C 63.781 0.300 1 881 81 81 VAL CB C 32.705 0.300 1 882 81 81 VAL CG1 C 22.397 0.300 2 883 81 81 VAL CG2 C 20.738 0.300 2 884 81 81 VAL N N 129.060 0.300 1 885 82 82 GLY H H 6.501 0.030 1 886 82 82 GLY HA2 H 3.892 0.030 2 887 82 82 GLY HA3 H 2.181 0.030 2 888 82 82 GLY CA C 43.755 0.300 1 889 82 82 GLY N N 100.934 0.300 1 890 83 83 GLY H H 7.218 0.030 1 891 83 83 GLY HA2 H 4.577 0.030 2 892 83 83 GLY HA3 H 3.839 0.030 2 893 83 83 GLY C C 173.098 0.300 1 894 83 83 GLY CA C 43.268 0.300 1 895 83 83 GLY N N 108.551 0.300 1 896 84 84 LEU H H 8.801 0.030 1 897 84 84 LEU HA H 3.777 0.030 1 898 84 84 LEU HB2 H 1.281 0.030 2 899 84 84 LEU HB3 H 1.795 0.030 2 900 84 84 LEU HG H 1.524 0.030 1 901 84 84 LEU HD1 H 0.999 0.030 1 902 84 84 LEU HD2 H 0.826 0.030 1 903 84 84 LEU C C 176.979 0.300 1 904 84 84 LEU CA C 58.640 0.300 1 905 84 84 LEU CB C 41.735 0.300 1 906 84 84 LEU CG C 27.373 0.300 1 907 84 84 LEU CD1 C 26.253 0.300 2 908 84 84 LEU CD2 C 22.950 0.300 2 909 84 84 LEU N N 119.920 0.300 1 910 85 85 ASP H H 8.236 0.030 1 911 85 85 ASP HA H 4.223 0.030 1 912 85 85 ASP HB2 H 2.663 0.030 1 913 85 85 ASP HB3 H 2.663 0.030 1 914 85 85 ASP C C 179.220 0.300 1 915 85 85 ASP CA C 58.435 0.300 1 916 85 85 ASP CB C 39.800 0.300 1 917 85 85 ASP N N 115.500 0.300 1 918 86 86 ILE H H 7.990 0.030 1 919 86 86 ILE HA H 3.939 0.030 1 920 86 86 ILE HB H 1.654 0.030 1 921 86 86 ILE HG12 H 1.314 0.030 2 922 86 86 ILE HG13 H 1.660 0.030 2 923 86 86 ILE HG2 H 0.831 0.030 1 924 86 86 ILE HD1 H 1.033 0.030 1 925 86 86 ILE C C 177.107 0.300 1 926 86 86 ILE CA C 63.818 0.300 1 927 86 86 ILE CB C 38.189 0.300 1 928 86 86 ILE CG1 C 29.910 0.300 1 929 86 86 ILE CG2 C 17.448 0.300 1 930 86 86 ILE CD1 C 13.535 0.300 1 931 86 86 ILE N N 120.529 0.300 1 932 87 87 VAL H H 7.828 0.030 1 933 87 87 VAL HA H 3.343 0.030 1 934 87 87 VAL HB H 1.991 0.030 1 935 87 87 VAL HG1 H 0.804 0.030 1 936 87 87 VAL HG2 H 0.777 0.030 1 937 87 87 VAL C C 177.283 0.300 1 938 87 87 VAL CA C 67.723 0.300 1 939 87 87 VAL CB C 31.282 0.300 1 940 87 87 VAL CG1 C 21.829 0.300 2 941 87 87 VAL CG2 C 25.147 0.300 2 942 87 87 VAL N N 120.986 0.300 1 943 88 88 LYS H H 8.827 0.030 1 944 88 88 LYS HA H 3.798 0.030 1 945 88 88 LYS HB2 H 1.760 0.030 2 946 88 88 LYS HB3 H 1.942 0.030 2 947 88 88 LYS HG2 H 1.398 0.030 2 948 88 88 LYS HG3 H 1.514 0.030 2 949 88 88 LYS HD2 H 1.700 0.030 1 950 88 88 LYS HD3 H 1.700 0.030 1 951 88 88 LYS HE2 H 2.993 0.030 1 952 88 88 LYS HE3 H 2.993 0.030 1 953 88 88 LYS C C 177.898 0.300 1 954 88 88 LYS CA C 60.258 0.300 1 955 88 88 LYS CB C 32.436 0.300 1 956 88 88 LYS CG C 25.700 0.300 1 957 88 88 LYS CD C 29.309 0.300 1 958 88 88 LYS CE C 41.864 0.300 1 959 88 88 LYS N N 119.158 0.300 1 960 89 89 GLU H H 7.565 0.030 1 961 89 89 GLU HA H 4.040 0.030 1 962 89 89 GLU HB2 H 2.107 0.030 2 963 89 89 GLU HB3 H 2.180 0.030 2 964 89 89 GLU HG2 H 2.200 0.030 2 965 89 89 GLU HG3 H 2.362 0.030 2 966 89 89 GLU C C 179.050 0.300 1 967 89 89 GLU CA C 59.934 0.300 1 968 89 89 GLU CB C 29.294 0.300 1 969 89 89 GLU CG C 35.929 0.300 1 970 89 89 GLU N N 120.529 0.300 1 971 90 90 LEU H H 8.516 0.030 1 972 90 90 LEU HA H 4.168 0.030 1 973 90 90 LEU HB2 H 1.934 0.030 2 974 90 90 LEU HB3 H 0.842 0.030 2 975 90 90 LEU HG H 1.954 0.030 1 976 90 90 LEU HD1 H 0.624 0.030 1 977 90 90 LEU HD2 H 0.801 0.030 1 978 90 90 LEU C C 180.176 0.300 1 979 90 90 LEU CA C 57.204 0.300 1 980 90 90 LEU CB C 42.277 0.300 1 981 90 90 LEU CG C 26.530 0.300 1 982 90 90 LEU CD1 C 26.544 0.300 2 983 90 90 LEU CD2 C 22.673 0.300 2 984 90 90 LEU N N 118.570 0.300 1 985 91 91 LYS H H 8.468 0.030 1 986 91 91 LYS HA H 4.006 0.030 1 987 91 91 LYS HB2 H 2.212 0.030 2 988 91 91 LYS HB3 H 1.721 0.030 2 989 91 91 LYS HG2 H 1.481 0.030 1 990 91 91 LYS HG3 H 1.481 0.030 1 991 91 91 LYS HD2 H 1.498 0.030 2 992 91 91 LYS HD3 H 1.726 0.030 2 993 91 91 LYS HE2 H 2.991 0.030 1 994 91 91 LYS HE3 H 2.991 0.030 1 995 91 91 LYS C C 180.011 0.300 1 996 91 91 LYS CA C 59.096 0.300 1 997 91 91 LYS CB C 31.491 0.300 1 998 91 91 LYS CG C 24.318 0.300 1 999 91 91 LYS CD C 29.018 0.300 1 1000 91 91 LYS CE C 42.111 0.300 1 1001 91 91 LYS N N 122.053 0.300 1 1002 92 92 ASP H H 8.644 0.030 1 1003 92 92 ASP HA H 4.399 0.030 1 1004 92 92 ASP HB2 H 2.667 0.030 2 1005 92 92 ASP HB3 H 2.799 0.030 2 1006 92 92 ASP C C 177.835 0.300 1 1007 92 92 ASP CA C 57.272 0.300 1 1008 92 92 ASP CB C 40.150 0.300 1 1009 92 92 ASP N N 122.053 0.300 1 1010 93 93 ASN H H 8.081 0.030 1 1011 93 93 ASN HA H 4.794 0.030 1 1012 93 93 ASN HB2 H 2.923 0.030 1 1013 93 93 ASN HB3 H 2.923 0.030 1 1014 93 93 ASN HD21 H 6.703 0.030 2 1015 93 93 ASN HD22 H 7.546 0.030 2 1016 93 93 ASN C C 176.241 0.300 1 1017 93 93 ASN CA C 52.961 0.300 1 1018 93 93 ASN CB C 38.762 0.300 1 1019 93 93 ASN N N 115.612 0.300 1 1020 93 93 ASN ND2 N 110.641 0.300 1 1021 94 94 GLY H H 7.824 0.030 1 1022 94 94 GLY HA2 H 4.014 0.030 2 1023 94 94 GLY HA3 H 4.165 0.030 2 1024 94 94 GLY C C 175.290 0.300 1 1025 94 94 GLY CA C 46.711 0.300 1 1026 94 94 GLY N N 108.337 0.300 1 1027 95 95 GLU H H 8.541 0.030 1 1028 95 95 GLU HA H 4.313 0.030 1 1029 95 95 GLU HB2 H 1.887 0.030 2 1030 95 95 GLU HB3 H 2.255 0.030 2 1031 95 95 GLU HG2 H 2.183 0.030 1 1032 95 95 GLU HG3 H 2.183 0.030 1 1033 95 95 GLU C C 176.699 0.300 1 1034 95 95 GLU CA C 56.111 0.300 1 1035 95 95 GLU CB C 32.059 0.300 1 1036 95 95 GLU CG C 36.206 0.300 1 1037 95 95 GLU N N 118.396 0.300 1 1038 96 96 LEU H H 7.406 0.030 1 1039 96 96 LEU HA H 3.965 0.030 1 1040 96 96 LEU HB2 H 1.802 0.030 2 1041 96 96 LEU HB3 H 1.100 0.030 2 1042 96 96 LEU HG H 1.430 0.030 1 1043 96 96 LEU HD1 H 0.802 0.030 1 1044 96 96 LEU HD2 H 0.691 0.030 1 1045 96 96 LEU C C 176.902 0.300 1 1046 96 96 LEU CA C 57.821 0.300 1 1047 96 96 LEU CB C 41.221 0.300 1 1048 96 96 LEU CG C 27.082 0.300 1 1049 96 96 LEU CD1 C 21.829 0.300 2 1050 96 96 LEU CD2 C 27.097 0.300 2 1051 96 96 LEU N N 121.138 0.300 1 1052 97 97 LEU H H 8.841 0.030 1 1053 97 97 LEU HA H 4.099 0.030 1 1054 97 97 LEU HB2 H 1.783 0.030 1 1055 97 97 LEU HB3 H 1.783 0.030 1 1056 97 97 LEU HG H 1.682 0.030 1 1057 97 97 LEU HD1 H 0.952 0.030 1 1058 97 97 LEU HD2 H 0.990 0.030 1 1059 97 97 LEU C C 175.841 0.300 1 1060 97 97 LEU CA C 59.982 0.300 1 1061 97 97 LEU CB C 38.694 0.300 1 1062 97 97 LEU CG C 27.926 0.300 1 1063 97 97 LEU CD1 C 24.594 0.300 2 1064 97 97 LEU CD2 C 24.332 0.300 2 1065 97 97 LEU N N 119.615 0.300 1 1066 98 98 PRO HA H 4.206 0.030 1 1067 98 98 PRO HB2 H 1.833 0.030 2 1068 98 98 PRO HB3 H 2.257 0.030 2 1069 98 98 PRO HG2 H 1.936 0.030 2 1070 98 98 PRO HG3 H 2.156 0.030 2 1071 98 98 PRO HD2 H 3.445 0.030 2 1072 98 98 PRO HD3 H 3.551 0.030 2 1073 98 98 PRO C C 179.735 0.300 1 1074 98 98 PRO CA C 66.402 0.300 1 1075 98 98 PRO CB C 30.944 0.300 1 1076 98 98 PRO CG C 27.889 0.300 1 1077 98 98 PRO CD C 49.510 0.300 1 1078 99 99 ILE H H 7.133 0.030 1 1079 99 99 ILE HA H 3.930 0.030 1 1080 99 99 ILE HB H 2.088 0.030 1 1081 99 99 ILE HG12 H 1.743 0.030 2 1082 99 99 ILE HG13 H 1.184 0.030 2 1083 99 99 ILE HG2 H 0.848 0.030 1 1084 99 99 ILE HD1 H 0.859 0.030 1 1085 99 99 ILE C C 179.028 0.300 1 1086 99 99 ILE CA C 64.372 0.300 1 1087 99 99 ILE CB C 38.137 0.300 1 1088 99 99 ILE CG1 C 29.309 0.300 1 1089 99 99 ILE CG2 C 16.534 0.300 1 1090 99 99 ILE CD1 C 14.089 0.300 1 1091 99 99 ILE N N 117.634 0.300 1 1092 100 100 LEU H H 8.416 0.030 1 1093 100 100 LEU HA H 3.968 0.030 1 1094 100 100 LEU HB2 H 1.432 0.030 2 1095 100 100 LEU HB3 H 2.083 0.030 2 1096 100 100 LEU HG H 1.967 0.030 1 1097 100 100 LEU HD1 H 0.751 0.030 1 1098 100 100 LEU HD2 H 0.819 0.030 1 1099 100 100 LEU C C 178.862 0.300 1 1100 100 100 LEU CA C 58.159 0.300 1 1101 100 100 LEU CB C 42.012 0.300 1 1102 100 100 LEU CG C 26.238 0.300 1 1103 100 100 LEU CD1 C 23.038 0.300 2 1104 100 100 LEU CD2 C 27.373 0.300 2 1105 100 100 LEU N N 119.462 0.300 1 1106 101 101 LYS H H 8.374 0.030 1 1107 101 101 LYS HA H 4.147 0.030 1 1108 101 101 LYS HB2 H 1.923 0.030 2 1109 101 101 LYS HB3 H 1.698 0.030 2 1110 101 101 LYS HG2 H 1.397 0.030 2 1111 101 101 LYS HG3 H 1.578 0.030 2 1112 101 101 LYS HD2 H 1.624 0.030 1 1113 101 101 LYS HD3 H 1.624 0.030 1 1114 101 101 LYS HE2 H 2.906 0.030 1 1115 101 101 LYS HE3 H 2.906 0.030 1 1116 101 101 LYS C C 177.642 0.300 1 1117 101 101 LYS CA C 57.416 0.300 1 1118 101 101 LYS CB C 33.227 0.300 1 1119 101 101 LYS CG C 25.424 0.300 1 1120 101 101 LYS CD C 29.039 0.300 1 1121 101 101 LYS CE C 41.782 0.300 1 1122 101 101 LYS N N 115.043 0.300 1 1123 102 102 GLY H H 7.801 0.030 1 1124 102 102 GLY HA2 H 3.860 0.030 2 1125 102 102 GLY HA3 H 3.965 0.030 2 1126 102 102 GLY C C 174.298 0.300 1 1127 102 102 GLY CA C 45.934 0.300 1 1128 102 102 GLY N N 108.032 0.300 1 1129 103 103 GLU H H 8.323 0.030 1 1130 103 103 GLU HA H 4.340 0.030 1 1131 103 103 GLU HB2 H 1.819 0.030 2 1132 103 103 GLU HB3 H 2.095 0.030 2 1133 103 103 GLU HG2 H 2.149 0.030 2 1134 103 103 GLU HG3 H 2.259 0.030 2 1135 103 103 GLU C C 176.238 0.300 1 1136 103 103 GLU CA C 56.127 0.300 1 1137 103 103 GLU CB C 30.949 0.300 1 1138 103 103 GLU CG C 36.438 0.300 1 1139 103 103 GLU N N 119.615 0.300 1 1140 104 104 SER H H 8.196 0.030 1 1141 104 104 SER HA H 4.419 0.030 1 1142 104 104 SER HB2 H 3.786 0.030 1 1143 104 104 SER HB3 H 3.786 0.030 1 1144 104 104 SER C C 174.370 0.300 1 1145 104 104 SER CA C 58.203 0.300 1 1146 104 104 SER CB C 64.201 0.300 1 1147 104 104 SER N N 115.957 0.300 1 1148 106 106 PRO C C 177.353 0.300 1 1149 106 106 PRO CA C 63.244 0.300 1 1150 106 106 PRO CB C 32.273 0.300 1 1151 107 107 SER H H 8.565 0.030 1 1152 107 107 SER C C 174.728 0.300 1 1153 107 107 SER CA C 58.519 0.300 1 1154 107 107 SER CB C 63.993 0.300 1 1155 107 107 SER N N 116.473 0.300 1 stop_ save_