data_11499 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RNF146 WWE domain ; _BMRB_accession_number 11499 _BMRB_flat_file_name bmr11499.str _Entry_type original _Submission_date 2012-05-08 _Accession_date 2012-05-09 _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 He Fahu . . 2 Muto Yutaka . . 3 Inoue Makoto . . 4 Kigawa Takanori . . 5 Mikako Mikako . . 6 Terada Takaho . . 7 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 644 "13C chemical shifts" 467 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 11472 'The same citation' 11500 'The same citation' 11501 'The same citation' stop_ _Original_release_date 2012-05-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural insight into the interaction of ADP-ribose with the PARP WWE domains. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23010590 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Fahu . . 2 Tsuda Kengo . . 3 Takahashi Mari . . 4 Kuwasako Kanako . . 5 Terada Takano . . 6 Shirouzu Mikako . . 7 Watanabe Satoru . . 8 Kigawa Takanori . . 9 Kobayashi Naohiro . . 10 Guntert Peter . . 11 Yokoyama Shigeyuki . . 12 Muto Yutaka . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 586 _Journal_issue 21 _Journal_ISSN 0014-5793 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3858 _Page_last 3864 _Year 2012 _Details . loop_ _Keyword NMR RNF146 'WWE domain' 'solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name WWE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label WWE $RNF146 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_RNF146 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNF146 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; PSSGSSGFLDKPTLLSPEEL KAASRGNGEYAWYYEGRNGW WQYDERTSRELEDAFSKGKK NTEMLIAGFLYVADLENMVQ YRRNEHGRRRKIKRDIIDIP KKGVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PHE 9 LEU 10 ASP 11 LYS 12 PRO 13 THR 14 LEU 15 LEU 16 SER 17 PRO 18 GLU 19 GLU 20 LEU 21 LYS 22 ALA 23 ALA 24 SER 25 ARG 26 GLY 27 ASN 28 GLY 29 GLU 30 TYR 31 ALA 32 TRP 33 TYR 34 TYR 35 GLU 36 GLY 37 ARG 38 ASN 39 GLY 40 TRP 41 TRP 42 GLN 43 TYR 44 ASP 45 GLU 46 ARG 47 THR 48 SER 49 ARG 50 GLU 51 LEU 52 GLU 53 ASP 54 ALA 55 PHE 56 SER 57 LYS 58 GLY 59 LYS 60 LYS 61 ASN 62 THR 63 GLU 64 MET 65 LEU 66 ILE 67 ALA 68 GLY 69 PHE 70 LEU 71 TYR 72 VAL 73 ALA 74 ASP 75 LEU 76 GLU 77 ASN 78 MET 79 VAL 80 GLN 81 TYR 82 ARG 83 ARG 84 ASN 85 GLU 86 HIS 87 GLY 88 ARG 89 ARG 90 ARG 91 LYS 92 ILE 93 LYS 94 ARG 95 ASP 96 ILE 97 ILE 98 ASP 99 ILE 100 PRO 101 LYS 102 LYS 103 GLY 104 VAL 105 SER 106 GLY 107 PRO 108 SER 109 SER 110 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNF146 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_name $RNF146 'recombinant technology' 'E. coli' Escherichia coli . P-000001 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 $RNF146 1.0 mM '[U-99% 13C; U-99% 15N]' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'N. Kobayashi' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name WWE _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 3 3 SER H H 8.298 0.030 1 2 3 3 SER C C 174.933 0.300 1 3 3 3 SER N N 117.783 0.300 1 4 4 4 GLY H H 8.454 0.030 1 5 4 4 GLY HA2 H 3.981 0.030 2 6 4 4 GLY HA3 H 3.981 0.030 2 7 4 4 GLY C C 174.387 0.300 1 8 4 4 GLY CA C 45.445 0.300 1 9 4 4 GLY N N 110.929 0.300 1 10 5 5 SER H H 8.277 0.030 1 11 5 5 SER HA H 4.519 0.030 1 12 5 5 SER HB2 H 3.896 0.030 2 13 5 5 SER HB3 H 3.896 0.030 2 14 5 5 SER C C 174.855 0.300 1 15 5 5 SER CA C 58.374 0.300 1 16 5 5 SER CB C 63.953 0.300 1 17 5 5 SER N N 115.653 0.300 1 18 6 6 SER H H 8.435 0.030 1 19 6 6 SER HA H 4.486 0.030 1 20 6 6 SER HB2 H 3.879 0.030 2 21 6 6 SER HB3 H 3.879 0.030 2 22 6 6 SER C C 173.918 0.300 1 23 6 6 SER CA C 58.410 0.300 1 24 6 6 SER CB C 64.087 0.300 1 25 6 6 SER N N 117.783 0.300 1 26 7 7 GLY H H 8.357 0.030 1 27 7 7 GLY HA2 H 3.884 0.030 2 28 7 7 GLY HA3 H 3.884 0.030 2 29 7 7 GLY C C 173.866 0.300 1 30 7 7 GLY CA C 45.281 0.300 1 31 7 7 GLY N N 110.533 0.300 1 32 8 8 PHE H H 8.052 0.030 1 33 8 8 PHE HA H 4.590 0.030 1 34 8 8 PHE HB2 H 3.000 0.030 2 35 8 8 PHE HB3 H 3.117 0.030 2 36 8 8 PHE HD1 H 7.213 0.030 3 37 8 8 PHE HD2 H 7.213 0.030 3 38 8 8 PHE C C 175.674 0.300 1 39 8 8 PHE CA C 57.850 0.300 1 40 8 8 PHE CB C 39.538 0.300 1 41 8 8 PHE CD1 C 131.948 0.300 3 42 8 8 PHE CD2 C 131.948 0.300 3 43 8 8 PHE N N 119.867 0.300 1 44 9 9 LEU H H 8.162 0.030 1 45 9 9 LEU HA H 4.296 0.030 1 46 9 9 LEU HB2 H 1.520 0.030 2 47 9 9 LEU HB3 H 1.574 0.030 2 48 9 9 LEU HD1 H 0.882 0.030 2 49 9 9 LEU HD2 H 0.811 0.030 2 50 9 9 LEU HG H 1.499 0.030 1 51 9 9 LEU C C 176.623 0.300 1 52 9 9 LEU CA C 55.041 0.300 1 53 9 9 LEU CB C 42.443 0.300 1 54 9 9 LEU CD1 C 24.961 0.300 2 55 9 9 LEU CD2 C 23.402 0.300 2 56 9 9 LEU CG C 26.888 0.300 1 57 9 9 LEU N N 123.393 0.300 1 58 10 10 ASP H H 8.171 0.030 1 59 10 10 ASP HA H 4.519 0.030 1 60 10 10 ASP HB2 H 2.846 0.030 2 61 10 10 ASP HB3 H 2.757 0.030 2 62 10 10 ASP C C 175.622 0.300 1 63 10 10 ASP CA C 54.281 0.300 1 64 10 10 ASP CB C 40.693 0.300 1 65 10 10 ASP N N 121.050 0.300 1 66 11 11 LYS H H 8.035 0.030 1 67 11 11 LYS HA H 4.592 0.030 1 68 11 11 LYS HB2 H 1.802 0.030 2 69 11 11 LYS HB3 H 1.692 0.030 2 70 11 11 LYS HD2 H 1.669 0.030 2 71 11 11 LYS HD3 H 1.669 0.030 2 72 11 11 LYS HE2 H 2.969 0.030 2 73 11 11 LYS HE3 H 2.969 0.030 2 74 11 11 LYS HG2 H 1.412 0.030 2 75 11 11 LYS HG3 H 1.412 0.030 2 76 11 11 LYS C C 174.285 0.300 1 77 11 11 LYS CA C 54.108 0.300 1 78 11 11 LYS CB C 32.727 0.300 1 79 11 11 LYS CD C 29.041 0.300 1 80 11 11 LYS CE C 42.183 0.300 1 81 11 11 LYS CG C 24.716 0.300 1 82 11 11 LYS N N 121.790 0.300 1 83 12 12 PRO HA H 4.446 0.030 1 84 12 12 PRO HB2 H 2.267 0.030 2 85 12 12 PRO HB3 H 1.870 0.030 2 86 12 12 PRO HD2 H 3.748 0.030 2 87 12 12 PRO HD3 H 3.628 0.030 2 88 12 12 PRO HG2 H 1.985 0.030 2 89 12 12 PRO HG3 H 1.985 0.030 2 90 12 12 PRO C C 176.976 0.300 1 91 12 12 PRO CA C 63.232 0.300 1 92 12 12 PRO CB C 32.171 0.300 1 93 12 12 PRO CD C 50.632 0.300 1 94 12 12 PRO CG C 27.124 0.300 1 95 13 13 THR H H 8.234 0.030 1 96 13 13 THR HA H 4.257 0.030 1 97 13 13 THR HB H 4.134 0.030 1 98 13 13 THR HG2 H 1.194 0.030 1 99 13 13 THR C C 174.243 0.300 1 100 13 13 THR CA C 62.044 0.300 1 101 13 13 THR CB C 69.785 0.300 1 102 13 13 THR CG2 C 21.681 0.300 1 103 13 13 THR N N 115.226 0.300 1 104 14 14 LEU H H 8.245 0.030 1 105 14 14 LEU HA H 4.381 0.030 1 106 14 14 LEU HB2 H 1.585 0.030 2 107 14 14 LEU HB3 H 1.585 0.030 2 108 14 14 LEU HD1 H 0.869 0.030 2 109 14 14 LEU HD2 H 0.827 0.030 2 110 14 14 LEU HG H 1.575 0.030 1 111 14 14 LEU C C 176.792 0.300 1 112 14 14 LEU CA C 54.974 0.300 1 113 14 14 LEU CB C 42.416 0.300 1 114 14 14 LEU CD1 C 24.911 0.300 2 115 14 14 LEU CD2 C 23.543 0.300 2 116 14 14 LEU CG C 26.948 0.300 1 117 14 14 LEU N N 125.262 0.300 1 118 15 15 LEU H H 8.161 0.030 1 119 15 15 LEU HA H 4.423 0.030 1 120 15 15 LEU HB2 H 1.603 0.030 2 121 15 15 LEU HB3 H 1.491 0.030 2 122 15 15 LEU HD1 H 0.829 0.030 2 123 15 15 LEU HD2 H 0.830 0.030 2 124 15 15 LEU HG H 1.613 0.030 1 125 15 15 LEU C C 176.883 0.300 1 126 15 15 LEU CA C 54.743 0.300 1 127 15 15 LEU CB C 42.823 0.300 1 128 15 15 LEU CD1 C 24.296 0.300 2 129 15 15 LEU CD2 C 23.513 0.300 2 130 15 15 LEU CG C 27.144 0.300 1 131 15 15 LEU N N 123.591 0.300 1 132 16 16 SER H H 8.665 0.030 1 133 16 16 SER HA H 4.720 0.030 1 134 16 16 SER HB2 H 3.950 0.030 2 135 16 16 SER HB3 H 4.141 0.030 2 136 16 16 SER C C 173.021 0.300 1 137 16 16 SER CA C 56.517 0.300 1 138 16 16 SER CB C 63.299 0.300 1 139 16 16 SER N N 118.884 0.300 1 140 17 17 PRO HA H 4.292 0.030 1 141 17 17 PRO HB2 H 2.349 0.030 2 142 17 17 PRO HB3 H 1.937 0.030 2 143 17 17 PRO HD2 H 3.870 0.030 2 144 17 17 PRO HD3 H 3.838 0.030 2 145 17 17 PRO HG2 H 2.024 0.030 2 146 17 17 PRO HG3 H 2.140 0.030 2 147 17 17 PRO C C 178.620 0.300 1 148 17 17 PRO CA C 64.992 0.300 1 149 17 17 PRO CB C 31.922 0.300 1 150 17 17 PRO CD C 50.463 0.300 1 151 17 17 PRO CG C 27.799 0.300 1 152 18 18 GLU H H 8.573 0.030 1 153 18 18 GLU HA H 4.079 0.030 1 154 18 18 GLU HB2 H 1.983 0.030 2 155 18 18 GLU HB3 H 1.983 0.030 2 156 18 18 GLU HG2 H 2.274 0.030 2 157 18 18 GLU HG3 H 2.331 0.030 2 158 18 18 GLU C C 178.353 0.300 1 159 18 18 GLU CA C 58.764 0.300 1 160 18 18 GLU CB C 29.470 0.300 1 161 18 18 GLU CG C 36.588 0.300 1 162 18 18 GLU N N 118.279 0.300 1 163 19 19 GLU H H 8.042 0.030 1 164 19 19 GLU HA H 4.132 0.030 1 165 19 19 GLU HB2 H 2.152 0.030 2 166 19 19 GLU HB3 H 2.029 0.030 2 167 19 19 GLU HG2 H 2.290 0.030 2 168 19 19 GLU HG3 H 2.234 0.030 2 169 19 19 GLU C C 178.223 0.300 1 170 19 19 GLU CA C 57.972 0.300 1 171 19 19 GLU CB C 30.367 0.300 1 172 19 19 GLU CG C 36.965 0.300 1 173 19 19 GLU N N 121.307 0.300 1 174 20 20 LEU H H 8.233 0.030 1 175 20 20 LEU HA H 4.148 0.030 1 176 20 20 LEU HB2 H 1.691 0.030 2 177 20 20 LEU HB3 H 1.574 0.030 2 178 20 20 LEU HD1 H 0.859 0.030 2 179 20 20 LEU HD2 H 0.854 0.030 2 180 20 20 LEU HG H 1.584 0.030 1 181 20 20 LEU C C 178.587 0.300 1 182 20 20 LEU CA C 56.652 0.300 1 183 20 20 LEU CB C 42.017 0.300 1 184 20 20 LEU CD1 C 25.222 0.300 2 185 20 20 LEU CD2 C 23.846 0.300 2 186 20 20 LEU CG C 26.931 0.300 1 187 20 20 LEU N N 121.951 0.300 1 188 21 21 LYS H H 7.952 0.030 1 189 21 21 LYS HA H 4.152 0.030 1 190 21 21 LYS HB2 H 1.825 0.030 2 191 21 21 LYS HB3 H 1.825 0.030 2 192 21 21 LYS HD2 H 1.409 0.030 2 193 21 21 LYS HD3 H 1.484 0.030 2 194 21 21 LYS HE2 H 2.985 0.030 2 195 21 21 LYS HE3 H 2.985 0.030 2 196 21 21 LYS HG2 H 1.662 0.030 2 197 21 21 LYS HG3 H 1.662 0.030 2 198 21 21 LYS C C 177.546 0.300 1 199 21 21 LYS CA C 57.617 0.300 1 200 21 21 LYS CB C 32.634 0.300 1 201 21 21 LYS CD C 24.886 0.300 1 202 21 21 LYS CE C 42.163 0.300 1 203 21 21 LYS CG C 29.215 0.300 1 204 21 21 LYS N N 120.578 0.300 1 205 22 22 ALA H H 7.924 0.030 1 206 22 22 ALA HA H 4.209 0.030 1 207 22 22 ALA HB H 1.427 0.030 1 208 22 22 ALA C C 178.301 0.300 1 209 22 22 ALA CA C 53.400 0.300 1 210 22 22 ALA CB C 18.866 0.300 1 211 22 22 ALA N N 123.054 0.300 1 212 23 23 ALA H H 8.000 0.030 1 213 23 23 ALA HA H 4.290 0.030 1 214 23 23 ALA HB H 1.425 0.030 1 215 23 23 ALA C C 178.210 0.300 1 216 23 23 ALA CA C 53.004 0.300 1 217 23 23 ALA CB C 18.935 0.300 1 218 23 23 ALA N N 121.728 0.300 1 219 24 24 SER H H 8.015 0.030 1 220 24 24 SER HA H 4.428 0.030 1 221 24 24 SER HB2 H 3.912 0.030 2 222 24 24 SER HB3 H 3.922 0.030 2 223 24 24 SER C C 174.699 0.300 1 224 24 24 SER CA C 58.697 0.300 1 225 24 24 SER CB C 63.820 0.300 1 226 24 24 SER N N 114.087 0.300 1 227 25 25 ARG H H 8.161 0.030 1 228 25 25 ARG HA H 4.367 0.030 1 229 25 25 ARG HB2 H 1.911 0.030 2 230 25 25 ARG HB3 H 1.808 0.030 2 231 25 25 ARG HD2 H 3.196 0.030 2 232 25 25 ARG HD3 H 3.196 0.030 2 233 25 25 ARG HG2 H 1.636 0.030 2 234 25 25 ARG HG3 H 1.682 0.030 2 235 25 25 ARG C C 176.857 0.300 1 236 25 25 ARG CA C 56.396 0.300 1 237 25 25 ARG CB C 30.836 0.300 1 238 25 25 ARG CD C 43.298 0.300 1 239 25 25 ARG CG C 27.160 0.300 1 240 25 25 ARG N N 122.419 0.300 1 241 26 26 GLY H H 8.385 0.030 1 242 26 26 GLY HA2 H 3.982 0.030 2 243 26 26 GLY HA3 H 3.982 0.030 2 244 26 26 GLY C C 173.905 0.300 1 245 26 26 GLY CA C 45.397 0.300 1 246 26 26 GLY N N 109.413 0.300 1 247 27 27 ASN H H 8.413 0.030 1 248 27 27 ASN HA H 4.770 0.030 1 249 27 27 ASN HB2 H 2.851 0.030 2 250 27 27 ASN HB3 H 2.775 0.030 2 251 27 27 ASN HD21 H 7.624 0.030 2 252 27 27 ASN HD22 H 6.900 0.030 2 253 27 27 ASN C C 175.609 0.300 1 254 27 27 ASN CA C 53.362 0.300 1 255 27 27 ASN CB C 39.223 0.300 1 256 27 27 ASN N N 118.700 0.300 1 257 27 27 ASN ND2 N 112.790 0.300 1 258 28 28 GLY H H 8.389 0.030 1 259 28 28 GLY HA2 H 3.950 0.030 2 260 28 28 GLY HA3 H 3.950 0.030 2 261 28 28 GLY C C 173.320 0.300 1 262 28 28 GLY CA C 45.362 0.300 1 263 28 28 GLY N N 109.236 0.300 1 264 29 29 GLU H H 8.233 0.030 1 265 29 29 GLU HA H 4.407 0.030 1 266 29 29 GLU HB2 H 1.988 0.030 2 267 29 29 GLU HB3 H 1.867 0.030 2 268 29 29 GLU HG2 H 2.212 0.030 2 269 29 29 GLU HG3 H 2.139 0.030 2 270 29 29 GLU C C 174.972 0.300 1 271 29 29 GLU CA C 56.095 0.300 1 272 29 29 GLU CB C 31.121 0.300 1 273 29 29 GLU CG C 36.408 0.300 1 274 29 29 GLU N N 120.187 0.300 1 275 30 30 TYR H H 7.943 0.030 1 276 30 30 TYR HA H 4.844 0.030 1 277 30 30 TYR HB2 H 2.524 0.030 2 278 30 30 TYR HB3 H 2.590 0.030 2 279 30 30 TYR HD1 H 6.758 0.030 3 280 30 30 TYR HD2 H 6.758 0.030 3 281 30 30 TYR HE1 H 6.700 0.030 3 282 30 30 TYR HE2 H 6.700 0.030 3 283 30 30 TYR C C 174.686 0.300 1 284 30 30 TYR CA C 57.436 0.300 1 285 30 30 TYR CB C 41.116 0.300 1 286 30 30 TYR CD1 C 133.109 0.300 3 287 30 30 TYR CD2 C 133.109 0.300 3 288 30 30 TYR CE1 C 118.117 0.300 3 289 30 30 TYR CE2 C 118.117 0.300 3 290 30 30 TYR N N 118.852 0.300 1 291 31 31 ALA H H 9.017 0.030 1 292 31 31 ALA HA H 4.599 0.030 1 293 31 31 ALA HB H 1.180 0.030 1 294 31 31 ALA C C 174.074 0.300 1 295 31 31 ALA CA C 50.933 0.300 1 296 31 31 ALA CB C 23.001 0.300 1 297 31 31 ALA N N 123.785 0.300 1 298 32 32 TRP H H 8.325 0.030 1 299 32 32 TRP HA H 5.413 0.030 1 300 32 32 TRP HB2 H 3.340 0.030 2 301 32 32 TRP HB3 H 2.927 0.030 2 302 32 32 TRP HD1 H 7.207 0.030 1 303 32 32 TRP HE1 H 10.828 0.030 1 304 32 32 TRP HE3 H 6.702 0.030 1 305 32 32 TRP HH2 H 6.588 0.030 1 306 32 32 TRP HZ2 H 6.796 0.030 1 307 32 32 TRP HZ3 H 7.330 0.030 1 308 32 32 TRP C C 175.544 0.300 1 309 32 32 TRP CA C 56.677 0.300 1 310 32 32 TRP CB C 32.411 0.300 1 311 32 32 TRP CD1 C 126.350 0.300 1 312 32 32 TRP CE3 C 120.818 0.300 1 313 32 32 TRP CH2 C 122.613 0.300 1 314 32 32 TRP CZ2 C 114.080 0.300 1 315 32 32 TRP CZ3 C 120.235 0.300 1 316 32 32 TRP N N 119.386 0.300 1 317 32 32 TRP NE1 N 129.943 0.300 1 318 33 33 TYR H H 9.567 0.030 1 319 33 33 TYR HA H 5.590 0.030 1 320 33 33 TYR HB2 H 3.020 0.030 2 321 33 33 TYR HB3 H 2.470 0.030 2 322 33 33 TYR HD1 H 6.616 0.030 3 323 33 33 TYR HD2 H 6.616 0.030 3 324 33 33 TYR HE1 H 6.520 0.030 3 325 33 33 TYR HE2 H 6.520 0.030 3 326 33 33 TYR C C 174.595 0.300 1 327 33 33 TYR CA C 56.120 0.300 1 328 33 33 TYR CB C 44.521 0.300 1 329 33 33 TYR CD1 C 132.826 0.300 3 330 33 33 TYR CD2 C 132.826 0.300 3 331 33 33 TYR CE1 C 118.542 0.300 3 332 33 33 TYR CE2 C 118.542 0.300 3 333 33 33 TYR N N 119.920 0.300 1 334 34 34 TYR H H 9.252 0.030 1 335 34 34 TYR HA H 6.018 0.030 1 336 34 34 TYR HB2 H 3.011 0.030 2 337 34 34 TYR HB3 H 2.689 0.030 2 338 34 34 TYR HD1 H 5.953 0.030 3 339 34 34 TYR HD2 H 5.953 0.030 3 340 34 34 TYR HE1 H 6.250 0.030 3 341 34 34 TYR HE2 H 6.250 0.030 3 342 34 34 TYR C C 174.491 0.300 1 343 34 34 TYR CA C 54.856 0.300 1 344 34 34 TYR CB C 41.207 0.300 1 345 34 34 TYR CD1 C 134.069 0.300 3 346 34 34 TYR CD2 C 134.069 0.300 3 347 34 34 TYR CE1 C 117.054 0.300 3 348 34 34 TYR CE2 C 117.054 0.300 3 349 34 34 TYR N N 115.268 0.300 1 350 35 35 GLU H H 8.510 0.030 1 351 35 35 GLU HA H 3.430 0.030 1 352 35 35 GLU HB2 H 1.801 0.030 2 353 35 35 GLU HB3 H 0.936 0.030 2 354 35 35 GLU HG2 H 1.793 0.030 2 355 35 35 GLU HG3 H 1.334 0.030 2 356 35 35 GLU C C 175.791 0.300 1 357 35 35 GLU CA C 56.790 0.300 1 358 35 35 GLU CB C 30.370 0.300 1 359 35 35 GLU CG C 35.841 0.300 1 360 35 35 GLU N N 123.393 0.300 1 361 36 36 GLY H H 8.123 0.030 1 362 36 36 GLY HA2 H 4.390 0.030 2 363 36 36 GLY HA3 H 3.450 0.030 2 364 36 36 GLY C C 173.736 0.300 1 365 36 36 GLY CA C 43.948 0.300 1 366 36 36 GLY N N 114.780 0.300 1 367 37 37 ARG H H 8.502 0.030 1 368 37 37 ARG HA H 4.045 0.030 1 369 37 37 ARG HB2 H 1.800 0.030 2 370 37 37 ARG HB3 H 1.800 0.030 2 371 37 37 ARG HD2 H 3.200 0.030 2 372 37 37 ARG HD3 H 3.200 0.030 2 373 37 37 ARG HG2 H 1.623 0.030 2 374 37 37 ARG HG3 H 1.623 0.030 2 375 37 37 ARG C C 176.951 0.300 1 376 37 37 ARG CA C 58.281 0.300 1 377 37 37 ARG CB C 29.953 0.300 1 378 37 37 ARG CD C 43.298 0.300 1 379 37 37 ARG CG C 27.112 0.300 1 380 37 37 ARG N N 115.981 0.300 1 381 38 38 ASN H H 8.631 0.030 1 382 38 38 ASN HA H 4.689 0.030 1 383 38 38 ASN HB2 H 2.932 0.030 2 384 38 38 ASN HB3 H 2.789 0.030 2 385 38 38 ASN HD21 H 7.627 0.030 2 386 38 38 ASN HD22 H 6.902 0.030 2 387 38 38 ASN C C 173.996 0.300 1 388 38 38 ASN CA C 53.138 0.300 1 389 38 38 ASN CB C 38.717 0.300 1 390 38 38 ASN N N 116.146 0.300 1 391 38 38 ASN ND2 N 112.790 0.300 1 392 39 39 GLY H H 7.358 0.030 1 393 39 39 GLY HA2 H 4.134 0.030 2 394 39 39 GLY HA3 H 3.607 0.030 2 395 39 39 GLY C C 172.046 0.300 1 396 39 39 GLY CA C 44.598 0.300 1 397 39 39 GLY N N 107.241 0.300 1 398 40 40 TRP H H 8.210 0.030 1 399 40 40 TRP HA H 4.778 0.030 1 400 40 40 TRP HB2 H 2.700 0.030 2 401 40 40 TRP HB3 H 2.727 0.030 2 402 40 40 TRP HD1 H 7.091 0.030 1 403 40 40 TRP HE1 H 10.006 0.030 1 404 40 40 TRP HE3 H 7.086 0.030 1 405 40 40 TRP HH2 H 6.903 0.030 1 406 40 40 TRP HZ2 H 7.406 0.030 1 407 40 40 TRP HZ3 H 6.746 0.030 1 408 40 40 TRP C C 176.051 0.300 1 409 40 40 TRP CA C 56.680 0.300 1 410 40 40 TRP CB C 30.966 0.300 1 411 40 40 TRP CD1 C 127.509 0.300 1 412 40 40 TRP CE3 C 119.454 0.300 1 413 40 40 TRP CH2 C 124.111 0.300 1 414 40 40 TRP CZ2 C 114.971 0.300 1 415 40 40 TRP CZ3 C 122.221 0.300 1 416 40 40 TRP N N 120.187 0.300 1 417 40 40 TRP NE1 N 129.346 0.300 1 418 41 41 TRP H H 9.315 0.030 1 419 41 41 TRP HA H 4.680 0.030 1 420 41 41 TRP HB2 H 1.780 0.030 2 421 41 41 TRP HB3 H 2.684 0.030 2 422 41 41 TRP HD1 H 6.854 0.030 1 423 41 41 TRP HE1 H 10.046 0.030 1 424 41 41 TRP HE3 H 7.143 0.030 1 425 41 41 TRP HH2 H 7.227 0.030 1 426 41 41 TRP HZ2 H 7.464 0.030 1 427 41 41 TRP HZ3 H 7.690 0.030 1 428 41 41 TRP C C 174.048 0.300 1 429 41 41 TRP CA C 55.427 0.300 1 430 41 41 TRP CB C 31.017 0.300 1 431 41 41 TRP CD1 C 126.759 0.300 1 432 41 41 TRP CE3 C 121.904 0.300 1 433 41 41 TRP CH2 C 124.531 0.300 1 434 41 41 TRP CZ2 C 114.439 0.300 1 435 41 41 TRP CZ3 C 121.066 0.300 1 436 41 41 TRP N N 124.927 0.300 1 437 41 41 TRP NE1 N 128.748 0.300 1 438 42 42 GLN H H 8.770 0.030 1 439 42 42 GLN HA H 4.210 0.030 1 440 42 42 GLN HB2 H 1.790 0.030 2 441 42 42 GLN HB3 H 1.880 0.030 2 442 42 42 GLN HE21 H 7.585 0.030 2 443 42 42 GLN HE22 H 6.707 0.030 2 444 42 42 GLN HG2 H 2.770 0.030 2 445 42 42 GLN HG3 H 1.810 0.030 2 446 42 42 GLN C C 177.924 0.300 1 447 42 42 GLN CA C 56.150 0.300 1 448 42 42 GLN CB C 29.660 0.300 1 449 42 42 GLN CG C 33.485 0.300 1 450 42 42 GLN N N 124.007 0.300 1 451 42 42 GLN NE2 N 110.353 0.300 1 452 43 43 TYR H H 8.582 0.030 1 453 43 43 TYR HA H 4.630 0.030 1 454 43 43 TYR HB2 H 3.120 0.030 2 455 43 43 TYR HB3 H 2.780 0.030 2 456 43 43 TYR HD1 H 7.137 0.030 3 457 43 43 TYR HD2 H 7.137 0.030 3 458 43 43 TYR HE1 H 6.550 0.030 3 459 43 43 TYR HE2 H 6.550 0.030 3 460 43 43 TYR C C 176.545 0.300 1 461 43 43 TYR CA C 60.968 0.300 1 462 43 43 TYR CB C 40.118 0.300 1 463 43 43 TYR CD1 C 132.776 0.300 3 464 43 43 TYR CD2 C 132.776 0.300 3 465 43 43 TYR CE1 C 118.685 0.300 3 466 43 43 TYR CE2 C 118.685 0.300 3 467 43 43 TYR N N 125.976 0.300 1 468 44 44 ASP H H 8.645 0.030 1 469 44 44 ASP HA H 4.571 0.030 1 470 44 44 ASP HB2 H 3.174 0.030 2 471 44 44 ASP HB3 H 2.904 0.030 2 472 44 44 ASP C C 176.493 0.300 1 473 44 44 ASP CA C 53.749 0.300 1 474 44 44 ASP CB C 41.389 0.300 1 475 44 44 ASP N N 118.051 0.300 1 476 45 45 GLU H H 9.018 0.030 1 477 45 45 GLU HA H 4.039 0.030 1 478 45 45 GLU HB2 H 2.160 0.030 2 479 45 45 GLU HB3 H 2.071 0.030 2 480 45 45 GLU HG2 H 2.310 0.030 2 481 45 45 GLU HG3 H 2.405 0.030 2 482 45 45 GLU C C 178.379 0.300 1 483 45 45 GLU CA C 60.529 0.300 1 484 45 45 GLU CB C 29.810 0.300 1 485 45 45 GLU CG C 36.269 0.300 1 486 45 45 GLU N N 122.160 0.300 1 487 46 46 ARG H H 8.348 0.030 1 488 46 46 ARG HA H 4.002 0.030 1 489 46 46 ARG HB2 H 1.932 0.030 2 490 46 46 ARG HB3 H 1.932 0.030 2 491 46 46 ARG HD2 H 3.200 0.030 2 492 46 46 ARG HD3 H 3.200 0.030 2 493 46 46 ARG HG2 H 1.719 0.030 2 494 46 46 ARG HG3 H 1.590 0.030 2 495 46 46 ARG C C 178.964 0.300 1 496 46 46 ARG CA C 59.684 0.300 1 497 46 46 ARG CB C 29.673 0.300 1 498 46 46 ARG CD C 43.300 0.300 1 499 46 46 ARG CG C 27.181 0.300 1 500 46 46 ARG N N 120.015 0.300 1 501 47 47 THR H H 8.528 0.030 1 502 47 47 THR HA H 3.640 0.030 1 503 47 47 THR HB H 3.842 0.030 1 504 47 47 THR HG2 H 0.671 0.030 1 505 47 47 THR C C 176.363 0.300 1 506 47 47 THR CA C 66.813 0.300 1 507 47 47 THR CB C 67.993 0.300 1 508 47 47 THR CG2 C 23.068 0.300 1 509 47 47 THR N N 118.583 0.300 1 510 48 48 SER H H 8.502 0.030 1 511 48 48 SER HA H 4.027 0.030 1 512 48 48 SER HB2 H 3.752 0.030 2 513 48 48 SER HB3 H 4.158 0.030 2 514 48 48 SER C C 174.647 0.300 1 515 48 48 SER CA C 63.321 0.300 1 516 48 48 SER CB C 63.189 0.300 1 517 48 48 SER N N 115.984 0.300 1 518 49 49 ARG H H 7.871 0.030 1 519 49 49 ARG HA H 4.087 0.030 1 520 49 49 ARG HB2 H 1.996 0.030 2 521 49 49 ARG HB3 H 1.953 0.030 2 522 49 49 ARG HD2 H 3.238 0.030 2 523 49 49 ARG HD3 H 3.238 0.030 2 524 49 49 ARG HG2 H 1.846 0.030 2 525 49 49 ARG HG3 H 1.725 0.030 2 526 49 49 ARG C C 179.016 0.300 1 527 49 49 ARG CA C 59.362 0.300 1 528 49 49 ARG CB C 29.995 0.300 1 529 49 49 ARG CD C 43.595 0.300 1 530 49 49 ARG CG C 27.586 0.300 1 531 49 49 ARG N N 119.733 0.300 1 532 50 50 GLU H H 7.557 0.030 1 533 50 50 GLU HA H 4.011 0.030 1 534 50 50 GLU HB2 H 2.087 0.030 2 535 50 50 GLU HB3 H 1.930 0.030 2 536 50 50 GLU HG2 H 2.343 0.030 2 537 50 50 GLU HG3 H 2.272 0.030 2 538 50 50 GLU C C 179.978 0.300 1 539 50 50 GLU CA C 59.280 0.300 1 540 50 50 GLU CB C 29.047 0.300 1 541 50 50 GLU CG C 36.052 0.300 1 542 50 50 GLU N N 120.538 0.300 1 543 51 51 LEU H H 7.942 0.030 1 544 51 51 LEU HA H 3.301 0.030 1 545 51 51 LEU HB2 H 0.301 0.030 2 546 51 51 LEU HB3 H -1.153 0.030 2 547 51 51 LEU HD1 H 0.023 0.030 2 548 51 51 LEU HD2 H -0.229 0.030 2 549 51 51 LEU HG H 0.860 0.030 1 550 51 51 LEU C C 177.637 0.300 1 551 51 51 LEU CA C 58.036 0.300 1 552 51 51 LEU CB C 38.652 0.300 1 553 51 51 LEU CD1 C 22.719 0.300 2 554 51 51 LEU CD2 C 25.429 0.300 2 555 51 51 LEU CG C 26.134 0.300 1 556 51 51 LEU N N 122.512 0.300 1 557 52 52 GLU H H 8.105 0.030 1 558 52 52 GLU HA H 4.447 0.030 1 559 52 52 GLU HB2 H 2.280 0.030 2 560 52 52 GLU HB3 H 1.910 0.030 2 561 52 52 GLU HG2 H 2.333 0.030 2 562 52 52 GLU HG3 H 2.300 0.030 2 563 52 52 GLU C C 179.588 0.300 1 564 52 52 GLU CA C 58.587 0.300 1 565 52 52 GLU CB C 29.338 0.300 1 566 52 52 GLU CG C 33.860 0.300 1 567 52 52 GLU N N 119.178 0.300 1 568 53 53 ASP H H 8.246 0.030 1 569 53 53 ASP HA H 4.332 0.030 1 570 53 53 ASP HB2 H 2.773 0.030 2 571 53 53 ASP HB3 H 2.641 0.030 2 572 53 53 ASP C C 174.972 0.300 1 573 53 53 ASP CA C 57.836 0.300 1 574 53 53 ASP CB C 42.048 0.300 1 575 53 53 ASP N N 120.404 0.300 1 576 54 54 ALA H H 7.615 0.030 1 577 54 54 ALA HA H 3.923 0.030 1 578 54 54 ALA HB H 1.369 0.030 1 579 54 54 ALA C C 179.146 0.300 1 580 54 54 ALA CA C 55.400 0.300 1 581 54 54 ALA CB C 18.222 0.300 1 582 54 54 ALA N N 120.913 0.300 1 583 55 55 PHE H H 9.026 0.030 1 584 55 55 PHE HA H 4.232 0.030 1 585 55 55 PHE HB2 H 3.480 0.030 2 586 55 55 PHE HB3 H 3.432 0.030 2 587 55 55 PHE HD1 H 7.291 0.030 3 588 55 55 PHE HD2 H 7.291 0.030 3 589 55 55 PHE C C 180.238 0.300 1 590 55 55 PHE CA C 61.390 0.300 1 591 55 55 PHE CB C 40.794 0.300 1 592 55 55 PHE CD1 C 131.374 0.300 3 593 55 55 PHE CD2 C 131.374 0.300 3 594 55 55 PHE N N 119.867 0.300 1 595 56 56 SER H H 9.184 0.030 1 596 56 56 SER HA H 4.082 0.030 1 597 56 56 SER HB2 H 4.169 0.030 2 598 56 56 SER HB3 H 4.135 0.030 2 599 56 56 SER C C 175.856 0.300 1 600 56 56 SER CA C 61.428 0.300 1 601 56 56 SER CB C 63.256 0.300 1 602 56 56 SER N N 117.306 0.300 1 603 57 57 LYS H H 7.486 0.030 1 604 57 57 LYS HA H 4.286 0.030 1 605 57 57 LYS HB2 H 2.062 0.030 2 606 57 57 LYS HB3 H 1.702 0.030 2 607 57 57 LYS HD2 H 1.512 0.030 2 608 57 57 LYS HD3 H 1.590 0.030 2 609 57 57 LYS HE2 H 3.055 0.030 2 610 57 57 LYS HE3 H 2.923 0.030 2 611 57 57 LYS HG2 H 1.620 0.030 2 612 57 57 LYS HG3 H 1.408 0.030 2 613 57 57 LYS C C 176.870 0.300 1 614 57 57 LYS CA C 56.541 0.300 1 615 57 57 LYS CB C 33.745 0.300 1 616 57 57 LYS CD C 29.228 0.300 1 617 57 57 LYS CE C 42.230 0.300 1 618 57 57 LYS CG C 26.424 0.300 1 619 57 57 LYS N N 119.889 0.300 1 620 58 58 GLY H H 7.778 0.030 1 621 58 58 GLY HA2 H 3.910 0.030 2 622 58 58 GLY HA3 H 3.759 0.030 2 623 58 58 GLY C C 175.271 0.300 1 624 58 58 GLY CA C 46.100 0.300 1 625 58 58 GLY N N 108.816 0.300 1 626 59 59 LYS H H 7.880 0.030 1 627 59 59 LYS HA H 4.155 0.030 1 628 59 59 LYS HB2 H 1.915 0.030 2 629 59 59 LYS HB3 H 1.533 0.030 2 630 59 59 LYS HD2 H 1.762 0.030 2 631 59 59 LYS HD3 H 1.666 0.030 2 632 59 59 LYS HE2 H 2.962 0.030 2 633 59 59 LYS HE3 H 2.962 0.030 2 634 59 59 LYS HG2 H 1.471 0.030 2 635 59 59 LYS HG3 H 1.532 0.030 2 636 59 59 LYS C C 176.636 0.300 1 637 59 59 LYS CA C 56.660 0.300 1 638 59 59 LYS CB C 32.675 0.300 1 639 59 59 LYS CD C 29.216 0.300 1 640 59 59 LYS CE C 42.233 0.300 1 641 59 59 LYS CG C 25.817 0.300 1 642 59 59 LYS N N 118.742 0.300 1 643 60 60 LYS H H 8.648 0.030 1 644 60 60 LYS HA H 4.161 0.030 1 645 60 60 LYS HB2 H 1.959 0.030 2 646 60 60 LYS HB3 H 1.790 0.030 2 647 60 60 LYS HD2 H 1.640 0.030 2 648 60 60 LYS HD3 H 1.640 0.030 2 649 60 60 LYS HE2 H 2.968 0.030 2 650 60 60 LYS HE3 H 2.968 0.030 2 651 60 60 LYS HG2 H 1.419 0.030 2 652 60 60 LYS HG3 H 1.564 0.030 2 653 60 60 LYS C C 176.753 0.300 1 654 60 60 LYS CA C 57.619 0.300 1 655 60 60 LYS CB C 33.151 0.300 1 656 60 60 LYS CD C 28.980 0.300 1 657 60 60 LYS CE C 42.233 0.300 1 658 60 60 LYS CG C 25.549 0.300 1 659 60 60 LYS N N 119.532 0.300 1 660 61 61 ASN H H 7.630 0.030 1 661 61 61 ASN HA H 5.571 0.030 1 662 61 61 ASN HB2 H 2.567 0.030 2 663 61 61 ASN HB3 H 2.945 0.030 2 664 61 61 ASN HD21 H 6.905 0.030 2 665 61 61 ASN HD22 H 7.555 0.030 2 666 61 61 ASN C C 173.593 0.300 1 667 61 61 ASN CA C 51.920 0.300 1 668 61 61 ASN CB C 42.058 0.300 1 669 61 61 ASN N N 111.849 0.300 1 670 61 61 ASN ND2 N 114.231 0.300 1 671 62 62 THR H H 8.533 0.030 1 672 62 62 THR HA H 4.580 0.030 1 673 62 62 THR HB H 3.896 0.030 1 674 62 62 THR HG2 H 0.877 0.030 1 675 62 62 THR C C 171.058 0.300 1 676 62 62 THR CA C 60.565 0.300 1 677 62 62 THR CB C 69.921 0.300 1 678 62 62 THR CG2 C 19.256 0.300 1 679 62 62 THR N N 112.573 0.300 1 680 63 63 GLU H H 8.054 0.030 1 681 63 63 GLU HA H 5.360 0.030 1 682 63 63 GLU HB2 H 1.862 0.030 2 683 63 63 GLU HB3 H 1.901 0.030 2 684 63 63 GLU HG2 H 2.230 0.030 2 685 63 63 GLU HG3 H 2.079 0.030 2 686 63 63 GLU C C 175.830 0.300 1 687 63 63 GLU CA C 55.045 0.300 1 688 63 63 GLU CB C 32.640 0.300 1 689 63 63 GLU CG C 37.041 0.300 1 690 63 63 GLU N N 123.751 0.300 1 691 64 64 MET H H 9.017 0.030 1 692 64 64 MET HA H 4.708 0.030 1 693 64 64 MET HB2 H 1.844 0.030 2 694 64 64 MET HB3 H 1.844 0.030 2 695 64 64 MET HE H 1.633 0.030 1 696 64 64 MET HG2 H 2.227 0.030 2 697 64 64 MET HG3 H 2.121 0.030 2 698 64 64 MET C C 173.138 0.300 1 699 64 64 MET CA C 54.590 0.300 1 700 64 64 MET CB C 35.410 0.300 1 701 64 64 MET CE C 17.971 0.300 1 702 64 64 MET CG C 31.246 0.300 1 703 64 64 MET N N 119.920 0.300 1 704 65 65 LEU H H 8.759 0.030 1 705 65 65 LEU HA H 5.051 0.030 1 706 65 65 LEU HB2 H 1.591 0.030 2 707 65 65 LEU HB3 H 1.418 0.030 2 708 65 65 LEU HD1 H 0.732 0.030 2 709 65 65 LEU HD2 H 0.683 0.030 2 710 65 65 LEU HG H 1.367 0.030 1 711 65 65 LEU C C 176.818 0.300 1 712 65 65 LEU CA C 54.096 0.300 1 713 65 65 LEU CB C 43.235 0.300 1 714 65 65 LEU CD1 C 24.983 0.300 2 715 65 65 LEU CD2 C 23.989 0.300 2 716 65 65 LEU CG C 27.227 0.300 1 717 65 65 LEU N N 125.797 0.300 1 718 66 66 ILE H H 9.271 0.030 1 719 66 66 ILE HA H 4.229 0.030 1 720 66 66 ILE HB H 1.827 0.030 1 721 66 66 ILE HD1 H 0.408 0.030 1 722 66 66 ILE HG12 H 1.240 0.030 2 723 66 66 ILE HG13 H 0.884 0.030 2 724 66 66 ILE HG2 H 0.773 0.030 1 725 66 66 ILE C C 176.129 0.300 1 726 66 66 ILE CA C 61.333 0.300 1 727 66 66 ILE CB C 39.993 0.300 1 728 66 66 ILE CD1 C 12.912 0.300 1 729 66 66 ILE CG1 C 26.457 0.300 1 730 66 66 ILE CG2 C 17.004 0.300 1 731 66 66 ILE N N 126.122 0.300 1 732 67 67 ALA H H 9.440 0.030 1 733 67 67 ALA HA H 4.001 0.030 1 734 67 67 ALA HB H 1.493 0.030 1 735 67 67 ALA C C 176.571 0.300 1 736 67 67 ALA CA C 52.928 0.300 1 737 67 67 ALA CB C 17.462 0.300 1 738 67 67 ALA N N 132.723 0.300 1 739 68 68 GLY H H 8.151 0.030 1 740 68 68 GLY HA2 H 3.941 0.030 2 741 68 68 GLY HA3 H 3.361 0.030 2 742 68 68 GLY C C 173.801 0.300 1 743 68 68 GLY CA C 45.154 0.300 1 744 68 68 GLY N N 101.350 0.300 1 745 69 69 PHE H H 8.007 0.030 1 746 69 69 PHE HA H 4.772 0.030 1 747 69 69 PHE HB2 H 2.974 0.030 2 748 69 69 PHE HB3 H 2.679 0.030 2 749 69 69 PHE HD1 H 7.310 0.030 3 750 69 69 PHE HD2 H 7.310 0.030 3 751 69 69 PHE C C 173.788 0.300 1 752 69 69 PHE CA C 56.680 0.300 1 753 69 69 PHE CB C 42.502 0.300 1 754 69 69 PHE CD1 C 132.081 0.300 3 755 69 69 PHE CD2 C 132.081 0.300 3 756 69 69 PHE N N 119.468 0.300 1 757 70 70 LEU H H 8.434 0.030 1 758 70 70 LEU HA H 4.847 0.030 1 759 70 70 LEU HB2 H 1.531 0.030 2 760 70 70 LEU HB3 H 1.468 0.030 2 761 70 70 LEU HD1 H 0.826 0.030 2 762 70 70 LEU HD2 H 0.786 0.030 2 763 70 70 LEU HG H 1.440 0.030 1 764 70 70 LEU C C 176.558 0.300 1 765 70 70 LEU CA C 54.882 0.300 1 766 70 70 LEU CB C 43.289 0.300 1 767 70 70 LEU CD1 C 24.294 0.300 2 768 70 70 LEU CD2 C 24.774 0.300 2 769 70 70 LEU CG C 27.184 0.300 1 770 70 70 LEU N N 123.125 0.300 1 771 71 71 TYR H H 9.585 0.030 1 772 71 71 TYR HA H 4.831 0.030 1 773 71 71 TYR HB2 H 2.717 0.030 2 774 71 71 TYR HB3 H 2.510 0.030 2 775 71 71 TYR HD1 H 6.955 0.030 3 776 71 71 TYR HD2 H 6.955 0.030 3 777 71 71 TYR HE1 H 6.920 0.030 3 778 71 71 TYR HE2 H 6.920 0.030 3 779 71 71 TYR C C 174.243 0.300 1 780 71 71 TYR CA C 57.205 0.300 1 781 71 71 TYR CB C 42.291 0.300 1 782 71 71 TYR CD1 C 133.308 0.300 3 783 71 71 TYR CD2 C 133.308 0.300 3 784 71 71 TYR CE1 C 118.559 0.300 3 785 71 71 TYR CE2 C 118.559 0.300 3 786 71 71 TYR N N 126.408 0.300 1 787 72 72 VAL H H 9.013 0.030 1 788 72 72 VAL HA H 4.241 0.030 1 789 72 72 VAL HB H 0.855 0.030 1 790 72 72 VAL HG1 H 0.707 0.030 2 791 72 72 VAL HG2 H 0.664 0.030 2 792 72 72 VAL C C 174.842 0.300 1 793 72 72 VAL CA C 61.367 0.300 1 794 72 72 VAL CB C 33.497 0.300 1 795 72 72 VAL CG1 C 21.310 0.300 2 796 72 72 VAL CG2 C 20.685 0.300 2 797 72 72 VAL N N 120.454 0.300 1 798 73 73 ALA H H 8.710 0.030 1 799 73 73 ALA HA H 4.764 0.030 1 800 73 73 ALA HB H 0.974 0.030 1 801 73 73 ALA C C 174.764 0.300 1 802 73 73 ALA CA C 50.470 0.300 1 803 73 73 ALA CB C 19.925 0.300 1 804 73 73 ALA N N 127.132 0.300 1 805 74 74 ASP H H 9.252 0.030 1 806 74 74 ASP HA H 4.951 0.030 1 807 74 74 ASP HB2 H 3.391 0.030 2 808 74 74 ASP HB3 H 2.706 0.030 2 809 74 74 ASP C C 177.273 0.300 1 810 74 74 ASP CA C 52.588 0.300 1 811 74 74 ASP CB C 41.706 0.300 1 812 74 74 ASP N N 123.927 0.300 1 813 75 75 LEU H H 8.537 0.030 1 814 75 75 LEU HA H 4.586 0.030 1 815 75 75 LEU HB2 H 1.890 0.030 2 816 75 75 LEU HB3 H 1.837 0.030 2 817 75 75 LEU HD1 H 0.780 0.030 2 818 75 75 LEU HD2 H 0.819 0.030 2 819 75 75 LEU HG H 1.579 0.030 1 820 75 75 LEU C C 177.338 0.300 1 821 75 75 LEU CA C 55.863 0.300 1 822 75 75 LEU CB C 40.860 0.300 1 823 75 75 LEU CD1 C 25.538 0.300 2 824 75 75 LEU CD2 C 24.102 0.300 2 825 75 75 LEU CG C 28.187 0.300 1 826 75 75 LEU N N 124.853 0.300 1 827 76 76 GLU H H 8.493 0.030 1 828 76 76 GLU HA H 4.395 0.030 1 829 76 76 GLU HB2 H 2.237 0.030 2 830 76 76 GLU HB3 H 2.160 0.030 2 831 76 76 GLU HG2 H 2.166 0.030 2 832 76 76 GLU HG3 H 2.375 0.030 2 833 76 76 GLU C C 177.820 0.300 1 834 76 76 GLU CA C 58.573 0.300 1 835 76 76 GLU CB C 30.699 0.300 1 836 76 76 GLU CG C 36.718 0.300 1 837 76 76 GLU N N 120.465 0.300 1 838 77 77 ASN H H 8.377 0.030 1 839 77 77 ASN HA H 4.777 0.030 1 840 77 77 ASN HB2 H 2.820 0.030 2 841 77 77 ASN HB3 H 2.440 0.030 2 842 77 77 ASN HD21 H 9.123 0.030 2 843 77 77 ASN HD22 H 7.200 0.030 2 844 77 77 ASN C C 173.697 0.300 1 845 77 77 ASN CA C 53.477 0.300 1 846 77 77 ASN CB C 39.907 0.300 1 847 77 77 ASN N N 114.989 0.300 1 848 77 77 ASN ND2 N 119.363 0.300 1 849 78 78 MET H H 8.039 0.030 1 850 78 78 MET HA H 4.472 0.030 1 851 78 78 MET HB2 H 2.510 0.030 2 852 78 78 MET HB3 H 2.448 0.030 2 853 78 78 MET HE H 2.182 0.030 1 854 78 78 MET HG2 H 2.855 0.030 2 855 78 78 MET HG3 H 2.510 0.030 2 856 78 78 MET C C 176.298 0.300 1 857 78 78 MET CA C 55.471 0.300 1 858 78 78 MET CB C 27.609 0.300 1 859 78 78 MET CE C 17.811 0.300 1 860 78 78 MET CG C 33.297 0.300 1 861 78 78 MET N N 118.852 0.300 1 862 79 79 VAL H H 8.299 0.030 1 863 79 79 VAL HA H 5.471 0.030 1 864 79 79 VAL HB H 2.110 0.030 1 865 79 79 VAL HG1 H 1.010 0.030 2 866 79 79 VAL HG2 H 1.000 0.030 2 867 79 79 VAL C C 173.398 0.300 1 868 79 79 VAL CA C 59.527 0.300 1 869 79 79 VAL CB C 37.510 0.300 1 870 79 79 VAL CG1 C 22.123 0.300 2 871 79 79 VAL CG2 C 20.013 0.300 2 872 79 79 VAL N N 112.950 0.300 1 873 80 80 GLN H H 9.662 0.030 1 874 80 80 GLN HA H 5.892 0.030 1 875 80 80 GLN HB2 H 1.976 0.030 2 876 80 80 GLN HB3 H 1.976 0.030 2 877 80 80 GLN HE21 H 5.601 0.030 2 878 80 80 GLN HE22 H 6.797 0.030 2 879 80 80 GLN HG2 H 2.247 0.030 2 880 80 80 GLN HG3 H 2.180 0.030 2 881 80 80 GLN C C 175.414 0.300 1 882 80 80 GLN CA C 53.539 0.300 1 883 80 80 GLN CB C 32.968 0.300 1 884 80 80 GLN CG C 33.661 0.300 1 885 80 80 GLN N N 120.119 0.300 1 886 80 80 GLN NE2 N 108.764 0.300 1 887 81 81 TYR H H 8.751 0.030 1 888 81 81 TYR HA H 5.289 0.030 1 889 81 81 TYR HB2 H 3.154 0.030 2 890 81 81 TYR HB3 H 3.094 0.030 2 891 81 81 TYR HD1 H 6.805 0.030 3 892 81 81 TYR HD2 H 6.805 0.030 3 893 81 81 TYR HE1 H 6.658 0.030 3 894 81 81 TYR HE2 H 6.658 0.030 3 895 81 81 TYR C C 173.762 0.300 1 896 81 81 TYR CA C 55.948 0.300 1 897 81 81 TYR CB C 40.154 0.300 1 898 81 81 TYR CD1 C 134.160 0.300 3 899 81 81 TYR CD2 C 134.160 0.300 3 900 81 81 TYR CE1 C 117.308 0.300 3 901 81 81 TYR CE2 C 117.308 0.300 3 902 81 81 TYR N N 119.119 0.300 1 903 82 82 ARG H H 8.879 0.030 1 904 82 82 ARG HA H 4.010 0.030 1 905 82 82 ARG HB2 H 1.760 0.030 2 906 82 82 ARG HB3 H 1.627 0.030 2 907 82 82 ARG HD2 H 2.654 0.030 2 908 82 82 ARG HD3 H 2.654 0.030 2 909 82 82 ARG HE H 6.677 0.030 1 910 82 82 ARG HG2 H 1.063 0.030 2 911 82 82 ARG HG3 H 1.328 0.030 2 912 82 82 ARG C C 177.052 0.300 1 913 82 82 ARG CA C 56.154 0.300 1 914 82 82 ARG CB C 30.603 0.300 1 915 82 82 ARG CD C 43.261 0.300 1 916 82 82 ARG CG C 27.640 0.300 1 917 82 82 ARG N N 121.523 0.300 1 918 82 82 ARG NE N 117.582 0.300 1 919 83 83 ARG H H 8.447 0.030 1 920 83 83 ARG HA H 3.961 0.030 1 921 83 83 ARG HB2 H 1.727 0.030 2 922 83 83 ARG HB3 H 1.518 0.030 2 923 83 83 ARG HD2 H 3.113 0.030 2 924 83 83 ARG HD3 H 3.113 0.030 2 925 83 83 ARG HG2 H 1.621 0.030 2 926 83 83 ARG HG3 H 1.621 0.030 2 927 83 83 ARG C C 176.740 0.300 1 928 83 83 ARG CA C 59.019 0.300 1 929 83 83 ARG CB C 30.485 0.300 1 930 83 83 ARG CD C 43.484 0.300 1 931 83 83 ARG CG C 27.396 0.300 1 932 83 83 ARG N N 124.222 0.300 1 933 84 84 ASN H H 8.700 0.030 1 934 84 84 ASN HA H 4.590 0.030 1 935 84 84 ASN HB2 H 2.990 0.030 2 936 84 84 ASN HB3 H 2.949 0.030 2 937 84 84 ASN HD21 H 7.618 0.030 2 938 84 84 ASN HD22 H 6.839 0.030 2 939 84 84 ASN C C 174.556 0.300 1 940 84 84 ASN CA C 53.766 0.300 1 941 84 84 ASN CB C 38.052 0.300 1 942 84 84 ASN N N 114.873 0.300 1 943 84 84 ASN ND2 N 112.166 0.300 1 944 85 85 GLU H H 7.764 0.030 1 945 85 85 GLU HA H 4.424 0.030 1 946 85 85 GLU HB2 H 2.049 0.030 2 947 85 85 GLU HB3 H 1.809 0.030 2 948 85 85 GLU HG2 H 2.134 0.030 2 949 85 85 GLU HG3 H 2.134 0.030 2 950 85 85 GLU C C 175.583 0.300 1 951 85 85 GLU CA C 55.757 0.300 1 952 85 85 GLU CB C 30.770 0.300 1 953 85 85 GLU CG C 36.333 0.300 1 954 85 85 GLU N N 119.119 0.300 1 955 86 86 HIS H H 8.570 0.030 1 956 86 86 HIS HA H 4.427 0.030 1 957 86 86 HIS HB2 H 2.980 0.030 2 958 86 86 HIS HB3 H 3.030 0.030 2 959 86 86 HIS HD2 H 6.987 0.030 1 960 86 86 HIS HE1 H 8.076 0.030 1 961 86 86 HIS C C 175.648 0.300 1 962 86 86 HIS CA C 56.710 0.300 1 963 86 86 HIS CB C 29.646 0.300 1 964 86 86 HIS CD2 C 119.431 0.300 1 965 86 86 HIS CE1 C 137.618 0.300 1 966 86 86 HIS N N 120.989 0.300 1 967 87 87 GLY H H 8.433 0.030 1 968 87 87 GLY HA2 H 3.882 0.030 2 969 87 87 GLY HA3 H 4.005 0.030 2 970 87 87 GLY C C 173.918 0.300 1 971 87 87 GLY CA C 45.333 0.300 1 972 87 87 GLY N N 108.167 0.300 1 973 88 88 ARG H H 8.182 0.030 1 974 88 88 ARG HA H 4.423 0.030 1 975 88 88 ARG HB2 H 1.920 0.030 2 976 88 88 ARG HB3 H 1.802 0.030 2 977 88 88 ARG HD2 H 3.208 0.030 2 978 88 88 ARG HD3 H 3.208 0.030 2 979 88 88 ARG HG2 H 1.620 0.030 2 980 88 88 ARG HG3 H 1.620 0.030 2 981 88 88 ARG C C 175.700 0.300 1 982 88 88 ARG CA C 55.831 0.300 1 983 88 88 ARG CB C 30.364 0.300 1 984 88 88 ARG CD C 43.369 0.300 1 985 88 88 ARG CG C 26.970 0.300 1 986 88 88 ARG N N 121.523 0.300 1 987 89 89 ARG H H 8.444 0.030 1 988 89 89 ARG HA H 5.118 0.030 1 989 89 89 ARG HB2 H 1.760 0.030 2 990 89 89 ARG HB3 H 1.846 0.030 2 991 89 89 ARG HD2 H 2.985 0.030 2 992 89 89 ARG HD3 H 3.140 0.030 2 993 89 89 ARG HG2 H 1.635 0.030 2 994 89 89 ARG HG3 H 1.540 0.030 2 995 89 89 ARG C C 175.843 0.300 1 996 89 89 ARG CA C 55.611 0.300 1 997 89 89 ARG CB C 32.101 0.300 1 998 89 89 ARG CD C 43.834 0.300 1 999 89 89 ARG CG C 27.699 0.300 1 1000 89 89 ARG N N 123.660 0.300 1 1001 90 90 ARG H H 8.812 0.030 1 1002 90 90 ARG HA H 4.844 0.030 1 1003 90 90 ARG HB2 H 2.120 0.030 2 1004 90 90 ARG HB3 H 1.882 0.030 2 1005 90 90 ARG HD2 H 3.037 0.030 2 1006 90 90 ARG HD3 H 3.348 0.030 2 1007 90 90 ARG HG2 H 1.780 0.030 2 1008 90 90 ARG HG3 H 1.780 0.030 2 1009 90 90 ARG C C 175.115 0.300 1 1010 90 90 ARG CA C 54.426 0.300 1 1011 90 90 ARG CB C 33.512 0.300 1 1012 90 90 ARG CD C 43.607 0.300 1 1013 90 90 ARG CG C 27.219 0.300 1 1014 90 90 ARG N N 122.057 0.300 1 1015 91 91 LYS H H 9.165 0.030 1 1016 91 91 LYS HA H 4.840 0.030 1 1017 91 91 LYS HB2 H 2.261 0.030 2 1018 91 91 LYS HB3 H 1.823 0.030 2 1019 91 91 LYS HD2 H 1.901 0.030 2 1020 91 91 LYS HD3 H 1.925 0.030 2 1021 91 91 LYS HE2 H 3.158 0.030 2 1022 91 91 LYS HE3 H 3.133 0.030 2 1023 91 91 LYS HG2 H 1.772 0.030 2 1024 91 91 LYS HG3 H 1.820 0.030 2 1025 91 91 LYS C C 175.427 0.300 1 1026 91 91 LYS CA C 57.773 0.300 1 1027 91 91 LYS CB C 33.997 0.300 1 1028 91 91 LYS CD C 29.093 0.300 1 1029 91 91 LYS CE C 42.029 0.300 1 1030 91 91 LYS CG C 25.610 0.300 1 1031 91 91 LYS N N 123.217 0.300 1 1032 92 92 ILE H H 7.877 0.030 1 1033 92 92 ILE HA H 5.874 0.030 1 1034 92 92 ILE HB H 2.308 0.030 1 1035 92 92 ILE HD1 H 0.890 0.030 1 1036 92 92 ILE HG12 H 1.589 0.030 2 1037 92 92 ILE HG13 H 0.883 0.030 2 1038 92 92 ILE HG2 H 1.330 0.030 1 1039 92 92 ILE C C 174.868 0.300 1 1040 92 92 ILE CA C 59.942 0.300 1 1041 92 92 ILE CB C 42.746 0.300 1 1042 92 92 ILE CD1 C 14.032 0.300 1 1043 92 92 ILE CG1 C 25.948 0.300 1 1044 92 92 ILE CG2 C 19.489 0.300 1 1045 92 92 ILE N N 114.246 0.300 1 1046 93 93 LYS H H 9.121 0.030 1 1047 93 93 LYS HA H 4.550 0.030 1 1048 93 93 LYS HB2 H 1.250 0.030 2 1049 93 93 LYS HB3 H 1.197 0.030 2 1050 93 93 LYS HD2 H 0.100 0.030 2 1051 93 93 LYS HD3 H 0.618 0.030 2 1052 93 93 LYS HE2 H 1.338 0.030 2 1053 93 93 LYS HE3 H 0.720 0.030 2 1054 93 93 LYS HG2 H 0.304 0.030 2 1055 93 93 LYS HG3 H 0.521 0.030 2 1056 93 93 LYS C C 171.682 0.300 1 1057 93 93 LYS CA C 55.672 0.300 1 1058 93 93 LYS CB C 35.891 0.300 1 1059 93 93 LYS CD C 29.196 0.300 1 1060 93 93 LYS CE C 40.942 0.300 1 1061 93 93 LYS CG C 24.318 0.300 1 1062 93 93 LYS N N 117.516 0.300 1 1063 94 94 ARG H H 7.840 0.030 1 1064 94 94 ARG HA H 4.312 0.030 1 1065 94 94 ARG HB2 H 0.425 0.030 2 1066 94 94 ARG HB3 H -1.050 0.030 2 1067 94 94 ARG HD2 H 1.700 0.030 2 1068 94 94 ARG HD3 H 1.783 0.030 2 1069 94 94 ARG HE H 5.849 0.030 1 1070 94 94 ARG HG2 H -0.203 0.030 2 1071 94 94 ARG HG3 H 0.442 0.030 2 1072 94 94 ARG C C 175.362 0.300 1 1073 94 94 ARG CA C 53.642 0.300 1 1074 94 94 ARG CB C 30.524 0.300 1 1075 94 94 ARG CD C 42.464 0.300 1 1076 94 94 ARG CG C 27.693 0.300 1 1077 94 94 ARG N N 124.586 0.300 1 1078 95 95 ASP H H 9.152 0.030 1 1079 95 95 ASP HA H 4.925 0.030 1 1080 95 95 ASP HB2 H 2.450 0.030 2 1081 95 95 ASP HB3 H 1.968 0.030 2 1082 95 95 ASP C C 174.204 0.300 1 1083 95 95 ASP CA C 52.131 0.300 1 1084 95 95 ASP CB C 44.945 0.300 1 1085 95 95 ASP N N 126.998 0.300 1 1086 96 96 ILE H H 8.520 0.030 1 1087 96 96 ILE HA H 4.083 0.030 1 1088 96 96 ILE HB H 1.582 0.030 1 1089 96 96 ILE HD1 H 0.598 0.030 1 1090 96 96 ILE HG12 H 1.134 0.030 2 1091 96 96 ILE HG13 H 0.872 0.030 2 1092 96 96 ILE HG2 H 0.684 0.030 1 1093 96 96 ILE C C 176.116 0.300 1 1094 96 96 ILE CA C 60.441 0.300 1 1095 96 96 ILE CB C 38.992 0.300 1 1096 96 96 ILE CD1 C 12.877 0.300 1 1097 96 96 ILE CG1 C 27.354 0.300 1 1098 96 96 ILE CG2 C 17.604 0.300 1 1099 96 96 ILE N N 119.920 0.300 1 1100 97 97 ILE H H 8.046 0.030 1 1101 97 97 ILE HA H 4.027 0.030 1 1102 97 97 ILE HB H 1.629 0.030 1 1103 97 97 ILE HD1 H 0.687 0.030 1 1104 97 97 ILE HG12 H 1.279 0.030 2 1105 97 97 ILE HG13 H 0.939 0.030 2 1106 97 97 ILE HG2 H 0.771 0.030 1 1107 97 97 ILE C C 175.154 0.300 1 1108 97 97 ILE CA C 61.157 0.300 1 1109 97 97 ILE CB C 39.020 0.300 1 1110 97 97 ILE CD1 C 13.230 0.300 1 1111 97 97 ILE CG1 C 27.622 0.300 1 1112 97 97 ILE CG2 C 17.498 0.300 1 1113 97 97 ILE N N 124.842 0.300 1 1114 98 98 ASP H H 8.181 0.030 1 1115 98 98 ASP HA H 4.575 0.030 1 1116 98 98 ASP HB2 H 2.444 0.030 2 1117 98 98 ASP HB3 H 2.577 0.030 2 1118 98 98 ASP C C 175.362 0.300 1 1119 98 98 ASP CA C 53.868 0.300 1 1120 98 98 ASP CB C 41.317 0.300 1 1121 98 98 ASP N N 124.728 0.300 1 1122 99 99 ILE H H 7.938 0.030 1 1123 99 99 ILE HA H 4.357 0.030 1 1124 99 99 ILE HB H 1.767 0.030 1 1125 99 99 ILE HD1 H 0.706 0.030 1 1126 99 99 ILE HG12 H 1.053 0.030 2 1127 99 99 ILE HG13 H 1.387 0.030 2 1128 99 99 ILE HG2 H 0.855 0.030 1 1129 99 99 ILE C C 174.387 0.300 1 1130 99 99 ILE CA C 58.882 0.300 1 1131 99 99 ILE CB C 38.598 0.300 1 1132 99 99 ILE CD1 C 12.810 0.300 1 1133 99 99 ILE CG1 C 26.820 0.300 1 1134 99 99 ILE CG2 C 17.247 0.300 1 1135 99 99 ILE N N 122.591 0.300 1 1136 100 100 PRO HA H 4.350 0.030 1 1137 100 100 PRO HB2 H 1.812 0.030 2 1138 100 100 PRO HB3 H 2.249 0.030 2 1139 100 100 PRO HD2 H 3.613 0.030 2 1140 100 100 PRO HD3 H 3.800 0.030 2 1141 100 100 PRO HG2 H 1.924 0.030 2 1142 100 100 PRO HG3 H 1.989 0.030 2 1143 100 100 PRO CA C 63.273 0.300 1 1144 100 100 PRO CB C 32.083 0.300 1 1145 100 100 PRO CD C 50.984 0.300 1 1146 100 100 PRO CG C 27.478 0.300 1 1147 101 101 LYS H H 8.371 0.030 1 1148 101 101 LYS HA H 4.290 0.030 1 1149 101 101 LYS HB2 H 1.797 0.030 2 1150 101 101 LYS HB3 H 1.721 0.030 2 1151 101 101 LYS HD2 H 1.664 0.030 2 1152 101 101 LYS HD3 H 1.664 0.030 2 1153 101 101 LYS HE2 H 2.982 0.030 2 1154 101 101 LYS HE3 H 2.982 0.030 2 1155 101 101 LYS HG2 H 1.403 0.030 2 1156 101 101 LYS HG3 H 1.433 0.030 2 1157 101 101 LYS C C 176.636 0.300 1 1158 101 101 LYS CA C 56.062 0.300 1 1159 101 101 LYS CB C 33.119 0.300 1 1160 101 101 LYS CD C 29.029 0.300 1 1161 101 101 LYS CE C 42.233 0.300 1 1162 101 101 LYS CG C 24.448 0.300 1 1163 101 101 LYS N N 121.687 0.300 1 1164 102 102 LYS H H 8.360 0.030 1 1165 102 102 LYS HA H 4.266 0.030 1 1166 102 102 LYS HB2 H 1.640 0.030 2 1167 102 102 LYS HB3 H 1.753 0.030 2 1168 102 102 LYS HD2 H 1.637 0.030 2 1169 102 102 LYS HD3 H 1.637 0.030 2 1170 102 102 LYS HE2 H 2.952 0.030 2 1171 102 102 LYS HE3 H 2.952 0.030 2 1172 102 102 LYS HG2 H 1.420 0.030 2 1173 102 102 LYS HG3 H 1.420 0.030 2 1174 102 102 LYS C C 177.000 0.300 1 1175 102 102 LYS CA C 56.385 0.300 1 1176 102 102 LYS CB C 33.038 0.300 1 1177 102 102 LYS CD C 28.958 0.300 1 1178 102 102 LYS CE C 42.091 0.300 1 1179 102 102 LYS CG C 24.698 0.300 1 1180 102 102 LYS N N 122.450 0.300 1 1181 103 103 GLY H H 8.355 0.030 1 1182 103 103 GLY HA2 H 3.940 0.030 2 1183 103 103 GLY HA3 H 3.940 0.030 2 1184 103 103 GLY C C 173.892 0.300 1 1185 103 103 GLY CA C 45.303 0.300 1 1186 103 103 GLY N N 110.121 0.300 1 1187 104 104 VAL H H 8.035 0.030 1 1188 104 104 VAL HA H 4.238 0.030 1 1189 104 104 VAL HB H 2.095 0.030 1 1190 104 104 VAL HG1 H 0.920 0.030 2 1191 104 104 VAL HG2 H 0.892 0.030 2 1192 104 104 VAL C C 176.311 0.300 1 1193 104 104 VAL CA C 62.037 0.300 1 1194 104 104 VAL CB C 32.986 0.300 1 1195 104 104 VAL CG1 C 21.148 0.300 2 1196 104 104 VAL CG2 C 20.253 0.300 2 1197 104 104 VAL N N 118.852 0.300 1 1198 105 105 SER H H 8.475 0.030 1 1199 105 105 SER HA H 4.533 0.030 1 1200 105 105 SER HB2 H 3.858 0.030 2 1201 105 105 SER HB3 H 3.858 0.030 2 1202 105 105 SER C C 174.426 0.300 1 1203 105 105 SER CA C 58.295 0.300 1 1204 105 105 SER CB C 64.087 0.300 1 1205 105 105 SER N N 119.654 0.300 1 1206 106 106 GLY H H 8.239 0.030 1 1207 106 106 GLY HA2 H 4.058 0.030 2 1208 106 106 GLY HA3 H 4.145 0.030 2 1209 106 106 GLY C C 171.760 0.300 1 1210 106 106 GLY CA C 44.676 0.300 1 1211 106 106 GLY N N 110.838 0.300 1 1212 107 107 PRO HA H 4.501 0.030 1 1213 107 107 PRO HB2 H 2.305 0.030 2 1214 107 107 PRO HB3 H 1.973 0.030 2 1215 107 107 PRO HD2 H 3.575 0.030 2 1216 107 107 PRO HD3 H 3.575 0.030 2 1217 107 107 PRO HG2 H 1.997 0.030 2 1218 107 107 PRO HG3 H 1.997 0.030 2 1219 107 107 PRO C C 177.103 0.300 1 1220 107 107 PRO CA C 63.220 0.300 1 1221 107 107 PRO CB C 32.293 0.300 1 1222 107 107 PRO CD C 49.687 0.300 1 1223 107 107 PRO CG C 27.041 0.300 1 stop_ save_