data_10114 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the C-terminal Pleckstrin Homology Domain of Sbf1 from Mouse ; _BMRB_accession_number 10114 _BMRB_flat_file_name bmr10114.str _Entry_type original _Submission_date 2007-02-15 _Accession_date 2007-02-16 _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 Li H. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 681 "13C chemical shifts" 520 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the C-terminal Pleckstrin Homology Domain of Sbf1 from Mouse ; _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 Li H. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'SET binding factor 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SET binding factor 1' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'The Pleckstrin Homology Domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; GSSGSSGRSYEGILYKKGAF MKPWKARWFVLDKTKHQLRY YDHRMDTECKGVIDLAEVEA VAPGTPTIGAPKTVDEKAFF DVKTTRRVYNFCAQDVPSAQ QWVDRIQSCLSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 SER 10 TYR 11 GLU 12 GLY 13 ILE 14 LEU 15 TYR 16 LYS 17 LYS 18 GLY 19 ALA 20 PHE 21 MET 22 LYS 23 PRO 24 TRP 25 LYS 26 ALA 27 ARG 28 TRP 29 PHE 30 VAL 31 LEU 32 ASP 33 LYS 34 THR 35 LYS 36 HIS 37 GLN 38 LEU 39 ARG 40 TYR 41 TYR 42 ASP 43 HIS 44 ARG 45 MET 46 ASP 47 THR 48 GLU 49 CYS 50 LYS 51 GLY 52 VAL 53 ILE 54 ASP 55 LEU 56 ALA 57 GLU 58 VAL 59 GLU 60 ALA 61 VAL 62 ALA 63 PRO 64 GLY 65 THR 66 PRO 67 THR 68 ILE 69 GLY 70 ALA 71 PRO 72 LYS 73 THR 74 VAL 75 ASP 76 GLU 77 LYS 78 ALA 79 PHE 80 PHE 81 ASP 82 VAL 83 LYS 84 THR 85 THR 86 ARG 87 ARG 88 VAL 89 TYR 90 ASN 91 PHE 92 CYS 93 ALA 94 GLN 95 ASP 96 VAL 97 PRO 98 SER 99 ALA 100 GLN 101 GLN 102 TRP 103 VAL 104 ASP 105 ARG 106 ILE 107 GLN 108 SER 109 CYS 110 LEU 111 SER 112 SER 113 GLY 114 PRO 115 SER 116 SER 117 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 1V5U "Solution Structure Of The C-Terminal Pleckstrin Homology Domain Of Sbf1 From Mouse" 100.00 117 100.00 100.00 3.81e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P030212-74 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.28 mM '[U-13C; U-15N]' PiNa 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.854 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SET binding factor 1' _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 2 2 SER C C 174.801 0.300 1 2 2 2 SER CA C 58.296 0.300 1 3 2 2 SER CB C 63.749 0.300 1 4 3 3 SER H H 8.601 0.030 1 5 3 3 SER HA H 4.499 0.030 1 6 3 3 SER HB2 H 3.903 0.030 1 7 3 3 SER HB3 H 3.903 0.030 1 8 3 3 SER C C 175.140 0.300 1 9 3 3 SER CA C 58.631 0.300 1 10 3 3 SER CB C 63.626 0.300 1 11 3 3 SER N N 118.237 0.300 1 12 4 4 GLY H H 8.489 0.030 1 13 4 4 GLY HA2 H 4.013 0.030 1 14 4 4 GLY HA3 H 4.013 0.030 1 15 4 4 GLY C C 174.437 0.300 1 16 4 4 GLY CA C 45.470 0.300 1 17 4 4 GLY N N 110.991 0.300 1 18 5 5 SER H H 8.304 0.030 1 19 5 5 SER HA H 4.504 0.030 1 20 5 5 SER HB2 H 3.898 0.030 1 21 5 5 SER HB3 H 3.898 0.030 1 22 5 5 SER C C 174.995 0.300 1 23 5 5 SER CA C 58.384 0.300 1 24 5 5 SER CB C 63.831 0.300 1 25 5 5 SER N N 115.792 0.300 1 26 6 6 SER H H 8.449 0.030 1 27 6 6 SER HA H 4.445 0.030 1 28 6 6 SER HB2 H 3.918 0.030 1 29 6 6 SER HB3 H 3.918 0.030 1 30 6 6 SER C C 175.067 0.300 1 31 6 6 SER CA C 58.790 0.300 1 32 6 6 SER CB C 63.748 0.300 1 33 6 6 SER N N 117.942 0.300 1 34 7 7 GLY H H 8.443 0.030 1 35 7 7 GLY HA2 H 3.978 0.030 1 36 7 7 GLY HA3 H 3.978 0.030 1 37 7 7 GLY C C 173.674 0.300 1 38 7 7 GLY CA C 45.576 0.300 1 39 7 7 GLY N N 110.619 0.300 1 40 8 8 ARG H H 7.953 0.030 1 41 8 8 ARG HA H 4.456 0.030 1 42 8 8 ARG HB2 H 1.752 0.030 1 43 8 8 ARG HB3 H 1.752 0.030 1 44 8 8 ARG HG2 H 1.652 0.030 2 45 8 8 ARG HG3 H 1.546 0.030 2 46 8 8 ARG HD2 H 3.158 0.030 1 47 8 8 ARG HD3 H 3.158 0.030 1 48 8 8 ARG C C 175.697 0.300 1 49 8 8 ARG CA C 55.579 0.300 1 50 8 8 ARG CB C 31.148 0.300 1 51 8 8 ARG CG C 26.995 0.300 1 52 8 8 ARG CD C 43.686 0.300 1 53 8 8 ARG N N 119.652 0.300 1 54 9 9 SER H H 8.376 0.030 1 55 9 9 SER HA H 4.678 0.030 1 56 9 9 SER HB2 H 3.815 0.030 2 57 9 9 SER HB3 H 3.996 0.030 2 58 9 9 SER C C 173.541 0.300 1 59 9 9 SER CA C 59.143 0.300 1 60 9 9 SER CB C 64.341 0.300 1 61 9 9 SER N N 117.899 0.300 1 62 10 10 TYR H H 8.243 0.030 1 63 10 10 TYR HA H 4.499 0.030 1 64 10 10 TYR HB2 H 2.755 0.030 2 65 10 10 TYR HB3 H 2.084 0.030 2 66 10 10 TYR HD1 H 5.796 0.030 1 67 10 10 TYR HD2 H 5.796 0.030 1 68 10 10 TYR HE1 H 5.663 0.030 1 69 10 10 TYR HE2 H 5.663 0.030 1 70 10 10 TYR C C 172.742 0.300 1 71 10 10 TYR CA C 58.296 0.300 1 72 10 10 TYR CB C 41.384 0.300 1 73 10 10 TYR CD1 C 132.211 0.300 1 74 10 10 TYR CD2 C 132.211 0.300 1 75 10 10 TYR CE1 C 117.418 0.300 1 76 10 10 TYR CE2 C 117.418 0.300 1 77 10 10 TYR N N 121.574 0.300 1 78 11 11 GLU H H 6.791 0.030 1 79 11 11 GLU HA H 5.503 0.030 1 80 11 11 GLU HB2 H 2.243 0.030 2 81 11 11 GLU HB3 H 1.868 0.030 2 82 11 11 GLU HG2 H 2.114 0.030 2 83 11 11 GLU HG3 H 2.218 0.030 2 84 11 11 GLU C C 174.413 0.300 1 85 11 11 GLU CA C 53.874 0.300 1 86 11 11 GLU CB C 33.367 0.300 1 87 11 11 GLU CG C 35.382 0.300 1 88 11 11 GLU N N 120.387 0.300 1 89 12 12 GLY H H 8.023 0.030 1 90 12 12 GLY HA2 H 4.067 0.030 2 91 12 12 GLY HA3 H 2.778 0.030 2 92 12 12 GLY C C 170.791 0.300 1 93 12 12 GLY CA C 44.576 0.300 1 94 12 12 GLY N N 107.647 0.300 1 95 13 13 ILE H H 8.256 0.030 1 96 13 13 ILE HA H 4.832 0.030 1 97 13 13 ILE HB H 1.771 0.030 1 98 13 13 ILE HG12 H 1.532 0.030 2 99 13 13 ILE HG13 H 1.841 0.030 2 100 13 13 ILE HG2 H 0.631 0.030 1 101 13 13 ILE HD1 H 0.968 0.030 1 102 13 13 ILE C C 177.212 0.300 1 103 13 13 ILE CA C 59.989 0.300 1 104 13 13 ILE CB C 38.630 0.300 1 105 13 13 ILE CG1 C 27.735 0.300 1 106 13 13 ILE CG2 C 17.064 0.300 1 107 13 13 ILE CD1 C 12.041 0.300 1 108 13 13 ILE N N 119.905 0.300 1 109 14 14 LEU H H 8.468 0.030 1 110 14 14 LEU HA H 4.537 0.030 1 111 14 14 LEU HB2 H 0.758 0.030 2 112 14 14 LEU HB3 H 0.374 0.030 2 113 14 14 LEU HG H 0.308 0.030 1 114 14 14 LEU HD1 H -1.732 0.030 1 115 14 14 LEU HD2 H 0.053 0.030 1 116 14 14 LEU C C 176.412 0.300 1 117 14 14 LEU CA C 54.062 0.300 1 118 14 14 LEU CB C 45.934 0.300 1 119 14 14 LEU CG C 25.934 0.300 1 120 14 14 LEU CD1 C 22.226 0.300 2 121 14 14 LEU CD2 C 23.788 0.300 2 122 14 14 LEU N N 123.882 0.300 1 123 15 15 TYR H H 8.964 0.030 1 124 15 15 TYR HA H 5.071 0.030 1 125 15 15 TYR HB2 H 3.739 0.030 2 126 15 15 TYR HB3 H 2.666 0.030 2 127 15 15 TYR HD1 H 6.854 0.030 1 128 15 15 TYR HD2 H 6.854 0.030 1 129 15 15 TYR HE1 H 6.677 0.030 1 130 15 15 TYR HE2 H 6.677 0.030 1 131 15 15 TYR C C 175.273 0.300 1 132 15 15 TYR CA C 57.273 0.300 1 133 15 15 TYR CB C 39.945 0.300 1 134 15 15 TYR CD1 C 133.347 0.300 1 135 15 15 TYR CD2 C 133.347 0.300 1 136 15 15 TYR CE1 C 117.838 0.300 1 137 15 15 TYR CE2 C 117.838 0.300 1 138 15 15 TYR N N 118.640 0.300 1 139 16 16 LYS H H 8.176 0.030 1 140 16 16 LYS HA H 4.963 0.030 1 141 16 16 LYS HB2 H 1.623 0.030 2 142 16 16 LYS HB3 H 1.388 0.030 2 143 16 16 LYS HG2 H 0.910 0.030 2 144 16 16 LYS HG3 H 1.276 0.030 2 145 16 16 LYS HD2 H 1.346 0.030 2 146 16 16 LYS HD3 H 1.256 0.030 2 147 16 16 LYS HE2 H 2.678 0.030 2 148 16 16 LYS HE3 H 2.865 0.030 2 149 16 16 LYS C C 175.055 0.300 1 150 16 16 LYS CA C 53.552 0.300 1 151 16 16 LYS CB C 36.364 0.300 1 152 16 16 LYS CG C 22.884 0.300 1 153 16 16 LYS CD C 29.215 0.300 1 154 16 16 LYS CE C 40.488 0.300 1 155 16 16 LYS N N 120.414 0.300 1 156 17 17 LYS H H 7.125 0.030 1 157 17 17 LYS HA H 2.127 0.030 1 158 17 17 LYS HB2 H 1.152 0.030 2 159 17 17 LYS HB3 H -0.196 0.030 2 160 17 17 LYS HG2 H 0.915 0.030 2 161 17 17 LYS HG3 H 1.219 0.030 2 162 17 17 LYS HD2 H 1.468 0.030 2 163 17 17 LYS HD3 H 1.586 0.030 2 164 17 17 LYS HE2 H 2.956 0.030 1 165 17 17 LYS HE3 H 2.956 0.030 1 166 17 17 LYS C C 176.267 0.300 1 167 17 17 LYS CA C 57.625 0.300 1 168 17 17 LYS CB C 33.244 0.300 1 169 17 17 LYS CG C 24.117 0.300 1 170 17 17 LYS CD C 29.391 0.300 1 171 17 17 LYS CE C 42.453 0.300 1 172 17 17 LYS N N 130.634 0.300 1 173 18 18 GLY H H 7.922 0.030 1 174 18 18 GLY HA2 H 4.348 0.030 2 175 18 18 GLY HA3 H 3.584 0.030 2 176 18 18 GLY C C 173.250 0.300 1 177 18 18 GLY CA C 45.118 0.300 1 178 18 18 GLY N N 118.337 0.300 1 179 19 19 ALA H H 8.656 0.030 1 180 19 19 ALA HA H 4.196 0.030 1 181 19 19 ALA HB H 1.326 0.030 1 182 19 19 ALA C C 177.708 0.300 1 183 19 19 ALA CA C 52.227 0.300 1 184 19 19 ALA CB C 19.598 0.300 1 185 19 19 ALA N N 128.280 0.300 1 186 20 20 PHE H H 8.527 0.030 1 187 20 20 PHE HA H 4.436 0.030 1 188 20 20 PHE HB2 H 3.210 0.030 2 189 20 20 PHE HB3 H 2.994 0.030 2 190 20 20 PHE HD1 H 7.285 0.030 1 191 20 20 PHE HD2 H 7.285 0.030 1 192 20 20 PHE HE1 H 7.385 0.030 1 193 20 20 PHE HE2 H 7.385 0.030 1 194 20 20 PHE HZ H 7.322 0.030 1 195 20 20 PHE C C 175.903 0.300 1 196 20 20 PHE CA C 59.178 0.300 1 197 20 20 PHE CB C 39.002 0.300 1 198 20 20 PHE CD1 C 131.894 0.300 1 199 20 20 PHE CD2 C 131.894 0.300 1 200 20 20 PHE CE1 C 131.883 0.300 1 201 20 20 PHE CE2 C 131.883 0.300 1 202 20 20 PHE CZ C 130.216 0.300 1 203 20 20 PHE N N 120.544 0.300 1 204 21 21 MET H H 8.587 0.030 1 205 21 21 MET HA H 3.845 0.030 1 206 21 21 MET HB2 H 2.088 0.030 2 207 21 21 MET HB3 H 1.939 0.030 2 208 21 21 MET HG2 H 1.834 0.030 2 209 21 21 MET HG3 H 1.645 0.030 2 210 21 21 MET C C 175.273 0.300 1 211 21 21 MET CA C 56.867 0.300 1 212 21 21 MET CB C 29.914 0.300 1 213 21 21 MET CG C 32.257 0.300 1 214 21 21 MET N N 118.883 0.300 1 215 22 22 LYS H H 7.696 0.030 1 216 22 22 LYS HA H 4.712 0.030 1 217 22 22 LYS HB2 H 1.924 0.030 2 218 22 22 LYS HB3 H 1.792 0.030 2 219 22 22 LYS HG2 H 1.387 0.030 2 220 22 22 LYS HG3 H 1.566 0.030 2 221 22 22 LYS HE2 H 3.036 0.030 2 222 22 22 LYS C C 174.849 0.300 1 223 22 22 LYS CA C 53.674 0.300 1 224 22 22 LYS CB C 31.617 0.300 1 225 22 22 LYS CG C 25.011 0.300 1 226 22 22 LYS N N 119.620 0.300 1 227 23 23 PRO HA H 4.783 0.030 1 228 23 23 PRO HB2 H 2.445 0.030 2 229 23 23 PRO HB3 H 1.915 0.030 2 230 23 23 PRO HG2 H 2.085 0.030 2 231 23 23 PRO HG3 H 2.141 0.030 2 232 23 23 PRO HD2 H 3.666 0.030 2 233 23 23 PRO HD3 H 3.901 0.030 2 234 23 23 PRO C C 177.563 0.300 1 235 23 23 PRO CA C 63.024 0.300 1 236 23 23 PRO CB C 31.928 0.300 1 237 23 23 PRO CG C 28.000 0.300 1 238 23 23 PRO CD C 50.757 0.300 1 239 24 24 TRP H H 8.832 0.030 1 240 24 24 TRP HA H 4.634 0.030 1 241 24 24 TRP HB2 H 2.956 0.030 2 242 24 24 TRP HB3 H 3.100 0.030 2 243 24 24 TRP HD1 H 7.387 0.030 1 244 24 24 TRP HE1 H 10.007 0.030 1 245 24 24 TRP HE3 H 7.069 0.030 1 246 24 24 TRP HZ2 H 7.512 0.030 1 247 24 24 TRP HZ3 H 6.598 0.030 1 248 24 24 TRP HH2 H 7.405 0.030 1 249 24 24 TRP C C 176.072 0.300 1 250 24 24 TRP CA C 57.273 0.300 1 251 24 24 TRP CB C 29.500 0.300 1 252 24 24 TRP CD1 C 125.174 0.300 1 253 24 24 TRP CE3 C 120.164 0.300 1 254 24 24 TRP CZ2 C 114.446 0.300 1 255 24 24 TRP CZ3 C 122.684 0.300 1 256 24 24 TRP CH2 C 124.913 0.300 1 257 24 24 TRP N N 124.762 0.300 1 258 24 24 TRP NE1 N 129.832 0.300 1 259 25 25 LYS H H 8.175 0.030 1 260 25 25 LYS HA H 4.683 0.030 1 261 25 25 LYS HB2 H 1.821 0.030 1 262 25 25 LYS HB3 H 1.821 0.030 1 263 25 25 LYS HG2 H 1.606 0.030 1 264 25 25 LYS HG3 H 1.606 0.030 1 265 25 25 LYS HD2 H 1.726 0.030 1 266 25 25 LYS HD3 H 1.726 0.030 1 267 25 25 LYS HE2 H 3.024 0.030 1 268 25 25 LYS HE3 H 3.024 0.030 1 269 25 25 LYS C C 176.048 0.300 1 270 25 25 LYS CA C 55.720 0.300 1 271 25 25 LYS CB C 35.076 0.300 1 272 25 25 LYS CG C 25.022 0.300 1 273 25 25 LYS CD C 29.380 0.300 1 274 25 25 LYS CE C 42.371 0.300 1 275 25 25 LYS N N 122.640 0.300 1 276 26 26 ALA H H 8.839 0.030 1 277 26 26 ALA HA H 4.347 0.030 1 278 26 26 ALA HB H 0.849 0.030 1 279 26 26 ALA C C 177.260 0.300 1 280 26 26 ALA CA C 51.697 0.300 1 281 26 26 ALA CB C 18.033 0.300 1 282 26 26 ALA N N 128.513 0.300 1 283 27 27 ARG H H 9.011 0.030 1 284 27 27 ARG HA H 4.753 0.030 1 285 27 27 ARG HB2 H 1.996 0.030 2 286 27 27 ARG HB3 H 1.636 0.030 2 287 27 27 ARG HG2 H 1.455 0.030 1 288 27 27 ARG HG3 H 1.455 0.030 1 289 27 27 ARG HD2 H 2.996 0.030 1 290 27 27 ARG HD3 H 2.996 0.030 1 291 27 27 ARG C C 173.190 0.300 1 292 27 27 ARG CA C 53.779 0.300 1 293 27 27 ARG CB C 33.696 0.300 1 294 27 27 ARG CG C 29.051 0.300 1 295 27 27 ARG CD C 43.704 0.300 1 296 27 27 ARG N N 123.167 0.300 1 297 28 28 TRP H H 8.495 0.030 1 298 28 28 TRP HA H 4.803 0.030 1 299 28 28 TRP HB2 H 2.803 0.030 2 300 28 28 TRP HB3 H 2.989 0.030 2 301 28 28 TRP HD1 H 6.703 0.030 1 302 28 28 TRP HE1 H 10.504 0.030 1 303 28 28 TRP HE3 H 7.500 0.030 1 304 28 28 TRP HZ2 H 7.219 0.030 1 305 28 28 TRP HZ3 H 7.146 0.030 1 306 28 28 TRP HH2 H 7.165 0.030 1 307 28 28 TRP C C 174.837 0.300 1 308 28 28 TRP CA C 57.026 0.300 1 309 28 28 TRP CB C 30.179 0.300 1 310 28 28 TRP CD1 C 126.173 0.300 1 311 28 28 TRP CE3 C 120.322 0.300 1 312 28 28 TRP CZ2 C 114.520 0.300 1 313 28 28 TRP CZ3 C 121.743 0.300 1 314 28 28 TRP CH2 C 124.326 0.300 1 315 28 28 TRP N N 121.465 0.300 1 316 28 28 TRP NE1 N 130.103 0.300 1 317 29 29 PHE H H 9.006 0.030 1 318 29 29 PHE HA H 5.220 0.030 1 319 29 29 PHE HB2 H 2.706 0.030 2 320 29 29 PHE HB3 H 2.392 0.030 2 321 29 29 PHE HD1 H 6.835 0.030 1 322 29 29 PHE HD2 H 6.835 0.030 1 323 29 29 PHE HE1 H 6.626 0.030 1 324 29 29 PHE HE2 H 6.626 0.030 1 325 29 29 PHE HZ H 6.243 0.030 1 326 29 29 PHE C C 174.752 0.300 1 327 29 29 PHE CA C 56.831 0.300 1 328 29 29 PHE CB C 43.398 0.300 1 329 29 29 PHE CD1 C 131.785 0.300 1 330 29 29 PHE CD2 C 131.785 0.300 1 331 29 29 PHE CE1 C 131.030 0.300 1 332 29 29 PHE CE2 C 131.030 0.300 1 333 29 29 PHE CZ C 128.437 0.300 1 334 29 29 PHE N N 129.000 0.300 1 335 30 30 VAL H H 9.277 0.030 1 336 30 30 VAL HA H 4.692 0.030 1 337 30 30 VAL HB H 2.129 0.030 1 338 30 30 VAL HG1 H 1.038 0.030 1 339 30 30 VAL HG2 H 1.153 0.030 1 340 30 30 VAL C C 174.909 0.300 1 341 30 30 VAL CA C 61.313 0.300 1 342 30 30 VAL CB C 36.492 0.300 1 343 30 30 VAL CG1 C 21.145 0.300 2 344 30 30 VAL CG2 C 21.504 0.300 2 345 30 30 VAL N N 117.584 0.300 1 346 31 31 LEU H H 9.444 0.030 1 347 31 31 LEU HA H 4.972 0.030 1 348 31 31 LEU HB2 H 2.150 0.030 2 349 31 31 LEU HB3 H 1.588 0.030 2 350 31 31 LEU HG H 1.499 0.030 1 351 31 31 LEU HD1 H 0.764 0.030 1 352 31 31 LEU HD2 H 0.959 0.030 1 353 31 31 LEU C C 173.807 0.300 1 354 31 31 LEU CA C 54.255 0.300 1 355 31 31 LEU CB C 43.728 0.300 1 356 31 31 LEU CD1 C 26.762 0.300 2 357 31 31 LEU CD2 C 24.693 0.300 2 358 31 31 LEU N N 128.911 0.300 1 359 32 32 ASP H H 9.117 0.030 1 360 32 32 ASP HA H 5.071 0.030 1 361 32 32 ASP HB2 H 3.073 0.030 2 362 32 32 ASP HB3 H 2.498 0.030 2 363 32 32 ASP C C 176.666 0.300 1 364 32 32 ASP CA C 51.839 0.300 1 365 32 32 ASP CB C 41.960 0.300 1 366 32 32 ASP N N 128.024 0.300 1 367 33 33 LYS H H 8.608 0.030 1 368 33 33 LYS HA H 4.086 0.030 1 369 33 33 LYS HB2 H 1.841 0.030 1 370 33 33 LYS HB3 H 1.841 0.030 1 371 33 33 LYS HG2 H 1.456 0.030 1 372 33 33 LYS HG3 H 1.456 0.030 1 373 33 33 LYS HE2 H 2.949 0.030 1 374 33 33 LYS HE3 H 2.949 0.030 1 375 33 33 LYS C C 178.593 0.300 1 376 33 33 LYS CA C 59.025 0.300 1 377 33 33 LYS CB C 32.709 0.300 1 378 33 33 LYS CG C 25.268 0.300 1 379 33 33 LYS CD C 29.544 0.300 1 380 33 33 LYS CE C 41.960 0.300 1 381 33 33 LYS N N 124.678 0.300 1 382 34 34 THR H H 8.370 0.030 1 383 34 34 THR HA H 4.052 0.030 1 384 34 34 THR HB H 4.295 0.030 1 385 34 34 THR HG2 H 1.246 0.030 1 386 34 34 THR C C 176.085 0.300 1 387 34 34 THR CA C 65.811 0.300 1 388 34 34 THR CB C 68.412 0.300 1 389 34 34 THR CG2 C 22.156 0.300 1 390 34 34 THR N N 116.236 0.300 1 391 35 35 LYS H H 7.421 0.030 1 392 35 35 LYS HA H 4.283 0.030 1 393 35 35 LYS HB2 H 1.790 0.030 2 394 35 35 LYS HB3 H 1.188 0.030 2 395 35 35 LYS HG2 H 1.277 0.030 2 396 35 35 LYS HG3 H 1.481 0.030 2 397 35 35 LYS HD2 H 1.556 0.030 1 398 35 35 LYS HD3 H 1.556 0.030 1 399 35 35 LYS HE2 H 2.934 0.030 1 400 35 35 LYS HE3 H 2.934 0.030 1 401 35 35 LYS C C 175.273 0.300 1 402 35 35 LYS CA C 55.420 0.300 1 403 35 35 LYS CB C 32.586 0.300 1 404 35 35 LYS CG C 25.762 0.300 1 405 35 35 LYS CD C 28.740 0.300 1 406 35 35 LYS CE C 42.042 0.300 1 407 35 35 LYS N N 118.140 0.300 1 408 36 36 HIS H H 7.861 0.030 1 409 36 36 HIS HA H 4.144 0.030 1 410 36 36 HIS HB2 H 3.526 0.030 2 411 36 36 HIS HB3 H 3.238 0.030 2 412 36 36 HIS HD2 H 7.218 0.030 1 413 36 36 HIS HE1 H 8.391 0.030 1 414 36 36 HIS C C 173.941 0.300 1 415 36 36 HIS CA C 56.161 0.300 1 416 36 36 HIS CB C 27.941 0.300 1 417 36 36 HIS CD2 C 119.679 0.300 1 418 36 36 HIS CE1 C 136.980 0.300 1 419 36 36 HIS N N 119.008 0.300 1 420 37 37 GLN H H 8.165 0.030 1 421 37 37 GLN HA H 5.230 0.030 1 422 37 37 GLN HB2 H 1.794 0.030 2 423 37 37 GLN HB3 H 1.962 0.030 2 424 37 37 GLN HG2 H 2.303 0.030 2 425 37 37 GLN HG3 H 2.168 0.030 2 426 37 37 GLN HE21 H 6.853 0.030 2 427 37 37 GLN HE22 H 7.816 0.030 2 428 37 37 GLN C C 173.383 0.300 1 429 37 37 GLN CA C 54.591 0.300 1 430 37 37 GLN CB C 33.696 0.300 1 431 37 37 GLN CG C 33.737 0.300 1 432 37 37 GLN N N 114.054 0.300 1 433 37 37 GLN NE2 N 111.077 0.300 1 434 38 38 LEU H H 9.006 0.030 1 435 38 38 LEU HA H 5.551 0.030 1 436 38 38 LEU HB2 H 1.841 0.030 2 437 38 38 LEU HB3 H 1.433 0.030 2 438 38 38 LEU HG H 1.635 0.030 1 439 38 38 LEU HD1 H 0.766 0.030 1 440 38 38 LEU HD2 H 0.963 0.030 1 441 38 38 LEU C C 175.055 0.300 1 442 38 38 LEU CA C 53.656 0.300 1 443 38 38 LEU CB C 45.084 0.300 1 444 38 38 LEU CG C 27.324 0.300 1 445 38 38 LEU CD1 C 25.241 0.300 2 446 38 38 LEU CD2 C 24.893 0.300 2 447 38 38 LEU N N 122.920 0.300 1 448 39 39 ARG H H 9.380 0.030 1 449 39 39 ARG HA H 5.111 0.030 1 450 39 39 ARG HB2 H 1.871 0.030 2 451 39 39 ARG HB3 H 1.642 0.030 2 452 39 39 ARG HG2 H 1.433 0.030 2 453 39 39 ARG HG3 H 1.661 0.030 2 454 39 39 ARG HD2 H 3.267 0.030 2 455 39 39 ARG HD3 H 3.474 0.030 2 456 39 39 ARG HE H 7.036 0.030 1 457 39 39 ARG C C 174.522 0.300 1 458 39 39 ARG CA C 54.715 0.300 1 459 39 39 ARG CB C 35.587 0.300 1 460 39 39 ARG CG C 28.557 0.300 1 461 39 39 ARG CD C 43.275 0.300 1 462 39 39 ARG N N 124.005 0.300 1 463 39 39 ARG NE N 80.213 0.300 1 464 40 40 TYR H H 7.585 0.030 1 465 40 40 TYR HA H 5.651 0.030 1 466 40 40 TYR HB2 H 1.616 0.030 2 467 40 40 TYR HB3 H 0.953 0.030 2 468 40 40 TYR HD1 H 6.212 0.030 1 469 40 40 TYR HD2 H 6.212 0.030 1 470 40 40 TYR HE1 H 6.444 0.030 1 471 40 40 TYR HE2 H 6.444 0.030 1 472 40 40 TYR C C 173.420 0.300 1 473 40 40 TYR CA C 54.591 0.300 1 474 40 40 TYR CB C 39.099 0.300 1 475 40 40 TYR CD1 C 133.779 0.300 1 476 40 40 TYR CD2 C 133.779 0.300 1 477 40 40 TYR CE1 C 116.836 0.300 1 478 40 40 TYR CE2 C 116.836 0.300 1 479 40 40 TYR N N 113.645 0.300 1 480 41 41 TYR H H 9.149 0.030 1 481 41 41 TYR HA H 4.540 0.030 1 482 41 41 TYR HB2 H 3.353 0.030 2 483 41 41 TYR HB3 H 2.797 0.030 2 484 41 41 TYR HD1 H 7.068 0.030 1 485 41 41 TYR HD2 H 7.068 0.030 1 486 41 41 TYR HE1 H 6.487 0.030 1 487 41 41 TYR HE2 H 6.487 0.030 1 488 41 41 TYR C C 175.418 0.300 1 489 41 41 TYR CA C 56.691 0.300 1 490 41 41 TYR CB C 43.316 0.300 1 491 41 41 TYR CD1 C 134.349 0.300 1 492 41 41 TYR CD2 C 134.349 0.300 1 493 41 41 TYR CE1 C 117.224 0.300 1 494 41 41 TYR CE2 C 117.224 0.300 1 495 41 41 TYR N N 118.385 0.300 1 496 42 42 ASP H H 9.856 0.030 1 497 42 42 ASP HA H 4.634 0.030 1 498 42 42 ASP HB2 H 2.716 0.030 2 499 42 42 ASP HB3 H 2.464 0.030 2 500 42 42 ASP C C 176.497 0.300 1 501 42 42 ASP CA C 57.890 0.300 1 502 42 42 ASP CB C 40.562 0.300 1 503 42 42 ASP N N 123.059 0.300 1 504 43 43 HIS H H 7.636 0.030 1 505 43 43 HIS HA H 4.683 0.030 1 506 43 43 HIS HB2 H 3.346 0.030 2 507 43 43 HIS HB3 H 2.968 0.030 2 508 43 43 HIS HD2 H 7.272 0.030 1 509 43 43 HIS HE1 H 8.133 0.030 1 510 43 43 HIS C C 174.038 0.300 1 511 43 43 HIS CA C 54.273 0.300 1 512 43 43 HIS CB C 31.720 0.300 1 513 43 43 HIS CD2 C 120.252 0.300 1 514 43 43 HIS CE1 C 137.062 0.300 1 515 43 43 HIS N N 112.242 0.300 1 516 44 44 ARG H H 8.511 0.030 1 517 44 44 ARG HA H 2.548 0.030 1 518 44 44 ARG HB2 H 0.259 0.030 2 519 44 44 ARG HB3 H 0.603 0.030 2 520 44 44 ARG HG2 H 0.746 0.030 2 521 44 44 ARG HG3 H 0.246 0.030 2 522 44 44 ARG HD2 H 2.436 0.030 2 523 44 44 ARG HD3 H 2.176 0.030 2 524 44 44 ARG C C 176.376 0.300 1 525 44 44 ARG CA C 58.790 0.300 1 526 44 44 ARG CB C 29.708 0.300 1 527 44 44 ARG CG C 26.041 0.300 1 528 44 44 ARG CD C 43.251 0.300 1 529 44 44 ARG N N 122.652 0.300 1 530 45 45 MET H H 8.206 0.030 1 531 45 45 MET HA H 4.216 0.030 1 532 45 45 MET HB2 H 1.951 0.030 2 533 45 45 MET HB3 H 2.208 0.030 2 534 45 45 MET HG2 H 2.243 0.030 2 535 45 45 MET HG3 H 2.471 0.030 2 536 45 45 MET C C 175.915 0.300 1 537 45 45 MET CA C 54.944 0.300 1 538 45 45 MET CB C 30.366 0.300 1 539 45 45 MET CG C 32.504 0.300 1 540 46 46 ASP H H 7.276 0.030 1 541 46 46 ASP HA H 4.465 0.030 1 542 46 46 ASP HB2 H 2.954 0.030 2 543 46 46 ASP HB3 H 2.557 0.030 2 544 46 46 ASP C C 175.831 0.300 1 545 46 46 ASP CA C 54.591 0.300 1 546 46 46 ASP CB C 41.795 0.300 1 547 46 46 ASP N N 121.791 0.300 1 548 47 47 THR H H 8.166 0.030 1 549 47 47 THR HA H 4.234 0.030 1 550 47 47 THR HB H 4.356 0.030 1 551 47 47 THR HG2 H 1.183 0.030 1 552 47 47 THR C C 175.564 0.300 1 553 47 47 THR CA C 62.424 0.300 1 554 47 47 THR CB C 69.193 0.300 1 555 47 47 THR CG2 C 21.815 0.300 1 556 47 47 THR N N 111.197 0.300 1 557 48 48 GLU H H 8.123 0.030 1 558 48 48 GLU HA H 4.534 0.030 1 559 48 48 GLU HB2 H 2.011 0.030 2 560 48 48 GLU HB3 H 1.945 0.030 2 561 48 48 GLU HG2 H 2.247 0.030 2 562 48 48 GLU HG3 H 2.107 0.030 2 563 48 48 GLU C C 174.365 0.300 1 564 48 48 GLU CA C 55.261 0.300 1 565 48 48 GLU CB C 30.161 0.300 1 566 48 48 GLU CG C 35.957 0.300 1 567 48 48 GLU N N 123.366 0.300 1 568 49 49 CYS H H 8.691 0.030 1 569 49 49 CYS HA H 3.506 0.030 1 570 49 49 CYS HB2 H 2.616 0.030 2 571 49 49 CYS HB3 H 2.316 0.030 2 572 49 49 CYS C C 174.958 0.300 1 573 49 49 CYS CA C 59.143 0.300 1 574 49 49 CYS CB C 26.725 0.300 1 575 49 49 CYS N N 125.656 0.300 1 576 50 50 LYS H H 8.591 0.030 1 577 50 50 LYS HA H 4.213 0.030 1 578 50 50 LYS HB2 H 1.734 0.030 2 579 50 50 LYS HB3 H 1.344 0.030 2 580 50 50 LYS HG2 H 1.542 0.030 2 581 50 50 LYS HG3 H 1.502 0.030 2 582 50 50 LYS HD2 H 1.606 0.030 1 583 50 50 LYS HD3 H 1.606 0.030 1 584 50 50 LYS HE2 H 3.024 0.030 1 585 50 50 LYS HE3 H 3.024 0.030 1 586 50 50 LYS C C 175.806 0.300 1 587 50 50 LYS CA C 54.520 0.300 1 588 50 50 LYS CB C 32.422 0.300 1 589 50 50 LYS CG C 23.788 0.300 1 590 50 50 LYS CD C 27.735 0.300 1 591 50 50 LYS CE C 41.960 0.300 1 592 50 50 LYS N N 126.894 0.300 1 593 51 51 GLY H H 6.799 0.030 1 594 51 51 GLY HA2 H 3.667 0.030 2 595 51 51 GLY HA3 H 3.194 0.030 2 596 51 51 GLY C C 169.652 0.300 1 597 51 51 GLY CA C 45.365 0.300 1 598 51 51 GLY N N 108.149 0.300 1 599 52 52 VAL H H 7.979 0.030 1 600 52 52 VAL HA H 4.554 0.030 1 601 52 52 VAL HB H 1.792 0.030 1 602 52 52 VAL HG1 H 0.714 0.030 1 603 52 52 VAL HG2 H 0.716 0.030 1 604 52 52 VAL C C 174.837 0.300 1 605 52 52 VAL CA C 60.748 0.300 1 606 52 52 VAL CB C 35.505 0.300 1 607 52 52 VAL CG1 C 20.841 0.300 2 608 52 52 VAL CG2 C 21.551 0.300 2 609 52 52 VAL N N 116.933 0.300 1 610 53 53 ILE H H 9.185 0.030 1 611 53 53 ILE HA H 4.147 0.030 1 612 53 53 ILE HB H 1.781 0.030 1 613 53 53 ILE HG12 H 0.677 0.030 2 614 53 53 ILE HG13 H 1.386 0.030 2 615 53 53 ILE HG2 H 0.554 0.030 1 616 53 53 ILE HD1 H 0.298 0.030 1 617 53 53 ILE C C 174.849 0.300 1 618 53 53 ILE CA C 60.731 0.300 1 619 53 53 ILE CB C 40.462 0.300 1 620 53 53 ILE CG1 C 27.551 0.300 1 621 53 53 ILE CG2 C 16.361 0.300 1 622 53 53 ILE CD1 C 13.511 0.300 1 623 53 53 ILE N N 127.754 0.300 1 624 54 54 ASP H H 9.028 0.030 1 625 54 54 ASP HA H 4.673 0.030 1 626 54 54 ASP HB2 H 2.974 0.030 2 627 54 54 ASP HB3 H 2.666 0.030 2 628 54 54 ASP C C 178.047 0.300 1 629 54 54 ASP CA C 54.309 0.300 1 630 54 54 ASP CB C 41.384 0.300 1 631 54 54 ASP N N 128.971 0.300 1 632 55 55 LEU H H 8.582 0.030 1 633 55 55 LEU HA H 4.037 0.030 1 634 55 55 LEU HB2 H 1.237 0.030 2 635 55 55 LEU HB3 H 1.028 0.030 2 636 55 55 LEU HG H 1.416 0.030 1 637 55 55 LEU HD1 H 0.692 0.030 1 638 55 55 LEU HD2 H 0.681 0.030 1 639 55 55 LEU C C 178.629 0.300 1 640 55 55 LEU CA C 56.990 0.300 1 641 55 55 LEU CB C 39.534 0.300 1 642 55 55 LEU CG C 27.091 0.300 1 643 55 55 LEU CD1 C 26.427 0.300 2 644 55 55 LEU CD2 C 22.444 0.300 2 645 55 55 LEU N N 125.547 0.300 1 646 56 56 ALA H H 8.949 0.030 1 647 56 56 ALA HA H 4.318 0.030 1 648 56 56 ALA HB H 1.503 0.030 1 649 56 56 ALA C C 179.016 0.300 1 650 56 56 ALA CA C 54.326 0.300 1 651 56 56 ALA CB C 18.650 0.300 1 652 56 56 ALA N N 121.458 0.300 1 653 57 57 GLU H H 7.794 0.030 1 654 57 57 GLU HA H 4.485 0.030 1 655 57 57 GLU HB2 H 2.498 0.030 2 656 57 57 GLU HB3 H 2.268 0.030 2 657 57 57 GLU HG2 H 2.375 0.030 2 658 57 57 GLU HG3 H 2.305 0.030 2 659 57 57 GLU C C 176.085 0.300 1 660 57 57 GLU CA C 55.420 0.300 1 661 57 57 GLU CB C 30.243 0.300 1 662 57 57 GLU CG C 36.697 0.300 1 663 57 57 GLU N N 113.991 0.300 1 664 58 58 VAL H H 7.351 0.030 1 665 58 58 VAL HA H 3.868 0.030 1 666 58 58 VAL HB H 2.288 0.030 1 667 58 58 VAL HG1 H 0.841 0.030 1 668 58 58 VAL HG2 H 0.880 0.030 1 669 58 58 VAL C C 174.970 0.300 1 670 58 58 VAL CA C 63.924 0.300 1 671 58 58 VAL CB C 31.065 0.300 1 672 58 58 VAL CG1 C 22.903 0.300 2 673 58 58 VAL CG2 C 23.526 0.300 2 674 58 58 VAL N N 119.603 0.300 1 675 59 59 GLU H H 9.317 0.030 1 676 59 59 GLU HA H 4.375 0.030 1 677 59 59 GLU HB2 H 1.968 0.030 2 678 59 59 GLU HB3 H 1.708 0.030 2 679 59 59 GLU HG2 H 2.091 0.030 2 680 59 59 GLU HG3 H 2.199 0.030 2 681 59 59 GLU C C 176.642 0.300 1 682 59 59 GLU CA C 56.743 0.300 1 683 59 59 GLU CB C 32.070 0.300 1 684 59 59 GLU CG C 36.204 0.300 1 685 59 59 GLU N N 126.754 0.300 1 686 60 60 ALA H H 7.766 0.030 1 687 60 60 ALA HA H 4.601 0.030 1 688 60 60 ALA HB H 1.399 0.030 1 689 60 60 ALA C C 174.813 0.300 1 690 60 60 ALA CA C 52.227 0.300 1 691 60 60 ALA CB C 22.596 0.300 1 692 60 60 ALA N N 118.250 0.300 1 693 61 61 VAL H H 8.609 0.030 1 694 61 61 VAL HA H 5.240 0.030 1 695 61 61 VAL HB H 1.990 0.030 1 696 61 61 VAL HG1 H 1.016 0.030 1 697 61 61 VAL HG2 H 1.064 0.030 1 698 61 61 VAL C C 174.038 0.300 1 699 61 61 VAL CA C 60.572 0.300 1 700 61 61 VAL CB C 33.902 0.300 1 701 61 61 VAL CG1 C 22.334 0.300 2 702 61 61 VAL CG2 C 21.632 0.300 2 703 61 61 VAL N N 120.174 0.300 1 704 62 62 ALA H H 8.984 0.030 1 705 62 62 ALA HA H 5.107 0.030 1 706 62 62 ALA HB H 1.426 0.030 1 707 62 62 ALA C C 173.638 0.300 1 708 62 62 ALA CA C 49.969 0.300 1 709 62 62 ALA CB C 21.568 0.300 1 710 62 62 ALA N N 129.706 0.300 1 711 63 63 PRO HA H 4.634 0.030 1 712 63 63 PRO HB2 H 2.636 0.030 2 713 63 63 PRO HB3 H 1.977 0.030 2 714 63 63 PRO HG2 H 2.094 0.030 2 715 63 63 PRO HG3 H 2.204 0.030 2 716 63 63 PRO HD2 H 3.703 0.030 2 717 63 63 PRO HD3 H 3.888 0.030 2 718 63 63 PRO C C 176.618 0.300 1 719 63 63 PRO CA C 63.835 0.300 1 720 63 63 PRO CB C 32.357 0.300 1 721 63 63 PRO CG C 28.064 0.300 1 722 63 63 PRO CD C 50.840 0.300 1 723 64 64 GLY H H 7.900 0.030 1 724 64 64 GLY HA2 H 4.703 0.030 2 725 64 64 GLY HA3 H 3.646 0.030 2 726 64 64 GLY C C 172.596 0.300 1 727 64 64 GLY CA C 43.289 0.300 1 728 64 64 GLY N N 111.408 0.300 1 729 65 65 THR H H 8.409 0.030 1 730 65 65 THR HA H 4.716 0.030 1 731 65 65 THR HB H 3.885 0.030 1 732 65 65 THR HG2 H 1.101 0.030 1 733 65 65 THR C C 171.578 0.300 1 734 65 65 THR CA C 58.860 0.300 1 735 65 65 THR CB C 71.330 0.300 1 736 65 65 THR CG2 C 20.761 0.300 1 737 65 65 THR N N 114.191 0.300 1 738 66 66 PRO HA H 3.113 0.030 1 739 66 66 PRO HB2 H 1.291 0.030 2 740 66 66 PRO HB3 H 1.389 0.030 2 741 66 66 PRO HG2 H 0.923 0.030 2 742 66 66 PRO HG3 H 1.654 0.030 2 743 66 66 PRO HD2 H 3.485 0.030 2 744 66 66 PRO HD3 H 3.117 0.030 2 745 66 66 PRO C C 175.746 0.300 1 746 66 66 PRO CA C 62.989 0.300 1 747 66 66 PRO CB C 31.260 0.300 1 748 66 66 PRO CG C 26.666 0.300 1 749 66 66 PRO CD C 50.429 0.300 1 750 67 67 THR H H 6.216 0.030 1 751 67 67 THR HA H 4.508 0.030 1 752 67 67 THR HB H 4.423 0.030 1 753 67 67 THR HG2 H 1.270 0.030 1 754 67 67 THR C C 174.438 0.300 1 755 67 67 THR CA C 59.442 0.300 1 756 67 67 THR CB C 71.495 0.300 1 757 67 67 THR CG2 C 21.505 0.300 1 758 67 67 THR N N 111.452 0.300 1 759 68 68 ILE H H 8.183 0.030 1 760 68 68 ILE HA H 3.800 0.030 1 761 68 68 ILE HB H 1.799 0.030 1 762 68 68 ILE HG12 H 1.202 0.030 2 763 68 68 ILE HG13 H 1.543 0.030 2 764 68 68 ILE HG2 H 0.900 0.030 1 765 68 68 ILE HD1 H 0.866 0.030 1 766 68 68 ILE C C 176.485 0.300 1 767 68 68 ILE CA C 63.254 0.300 1 768 68 68 ILE CB C 37.784 0.300 1 769 68 68 ILE CG1 C 28.246 0.300 1 770 68 68 ILE CG2 C 17.154 0.300 1 771 68 68 ILE CD1 C 12.912 0.300 1 772 68 68 ILE N N 121.354 0.300 1 773 69 69 GLY H H 8.766 0.030 1 774 69 69 GLY HA2 H 4.374 0.030 2 775 69 69 GLY HA3 H 3.542 0.030 2 776 69 69 GLY C C 174.401 0.300 1 777 69 69 GLY CA C 44.782 0.300 1 778 69 69 GLY N N 116.654 0.300 1 779 70 70 ALA H H 7.497 0.030 1 780 70 70 ALA HA H 2.752 0.030 1 781 70 70 ALA HB H 0.580 0.030 1 782 70 70 ALA C C 174.122 0.300 1 783 70 70 ALA CA C 50.111 0.300 1 784 70 70 ALA CB C 16.782 0.300 1 785 70 70 ALA N N 125.217 0.300 1 786 71 71 PRO HA H 4.117 0.030 1 787 71 71 PRO HB2 H 1.749 0.030 2 788 71 71 PRO HB3 H 1.395 0.030 2 789 71 71 PRO HG2 H 0.743 0.030 2 790 71 71 PRO HG3 H 0.981 0.030 2 791 71 71 PRO HD2 H 2.714 0.030 2 792 71 71 PRO HD3 H 2.569 0.030 2 793 71 71 PRO C C 178.023 0.300 1 794 71 71 PRO CA C 63.024 0.300 1 795 71 71 PRO CB C 31.188 0.300 1 796 71 71 PRO CG C 27.406 0.300 1 797 71 71 PRO CD C 49.606 0.300 1 798 72 72 LYS H H 8.534 0.030 1 799 72 72 LYS HA H 4.097 0.030 1 800 72 72 LYS HB2 H 1.860 0.030 2 801 72 72 LYS HB3 H 1.736 0.030 2 802 72 72 LYS HG2 H 1.486 0.030 2 803 72 72 LYS HG3 H 1.437 0.030 2 804 72 72 LYS HD2 H 1.646 0.030 1 805 72 72 LYS HD3 H 1.646 0.030 1 806 72 72 LYS HE2 H 2.964 0.030 1 807 72 72 LYS HE3 H 2.964 0.030 1 808 72 72 LYS C C 177.430 0.300 1 809 72 72 LYS CA C 57.520 0.300 1 810 72 72 LYS CB C 32.668 0.300 1 811 72 72 LYS CG C 25.001 0.300 1 812 72 72 LYS CD C 28.886 0.300 1 813 72 72 LYS CE C 42.124 0.300 1 814 72 72 LYS N N 122.976 0.300 1 815 73 73 THR H H 7.466 0.030 1 816 73 73 THR HA H 4.209 0.030 1 817 73 73 THR HB H 4.504 0.030 1 818 73 73 THR HG2 H 1.160 0.030 1 819 73 73 THR C C 174.038 0.300 1 820 73 73 THR CA C 61.418 0.300 1 821 73 73 THR CB C 68.559 0.300 1 822 73 73 THR CG2 C 21.979 0.300 1 823 73 73 THR N N 106.290 0.300 1 824 74 74 VAL H H 6.676 0.030 1 825 74 74 VAL HA H 4.119 0.030 1 826 74 74 VAL HB H 1.672 0.030 1 827 74 74 VAL HG1 H 0.800 0.030 1 828 74 74 VAL HG2 H 0.610 0.030 1 829 74 74 VAL C C 175.140 0.300 1 830 74 74 VAL CA C 61.577 0.300 1 831 74 74 VAL CB C 33.385 0.300 1 832 74 74 VAL CG1 C 22.182 0.300 2 833 74 74 VAL CG2 C 21.063 0.300 2 834 74 74 VAL N N 120.100 0.300 1 835 75 75 ASP H H 8.444 0.030 1 836 75 75 ASP HA H 4.355 0.030 1 837 75 75 ASP HB2 H 2.638 0.030 2 838 75 75 ASP HB3 H 2.491 0.030 2 839 75 75 ASP C C 176.751 0.300 1 840 75 75 ASP CA C 55.014 0.300 1 841 75 75 ASP CB C 43.992 0.300 1 842 75 75 ASP N N 127.493 0.300 1 843 76 76 GLU H H 8.826 0.030 1 844 76 76 GLU HA H 4.097 0.030 1 845 76 76 GLU HB2 H 2.030 0.030 1 846 76 76 GLU HB3 H 2.030 0.030 1 847 76 76 GLU HG2 H 2.263 0.030 1 848 76 76 GLU HG3 H 2.263 0.030 1 849 76 76 GLU C C 177.890 0.300 1 850 76 76 GLU CA C 59.566 0.300 1 851 76 76 GLU CB C 29.174 0.300 1 852 76 76 GLU CG C 35.875 0.300 1 853 76 76 GLU N N 124.551 0.300 1 854 77 77 LYS H H 9.363 0.030 1 855 77 77 LYS HA H 4.594 0.030 1 856 77 77 LYS HB2 H 2.082 0.030 2 857 77 77 LYS HB3 H 1.845 0.030 2 858 77 77 LYS HG2 H 1.649 0.030 2 859 77 77 LYS HG3 H 1.561 0.030 2 860 77 77 LYS HD2 H 1.806 0.030 2 861 77 77 LYS HD3 H 1.756 0.030 2 862 77 77 LYS HE2 H 3.046 0.030 1 863 77 77 LYS HE3 H 3.046 0.030 1 864 77 77 LYS C C 176.909 0.300 1 865 77 77 LYS CA C 57.361 0.300 1 866 77 77 LYS CB C 31.271 0.300 1 867 77 77 LYS CG C 25.844 0.300 1 868 77 77 LYS CD C 28.557 0.300 1 869 77 77 LYS CE C 41.960 0.300 1 870 77 77 LYS N N 118.520 0.300 1 871 78 78 ALA H H 8.536 0.030 1 872 78 78 ALA HA H 4.435 0.030 1 873 78 78 ALA HB H 1.205 0.030 1 874 78 78 ALA C C 175.370 0.300 1 875 78 78 ALA CA C 51.627 0.300 1 876 78 78 ALA CB C 18.526 0.300 1 877 78 78 ALA N N 122.120 0.300 1 878 79 79 PHE H H 7.479 0.030 1 879 79 79 PHE HA H 4.832 0.030 1 880 79 79 PHE HB2 H 3.024 0.030 1 881 79 79 PHE HB3 H 3.024 0.030 1 882 79 79 PHE HD1 H 7.364 0.030 1 883 79 79 PHE HD2 H 7.364 0.030 1 884 79 79 PHE HE1 H 6.663 0.030 1 885 79 79 PHE HE2 H 6.663 0.030 1 886 79 79 PHE HZ H 6.791 0.030 1 887 79 79 PHE C C 177.224 0.300 1 888 79 79 PHE CA C 57.731 0.300 1 889 79 79 PHE CB C 39.246 0.300 1 890 79 79 PHE CD1 C 131.832 0.300 1 891 79 79 PHE CD2 C 131.832 0.300 1 892 79 79 PHE CE1 C 131.607 0.300 1 893 79 79 PHE CE2 C 131.607 0.300 1 894 79 79 PHE CZ C 130.049 0.300 1 895 79 79 PHE N N 117.417 0.300 1 896 80 80 PHE H H 8.535 0.030 1 897 80 80 PHE HA H 5.229 0.030 1 898 80 80 PHE HB2 H 2.973 0.030 2 899 80 80 PHE HB3 H 2.714 0.030 2 900 80 80 PHE HD1 H 6.818 0.030 1 901 80 80 PHE HD2 H 6.818 0.030 1 902 80 80 PHE HE1 H 6.573 0.030 1 903 80 80 PHE HE2 H 6.573 0.030 1 904 80 80 PHE HZ H 6.246 0.030 1 905 80 80 PHE C C 170.246 0.300 1 906 80 80 PHE CA C 56.567 0.300 1 907 80 80 PHE CB C 41.014 0.300 1 908 80 80 PHE CD1 C 132.185 0.300 1 909 80 80 PHE CD2 C 132.185 0.300 1 910 80 80 PHE CE1 C 129.460 0.300 1 911 80 80 PHE CE2 C 129.460 0.300 1 912 80 80 PHE CZ C 129.436 0.300 1 913 80 80 PHE N N 121.375 0.300 1 914 81 81 ASP H H 9.585 0.030 1 915 81 81 ASP HA H 5.757 0.030 1 916 81 81 ASP HB2 H 2.474 0.030 2 917 81 81 ASP HB3 H 2.312 0.030 2 918 81 81 ASP C C 175.988 0.300 1 919 81 81 ASP CA C 52.032 0.300 1 920 81 81 ASP CB C 43.522 0.300 1 921 81 81 ASP N N 120.912 0.300 1 922 82 82 VAL H H 8.974 0.030 1 923 82 82 VAL HA H 4.683 0.030 1 924 82 82 VAL HB H 2.166 0.030 1 925 82 82 VAL HG1 H 0.992 0.030 1 926 82 82 VAL HG2 H 1.163 0.030 1 927 82 82 VAL C C 174.183 0.300 1 928 82 82 VAL CA C 61.683 0.300 1 929 82 82 VAL CB C 34.586 0.300 1 930 82 82 VAL CG1 C 22.308 0.300 2 931 82 82 VAL CG2 C 22.161 0.300 2 932 82 82 VAL N N 120.924 0.300 1 933 83 83 LYS H H 9.136 0.030 1 934 83 83 LYS HA H 4.832 0.030 1 935 83 83 LYS HB2 H 1.983 0.030 2 936 83 83 LYS HB3 H 1.879 0.030 2 937 83 83 LYS HG2 H 1.365 0.030 1 938 83 83 LYS HG3 H 1.365 0.030 1 939 83 83 LYS HD2 H 1.607 0.030 1 940 83 83 LYS HD3 H 1.607 0.030 1 941 83 83 LYS HE2 H 2.875 0.030 1 942 83 83 LYS HE3 H 2.875 0.030 1 943 83 83 LYS C C 176.182 0.300 1 944 83 83 LYS CA C 56.179 0.300 1 945 83 83 LYS CB C 33.984 0.300 1 946 83 83 LYS CG C 25.351 0.300 1 947 83 83 LYS CD C 29.462 0.300 1 948 83 83 LYS CE C 42.124 0.300 1 949 83 83 LYS N N 128.775 0.300 1 950 84 84 THR H H 8.962 0.030 1 951 84 84 THR HA H 5.619 0.030 1 952 84 84 THR HB H 4.713 0.030 1 953 84 84 THR HG2 H 1.369 0.030 1 954 84 84 THR C C 174.183 0.300 1 955 84 84 THR CA C 59.266 0.300 1 956 84 84 THR CB C 71.642 0.300 1 957 84 84 THR CG2 C 22.144 0.300 1 958 84 84 THR N N 118.029 0.300 1 959 85 85 THR H H 8.623 0.030 1 960 85 85 THR HA H 4.052 0.030 1 961 85 85 THR HB H 4.227 0.030 1 962 85 85 THR HG2 H 1.354 0.030 1 963 85 85 THR C C 175.709 0.300 1 964 85 85 THR CA C 64.947 0.300 1 965 85 85 THR CB C 68.946 0.300 1 966 85 85 THR CG2 C 22.637 0.300 1 967 85 85 THR N N 111.798 0.300 1 968 86 86 ARG H H 7.936 0.030 1 969 86 86 ARG HA H 4.466 0.030 1 970 86 86 ARG HB2 H 1.861 0.030 2 971 86 86 ARG HB3 H 1.713 0.030 2 972 86 86 ARG HG2 H 1.583 0.030 2 973 86 86 ARG HG3 H 1.633 0.030 2 974 86 86 ARG HD2 H 3.227 0.030 2 975 86 86 ARG HD3 H 3.184 0.030 2 976 86 86 ARG C C 176.012 0.300 1 977 86 86 ARG CA C 56.673 0.300 1 978 86 86 ARG CB C 32.874 0.300 1 979 86 86 ARG CG C 27.488 0.300 1 980 86 86 ARG CD C 43.131 0.300 1 981 86 86 ARG N N 116.293 0.300 1 982 87 87 ARG H H 7.684 0.030 1 983 87 87 ARG HA H 4.534 0.030 1 984 87 87 ARG HB2 H 1.692 0.030 2 985 87 87 ARG HB3 H 1.545 0.030 2 986 87 87 ARG HG2 H 0.728 0.030 2 987 87 87 ARG HG3 H 1.101 0.030 2 988 87 87 ARG HD2 H 2.815 0.030 1 989 87 87 ARG HD3 H 2.815 0.030 1 990 87 87 ARG C C 173.383 0.300 1 991 87 87 ARG CA C 55.685 0.300 1 992 87 87 ARG CB C 32.398 0.300 1 993 87 87 ARG CG C 24.988 0.300 1 994 87 87 ARG CD C 43.029 0.300 1 995 87 87 ARG N N 116.250 0.300 1 996 88 88 VAL H H 8.375 0.030 1 997 88 88 VAL HA H 4.633 0.030 1 998 88 88 VAL HB H 1.831 0.030 1 999 88 88 VAL HG1 H 0.706 0.030 1 1000 88 88 VAL HG2 H 0.909 0.030 1 1001 88 88 VAL C C 174.934 0.300 1 1002 88 88 VAL CA C 61.577 0.300 1 1003 88 88 VAL CB C 33.778 0.300 1 1004 88 88 VAL CG1 C 21.344 0.300 2 1005 88 88 VAL CG2 C 22.022 0.300 2 1006 88 88 VAL N N 121.275 0.300 1 1007 89 89 TYR H H 9.029 0.030 1 1008 89 89 TYR HA H 4.174 0.030 1 1009 89 89 TYR HB2 H 2.544 0.030 2 1010 89 89 TYR HB3 H 1.946 0.030 2 1011 89 89 TYR HD1 H 6.858 0.030 1 1012 89 89 TYR HD2 H 6.858 0.030 1 1013 89 89 TYR HE1 H 6.742 0.030 1 1014 89 89 TYR HE2 H 6.742 0.030 1 1015 89 89 TYR C C 173.577 0.300 1 1016 89 89 TYR CA C 56.867 0.300 1 1017 89 89 TYR CB C 41.138 0.300 1 1018 89 89 TYR CD1 C 132.835 0.300 1 1019 89 89 TYR CD2 C 132.835 0.300 1 1020 89 89 TYR CE1 C 118.001 0.300 1 1021 89 89 TYR CE2 C 118.001 0.300 1 1022 89 89 TYR N N 127.090 0.300 1 1023 90 90 ASN H H 8.046 0.030 1 1024 90 90 ASN HA H 5.173 0.030 1 1025 90 90 ASN HB2 H 2.825 0.030 2 1026 90 90 ASN HB3 H 1.923 0.030 2 1027 90 90 ASN HD21 H 6.615 0.030 2 1028 90 90 ASN HD22 H 7.969 0.030 2 1029 90 90 ASN C C 172.039 0.300 1 1030 90 90 ASN CA C 53.127 0.300 1 1031 90 90 ASN CB C 41.604 0.300 1 1032 90 90 ASN N N 121.018 0.300 1 1033 90 90 ASN ND2 N 111.836 0.300 1 1034 91 91 PHE H H 8.376 0.030 1 1035 91 91 PHE HA H 5.916 0.030 1 1036 91 91 PHE HB2 H 2.074 0.030 2 1037 91 91 PHE HB3 H 1.324 0.030 2 1038 91 91 PHE HD1 H 6.558 0.030 1 1039 91 91 PHE HD2 H 6.558 0.030 1 1040 91 91 PHE HE1 H 6.497 0.030 1 1041 91 91 PHE HE2 H 6.497 0.030 1 1042 91 91 PHE HZ H 6.338 0.030 1 1043 91 91 PHE C C 178.677 0.300 1 1044 91 91 PHE CA C 55.349 0.300 1 1045 91 91 PHE CB C 43.458 0.300 1 1046 91 91 PHE CD1 C 131.464 0.300 1 1047 91 91 PHE CD2 C 131.464 0.300 1 1048 91 91 PHE CE1 C 129.460 0.300 1 1049 91 91 PHE CE2 C 129.460 0.300 1 1050 91 91 PHE CZ C 127.024 0.300 1 1051 91 91 PHE N N 118.977 0.300 1 1052 92 92 CYS H H 8.575 0.030 1 1053 92 92 CYS HA H 4.862 0.030 1 1054 92 92 CYS HB2 H 1.907 0.030 2 1055 92 92 CYS HB3 H 1.424 0.030 2 1056 92 92 CYS C C 172.729 0.300 1 1057 92 92 CYS CA C 57.590 0.300 1 1058 92 92 CYS CB C 29.544 0.300 1 1059 92 92 CYS N N 113.769 0.300 1 1060 93 93 ALA H H 7.876 0.030 1 1061 93 93 ALA HA H 4.964 0.030 1 1062 93 93 ALA HB H 1.808 0.030 1 1063 93 93 ALA C C 174.776 0.300 1 1064 93 93 ALA CA C 49.933 0.300 1 1065 93 93 ALA CB C 21.240 0.300 1 1066 93 93 ALA N N 123.714 0.300 1 1067 94 94 GLN H H 8.935 0.030 1 1068 94 94 GLN HA H 4.097 0.030 1 1069 94 94 GLN HB2 H 2.166 0.030 1 1070 94 94 GLN HB3 H 2.166 0.030 1 1071 94 94 GLN HG2 H 2.493 0.030 2 1072 94 94 GLN HG3 H 2.436 0.030 2 1073 94 94 GLN HE21 H 7.630 0.030 2 1074 94 94 GLN HE22 H 7.060 0.030 2 1075 94 94 GLN C C 175.806 0.300 1 1076 94 94 GLN CA C 58.207 0.300 1 1077 94 94 GLN CB C 30.261 0.300 1 1078 94 94 GLN CG C 34.888 0.300 1 1079 94 94 GLN N N 112.142 0.300 1 1080 94 94 GLN NE2 N 113.075 0.300 1 1081 95 95 ASP H H 7.625 0.030 1 1082 95 95 ASP HA H 4.663 0.030 1 1083 95 95 ASP HB2 H 3.073 0.030 1 1084 95 95 ASP HB3 H 3.073 0.030 1 1085 95 95 ASP C C 174.668 0.300 1 1086 95 95 ASP CA C 52.227 0.300 1 1087 95 95 ASP CB C 42.248 0.300 1 1088 95 95 ASP N N 110.423 0.300 1 1089 96 96 VAL H H 8.975 0.030 1 1090 96 96 VAL HA H 3.701 0.030 1 1091 96 96 VAL HB H 2.304 0.030 1 1092 96 96 VAL HG1 H 0.935 0.030 1 1093 96 96 VAL HG2 H 1.004 0.030 1 1094 96 96 VAL C C 174.655 0.300 1 1095 96 96 VAL CA C 68.810 0.300 1 1096 96 96 VAL CB C 29.454 0.300 1 1097 96 96 VAL CG1 C 21.278 0.300 2 1098 96 96 VAL CG2 C 24.984 0.300 2 1099 96 96 VAL N N 118.905 0.300 1 1100 97 97 PRO HA H 4.385 0.030 1 1101 97 97 PRO HB2 H 2.334 0.030 2 1102 97 97 PRO HB3 H 1.871 0.030 2 1103 97 97 PRO HG2 H 2.171 0.030 2 1104 97 97 PRO HG3 H 1.962 0.030 2 1105 97 97 PRO HD2 H 3.863 0.030 2 1106 97 97 PRO HD3 H 3.776 0.030 2 1107 97 97 PRO C C 180.301 0.300 1 1108 97 97 PRO CA C 66.199 0.300 1 1109 97 97 PRO CB C 30.695 0.300 1 1110 97 97 PRO CG C 28.357 0.300 1 1111 97 97 PRO CD C 49.570 0.300 1 1112 98 98 SER H H 8.315 0.030 1 1113 98 98 SER HA H 4.337 0.030 1 1114 98 98 SER HB2 H 4.127 0.030 1 1115 98 98 SER HB3 H 4.127 0.030 1 1116 98 98 SER C C 176.170 0.300 1 1117 98 98 SER CA C 62.177 0.300 1 1118 98 98 SER CB C 62.798 0.300 1 1119 98 98 SER N N 112.377 0.300 1 1120 99 99 ALA H H 8.097 0.030 1 1121 99 99 ALA HA H 4.019 0.030 1 1122 99 99 ALA HB H 1.752 0.030 1 1123 99 99 ALA C C 178.568 0.300 1 1124 99 99 ALA CA C 56.179 0.300 1 1125 99 99 ALA CB C 18.732 0.300 1 1126 99 99 ALA N N 125.253 0.300 1 1127 100 100 GLN H H 8.389 0.030 1 1128 100 100 GLN HA H 3.754 0.030 1 1129 100 100 GLN HB2 H 2.185 0.030 2 1130 100 100 GLN HB3 H 2.000 0.030 2 1131 100 100 GLN HG2 H 2.311 0.030 2 1132 100 100 GLN HG3 H 2.527 0.030 2 1133 100 100 GLN HE21 H 7.540 0.030 2 1134 100 100 GLN HE22 H 6.725 0.030 2 1135 100 100 GLN C C 178.726 0.300 1 1136 100 100 GLN CA C 58.754 0.300 1 1137 100 100 GLN CB C 28.105 0.300 1 1138 100 100 GLN CG C 33.984 0.300 1 1139 100 100 GLN N N 115.660 0.300 1 1140 100 100 GLN NE2 N 112.507 0.300 1 1141 101 101 GLN H H 7.576 0.030 1 1142 101 101 GLN HA H 3.769 0.030 1 1143 101 101 GLN HB2 H 2.099 0.030 2 1144 101 101 GLN HB3 H 1.429 0.030 2 1145 101 101 GLN HG2 H 2.312 0.030 1 1146 101 101 GLN HG3 H 2.312 0.030 1 1147 101 101 GLN HE21 H 6.871 0.030 2 1148 101 101 GLN HE22 H 7.468 0.030 2 1149 101 101 GLN C C 178.120 0.300 1 1150 101 101 GLN CA C 58.719 0.300 1 1151 101 101 GLN CB C 28.105 0.300 1 1152 101 101 GLN CG C 33.655 0.300 1 1153 101 101 GLN N N 117.483 0.300 1 1154 101 101 GLN NE2 N 113.290 0.300 1 1155 102 102 TRP H H 8.109 0.030 1 1156 102 102 TRP HA H 3.699 0.030 1 1157 102 102 TRP HB2 H 2.807 0.030 2 1158 102 102 TRP HB3 H 2.558 0.030 2 1159 102 102 TRP HD1 H 7.156 0.030 1 1160 102 102 TRP HE1 H 10.178 0.030 1 1161 102 102 TRP HE3 H 7.220 0.030 1 1162 102 102 TRP HZ2 H 6.691 0.030 1 1163 102 102 TRP HZ3 H 6.746 0.030 1 1164 102 102 TRP HH2 H 6.698 0.030 1 1165 102 102 TRP C C 178.314 0.300 1 1166 102 102 TRP CA C 61.789 0.300 1 1167 102 102 TRP CB C 30.161 0.300 1 1168 102 102 TRP CD1 C 127.475 0.300 1 1169 102 102 TRP CE3 C 118.391 0.300 1 1170 102 102 TRP CZ2 C 114.646 0.300 1 1171 102 102 TRP CZ3 C 120.866 0.300 1 1172 102 102 TRP CH2 C 124.160 0.300 1 1173 102 102 TRP N N 119.432 0.300 1 1174 102 102 TRP NE1 N 129.253 0.300 1 1175 103 103 VAL H H 7.969 0.030 1 1176 103 103 VAL HA H 3.026 0.030 1 1177 103 103 VAL HB H 1.765 0.030 1 1178 103 103 VAL HG1 H 0.706 0.030 1 1179 103 103 VAL HG2 H 0.364 0.030 1 1180 103 103 VAL C C 177.635 0.300 1 1181 103 103 VAL CA C 67.522 0.300 1 1182 103 103 VAL CB C 31.500 0.300 1 1183 103 103 VAL CG1 C 20.911 0.300 2 1184 103 103 VAL CG2 C 22.534 0.300 2 1185 103 103 VAL N N 117.478 0.300 1 1186 104 104 ASP H H 7.856 0.030 1 1187 104 104 ASP HA H 4.236 0.030 1 1188 104 104 ASP HB2 H 2.625 0.030 2 1189 104 104 ASP HB3 H 2.489 0.030 2 1190 104 104 ASP C C 179.755 0.300 1 1191 104 104 ASP CA C 57.414 0.300 1 1192 104 104 ASP CB C 41.137 0.300 1 1193 104 104 ASP N N 118.193 0.300 1 1194 105 105 ARG H H 8.384 0.030 1 1195 105 105 ARG HA H 3.855 0.030 1 1196 105 105 ARG HB2 H 1.306 0.030 2 1197 105 105 ARG HB3 H 1.338 0.030 2 1198 105 105 ARG HG2 H 1.117 0.030 2 1199 105 105 ARG HG3 H 1.256 0.030 2 1200 105 105 ARG HD2 H 1.816 0.030 2 1201 105 105 ARG HD3 H 2.406 0.030 2 1202 105 105 ARG C C 180.349 0.300 1 1203 105 105 ARG CA C 58.984 0.300 1 1204 105 105 ARG CB C 29.133 0.300 1 1205 105 105 ARG CG C 28.231 0.300 1 1206 105 105 ARG CD C 42.535 0.300 1 1207 105 105 ARG N N 118.740 0.300 1 1208 106 106 ILE H H 8.842 0.030 1 1209 106 106 ILE HA H 3.553 0.030 1 1210 106 106 ILE HB H 1.811 0.030 1 1211 106 106 ILE HG12 H 0.826 0.030 2 1212 106 106 ILE HG13 H 2.266 0.030 2 1213 106 106 ILE HG2 H 0.802 0.030 1 1214 106 106 ILE HD1 H 0.816 0.030 1 1215 106 106 ILE C C 178.229 0.300 1 1216 106 106 ILE CA C 66.888 0.300 1 1217 106 106 ILE CB C 37.807 0.300 1 1218 106 106 ILE CG1 C 30.613 0.300 1 1219 106 106 ILE CG2 C 17.506 0.300 1 1220 106 106 ILE CD1 C 13.883 0.300 1 1221 106 106 ILE N N 120.928 0.300 1 1222 107 107 GLN H H 8.600 0.030 1 1223 107 107 GLN HA H 3.878 0.030 1 1224 107 107 GLN HB2 H 2.278 0.030 2 1225 107 107 GLN HB3 H 2.076 0.030 2 1226 107 107 GLN HG2 H 2.484 0.030 2 1227 107 107 GLN HG3 H 2.312 0.030 2 1228 107 107 GLN HE21 H 7.194 0.030 2 1229 107 107 GLN HE22 H 6.886 0.030 2 1230 107 107 GLN C C 179.283 0.300 1 1231 107 107 GLN CA C 59.619 0.300 1 1232 107 107 GLN CB C 28.270 0.300 1 1233 107 107 GLN CG C 34.560 0.300 1 1234 107 107 GLN N N 117.974 0.300 1 1235 107 107 GLN NE2 N 111.611 0.300 1 1236 108 108 SER H H 8.016 0.030 1 1237 108 108 SER HA H 4.324 0.030 1 1238 108 108 SER HB2 H 4.014 0.030 1 1239 108 108 SER HB3 H 4.014 0.030 1 1240 108 108 SER C C 175.891 0.300 1 1241 108 108 SER CA C 61.277 0.300 1 1242 108 108 SER CB C 63.027 0.300 1 1243 108 108 SER N N 114.053 0.300 1 1244 109 109 CYS H H 7.665 0.030 1 1245 109 109 CYS HA H 4.476 0.030 1 1246 109 109 CYS HB2 H 3.122 0.030 2 1247 109 109 CYS HB3 H 2.917 0.030 2 1248 109 109 CYS C C 175.443 0.300 1 1249 109 109 CYS CA C 61.242 0.300 1 1250 109 109 CYS CB C 28.246 0.300 1 1251 109 109 CYS N N 118.743 0.300 1 1252 110 110 LEU H H 7.664 0.030 1 1253 110 110 LEU HA H 4.346 0.030 1 1254 110 110 LEU HB2 H 1.910 0.030 2 1255 110 110 LEU HB3 H 1.645 0.030 2 1256 110 110 LEU HG H 2.048 0.030 1 1257 110 110 LEU HD1 H 0.814 0.030 1 1258 110 110 LEU HD2 H 0.754 0.030 1 1259 110 110 LEU C C 178.011 0.300 1 1260 110 110 LEU CA C 55.720 0.300 1 1261 110 110 LEU CB C 40.973 0.300 1 1262 110 110 LEU CG C 25.941 0.300 1 1263 110 110 LEU CD1 C 25.351 0.300 2 1264 110 110 LEU CD2 C 22.809 0.300 2 1265 110 110 LEU N N 119.151 0.300 1 1266 111 111 SER H H 8.221 0.030 1 1267 111 111 SER HA H 4.478 0.030 1 1268 111 111 SER HB2 H 3.918 0.030 1 1269 111 111 SER HB3 H 3.918 0.030 1 1270 111 111 SER C C 174.728 0.300 1 1271 111 111 SER CA C 58.737 0.300 1 1272 111 111 SER CB C 63.766 0.300 1 1273 111 111 SER N N 114.668 0.300 1 1274 112 112 SER H H 8.183 0.030 1 1275 112 112 SER HA H 4.534 0.030 1 1276 112 112 SER HB2 H 3.938 0.030 1 1277 112 112 SER HB3 H 3.938 0.030 1 1278 112 112 SER C C 174.752 0.300 1 1279 112 112 SER CA C 58.578 0.300 1 1280 112 112 SER CB C 63.913 0.300 1 1281 112 112 SER N N 117.068 0.300 1 1282 113 113 GLY H H 8.196 0.030 1 1283 113 113 GLY HA2 H 4.099 0.030 1 1284 113 113 GLY HA3 H 4.099 0.030 1 1285 113 113 GLY C C 171.675 0.300 1 1286 113 113 GLY CA C 44.747 0.300 1 1287 113 113 GLY N N 110.439 0.300 1 1288 114 114 PRO HA H 4.415 0.030 1 1289 114 114 PRO HB2 H 2.239 0.030 2 1290 114 114 PRO HB3 H 1.950 0.030 2 1291 114 114 PRO HG2 H 1.974 0.030 1 1292 114 114 PRO HG3 H 1.974 0.030 1 1293 114 114 PRO HD2 H 3.589 0.030 2 1294 114 114 PRO HD3 H 3.506 0.030 2 1295 114 114 PRO C C 177.369 0.300 1 1296 114 114 PRO CA C 63.236 0.300 1 1297 114 114 PRO CB C 32.175 0.300 1 1298 114 114 PRO CG C 27.136 0.300 1 1299 114 114 PRO CD C 49.705 0.300 1 1300 115 115 SER H H 8.514 0.030 1 1301 115 115 SER HA H 4.495 0.030 1 1302 115 115 SER HB2 H 3.878 0.030 1 1303 115 115 SER HB3 H 3.878 0.030 1 1304 115 115 SER C C 174.668 0.300 1 1305 115 115 SER CA C 58.313 0.300 1 1306 115 115 SER CB C 64.078 0.300 1 1307 115 115 SER N N 116.472 0.300 1 1308 116 116 SER H H 8.352 0.030 1 1309 116 116 SER HA H 4.485 0.030 1 1310 116 116 SER HB2 H 3.878 0.030 1 1311 116 116 SER HB3 H 3.878 0.030 1 1312 116 116 SER C C 173.977 0.300 1 1313 116 116 SER CA C 58.367 0.300 1 1314 116 116 SER CB C 64.078 0.300 1 1315 116 116 SER N N 117.961 0.300 1 1316 117 117 GLY H H 8.064 0.030 1 1317 117 117 GLY C C 179.016 0.300 1 1318 117 117 GLY CA C 46.193 0.300 1 1319 117 117 GLY N N 116.856 0.300 1 stop_ save_