data_11188 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first PDZ domain of InaD-like protein ; _BMRB_accession_number 11188 _BMRB_flat_file_name bmr11188.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Kurosaki C. . . 3 Hayashi F. . . 4 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" 690 "13C chemical shifts" 502 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the first PDZ domain of InaD-like 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 Inoue K. . . 2 Kurosaki C. . . 3 Hayashi F. . . 4 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 'InaD-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSSGSSGLGNEDFNSVIQQM AQGRQIEYIDIERPSTGGLG FSVVALRSQNLGKVDIFVKD VQPGSVADRDQRLKENDQIL AINHTPLDQNISHQQAIALL QQTTGSLRLIVAREPVHTKS STSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 GLY 10 ASN 11 GLU 12 ASP 13 PHE 14 ASN 15 SER 16 VAL 17 ILE 18 GLN 19 GLN 20 MET 21 ALA 22 GLN 23 GLY 24 ARG 25 GLN 26 ILE 27 GLU 28 TYR 29 ILE 30 ASP 31 ILE 32 GLU 33 ARG 34 PRO 35 SER 36 THR 37 GLY 38 GLY 39 LEU 40 GLY 41 PHE 42 SER 43 VAL 44 VAL 45 ALA 46 LEU 47 ARG 48 SER 49 GLN 50 ASN 51 LEU 52 GLY 53 LYS 54 VAL 55 ASP 56 ILE 57 PHE 58 VAL 59 LYS 60 ASP 61 VAL 62 GLN 63 PRO 64 GLY 65 SER 66 VAL 67 ALA 68 ASP 69 ARG 70 ASP 71 GLN 72 ARG 73 LEU 74 LYS 75 GLU 76 ASN 77 ASP 78 GLN 79 ILE 80 LEU 81 ALA 82 ILE 83 ASN 84 HIS 85 THR 86 PRO 87 LEU 88 ASP 89 GLN 90 ASN 91 ILE 92 SER 93 HIS 94 GLN 95 GLN 96 ALA 97 ILE 98 ALA 99 LEU 100 LEU 101 GLN 102 GLN 103 THR 104 THR 105 GLY 106 SER 107 LEU 108 ARG 109 LEU 110 ILE 111 VAL 112 ALA 113 ARG 114 GLU 115 PRO 116 VAL 117 HIS 118 THR 119 LYS 120 SER 121 SER 122 THR 123 SER 124 GLY 125 PRO 126 SER 127 SER 128 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 2DB5 "Solution Structure Of The First Pdz Domain Of Inad-Like Protein" 100.00 128 100.00 100.00 5.69e-85 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 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050302-62 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.37mM U-15N,13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.37 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.93191 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 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_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PDZ domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.958 0.030 1 2 7 7 GLY HA3 H 3.958 0.030 1 3 7 7 GLY C C 171.473 0.300 1 4 7 7 GLY CA C 45.280 0.300 1 5 8 8 LEU H H 8.191 0.030 1 6 8 8 LEU HA H 4.370 0.030 1 7 8 8 LEU HB2 H 1.596 0.030 2 8 8 8 LEU HB3 H 1.656 0.030 2 9 8 8 LEU HD1 H 0.909 0.030 1 10 8 8 LEU HD2 H 0.855 0.030 1 11 8 8 LEU HG H 1.612 0.030 1 12 8 8 LEU C C 178.092 0.300 1 13 8 8 LEU CA C 55.173 0.300 1 14 8 8 LEU CB C 42.571 0.300 1 15 8 8 LEU CD1 C 25.096 0.300 2 16 8 8 LEU CD2 C 23.275 0.300 2 17 8 8 LEU CG C 27.025 0.300 1 18 8 8 LEU N N 121.573 0.300 1 19 9 9 GLY H H 8.633 0.030 1 20 9 9 GLY HA2 H 3.974 0.030 1 21 9 9 GLY HA3 H 3.974 0.030 1 22 9 9 GLY C C 174.141 0.300 1 23 9 9 GLY CA C 45.225 0.300 1 24 9 9 GLY N N 109.874 0.300 1 25 10 10 ASN H H 8.377 0.030 1 26 10 10 ASN HA H 4.718 0.030 1 27 10 10 ASN HB2 H 2.810 0.030 2 28 10 10 ASN HB3 H 2.868 0.030 2 29 10 10 ASN HD21 H 6.926 0.030 2 30 10 10 ASN HD22 H 7.622 0.030 2 31 10 10 ASN C C 175.861 0.300 1 32 10 10 ASN CA C 53.826 0.300 1 33 10 10 ASN CB C 38.924 0.300 1 34 10 10 ASN N N 118.747 0.300 1 35 10 10 ASN ND2 N 112.832 0.300 1 36 11 11 GLU H H 8.715 0.030 1 37 11 11 GLU HA H 4.221 0.030 1 38 11 11 GLU HB2 H 2.004 0.030 2 39 11 11 GLU HB3 H 2.068 0.030 2 40 11 11 GLU HG2 H 2.321 0.030 1 41 11 11 GLU HG3 H 2.321 0.030 1 42 11 11 GLU C C 177.481 0.300 1 43 11 11 GLU CA C 58.374 0.300 1 44 11 11 GLU CB C 29.600 0.300 1 45 11 11 GLU CG C 36.444 0.300 1 46 11 11 GLU N N 120.795 0.300 1 47 12 12 ASP H H 8.338 0.030 1 48 12 12 ASP HA H 4.549 0.030 1 49 12 12 ASP HB2 H 2.770 0.030 1 50 12 12 ASP HB3 H 2.770 0.030 1 51 12 12 ASP C C 176.869 0.300 1 52 12 12 ASP CA C 55.493 0.300 1 53 12 12 ASP CB C 40.983 0.300 1 54 12 12 ASP N N 120.975 0.300 1 55 13 13 PHE H H 8.389 0.030 1 56 13 13 PHE HA H 4.116 0.030 1 57 13 13 PHE HB2 H 3.058 0.030 2 58 13 13 PHE HB3 H 3.234 0.030 2 59 13 13 PHE HD1 H 7.181 0.030 1 60 13 13 PHE HD2 H 7.181 0.030 1 61 13 13 PHE HE1 H 6.934 0.030 1 62 13 13 PHE HE2 H 6.934 0.030 1 63 13 13 PHE HZ H 6.854 0.030 1 64 13 13 PHE C C 176.351 0.300 1 65 13 13 PHE CA C 61.588 0.300 1 66 13 13 PHE CB C 39.641 0.300 1 67 13 13 PHE CD1 C 131.881 0.300 1 68 13 13 PHE CD2 C 131.881 0.300 1 69 13 13 PHE CE1 C 130.383 0.300 1 70 13 13 PHE CE2 C 130.383 0.300 1 71 13 13 PHE CZ C 128.775 0.300 1 72 13 13 PHE N N 122.925 0.300 1 73 14 14 ASN H H 8.502 0.030 1 74 14 14 ASN HA H 4.242 0.030 1 75 14 14 ASN HB2 H 2.810 0.030 2 76 14 14 ASN HB3 H 2.913 0.030 2 77 14 14 ASN HD21 H 6.922 0.030 2 78 14 14 ASN HD22 H 7.766 0.030 2 79 14 14 ASN C C 177.964 0.300 1 80 14 14 ASN CA C 56.341 0.300 1 81 14 14 ASN CB C 37.905 0.300 1 82 14 14 ASN N N 115.894 0.300 1 83 14 14 ASN ND2 N 112.842 0.300 1 84 15 15 SER H H 8.128 0.030 1 85 15 15 SER HA H 4.200 0.030 1 86 15 15 SER HB2 H 3.991 0.030 2 87 15 15 SER HB3 H 4.045 0.030 2 88 15 15 SER C C 176.882 0.300 1 89 15 15 SER CA C 61.732 0.300 1 90 15 15 SER CB C 62.576 0.300 1 91 15 15 SER N N 115.842 0.300 1 92 16 16 VAL H H 7.859 0.030 1 93 16 16 VAL HA H 3.673 0.030 1 94 16 16 VAL HB H 2.076 0.030 1 95 16 16 VAL HG1 H 1.025 0.030 1 96 16 16 VAL HG2 H 0.876 0.030 1 97 16 16 VAL C C 178.308 0.300 1 98 16 16 VAL CA C 66.378 0.300 1 99 16 16 VAL CB C 31.531 0.300 1 100 16 16 VAL CG1 C 22.719 0.300 2 101 16 16 VAL CG2 C 21.185 0.300 2 102 16 16 VAL N N 123.897 0.300 1 103 17 17 ILE H H 7.743 0.030 1 104 17 17 ILE HA H 3.517 0.030 1 105 17 17 ILE HB H 1.925 0.030 1 106 17 17 ILE HD1 H 0.231 0.030 1 107 17 17 ILE HG12 H 0.782 0.030 2 108 17 17 ILE HG13 H 1.033 0.030 2 109 17 17 ILE HG2 H 0.637 0.030 1 110 17 17 ILE C C 178.199 0.300 1 111 17 17 ILE CA C 62.659 0.300 1 112 17 17 ILE CB C 35.214 0.300 1 113 17 17 ILE CD1 C 10.346 0.300 1 114 17 17 ILE CG1 C 26.552 0.300 1 115 17 17 ILE CG2 C 18.152 0.300 1 116 17 17 ILE N N 119.368 0.300 1 117 18 18 GLN H H 8.048 0.030 1 118 18 18 GLN HA H 3.831 0.030 1 119 18 18 GLN HB2 H 2.146 0.030 1 120 18 18 GLN HB3 H 2.146 0.030 1 121 18 18 GLN HE21 H 6.782 0.030 2 122 18 18 GLN HE22 H 7.426 0.030 2 123 18 18 GLN HG2 H 2.418 0.030 2 124 18 18 GLN HG3 H 2.451 0.030 2 125 18 18 GLN C C 179.628 0.300 1 126 18 18 GLN CA C 59.061 0.300 1 127 18 18 GLN CB C 28.131 0.300 1 128 18 18 GLN CG C 33.696 0.300 1 129 18 18 GLN N N 117.868 0.300 1 130 18 18 GLN NE2 N 111.722 0.300 1 131 19 19 GLN H H 8.033 0.030 1 132 19 19 GLN HA H 4.076 0.030 1 133 19 19 GLN HB2 H 2.226 0.030 1 134 19 19 GLN HB3 H 2.226 0.030 1 135 19 19 GLN HE21 H 6.833 0.030 2 136 19 19 GLN HE22 H 7.352 0.030 2 137 19 19 GLN HG2 H 2.389 0.030 2 138 19 19 GLN HG3 H 2.513 0.030 2 139 19 19 GLN C C 179.367 0.300 1 140 19 19 GLN CA C 58.788 0.300 1 141 19 19 GLN CB C 28.353 0.300 1 142 19 19 GLN CG C 33.928 0.300 1 143 19 19 GLN N N 119.668 0.300 1 144 19 19 GLN NE2 N 111.536 0.300 1 145 20 20 MET H H 8.230 0.030 1 146 20 20 MET HA H 4.075 0.030 1 147 20 20 MET HB2 H 1.981 0.030 2 148 20 20 MET HB3 H 2.076 0.030 2 149 20 20 MET HE H 1.992 0.030 1 150 20 20 MET HG2 H 2.391 0.030 2 151 20 20 MET HG3 H 2.889 0.030 2 152 20 20 MET C C 178.521 0.300 1 153 20 20 MET CA C 58.381 0.300 1 154 20 20 MET CB C 35.235 0.300 1 155 20 20 MET CE C 17.115 0.300 1 156 20 20 MET CG C 31.897 0.300 1 157 20 20 MET N N 118.086 0.300 1 158 21 21 ALA H H 8.376 0.030 1 159 21 21 ALA HA H 3.679 0.030 1 160 21 21 ALA HB H 1.399 0.030 1 161 21 21 ALA C C 179.405 0.300 1 162 21 21 ALA CA C 55.205 0.300 1 163 21 21 ALA CB C 18.449 0.300 1 164 21 21 ALA N N 120.120 0.300 1 165 22 22 GLN H H 7.744 0.030 1 166 22 22 GLN HA H 4.045 0.030 1 167 22 22 GLN HB2 H 2.022 0.030 2 168 22 22 GLN HB3 H 2.294 0.030 2 169 22 22 GLN HE21 H 6.853 0.030 2 170 22 22 GLN HE22 H 7.603 0.030 2 171 22 22 GLN HG2 H 2.392 0.030 1 172 22 22 GLN HG3 H 2.392 0.030 1 173 22 22 GLN C C 175.857 0.300 1 174 22 22 GLN CA C 56.835 0.300 1 175 22 22 GLN CB C 27.162 0.300 1 176 22 22 GLN CG C 33.841 0.300 1 177 22 22 GLN N N 115.108 0.300 1 178 22 22 GLN NE2 N 112.394 0.300 1 179 23 23 GLY H H 8.906 0.030 1 180 23 23 GLY HA2 H 3.679 0.030 2 181 23 23 GLY HA3 H 4.160 0.030 2 182 23 23 GLY C C 174.940 0.300 1 183 23 23 GLY CA C 45.334 0.300 1 184 23 23 GLY N N 106.269 0.300 1 185 24 24 ARG H H 7.300 0.030 1 186 24 24 ARG HA H 4.281 0.030 1 187 24 24 ARG HB2 H 1.779 0.030 2 188 24 24 ARG HB3 H 2.081 0.030 2 189 24 24 ARG HD2 H 2.862 0.030 2 190 24 24 ARG HD3 H 3.429 0.030 2 191 24 24 ARG HE H 7.063 0.030 1 192 24 24 ARG HG2 H 1.757 0.030 2 193 24 24 ARG HG3 H 1.819 0.030 2 194 24 24 ARG C C 174.883 0.300 1 195 24 24 ARG CA C 56.002 0.300 1 196 24 24 ARG CB C 31.630 0.300 1 197 24 24 ARG CD C 43.858 0.300 1 198 24 24 ARG CG C 27.639 0.300 1 199 24 24 ARG N N 119.329 0.300 1 200 24 24 ARG NE N 84.960 0.300 1 201 25 25 GLN H H 8.233 0.030 1 202 25 25 GLN HA H 4.171 0.030 1 203 25 25 GLN HB2 H 1.970 0.030 2 204 25 25 GLN HB3 H 2.006 0.030 2 205 25 25 GLN HE21 H 6.791 0.030 2 206 25 25 GLN HE22 H 7.942 0.030 2 207 25 25 GLN HG2 H 2.251 0.030 2 208 25 25 GLN HG3 H 2.340 0.030 2 209 25 25 GLN C C 174.949 0.300 1 210 25 25 GLN CA C 56.157 0.300 1 211 25 25 GLN CB C 29.369 0.300 1 212 25 25 GLN CG C 33.483 0.300 1 213 25 25 GLN N N 119.956 0.300 1 214 25 25 GLN NE2 N 112.936 0.300 1 215 26 26 ILE H H 8.171 0.030 1 216 26 26 ILE HA H 5.041 0.030 1 217 26 26 ILE HB H 1.499 0.030 1 218 26 26 ILE HD1 H 0.662 0.030 1 219 26 26 ILE HG12 H 0.617 0.030 2 220 26 26 ILE HG13 H 1.537 0.030 2 221 26 26 ILE HG2 H 0.488 0.030 1 222 26 26 ILE C C 176.389 0.300 1 223 26 26 ILE CA C 59.522 0.300 1 224 26 26 ILE CB C 39.967 0.300 1 225 26 26 ILE CD1 C 13.967 0.300 1 226 26 26 ILE CG1 C 27.166 0.300 1 227 26 26 ILE CG2 C 18.048 0.300 1 228 26 26 ILE N N 124.556 0.300 1 229 27 27 GLU H H 8.689 0.030 1 230 27 27 GLU HA H 4.777 0.030 1 231 27 27 GLU HB2 H 1.398 0.030 2 232 27 27 GLU HB3 H 1.814 0.030 2 233 27 27 GLU HG2 H 1.979 0.030 2 234 27 27 GLU HG3 H 2.096 0.030 2 235 27 27 GLU C C 173.791 0.300 1 236 27 27 GLU CA C 53.900 0.300 1 237 27 27 GLU CB C 33.047 0.300 1 238 27 27 GLU CG C 34.898 0.300 1 239 27 27 GLU N N 124.519 0.300 1 240 28 28 TYR H H 8.878 0.030 1 241 28 28 TYR HA H 4.852 0.030 1 242 28 28 TYR HB2 H 2.743 0.030 2 243 28 28 TYR HB3 H 2.981 0.030 2 244 28 28 TYR HD1 H 7.086 0.030 1 245 28 28 TYR HD2 H 7.086 0.030 1 246 28 28 TYR HE1 H 6.733 0.030 1 247 28 28 TYR HE2 H 6.733 0.030 1 248 28 28 TYR C C 175.401 0.300 1 249 28 28 TYR CA C 56.850 0.300 1 250 28 28 TYR CB C 38.559 0.300 1 251 28 28 TYR CD1 C 132.994 0.300 1 252 28 28 TYR CD2 C 132.994 0.300 1 253 28 28 TYR CE1 C 117.667 0.300 1 254 28 28 TYR CE2 C 117.667 0.300 1 255 28 28 TYR N N 123.905 0.300 1 256 29 29 ILE H H 8.988 0.030 1 257 29 29 ILE HA H 4.298 0.030 1 258 29 29 ILE HB H 1.633 0.030 1 259 29 29 ILE HD1 H 0.535 0.030 1 260 29 29 ILE HG12 H 0.956 0.030 2 261 29 29 ILE HG13 H 1.228 0.030 2 262 29 29 ILE HG2 H 0.729 0.030 1 263 29 29 ILE C C 173.767 0.300 1 264 29 29 ILE CA C 60.041 0.300 1 265 29 29 ILE CB C 41.145 0.300 1 266 29 29 ILE CD1 C 13.618 0.300 1 267 29 29 ILE CG1 C 27.427 0.300 1 268 29 29 ILE CG2 C 17.739 0.300 1 269 29 29 ILE N N 124.959 0.300 1 270 30 30 ASP H H 8.497 0.030 1 271 30 30 ASP HA H 5.445 0.030 1 272 30 30 ASP HB2 H 2.535 0.030 1 273 30 30 ASP HB3 H 2.535 0.030 1 274 30 30 ASP C C 175.538 0.300 1 275 30 30 ASP CA C 53.590 0.300 1 276 30 30 ASP CB C 42.097 0.300 1 277 30 30 ASP N N 128.004 0.300 1 278 31 31 ILE H H 8.999 0.030 1 279 31 31 ILE HA H 4.437 0.030 1 280 31 31 ILE HB H 1.973 0.030 1 281 31 31 ILE HD1 H 0.829 0.030 1 282 31 31 ILE HG12 H 1.239 0.030 2 283 31 31 ILE HG13 H 1.443 0.030 2 284 31 31 ILE HG2 H 0.955 0.030 1 285 31 31 ILE C C 174.911 0.300 1 286 31 31 ILE CA C 59.255 0.300 1 287 31 31 ILE CB C 40.260 0.300 1 288 31 31 ILE CD1 C 12.851 0.300 1 289 31 31 ILE CG1 C 27.152 0.300 1 290 31 31 ILE CG2 C 17.474 0.300 1 291 31 31 ILE N N 123.432 0.300 1 292 32 32 GLU H H 8.572 0.030 1 293 32 32 GLU HA H 4.491 0.030 1 294 32 32 GLU HB2 H 1.968 0.030 2 295 32 32 GLU HB3 H 1.896 0.030 2 296 32 32 GLU HG2 H 2.167 0.030 2 297 32 32 GLU HG3 H 2.219 0.030 2 298 32 32 GLU C C 175.674 0.300 1 299 32 32 GLU CA C 55.269 0.300 1 300 32 32 GLU CB C 30.347 0.300 1 301 32 32 GLU CG C 36.007 0.300 1 302 32 32 GLU N N 127.199 0.300 1 303 33 33 ARG H H 8.572 0.030 1 304 33 33 ARG HA H 4.471 0.030 1 305 33 33 ARG HB2 H 1.662 0.030 2 306 33 33 ARG HB3 H 1.860 0.030 2 307 33 33 ARG HD2 H 3.177 0.030 2 308 33 33 ARG HD3 H 3.218 0.030 2 309 33 33 ARG HE H 7.225 0.030 1 310 33 33 ARG HG2 H 1.652 0.030 1 311 33 33 ARG HG3 H 1.652 0.030 1 312 33 33 ARG C C 171.737 0.300 1 313 33 33 ARG CA C 54.102 0.300 1 314 33 33 ARG CB C 30.185 0.300 1 315 33 33 ARG CD C 43.403 0.300 1 316 33 33 ARG CG C 27.400 0.300 1 317 33 33 ARG N N 125.455 0.300 1 318 33 33 ARG NE N 84.629 0.300 1 319 34 34 PRO HA H 4.613 0.030 1 320 34 34 PRO HB2 H 2.077 0.030 2 321 34 34 PRO HB3 H 2.357 0.030 2 322 34 34 PRO HD2 H 3.635 0.030 2 323 34 34 PRO HD3 H 3.824 0.030 2 324 34 34 PRO HG2 H 1.966 0.030 1 325 34 34 PRO HG3 H 1.966 0.030 1 326 34 34 PRO CA C 62.581 0.300 1 327 34 34 PRO CB C 32.484 0.300 1 328 34 34 PRO CD C 50.644 0.300 1 329 34 34 PRO CG C 27.288 0.300 1 330 35 35 SER HA H 4.262 0.030 1 331 35 35 SER HB2 H 3.979 0.030 1 332 35 35 SER HB3 H 3.979 0.030 1 333 35 35 SER C C 175.146 0.300 1 334 35 35 SER CA C 60.409 0.300 1 335 35 35 SER CB C 63.071 0.300 1 336 36 36 THR H H 7.482 0.030 1 337 36 36 THR HA H 4.392 0.030 1 338 36 36 THR HB H 4.332 0.030 1 339 36 36 THR HG2 H 1.187 0.030 1 340 36 36 THR C C 174.826 0.300 1 341 36 36 THR CA C 61.270 0.300 1 342 36 36 THR CB C 69.749 0.300 1 343 36 36 THR CG2 C 21.491 0.300 1 344 36 36 THR N N 109.997 0.300 1 345 37 37 GLY H H 8.098 0.030 1 346 37 37 GLY HA2 H 3.844 0.030 2 347 37 37 GLY HA3 H 4.254 0.030 2 348 37 37 GLY C C 174.314 0.300 1 349 37 37 GLY CA C 44.886 0.300 1 350 37 37 GLY N N 109.646 0.300 1 351 38 38 GLY H H 8.227 0.030 1 352 38 38 GLY HA2 H 3.964 0.030 2 353 38 38 GLY HA3 H 4.032 0.030 2 354 38 38 GLY C C 173.814 0.300 1 355 38 38 GLY CA C 44.580 0.300 1 356 38 38 GLY N N 107.933 0.300 1 357 39 39 LEU H H 8.371 0.030 1 358 39 39 LEU HA H 4.071 0.030 1 359 39 39 LEU HB2 H 1.079 0.030 2 360 39 39 LEU HB3 H 1.313 0.030 2 361 39 39 LEU HD1 H 0.665 0.030 1 362 39 39 LEU HD2 H 0.680 0.030 1 363 39 39 LEU HG H 1.423 0.030 1 364 39 39 LEU C C 177.353 0.300 1 365 39 39 LEU CA C 56.120 0.300 1 366 39 39 LEU CB C 43.179 0.300 1 367 39 39 LEU CD1 C 25.334 0.300 2 368 39 39 LEU CD2 C 23.464 0.300 2 369 39 39 LEU CG C 26.973 0.300 1 370 39 39 LEU N N 119.005 0.300 1 371 40 40 GLY H H 8.464 0.030 1 372 40 40 GLY HA2 H 3.706 0.030 2 373 40 40 GLY HA3 H 4.318 0.030 2 374 40 40 GLY C C 172.750 0.300 1 375 40 40 GLY CA C 45.261 0.300 1 376 40 40 GLY N N 103.676 0.300 1 377 41 41 PHE H H 7.134 0.030 1 378 41 41 PHE HA H 5.139 0.030 1 379 41 41 PHE HB2 H 3.128 0.030 1 380 41 41 PHE HB3 H 3.128 0.030 1 381 41 41 PHE HD1 H 6.963 0.030 1 382 41 41 PHE HD2 H 6.963 0.030 1 383 41 41 PHE HE1 H 6.930 0.030 1 384 41 41 PHE HE2 H 6.930 0.030 1 385 41 41 PHE HZ H 6.888 0.030 1 386 41 41 PHE C C 172.892 0.300 1 387 41 41 PHE CA C 55.478 0.300 1 388 41 41 PHE CB C 40.184 0.300 1 389 41 41 PHE CD1 C 132.965 0.300 1 390 41 41 PHE CD2 C 132.965 0.300 1 391 41 41 PHE CE1 C 130.153 0.300 1 392 41 41 PHE CE2 C 130.153 0.300 1 393 41 41 PHE CZ C 128.263 0.300 1 394 41 41 PHE N N 112.734 0.300 1 395 42 42 SER H H 8.968 0.030 1 396 42 42 SER HA H 4.902 0.030 1 397 42 42 SER HB2 H 3.834 0.030 2 398 42 42 SER HB3 H 3.900 0.030 2 399 42 42 SER C C 173.202 0.300 1 400 42 42 SER CA C 56.431 0.300 1 401 42 42 SER CB C 65.604 0.300 1 402 42 42 SER N N 115.665 0.300 1 403 43 43 VAL H H 8.547 0.030 1 404 43 43 VAL HA H 5.586 0.030 1 405 43 43 VAL HB H 2.067 0.030 1 406 43 43 VAL HG1 H 0.876 0.030 1 407 43 43 VAL HG2 H 0.758 0.030 1 408 43 43 VAL C C 175.657 0.300 1 409 43 43 VAL CA C 59.126 0.300 1 410 43 43 VAL CB C 35.250 0.300 1 411 43 43 VAL CG1 C 22.576 0.300 2 412 43 43 VAL CG2 C 18.862 0.300 2 413 43 43 VAL N N 114.734 0.300 1 414 44 44 VAL H H 9.218 0.030 1 415 44 44 VAL HA H 4.537 0.030 1 416 44 44 VAL HB H 1.979 0.030 1 417 44 44 VAL HG1 H 0.913 0.030 1 418 44 44 VAL HG2 H 0.908 0.030 1 419 44 44 VAL C C 172.712 0.300 1 420 44 44 VAL CA C 59.923 0.300 1 421 44 44 VAL CB C 35.423 0.300 1 422 44 44 VAL CG1 C 21.000 0.300 2 423 44 44 VAL CG2 C 20.370 0.300 2 424 44 44 VAL N N 120.348 0.300 1 425 45 45 ALA H H 8.419 0.030 1 426 45 45 ALA HA H 5.361 0.030 1 427 45 45 ALA HB H 0.963 0.030 1 428 45 45 ALA C C 176.403 0.300 1 429 45 45 ALA CA C 49.815 0.300 1 430 45 45 ALA CB C 20.173 0.300 1 431 45 45 ALA N N 127.417 0.300 1 432 46 46 LEU H H 9.168 0.030 1 433 46 46 LEU HA H 4.738 0.030 1 434 46 46 LEU HB2 H 1.642 0.030 2 435 46 46 LEU HB3 H 1.674 0.030 2 436 46 46 LEU HD1 H 0.694 0.030 1 437 46 46 LEU HD2 H 0.824 0.030 1 438 46 46 LEU HG H 1.542 0.030 1 439 46 46 LEU C C 176.065 0.300 1 440 46 46 LEU CA C 53.572 0.300 1 441 46 46 LEU CB C 45.036 0.300 1 442 46 46 LEU CD1 C 24.814 0.300 2 443 46 46 LEU CD2 C 23.835 0.300 2 444 46 46 LEU CG C 27.150 0.300 1 445 46 46 LEU N N 124.932 0.300 1 446 47 47 ARG H H 8.724 0.030 1 447 47 47 ARG HA H 4.432 0.030 1 448 47 47 ARG HB2 H 1.817 0.030 2 449 47 47 ARG HB3 H 1.745 0.030 2 450 47 47 ARG HD2 H 3.170 0.030 1 451 47 47 ARG HD3 H 3.170 0.030 1 452 47 47 ARG HG2 H 1.622 0.030 1 453 47 47 ARG HG3 H 1.622 0.030 1 454 47 47 ARG C C 176.213 0.300 1 455 47 47 ARG CA C 56.549 0.300 1 456 47 47 ARG CB C 30.532 0.300 1 457 47 47 ARG CD C 43.392 0.300 1 458 47 47 ARG CG C 27.294 0.300 1 459 47 47 ARG N N 124.068 0.300 1 460 48 48 SER H H 8.495 0.030 1 461 48 48 SER HA H 4.490 0.030 1 462 48 48 SER HB2 H 3.854 0.030 2 463 48 48 SER HB3 H 3.906 0.030 2 464 48 48 SER C C 175.430 0.300 1 465 48 48 SER CA C 57.760 0.300 1 466 48 48 SER CB C 63.999 0.300 1 467 48 48 SER N N 120.515 0.300 1 468 49 49 GLN H H 8.793 0.030 1 469 49 49 GLN HA H 4.198 0.030 1 470 49 49 GLN HB2 H 2.155 0.030 2 471 49 49 GLN HB3 H 2.037 0.030 2 472 49 49 GLN HE21 H 6.865 0.030 2 473 49 49 GLN HE22 H 7.583 0.030 2 474 49 49 GLN HG2 H 2.405 0.030 1 475 49 49 GLN HG3 H 2.405 0.030 1 476 49 49 GLN C C 176.627 0.300 1 477 49 49 GLN CA C 57.391 0.300 1 478 49 49 GLN CB C 28.782 0.300 1 479 49 49 GLN CG C 33.831 0.300 1 480 49 49 GLN N N 122.943 0.300 1 481 49 49 GLN NE2 N 112.501 0.300 1 482 50 50 ASN H H 8.469 0.030 1 483 50 50 ASN HA H 4.668 0.030 1 484 50 50 ASN HB2 H 2.762 0.030 2 485 50 50 ASN HB3 H 2.813 0.030 2 486 50 50 ASN HD21 H 6.983 0.030 2 487 50 50 ASN HD22 H 7.646 0.030 2 488 50 50 ASN C C 175.077 0.300 1 489 50 50 ASN CA C 53.569 0.300 1 490 50 50 ASN CB C 38.567 0.300 1 491 50 50 ASN N N 117.162 0.300 1 492 50 50 ASN ND2 N 113.267 0.300 1 493 51 51 LEU H H 8.194 0.030 1 494 51 51 LEU HA H 4.220 0.030 1 495 51 51 LEU HB2 H 1.591 0.030 2 496 51 51 LEU HB3 H 1.751 0.030 2 497 51 51 LEU HD1 H 0.924 0.030 1 498 51 51 LEU HD2 H 0.878 0.030 1 499 51 51 LEU HG H 1.604 0.030 1 500 51 51 LEU C C 177.804 0.300 1 501 51 51 LEU CA C 55.883 0.300 1 502 51 51 LEU CB C 41.885 0.300 1 503 51 51 LEU CD1 C 25.049 0.300 2 504 51 51 LEU CD2 C 23.179 0.300 2 505 51 51 LEU CG C 26.929 0.300 1 506 51 51 LEU N N 119.970 0.300 1 507 52 52 GLY H H 8.250 0.030 1 508 52 52 GLY HA2 H 3.911 0.030 1 509 52 52 GLY HA3 H 3.911 0.030 1 510 52 52 GLY C C 173.662 0.300 1 511 52 52 GLY CA C 45.758 0.300 1 512 52 52 GLY N N 108.838 0.300 1 513 53 53 LYS H H 7.637 0.030 1 514 53 53 LYS HA H 4.576 0.030 1 515 53 53 LYS HB2 H 1.799 0.030 1 516 53 53 LYS HB3 H 1.799 0.030 1 517 53 53 LYS HD2 H 1.623 0.030 1 518 53 53 LYS HD3 H 1.623 0.030 1 519 53 53 LYS HE2 H 2.994 0.030 1 520 53 53 LYS HE3 H 2.994 0.030 1 521 53 53 LYS HG2 H 1.309 0.030 1 522 53 53 LYS HG3 H 1.309 0.030 1 523 53 53 LYS C C 175.168 0.300 1 524 53 53 LYS CA C 55.221 0.300 1 525 53 53 LYS CB C 34.144 0.300 1 526 53 53 LYS CD C 29.114 0.300 1 527 53 53 LYS CE C 42.196 0.300 1 528 53 53 LYS CG C 24.218 0.300 1 529 53 53 LYS N N 118.675 0.300 1 530 54 54 VAL H H 8.484 0.030 1 531 54 54 VAL HA H 4.368 0.030 1 532 54 54 VAL HB H 1.856 0.030 1 533 54 54 VAL HG1 H 0.621 0.030 1 534 54 54 VAL HG2 H 0.777 0.030 1 535 54 54 VAL C C 173.990 0.300 1 536 54 54 VAL CA C 61.363 0.300 1 537 54 54 VAL CB C 33.455 0.300 1 538 54 54 VAL CG1 C 21.744 0.300 2 539 54 54 VAL CG2 C 20.645 0.300 2 540 54 54 VAL N N 121.425 0.300 1 541 55 55 ASP H H 8.656 0.030 1 542 55 55 ASP HA H 4.714 0.030 1 543 55 55 ASP HB2 H 2.176 0.030 2 544 55 55 ASP HB3 H 2.640 0.030 2 545 55 55 ASP C C 174.066 0.300 1 546 55 55 ASP CA C 53.062 0.300 1 547 55 55 ASP CB C 44.477 0.300 1 548 55 55 ASP N N 127.287 0.300 1 549 56 56 ILE H H 8.835 0.030 1 550 56 56 ILE HA H 4.940 0.030 1 551 56 56 ILE HB H 1.851 0.030 1 552 56 56 ILE HD1 H 0.675 0.030 1 553 56 56 ILE HG12 H 1.317 0.030 1 554 56 56 ILE HG13 H 1.317 0.030 1 555 56 56 ILE HG2 H 0.724 0.030 1 556 56 56 ILE C C 174.394 0.300 1 557 56 56 ILE CA C 58.547 0.300 1 558 56 56 ILE CB C 37.624 0.300 1 559 56 56 ILE CD1 C 11.211 0.300 1 560 56 56 ILE CG1 C 26.901 0.300 1 561 56 56 ILE CG2 C 17.837 0.300 1 562 56 56 ILE N N 120.953 0.300 1 563 57 57 PHE H H 9.002 0.030 1 564 57 57 PHE HA H 5.501 0.030 1 565 57 57 PHE HB2 H 2.662 0.030 2 566 57 57 PHE HB3 H 2.830 0.030 2 567 57 57 PHE HD1 H 7.045 0.030 1 568 57 57 PHE HD2 H 7.045 0.030 1 569 57 57 PHE HE1 H 7.316 0.030 1 570 57 57 PHE HE2 H 7.316 0.030 1 571 57 57 PHE HZ H 7.252 0.030 1 572 57 57 PHE C C 175.558 0.300 1 573 57 57 PHE CA C 55.756 0.300 1 574 57 57 PHE CB C 43.424 0.300 1 575 57 57 PHE CD1 C 131.621 0.300 1 576 57 57 PHE CD2 C 131.621 0.300 1 577 57 57 PHE CE1 C 131.565 0.300 1 578 57 57 PHE CE2 C 131.565 0.300 1 579 57 57 PHE CZ C 129.329 0.300 1 580 57 57 PHE N N 124.187 0.300 1 581 58 58 VAL H H 8.952 0.030 1 582 58 58 VAL HA H 4.411 0.030 1 583 58 58 VAL HB H 2.118 0.030 1 584 58 58 VAL HG1 H 0.619 0.030 1 585 58 58 VAL HG2 H 0.773 0.030 1 586 58 58 VAL C C 175.714 0.300 1 587 58 58 VAL CA C 62.676 0.300 1 588 58 58 VAL CB C 32.639 0.300 1 589 58 58 VAL CG1 C 22.144 0.300 2 590 58 58 VAL CG2 C 21.740 0.300 2 591 58 58 VAL N N 119.971 0.300 1 592 59 59 LYS H H 9.031 0.030 1 593 59 59 LYS HA H 4.638 0.030 1 594 59 59 LYS HB2 H 1.512 0.030 2 595 59 59 LYS HB3 H 1.739 0.030 2 596 59 59 LYS HD2 H 1.647 0.030 1 597 59 59 LYS HD3 H 1.647 0.030 1 598 59 59 LYS HE2 H 2.884 0.030 2 599 59 59 LYS HE3 H 2.919 0.030 2 600 59 59 LYS HG2 H 1.310 0.030 1 601 59 59 LYS HG3 H 1.310 0.030 1 602 59 59 LYS C C 174.132 0.300 1 603 59 59 LYS CA C 54.732 0.300 1 604 59 59 LYS CB C 35.931 0.300 1 605 59 59 LYS CD C 28.788 0.300 1 606 59 59 LYS CE C 42.073 0.300 1 607 59 59 LYS CG C 24.457 0.300 1 608 59 59 LYS N N 128.981 0.300 1 609 60 60 ASP H H 9.082 0.030 1 610 60 60 ASP HA H 4.459 0.030 1 611 60 60 ASP HB2 H 2.639 0.030 2 612 60 60 ASP HB3 H 2.707 0.030 2 613 60 60 ASP C C 175.406 0.300 1 614 60 60 ASP CA C 54.129 0.300 1 615 60 60 ASP CB C 40.550 0.300 1 616 60 60 ASP N N 119.702 0.300 1 617 61 61 VAL H H 8.627 0.030 1 618 61 61 VAL HA H 4.129 0.030 1 619 61 61 VAL HB H 1.922 0.030 1 620 61 61 VAL HG1 H 0.801 0.030 1 621 61 61 VAL HG2 H 0.605 0.030 1 622 61 61 VAL C C 177.108 0.300 1 623 61 61 VAL CA C 62.920 0.300 1 624 61 61 VAL CB C 32.191 0.300 1 625 61 61 VAL CG1 C 21.394 0.300 2 626 61 61 VAL CG2 C 21.307 0.300 2 627 61 61 VAL N N 120.410 0.300 1 628 62 62 GLN H H 8.848 0.030 1 629 62 62 GLN HA H 4.522 0.030 1 630 62 62 GLN HB2 H 1.976 0.030 2 631 62 62 GLN HB3 H 2.090 0.030 2 632 62 62 GLN HE21 H 6.851 0.030 2 633 62 62 GLN HE22 H 7.533 0.030 2 634 62 62 GLN HG2 H 2.403 0.030 1 635 62 62 GLN HG3 H 2.403 0.030 1 636 62 62 GLN CA C 53.734 0.300 1 637 62 62 GLN CB C 28.509 0.300 1 638 62 62 GLN CG C 33.259 0.300 1 639 62 62 GLN N N 129.708 0.300 1 640 62 62 GLN NE2 N 112.886 0.300 1 641 63 63 PRO HA H 4.431 0.030 1 642 63 63 PRO HB2 H 1.959 0.030 2 643 63 63 PRO HB3 H 2.343 0.030 2 644 63 63 PRO HD2 H 3.693 0.030 2 645 63 63 PRO HD3 H 4.022 0.030 2 646 63 63 PRO HG2 H 2.043 0.030 2 647 63 63 PRO HG3 H 2.120 0.030 2 648 63 63 PRO CA C 63.442 0.300 1 649 63 63 PRO CB C 31.981 0.300 1 650 63 63 PRO CD C 51.021 0.300 1 651 63 63 PRO CG C 27.496 0.300 1 652 64 64 GLY H H 9.307 0.030 1 653 64 64 GLY HA2 H 3.946 0.030 2 654 64 64 GLY HA3 H 4.099 0.030 2 655 64 64 GLY C C 174.253 0.300 1 656 64 64 GLY CA C 45.335 0.300 1 657 65 65 SER H H 8.124 0.030 1 658 65 65 SER HA H 4.538 0.030 1 659 65 65 SER HB2 H 3.975 0.030 2 660 65 65 SER HB3 H 4.247 0.030 2 661 65 65 SER C C 175.310 0.300 1 662 65 65 SER CA C 58.229 0.300 1 663 65 65 SER CB C 65.025 0.300 1 664 65 65 SER N N 115.833 0.300 1 665 66 66 VAL H H 8.487 0.030 1 666 66 66 VAL HA H 3.993 0.030 1 667 66 66 VAL HB H 2.197 0.030 1 668 66 66 VAL HG1 H 1.046 0.030 1 669 66 66 VAL HG2 H 1.058 0.030 1 670 66 66 VAL C C 176.930 0.300 1 671 66 66 VAL CA C 64.357 0.300 1 672 66 66 VAL CB C 31.998 0.300 1 673 66 66 VAL CG1 C 21.513 0.300 2 674 66 66 VAL CG2 C 20.963 0.300 2 675 66 66 VAL N N 120.237 0.300 1 676 67 67 ALA H H 8.166 0.030 1 677 67 67 ALA HA H 4.221 0.030 1 678 67 67 ALA HB H 1.450 0.030 1 679 67 67 ALA C C 177.757 0.300 1 680 67 67 ALA CA C 53.671 0.300 1 681 67 67 ALA CB C 19.103 0.300 1 682 67 67 ALA N N 123.262 0.300 1 683 68 68 ASP H H 7.839 0.030 1 684 68 68 ASP HA H 4.525 0.030 1 685 68 68 ASP HB2 H 2.689 0.030 2 686 68 68 ASP HB3 H 2.759 0.030 2 687 68 68 ASP C C 176.826 0.300 1 688 68 68 ASP CA C 54.893 0.300 1 689 68 68 ASP CB C 42.314 0.300 1 690 68 68 ASP N N 117.762 0.300 1 691 69 69 ARG H H 8.091 0.030 1 692 69 69 ARG HA H 4.168 0.030 1 693 69 69 ARG HB2 H 1.854 0.030 2 694 69 69 ARG HB3 H 1.896 0.030 2 695 69 69 ARG HD2 H 3.219 0.030 1 696 69 69 ARG HD3 H 3.219 0.030 1 697 69 69 ARG HG2 H 1.636 0.030 2 698 69 69 ARG HG3 H 1.696 0.030 2 699 69 69 ARG C C 176.954 0.300 1 700 69 69 ARG CA C 57.496 0.300 1 701 69 69 ARG CB C 30.461 0.300 1 702 69 69 ARG CD C 43.396 0.300 1 703 69 69 ARG CG C 26.931 0.300 1 704 69 69 ARG N N 119.765 0.300 1 705 70 70 ASP H H 8.408 0.030 1 706 70 70 ASP HA H 4.510 0.030 1 707 70 70 ASP HB2 H 2.696 0.030 2 708 70 70 ASP HB3 H 2.720 0.030 2 709 70 70 ASP C C 176.045 0.300 1 710 70 70 ASP CA C 55.441 0.300 1 711 70 70 ASP CB C 41.209 0.300 1 712 70 70 ASP N N 119.404 0.300 1 713 71 71 GLN H H 8.024 0.030 1 714 71 71 GLN HA H 4.244 0.030 1 715 71 71 GLN HB2 H 2.145 0.030 1 716 71 71 GLN HB3 H 2.145 0.030 1 717 71 71 GLN HE21 H 6.871 0.030 2 718 71 71 GLN HE22 H 7.687 0.030 2 719 71 71 GLN HG2 H 2.362 0.030 2 720 71 71 GLN HG3 H 2.446 0.030 2 721 71 71 GLN C C 175.422 0.300 1 722 71 71 GLN CA C 56.326 0.300 1 723 71 71 GLN CB C 28.131 0.300 1 724 71 71 GLN CG C 34.239 0.300 1 725 71 71 GLN NE2 N 113.102 0.300 1 726 72 72 ARG H H 7.999 0.030 1 727 72 72 ARG HA H 4.321 0.030 1 728 72 72 ARG HB2 H 1.786 0.030 1 729 72 72 ARG HB3 H 1.786 0.030 1 730 72 72 ARG HD2 H 3.237 0.030 1 731 72 72 ARG HD3 H 3.237 0.030 1 732 72 72 ARG HG2 H 1.621 0.030 2 733 72 72 ARG HG3 H 1.659 0.030 2 734 72 72 ARG C C 176.099 0.300 1 735 72 72 ARG CA C 56.596 0.300 1 736 72 72 ARG CB C 31.788 0.300 1 737 72 72 ARG CD C 43.419 0.300 1 738 72 72 ARG CG C 26.931 0.300 1 739 72 72 ARG N N 119.249 0.300 1 740 73 73 LEU H H 8.305 0.030 1 741 73 73 LEU HA H 4.006 0.030 1 742 73 73 LEU HB2 H 1.220 0.030 1 743 73 73 LEU HB3 H 1.220 0.030 1 744 73 73 LEU HD1 H 0.335 0.030 1 745 73 73 LEU HD2 H 0.248 0.030 1 746 73 73 LEU HG H 1.261 0.030 1 747 73 73 LEU C C 175.064 0.300 1 748 73 73 LEU CA C 54.621 0.300 1 749 73 73 LEU CB C 44.154 0.300 1 750 73 73 LEU CD1 C 25.091 0.300 2 751 73 73 LEU CD2 C 24.847 0.300 2 752 73 73 LEU CG C 26.531 0.300 1 753 73 73 LEU N N 121.499 0.300 1 754 74 74 LYS H H 8.634 0.030 1 755 74 74 LYS HA H 4.470 0.030 1 756 74 74 LYS HB2 H 1.687 0.030 2 757 74 74 LYS HB3 H 1.734 0.030 2 758 74 74 LYS HD2 H 1.477 0.030 2 759 74 74 LYS HD3 H 1.581 0.030 2 760 74 74 LYS HE2 H 2.859 0.030 2 761 74 74 LYS HE3 H 2.936 0.030 2 762 74 74 LYS HG2 H 1.276 0.030 1 763 74 74 LYS HG3 H 1.276 0.030 1 764 74 74 LYS C C 175.130 0.300 1 765 74 74 LYS CA C 53.959 0.300 1 766 74 74 LYS CB C 35.924 0.300 1 767 74 74 LYS CD C 28.990 0.300 1 768 74 74 LYS CE C 42.375 0.300 1 769 74 74 LYS CG C 24.939 0.300 1 770 74 74 LYS N N 122.578 0.300 1 771 75 75 GLU H H 8.377 0.030 1 772 75 75 GLU HA H 3.577 0.030 1 773 75 75 GLU HB2 H 1.888 0.030 2 774 75 75 GLU HB3 H 1.982 0.030 2 775 75 75 GLU HG2 H 2.355 0.030 1 776 75 75 GLU HG3 H 2.355 0.030 1 777 75 75 GLU C C 178.108 0.300 1 778 75 75 GLU CA C 58.062 0.300 1 779 75 75 GLU CB C 29.238 0.300 1 780 75 75 GLU CG C 35.426 0.300 1 781 75 75 GLU N N 119.859 0.300 1 782 76 76 ASN H H 9.091 0.030 1 783 76 76 ASN HA H 4.350 0.030 1 784 76 76 ASN HB2 H 3.116 0.030 2 785 76 76 ASN HB3 H 3.175 0.030 2 786 76 76 ASN HD21 H 6.848 0.030 2 787 76 76 ASN HD22 H 7.635 0.030 2 788 76 76 ASN C C 174.555 0.300 1 789 76 76 ASN CA C 55.871 0.300 1 790 76 76 ASN CB C 37.409 0.300 1 791 76 76 ASN N N 119.175 0.300 1 792 76 76 ASN ND2 N 113.683 0.300 1 793 77 77 ASP H H 8.005 0.030 1 794 77 77 ASP HA H 4.695 0.030 1 795 77 77 ASP HB2 H 2.131 0.030 2 796 77 77 ASP HB3 H 2.562 0.030 2 797 77 77 ASP C C 175.786 0.300 1 798 77 77 ASP CA C 56.026 0.300 1 799 77 77 ASP CB C 40.878 0.300 1 800 77 77 ASP N N 121.814 0.300 1 801 78 78 GLN H H 8.833 0.030 1 802 78 78 GLN HA H 4.621 0.030 1 803 78 78 GLN HB2 H 1.620 0.030 2 804 78 78 GLN HB3 H 1.780 0.030 2 805 78 78 GLN HE21 H 6.674 0.030 2 806 78 78 GLN HE22 H 7.963 0.030 2 807 78 78 GLN HG2 H 1.723 0.030 2 808 78 78 GLN HG3 H 1.297 0.030 2 809 78 78 GLN C C 176.678 0.300 1 810 78 78 GLN CA C 53.685 0.300 1 811 78 78 GLN CB C 29.846 0.300 1 812 78 78 GLN CG C 32.521 0.300 1 813 78 78 GLN N N 122.395 0.300 1 814 78 78 GLN NE2 N 112.545 0.300 1 815 79 79 ILE H H 8.655 0.030 1 816 79 79 ILE HA H 3.905 0.030 1 817 79 79 ILE HB H 1.557 0.030 1 818 79 79 ILE HD1 H 0.720 0.030 1 819 79 79 ILE HG12 H 0.652 0.030 2 820 79 79 ILE HG13 H 1.533 0.030 2 821 79 79 ILE HG2 H 0.738 0.030 1 822 79 79 ILE C C 173.957 0.300 1 823 79 79 ILE CA C 62.880 0.300 1 824 79 79 ILE CB C 37.603 0.300 1 825 79 79 ILE CD1 C 13.390 0.300 1 826 79 79 ILE CG1 C 27.715 0.300 1 827 79 79 ILE CG2 C 19.057 0.300 1 828 79 79 ILE N N 126.260 0.300 1 829 80 80 LEU H H 9.407 0.030 1 830 80 80 LEU HA H 4.424 0.030 1 831 80 80 LEU HB2 H 1.315 0.030 2 832 80 80 LEU HB3 H 1.430 0.030 2 833 80 80 LEU HD1 H 0.657 0.030 1 834 80 80 LEU HD2 H 0.477 0.030 1 835 80 80 LEU HG H 1.552 0.030 1 836 80 80 LEU C C 176.317 0.300 1 837 80 80 LEU CA C 54.561 0.300 1 838 80 80 LEU CB C 42.541 0.300 1 839 80 80 LEU CD1 C 26.163 0.300 2 840 80 80 LEU CD2 C 21.335 0.300 2 841 80 80 LEU CG C 26.416 0.300 1 842 80 80 LEU N N 126.232 0.300 1 843 81 81 ALA H H 7.643 0.030 1 844 81 81 ALA HA H 4.853 0.030 1 845 81 81 ALA HB H 1.176 0.030 1 846 81 81 ALA C C 174.907 0.300 1 847 81 81 ALA CA C 51.621 0.300 1 848 81 81 ALA CB C 23.123 0.300 1 849 81 81 ALA N N 116.575 0.300 1 850 82 82 ILE H H 7.899 0.030 1 851 82 82 ILE HA H 4.334 0.030 1 852 82 82 ILE HB H 1.523 0.030 1 853 82 82 ILE HD1 H 0.866 0.030 1 854 82 82 ILE HG12 H 0.798 0.030 2 855 82 82 ILE HG13 H 1.469 0.030 2 856 82 82 ILE HG2 H 0.765 0.030 1 857 82 82 ILE C C 175.352 0.300 1 858 82 82 ILE CA C 60.166 0.300 1 859 82 82 ILE CB C 40.568 0.300 1 860 82 82 ILE CD1 C 15.598 0.300 1 861 82 82 ILE CG1 C 27.446 0.300 1 862 82 82 ILE CG2 C 17.547 0.300 1 863 82 82 ILE N N 118.618 0.300 1 864 83 83 ASN H H 9.828 0.030 1 865 83 83 ASN HA H 4.256 0.030 1 866 83 83 ASN HB2 H 2.928 0.030 2 867 83 83 ASN HB3 H 3.100 0.030 2 868 83 83 ASN HD21 H 6.999 0.030 2 869 83 83 ASN HD22 H 7.794 0.030 2 870 83 83 ASN CA C 55.265 0.300 1 871 83 83 ASN CB C 36.237 0.300 1 872 83 83 ASN N N 127.387 0.300 1 873 83 83 ASN ND2 N 112.548 0.300 1 874 84 84 HIS H H 8.539 0.030 1 875 84 84 HIS HA H 4.193 0.030 1 876 84 84 HIS HB2 H 2.952 0.030 2 877 84 84 HIS HB3 H 3.183 0.030 2 878 84 84 HIS HD2 H 6.684 0.030 1 879 84 84 HIS HE1 H 7.730 0.030 1 880 84 84 HIS CA C 55.875 0.300 1 881 84 84 HIS CB C 29.390 0.300 1 882 84 84 HIS CD2 C 119.291 0.300 1 883 84 84 HIS CE1 C 137.189 0.300 1 884 85 85 THR H H 8.314 0.030 1 885 85 85 THR HA H 4.830 0.030 1 886 85 85 THR HB H 4.287 0.030 1 887 85 85 THR HG2 H 1.184 0.030 1 888 85 85 THR CA C 60.057 0.300 1 889 85 85 THR CB C 70.412 0.300 1 890 85 85 THR CG2 C 21.188 0.300 1 891 86 86 PRO HA H 4.696 0.030 1 892 86 86 PRO HB2 H 1.779 0.030 2 893 86 86 PRO HB3 H 1.921 0.030 2 894 86 86 PRO HD2 H 4.028 0.030 2 895 86 86 PRO HD3 H 4.259 0.030 2 896 86 86 PRO HG2 H 1.871 0.030 2 897 86 86 PRO HG3 H 2.262 0.030 2 898 86 86 PRO C C 176.733 0.300 1 899 86 86 PRO CA C 61.417 0.300 1 900 86 86 PRO CB C 32.120 0.300 1 901 86 86 PRO CD C 51.245 0.300 1 902 86 86 PRO CG C 26.936 0.300 1 903 87 87 LEU H H 8.557 0.030 1 904 87 87 LEU HA H 4.494 0.030 1 905 87 87 LEU HB2 H 1.622 0.030 2 906 87 87 LEU HB3 H 1.517 0.030 2 907 87 87 LEU HD1 H 0.759 0.030 1 908 87 87 LEU HD2 H 0.704 0.030 1 909 87 87 LEU HG H 1.362 0.030 1 910 87 87 LEU C C 176.018 0.300 1 911 87 87 LEU CA C 53.246 0.300 1 912 87 87 LEU CB C 37.740 0.300 1 913 87 87 LEU CD1 C 25.299 0.300 2 914 87 87 LEU CD2 C 22.813 0.300 2 915 87 87 LEU CG C 27.547 0.300 1 916 87 87 LEU N N 124.729 0.300 1 917 88 88 ASP H H 7.581 0.030 1 918 88 88 ASP HA H 4.584 0.030 1 919 88 88 ASP HB2 H 2.472 0.030 2 920 88 88 ASP HB3 H 3.058 0.030 2 921 88 88 ASP C C 176.787 0.300 1 922 88 88 ASP CA C 52.839 0.300 1 923 88 88 ASP CB C 41.287 0.300 1 924 88 88 ASP N N 121.159 0.300 1 925 89 89 GLN H H 8.393 0.030 1 926 89 89 GLN HA H 4.294 0.030 1 927 89 89 GLN HB2 H 2.080 0.030 2 928 89 89 GLN HB3 H 2.154 0.030 2 929 89 89 GLN HE21 H 6.900 0.030 2 930 89 89 GLN HE22 H 7.600 0.030 2 931 89 89 GLN HG2 H 2.320 0.030 2 932 89 89 GLN HG3 H 2.373 0.030 2 933 89 89 GLN C C 176.014 0.300 1 934 89 89 GLN CA C 57.049 0.300 1 935 89 89 GLN CB C 28.302 0.300 1 936 89 89 GLN CG C 33.252 0.300 1 937 89 89 GLN N N 115.420 0.300 1 938 89 89 GLN NE2 N 112.760 0.300 1 939 90 90 ASN H H 8.377 0.030 1 940 90 90 ASN HA H 4.670 0.030 1 941 90 90 ASN HB2 H 2.826 0.030 2 942 90 90 ASN HB3 H 2.909 0.030 2 943 90 90 ASN HD21 H 7.010 0.030 2 944 90 90 ASN HD22 H 7.742 0.030 2 945 90 90 ASN C C 174.042 0.300 1 946 90 90 ASN CA C 54.162 0.300 1 947 90 90 ASN CB C 38.988 0.300 1 948 90 90 ASN N N 117.498 0.300 1 949 90 90 ASN ND2 N 115.366 0.300 1 950 91 91 ILE H H 7.545 0.030 1 951 91 91 ILE HA H 4.557 0.030 1 952 91 91 ILE HB H 1.963 0.030 1 953 91 91 ILE HD1 H 0.738 0.030 1 954 91 91 ILE HG12 H 1.520 0.030 2 955 91 91 ILE HG13 H 1.468 0.030 2 956 91 91 ILE HG2 H 0.914 0.030 1 957 91 91 ILE C C 174.147 0.300 1 958 91 91 ILE CA C 59.045 0.300 1 959 91 91 ILE CB C 39.264 0.300 1 960 91 91 ILE CD1 C 12.262 0.300 1 961 91 91 ILE CG1 C 27.685 0.300 1 962 91 91 ILE CG2 C 16.965 0.300 1 963 91 91 ILE N N 119.672 0.300 1 964 92 92 SER H H 8.408 0.030 1 965 92 92 SER HA H 4.643 0.030 1 966 92 92 SER HB2 H 3.991 0.030 2 967 92 92 SER HB3 H 4.369 0.030 2 968 92 92 SER C C 174.978 0.300 1 969 92 92 SER CA C 56.813 0.300 1 970 92 92 SER CB C 65.787 0.300 1 971 92 92 SER N N 121.278 0.300 1 972 93 93 HIS H H 9.081 0.030 1 973 93 93 HIS HA H 4.188 0.030 1 974 93 93 HIS HB2 H 3.036 0.030 2 975 93 93 HIS HB3 H 3.126 0.030 2 976 93 93 HIS HD2 H 6.732 0.030 1 977 93 93 HIS HE1 H 7.720 0.030 1 978 93 93 HIS C C 176.859 0.300 1 979 93 93 HIS CA C 59.875 0.300 1 980 93 93 HIS CB C 30.946 0.300 1 981 93 93 HIS CD2 C 117.648 0.300 1 982 93 93 HIS CE1 C 138.575 0.300 1 983 93 93 HIS N N 120.793 0.300 1 984 94 94 GLN H H 8.320 0.030 1 985 94 94 GLN HA H 3.786 0.030 1 986 94 94 GLN HB2 H 1.947 0.030 1 987 94 94 GLN HB3 H 1.947 0.030 1 988 94 94 GLN HE21 H 6.775 0.030 2 989 94 94 GLN HE22 H 7.433 0.030 2 990 94 94 GLN HG2 H 2.271 0.030 2 991 94 94 GLN HG3 H 2.403 0.030 2 992 94 94 GLN C C 179.296 0.300 1 993 94 94 GLN CA C 59.381 0.300 1 994 94 94 GLN CB C 27.758 0.300 1 995 94 94 GLN CG C 33.881 0.300 1 996 94 94 GLN N N 116.740 0.300 1 997 94 94 GLN NE2 N 111.685 0.300 1 998 95 95 GLN H H 7.833 0.030 1 999 95 95 GLN HA H 4.051 0.030 1 1000 95 95 GLN HB2 H 1.972 0.030 2 1001 95 95 GLN HB3 H 2.324 0.030 2 1002 95 95 GLN HE21 H 6.892 0.030 2 1003 95 95 GLN HE22 H 7.436 0.030 2 1004 95 95 GLN HG2 H 2.393 0.030 1 1005 95 95 GLN HG3 H 2.393 0.030 1 1006 95 95 GLN C C 178.407 0.300 1 1007 95 95 GLN CA C 58.295 0.300 1 1008 95 95 GLN CB C 28.882 0.300 1 1009 95 95 GLN CG C 34.327 0.300 1 1010 95 95 GLN N N 119.904 0.300 1 1011 95 95 GLN NE2 N 111.287 0.300 1 1012 96 96 ALA H H 8.411 0.030 1 1013 96 96 ALA HA H 3.884 0.030 1 1014 96 96 ALA HB H 1.403 0.030 1 1015 96 96 ALA C C 178.560 0.300 1 1016 96 96 ALA CA C 55.454 0.300 1 1017 96 96 ALA CB C 18.048 0.300 1 1018 96 96 ALA N N 123.296 0.300 1 1019 97 97 ILE H H 7.933 0.030 1 1020 97 97 ILE HA H 3.574 0.030 1 1021 97 97 ILE HB H 1.832 0.030 1 1022 97 97 ILE HD1 H 0.675 0.030 1 1023 97 97 ILE HG12 H 1.145 0.030 2 1024 97 97 ILE HG13 H 1.476 0.030 2 1025 97 97 ILE HG2 H 0.820 0.030 1 1026 97 97 ILE C C 178.284 0.300 1 1027 97 97 ILE CA C 64.118 0.300 1 1028 97 97 ILE CB C 36.813 0.300 1 1029 97 97 ILE CD1 C 11.547 0.300 1 1030 97 97 ILE CG1 C 28.489 0.300 1 1031 97 97 ILE CG2 C 17.279 0.300 1 1032 97 97 ILE N N 115.796 0.300 1 1033 98 98 ALA H H 7.715 0.030 1 1034 98 98 ALA HA H 4.114 0.030 1 1035 98 98 ALA HB H 1.431 0.030 1 1036 98 98 ALA C C 180.540 0.300 1 1037 98 98 ALA CA C 55.219 0.300 1 1038 98 98 ALA CB C 17.686 0.300 1 1039 98 98 ALA N N 122.082 0.300 1 1040 99 99 LEU H H 7.937 0.030 1 1041 99 99 LEU HA H 4.044 0.030 1 1042 99 99 LEU HB2 H 1.428 0.030 2 1043 99 99 LEU HB3 H 2.040 0.030 2 1044 99 99 LEU HD1 H 0.871 0.030 1 1045 99 99 LEU HD2 H 0.881 0.030 1 1046 99 99 LEU HG H 1.818 0.030 1 1047 99 99 LEU C C 179.837 0.300 1 1048 99 99 LEU CA C 57.688 0.300 1 1049 99 99 LEU CB C 42.536 0.300 1 1050 99 99 LEU CD1 C 25.060 0.300 2 1051 99 99 LEU CD2 C 23.276 0.300 2 1052 99 99 LEU CG C 26.831 0.300 1 1053 99 99 LEU N N 118.477 0.300 1 1054 100 100 LEU H H 7.735 0.030 1 1055 100 100 LEU HA H 4.021 0.030 1 1056 100 100 LEU HB2 H 1.993 0.030 2 1057 100 100 LEU HB3 H 1.546 0.030 2 1058 100 100 LEU HD1 H 0.861 0.030 1 1059 100 100 LEU HD2 H 0.909 0.030 1 1060 100 100 LEU HG H 1.900 0.030 1 1061 100 100 LEU C C 177.818 0.300 1 1062 100 100 LEU CA C 57.452 0.300 1 1063 100 100 LEU CB C 42.093 0.300 1 1064 100 100 LEU CD1 C 25.801 0.300 2 1065 100 100 LEU CD2 C 25.007 0.300 2 1066 100 100 LEU CG C 26.595 0.300 1 1067 100 100 LEU N N 118.066 0.300 1 1068 101 101 GLN H H 8.038 0.030 1 1069 101 101 GLN HA H 4.181 0.030 1 1070 101 101 GLN HB2 H 2.085 0.030 2 1071 101 101 GLN HB3 H 2.156 0.030 2 1072 101 101 GLN HE21 H 7.231 0.030 2 1073 101 101 GLN HE22 H 6.753 0.030 2 1074 101 101 GLN HG2 H 2.341 0.030 2 1075 101 101 GLN HG3 H 2.524 0.030 2 1076 101 101 GLN C C 177.481 0.300 1 1077 101 101 GLN CA C 57.020 0.300 1 1078 101 101 GLN CB C 29.095 0.300 1 1079 101 101 GLN CG C 33.981 0.300 1 1080 101 101 GLN N N 114.549 0.300 1 1081 101 101 GLN NE2 N 110.711 0.300 1 1082 102 102 GLN H H 7.901 0.030 1 1083 102 102 GLN HA H 4.357 0.030 1 1084 102 102 GLN HB2 H 2.128 0.030 2 1085 102 102 GLN HB3 H 2.225 0.030 2 1086 102 102 GLN HE21 H 7.518 0.030 2 1087 102 102 GLN HE22 H 6.837 0.030 2 1088 102 102 GLN HG2 H 2.479 0.030 2 1089 102 102 GLN HG3 H 2.507 0.030 2 1090 102 102 GLN C C 176.483 0.300 1 1091 102 102 GLN CA C 56.224 0.300 1 1092 102 102 GLN CB C 29.138 0.300 1 1093 102 102 GLN CG C 34.025 0.300 1 1094 102 102 GLN N N 116.865 0.300 1 1095 102 102 GLN NE2 N 111.399 0.300 1 1096 103 103 THR H H 7.597 0.030 1 1097 103 103 THR HA H 4.302 0.030 1 1098 103 103 THR HB H 4.238 0.030 1 1099 103 103 THR HG2 H 1.238 0.030 1 1100 103 103 THR C C 174.309 0.300 1 1101 103 103 THR CA C 62.818 0.300 1 1102 103 103 THR CB C 69.689 0.300 1 1103 103 103 THR CG2 C 21.867 0.300 1 1104 103 103 THR N N 114.382 0.300 1 1105 104 104 THR H H 8.168 0.030 1 1106 104 104 THR HA H 4.447 0.030 1 1107 104 104 THR HB H 4.269 0.030 1 1108 104 104 THR HG2 H 1.182 0.030 1 1109 104 104 THR C C 174.659 0.300 1 1110 104 104 THR CA C 60.960 0.300 1 1111 104 104 THR CB C 70.291 0.300 1 1112 104 104 THR CG2 C 21.484 0.300 1 1113 104 104 THR N N 115.831 0.300 1 1114 105 105 GLY H H 8.494 0.030 1 1115 105 105 GLY HA2 H 3.907 0.030 2 1116 105 105 GLY HA3 H 4.139 0.030 2 1117 105 105 GLY C C 173.805 0.300 1 1118 105 105 GLY CA C 45.104 0.300 1 1119 105 105 GLY N N 110.825 0.300 1 1120 106 106 SER H H 8.289 0.030 1 1121 106 106 SER HA H 4.552 0.030 1 1122 106 106 SER HB2 H 3.746 0.030 2 1123 106 106 SER HB3 H 3.800 0.030 2 1124 106 106 SER C C 173.512 0.300 1 1125 106 106 SER CA C 58.778 0.300 1 1126 106 106 SER CB C 63.647 0.300 1 1127 106 106 SER N N 117.498 0.300 1 1128 107 107 LEU H H 8.962 0.030 1 1129 107 107 LEU HA H 4.803 0.030 1 1130 107 107 LEU HB2 H 1.523 0.030 2 1131 107 107 LEU HB3 H 1.725 0.030 2 1132 107 107 LEU HD1 H 0.971 0.030 1 1133 107 107 LEU HD2 H 0.960 0.030 1 1134 107 107 LEU HG H 1.521 0.030 1 1135 107 107 LEU C C 174.056 0.300 1 1136 107 107 LEU CA C 54.245 0.300 1 1137 107 107 LEU CB C 44.478 0.300 1 1138 107 107 LEU CD1 C 25.024 0.300 2 1139 107 107 LEU CD2 C 25.993 0.300 2 1140 107 107 LEU CG C 27.385 0.300 1 1141 107 107 LEU N N 126.634 0.300 1 1142 108 108 ARG H H 8.530 0.030 1 1143 108 108 ARG HA H 5.254 0.030 1 1144 108 108 ARG HB2 H 1.803 0.030 2 1145 108 108 ARG HB3 H 1.871 0.030 2 1146 108 108 ARG HD2 H 3.106 0.030 2 1147 108 108 ARG HD3 H 3.141 0.030 2 1148 108 108 ARG HE H 7.699 0.030 1 1149 108 108 ARG HG2 H 1.471 0.030 2 1150 108 108 ARG HG3 H 1.568 0.030 2 1151 108 108 ARG C C 175.733 0.300 1 1152 108 108 ARG CA C 54.650 0.300 1 1153 108 108 ARG CB C 31.179 0.300 1 1154 108 108 ARG CD C 43.527 0.300 1 1155 108 108 ARG CG C 27.051 0.300 1 1156 108 108 ARG N N 125.538 0.300 1 1157 108 108 ARG NE N 85.324 0.300 1 1158 109 109 LEU H H 9.493 0.030 1 1159 109 109 LEU HA H 5.153 0.030 1 1160 109 109 LEU HB2 H 1.173 0.030 2 1161 109 109 LEU HB3 H 1.699 0.030 2 1162 109 109 LEU HD1 H 0.665 0.030 1 1163 109 109 LEU HD2 H 0.874 0.030 1 1164 109 109 LEU HG H 1.627 0.030 1 1165 109 109 LEU C C 176.123 0.300 1 1166 109 109 LEU CA C 52.968 0.300 1 1167 109 109 LEU CB C 44.975 0.300 1 1168 109 109 LEU CD1 C 26.203 0.300 2 1169 109 109 LEU CD2 C 24.750 0.300 2 1170 109 109 LEU CG C 27.128 0.300 1 1171 109 109 LEU N N 126.578 0.300 1 1172 110 110 ILE H H 7.839 0.030 1 1173 110 110 ILE HA H 4.696 0.030 1 1174 110 110 ILE HB H 1.395 0.030 1 1175 110 110 ILE HD1 H 0.901 0.030 1 1176 110 110 ILE HG12 H 0.618 0.030 2 1177 110 110 ILE HG13 H 1.629 0.030 2 1178 110 110 ILE HG2 H 0.436 0.030 1 1179 110 110 ILE C C 176.161 0.300 1 1180 110 110 ILE CA C 61.167 0.300 1 1181 110 110 ILE CB C 38.831 0.300 1 1182 110 110 ILE CD1 C 14.545 0.300 1 1183 110 110 ILE CG1 C 26.957 0.300 1 1184 110 110 ILE CG2 C 18.098 0.300 1 1185 110 110 ILE N N 121.777 0.300 1 1186 111 111 VAL H H 8.932 0.030 1 1187 111 111 VAL HA H 5.555 0.030 1 1188 111 111 VAL HB H 1.833 0.030 1 1189 111 111 VAL HG1 H 0.585 0.030 1 1190 111 111 VAL HG2 H 0.607 0.030 1 1191 111 111 VAL C C 173.358 0.300 1 1192 111 111 VAL CA C 57.544 0.300 1 1193 111 111 VAL CB C 35.531 0.300 1 1194 111 111 VAL CG1 C 20.600 0.300 2 1195 111 111 VAL CG2 C 18.289 0.300 2 1196 111 111 VAL N N 120.157 0.300 1 1197 112 112 ALA H H 8.900 0.030 1 1198 112 112 ALA HA H 5.498 0.030 1 1199 112 112 ALA HB H 1.116 0.030 1 1200 112 112 ALA C C 176.579 0.300 1 1201 112 112 ALA CA C 49.098 0.300 1 1202 112 112 ALA CB C 21.612 0.300 1 1203 112 112 ALA N N 120.247 0.300 1 1204 113 113 ARG H H 8.901 0.030 1 1205 113 113 ARG HA H 4.818 0.030 1 1206 113 113 ARG HB2 H 1.645 0.030 2 1207 113 113 ARG HB3 H 1.943 0.030 2 1208 113 113 ARG HD2 H 3.059 0.030 2 1209 113 113 ARG HD3 H 3.096 0.030 2 1210 113 113 ARG HE H 8.890 0.030 1 1211 113 113 ARG HG2 H 1.478 0.030 1 1212 113 113 ARG HG3 H 1.478 0.030 1 1213 113 113 ARG C C 175.101 0.300 1 1214 113 113 ARG CA C 54.350 0.300 1 1215 113 113 ARG CB C 33.873 0.300 1 1216 113 113 ARG CD C 43.435 0.300 1 1217 113 113 ARG CG C 25.884 0.300 1 1218 113 113 ARG N N 121.313 0.300 1 1219 113 113 ARG NE N 84.961 0.300 1 1220 114 114 GLU H H 8.792 0.030 1 1221 114 114 GLU HA H 4.607 0.030 1 1222 114 114 GLU HB2 H 1.960 0.030 2 1223 114 114 GLU HB3 H 2.059 0.030 2 1224 114 114 GLU HG2 H 2.354 0.030 2 1225 114 114 GLU HG3 H 2.396 0.030 2 1226 114 114 GLU C C 174.858 0.300 1 1227 114 114 GLU CA C 54.467 0.300 1 1228 114 114 GLU CB C 29.597 0.300 1 1229 114 114 GLU CG C 35.636 0.300 1 1230 114 114 GLU N N 124.982 0.300 1 1231 115 115 PRO HA H 4.456 0.030 1 1232 115 115 PRO HB2 H 1.835 0.030 2 1233 115 115 PRO HB3 H 2.270 0.030 2 1234 115 115 PRO HD2 H 3.843 0.030 2 1235 115 115 PRO HD3 H 3.872 0.030 2 1236 115 115 PRO HG2 H 2.056 0.030 1 1237 115 115 PRO HG3 H 2.056 0.030 1 1238 115 115 PRO C C 176.514 0.300 1 1239 115 115 PRO CA C 62.811 0.300 1 1240 115 115 PRO CB C 32.179 0.300 1 1241 115 115 PRO CD C 50.899 0.300 1 1242 115 115 PRO CG C 27.453 0.300 1 1243 116 116 VAL H H 8.190 0.030 1 1244 116 116 VAL HA H 4.009 0.030 1 1245 116 116 VAL HB H 1.996 0.030 1 1246 116 116 VAL HG1 H 0.876 0.030 1 1247 116 116 VAL HG2 H 0.925 0.030 1 1248 116 116 VAL C C 176.166 0.300 1 1249 116 116 VAL CA C 62.409 0.300 1 1250 116 116 VAL CB C 32.623 0.300 1 1251 116 116 VAL CG1 C 21.063 0.300 2 1252 116 116 VAL CG2 C 20.633 0.300 2 1253 116 116 VAL N N 120.251 0.300 1 1254 117 117 HIS H H 8.413 0.030 1 1255 117 117 HIS HA H 4.738 0.030 1 1256 117 117 HIS HB2 H 3.079 0.030 2 1257 117 117 HIS HB3 H 3.139 0.030 2 1258 117 117 HIS HD2 H 7.050 0.030 1 1259 117 117 HIS HE1 H 7.921 0.030 1 1260 117 117 HIS C C 175.475 0.300 1 1261 117 117 HIS CA C 55.843 0.300 1 1262 117 117 HIS CB C 30.746 0.300 1 1263 117 117 HIS CD2 C 119.668 0.300 1 1264 117 117 HIS CE1 C 137.938 0.300 1 1265 117 117 HIS N N 123.304 0.300 1 1266 118 118 THR H H 8.123 0.030 1 1267 118 118 THR HA H 4.302 0.030 1 1268 118 118 THR HB H 4.168 0.030 1 1269 118 118 THR HG2 H 1.177 0.030 1 1270 118 118 THR C C 174.348 0.300 1 1271 118 118 THR CA C 61.774 0.300 1 1272 118 118 THR CB C 69.803 0.300 1 1273 118 118 THR CG2 C 21.493 0.300 1 1274 119 119 LYS H H 8.412 0.030 1 1275 119 119 LYS HA H 4.361 0.030 1 1276 119 119 LYS HB2 H 1.763 0.030 2 1277 119 119 LYS HB3 H 1.859 0.030 2 1278 119 119 LYS HD2 H 1.675 0.030 1 1279 119 119 LYS HD3 H 1.675 0.030 1 1280 119 119 LYS HE2 H 2.488 0.030 1 1281 119 119 LYS HE3 H 2.488 0.030 1 1282 119 119 LYS HG2 H 1.438 0.030 1 1283 119 119 LYS HG3 H 1.438 0.030 1 1284 119 119 LYS C C 176.567 0.300 1 1285 119 119 LYS CA C 56.299 0.300 1 1286 119 119 LYS CB C 33.038 0.300 1 1287 119 119 LYS CD C 29.043 0.300 1 1288 119 119 LYS CG C 24.635 0.300 1 1289 119 119 LYS N N 124.076 0.300 1 1290 122 122 THR HA H 4.437 0.030 1 1291 122 122 THR HB H 4.304 0.030 1 1292 122 122 THR HG2 H 1.192 0.030 1 1293 122 122 THR CA C 61.738 0.300 1 1294 122 122 THR CB C 69.677 0.300 1 1295 122 122 THR CG2 C 21.527 0.300 1 1296 125 125 PRO C C 177.379 0.300 1 1297 125 125 PRO CA C 63.240 0.300 1 1298 125 125 PRO CB C 32.122 0.300 1 1299 126 126 SER H H 8.517 0.030 1 1300 126 126 SER HA H 4.237 0.030 1 1301 126 126 SER HB2 H 3.873 0.030 2 1302 126 126 SER HB3 H 3.917 0.030 2 1303 126 126 SER C C 174.640 0.300 1 1304 126 126 SER CA C 58.335 0.300 1 1305 126 126 SER CB C 63.788 0.300 1 1306 126 126 SER N N 116.397 0.300 1 1307 127 127 SER H H 8.302 0.030 1 1308 127 127 SER HA H 4.485 0.030 1 1309 127 127 SER HB2 H 3.880 0.030 1 1310 127 127 SER HB3 H 3.880 0.030 1 1311 127 127 SER C C 173.928 0.300 1 1312 127 127 SER CA C 58.397 0.300 1 1313 127 127 SER CB C 63.962 0.300 1 1314 127 127 SER N N 117.849 0.300 1 1315 128 128 GLY H H 8.021 0.030 1 1316 128 128 GLY HA2 H 3.750 0.030 2 1317 128 128 GLY HA3 H 3.788 0.030 2 1318 128 128 GLY C C 178.998 0.300 1 1319 128 128 GLY CA C 46.224 0.300 1 1320 128 128 GLY N N 116.955 0.300 1 stop_ save_