data_10249 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal PH domain of human pleckstrin ; _BMRB_accession_number 10249 _BMRB_flat_file_name bmr10249.str _Entry_type new _Submission_date 2008-11-20 _Accession_date 2008-11-20 _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 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 740 "13C chemical shifts" 556 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the C-terminal PH domain of human pleckstrin' _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 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Pleckstrin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH 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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GSSGSSGVILKEEFRGVIIK QGCLLKQGHRRKNWKVRKFI LREDPAYLHYYDPAGAEDPL GAIHLRGCVVTSVESNSNGR KSEEENLFEIITADEVHYFL QAATPKERTEWIKAIQMASR TGKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 ILE 10 LEU 11 LYS 12 GLU 13 GLU 14 PHE 15 ARG 16 GLY 17 VAL 18 ILE 19 ILE 20 LYS 21 GLN 22 GLY 23 CYS 24 LEU 25 LEU 26 LYS 27 GLN 28 GLY 29 HIS 30 ARG 31 ARG 32 LYS 33 ASN 34 TRP 35 LYS 36 VAL 37 ARG 38 LYS 39 PHE 40 ILE 41 LEU 42 ARG 43 GLU 44 ASP 45 PRO 46 ALA 47 TYR 48 LEU 49 HIS 50 TYR 51 TYR 52 ASP 53 PRO 54 ALA 55 GLY 56 ALA 57 GLU 58 ASP 59 PRO 60 LEU 61 GLY 62 ALA 63 ILE 64 HIS 65 LEU 66 ARG 67 GLY 68 CYS 69 VAL 70 VAL 71 THR 72 SER 73 VAL 74 GLU 75 SER 76 ASN 77 SER 78 ASN 79 GLY 80 ARG 81 LYS 82 SER 83 GLU 84 GLU 85 GLU 86 ASN 87 LEU 88 PHE 89 GLU 90 ILE 91 ILE 92 THR 93 ALA 94 ASP 95 GLU 96 VAL 97 HIS 98 TYR 99 PHE 100 LEU 101 GLN 102 ALA 103 ALA 104 THR 105 PRO 106 LYS 107 GLU 108 ARG 109 THR 110 GLU 111 TRP 112 ILE 113 LYS 114 ALA 115 ILE 116 GLN 117 MET 118 ALA 119 SER 120 ARG 121 THR 122 GLY 123 LYS 124 SER 125 GLY 126 PRO 127 SER 128 SER 129 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1X05 "Solution Structure Of The C-Terminal Ph Domain Of Human Pleckstrin" 100.00 129 100.00 100.00 1.88e-89 PDB 1XX0 "Structure Of The C-Terminal Ph Domain Of Human Pleckstrin" 89.92 127 100.00 100.00 4.91e-80 PDB 1ZM0 "Crystal Structure Of The Carboxyl Terminal Ph Domain Of Pleckstrin To 2.1 Angstroms" 86.05 114 100.00 100.00 1.31e-76 PDB 2I5C "Crystal Structure Of The C-Terminal Ph Domain Of Pleckstrin In Complex With D-Myo-Ins(1,2,3,4,5)p5" 82.95 109 99.07 99.07 6.90e-73 PDB 2I5F "Crystal Structure Of The C-Terminal Ph Domain Of Pleckstrin In Complex With D-Myo-Ins(1,2,3,5,6)p5" 82.95 109 99.07 99.07 6.90e-73 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' . . . . plasmid P040517-04 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 1.13 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 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 0.913 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 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 'PH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.475 0.030 1 2 6 6 SER HB2 H 3.866 0.030 1 3 6 6 SER HB3 H 3.866 0.030 1 4 6 6 SER C C 174.978 0.300 1 5 6 6 SER CA C 58.657 0.300 1 6 6 6 SER CB C 63.682 0.300 1 7 7 7 GLY H H 8.385 0.030 1 8 7 7 GLY HA2 H 3.947 0.030 1 9 7 7 GLY HA3 H 3.947 0.030 1 10 7 7 GLY C C 173.900 0.300 1 11 7 7 GLY CA C 45.280 0.300 1 12 7 7 GLY N N 110.753 0.300 1 13 8 8 VAL H H 7.896 0.030 1 14 8 8 VAL HA H 4.046 0.030 1 15 8 8 VAL HB H 2.000 0.030 1 16 8 8 VAL HG1 H 0.879 0.030 1 17 8 8 VAL HG2 H 0.854 0.030 1 18 8 8 VAL C C 175.948 0.300 1 19 8 8 VAL CA C 62.399 0.300 1 20 8 8 VAL CB C 32.904 0.300 1 21 8 8 VAL CG1 C 20.538 0.300 2 22 8 8 VAL CG2 C 21.073 0.300 2 23 8 8 VAL N N 119.771 0.300 1 24 9 9 ILE H H 8.253 0.030 1 25 9 9 ILE HA H 4.103 0.030 1 26 9 9 ILE HB H 1.788 0.030 1 27 9 9 ILE HD1 H 0.807 0.030 1 28 9 9 ILE HG12 H 1.455 0.030 2 29 9 9 ILE HG13 H 1.144 0.030 2 30 9 9 ILE HG2 H 0.829 0.030 1 31 9 9 ILE C C 175.984 0.300 1 32 9 9 ILE CA C 60.657 0.300 1 33 9 9 ILE CB C 38.349 0.300 1 34 9 9 ILE CD1 C 12.586 0.300 1 35 9 9 ILE CG1 C 27.195 0.300 1 36 9 9 ILE CG2 C 17.458 0.300 1 37 9 9 ILE N N 125.791 0.300 1 38 10 10 LEU H H 8.374 0.030 1 39 10 10 LEU HA H 4.379 0.030 1 40 10 10 LEU HB2 H 1.542 0.030 1 41 10 10 LEU HB3 H 1.542 0.030 1 42 10 10 LEU HD1 H 0.872 0.030 1 43 10 10 LEU HD2 H 0.792 0.030 1 44 10 10 LEU HG H 1.594 0.030 1 45 10 10 LEU C C 177.171 0.300 1 46 10 10 LEU CA C 54.598 0.300 1 47 10 10 LEU CB C 42.873 0.300 1 48 10 10 LEU CD1 C 25.060 0.300 2 49 10 10 LEU CD2 C 23.747 0.300 2 50 10 10 LEU CG C 26.949 0.300 1 51 10 10 LEU N N 127.929 0.300 1 52 11 11 LYS H H 8.414 0.030 1 53 11 11 LYS HA H 4.214 0.030 1 54 11 11 LYS HB2 H 1.986 0.030 2 55 11 11 LYS HB3 H 1.750 0.030 2 56 11 11 LYS HD2 H 1.684 0.030 1 57 11 11 LYS HD3 H 1.684 0.030 1 58 11 11 LYS HE2 H 2.981 0.030 1 59 11 11 LYS HE3 H 2.981 0.030 1 60 11 11 LYS HG2 H 1.594 0.030 2 61 11 11 LYS HG3 H 1.464 0.030 2 62 11 11 LYS C C 177.244 0.300 1 63 11 11 LYS CA C 57.051 0.300 1 64 11 11 LYS CB C 33.332 0.300 1 65 11 11 LYS CD C 29.548 0.300 1 66 11 11 LYS CE C 42.133 0.300 1 67 11 11 LYS CG C 25.636 0.300 1 68 11 11 LYS N N 123.211 0.300 1 69 12 12 GLU H H 8.629 0.030 1 70 12 12 GLU HA H 3.745 0.030 1 71 12 12 GLU HB2 H 1.994 0.030 2 72 12 12 GLU HB3 H 1.905 0.030 2 73 12 12 GLU HG2 H 2.224 0.030 2 74 12 12 GLU HG3 H 2.276 0.030 2 75 12 12 GLU C C 177.366 0.300 1 76 12 12 GLU CA C 59.663 0.300 1 77 12 12 GLU CB C 29.672 0.300 1 78 12 12 GLU CG C 36.059 0.300 1 79 12 12 GLU N N 122.998 0.300 1 80 13 13 GLU H H 8.043 0.030 1 81 13 13 GLU HA H 3.333 0.030 1 82 13 13 GLU HB2 H 0.943 0.030 2 83 13 13 GLU HB3 H 0.684 0.030 2 84 13 13 GLU HG2 H 1.156 0.030 2 85 13 13 GLU HG3 H 0.453 0.030 2 86 13 13 GLU C C 175.451 0.300 1 87 13 13 GLU CA C 57.634 0.300 1 88 13 13 GLU CB C 28.567 0.300 1 89 13 13 GLU CG C 35.245 0.300 1 90 13 13 GLU N N 113.498 0.300 1 91 14 14 PHE H H 7.483 0.030 1 92 14 14 PHE HA H 4.650 0.030 1 93 14 14 PHE HB2 H 3.410 0.030 2 94 14 14 PHE HB3 H 2.568 0.030 2 95 14 14 PHE HD1 H 6.876 0.030 1 96 14 14 PHE HD2 H 6.876 0.030 1 97 14 14 PHE HE1 H 6.534 0.030 1 98 14 14 PHE HE2 H 6.534 0.030 1 99 14 14 PHE HZ H 6.769 0.030 1 100 14 14 PHE C C 175.657 0.300 1 101 14 14 PHE CA C 56.187 0.300 1 102 14 14 PHE CB C 39.665 0.300 1 103 14 14 PHE CD1 C 131.000 0.300 1 104 14 14 PHE CD2 C 131.000 0.300 1 105 14 14 PHE CE1 C 130.790 0.300 1 106 14 14 PHE CE2 C 130.790 0.300 1 107 14 14 PHE CZ C 129.418 0.300 1 108 14 14 PHE N N 115.879 0.300 1 109 15 15 ARG H H 7.757 0.030 1 110 15 15 ARG HA H 4.154 0.030 1 111 15 15 ARG HB2 H 1.974 0.030 2 112 15 15 ARG HB3 H 1.843 0.030 2 113 15 15 ARG HD2 H 3.182 0.030 1 114 15 15 ARG HD3 H 3.182 0.030 1 115 15 15 ARG HG2 H 1.811 0.030 2 116 15 15 ARG HG3 H 1.697 0.030 2 117 15 15 ARG C C 177.353 0.300 1 118 15 15 ARG CA C 58.092 0.300 1 119 15 15 ARG CB C 31.193 0.300 1 120 15 15 ARG CD C 43.860 0.300 1 121 15 15 ARG CG C 27.986 0.300 1 122 15 15 ARG N N 118.945 0.300 1 123 16 16 GLY H H 8.812 0.030 1 124 16 16 GLY HA2 H 4.194 0.030 2 125 16 16 GLY HA3 H 3.824 0.030 2 126 16 16 GLY C C 173.427 0.300 1 127 16 16 GLY CA C 45.157 0.300 1 128 16 16 GLY N N 109.133 0.300 1 129 17 17 VAL H H 8.308 0.030 1 130 17 17 VAL HA H 4.060 0.030 1 131 17 17 VAL HB H 2.037 0.030 1 132 17 17 VAL HG1 H 1.082 0.030 1 133 17 17 VAL HG2 H 0.954 0.030 1 134 17 17 VAL C C 176.469 0.300 1 135 17 17 VAL CA C 62.098 0.300 1 136 17 17 VAL CB C 33.414 0.300 1 137 17 17 VAL CG1 C 21.608 0.300 2 138 17 17 VAL CG2 C 21.223 0.300 2 139 17 17 VAL N N 120.815 0.300 1 140 18 18 ILE H H 8.547 0.030 1 141 18 18 ILE HA H 4.186 0.030 1 142 18 18 ILE HB H 1.714 0.030 1 143 18 18 ILE HD1 H 0.921 0.030 1 144 18 18 ILE HG12 H 0.764 0.030 2 145 18 18 ILE HG13 H 1.884 0.030 2 146 18 18 ILE HG2 H 0.854 0.030 1 147 18 18 ILE C C 177.208 0.300 1 148 18 18 ILE CA C 63.175 0.300 1 149 18 18 ILE CB C 38.596 0.300 1 150 18 18 ILE CD1 C 13.853 0.300 1 151 18 18 ILE CG1 C 28.625 0.300 1 152 18 18 ILE CG2 C 17.059 0.300 1 153 18 18 ILE N N 125.006 0.300 1 154 19 19 ILE H H 9.127 0.030 1 155 19 19 ILE HA H 4.461 0.030 1 156 19 19 ILE HB H 1.796 0.030 1 157 19 19 ILE HD1 H 0.764 0.030 1 158 19 19 ILE HG12 H 1.153 0.030 1 159 19 19 ILE HG13 H 1.153 0.030 1 160 19 19 ILE HG2 H 0.893 0.030 1 161 19 19 ILE C C 176.081 0.300 1 162 19 19 ILE CA C 60.298 0.300 1 163 19 19 ILE CB C 39.665 0.300 1 164 19 19 ILE CD1 C 12.687 0.300 1 165 19 19 ILE CG1 C 26.505 0.300 1 166 19 19 ILE CG2 C 17.863 0.300 1 167 19 19 ILE N N 124.358 0.300 1 168 20 20 LYS H H 7.620 0.030 1 169 20 20 LYS HA H 4.325 0.030 1 170 20 20 LYS HB2 H 1.354 0.030 2 171 20 20 LYS HB3 H 1.091 0.030 2 172 20 20 LYS HD2 H -0.384 0.030 2 173 20 20 LYS HD3 H 0.735 0.030 2 174 20 20 LYS HE2 H 1.113 0.030 2 175 20 20 LYS HE3 H 1.544 0.030 2 176 20 20 LYS HG2 H 0.190 0.030 2 177 20 20 LYS HG3 H 1.029 0.030 2 178 20 20 LYS C C 172.760 0.300 1 179 20 20 LYS CA C 57.298 0.300 1 180 20 20 LYS CB C 36.458 0.300 1 181 20 20 LYS CD C 28.890 0.300 1 182 20 20 LYS CE C 40.076 0.300 1 183 20 20 LYS CG C 25.354 0.300 1 184 20 20 LYS N N 121.749 0.300 1 185 21 21 GLN H H 8.572 0.030 1 186 21 21 GLN HA H 5.927 0.030 1 187 21 21 GLN HB2 H 2.314 0.030 1 188 21 21 GLN HB3 H 2.314 0.030 1 189 21 21 GLN HE21 H 6.786 0.030 2 190 21 21 GLN HE22 H 7.502 0.030 2 191 21 21 GLN HG2 H 2.199 0.030 1 192 21 21 GLN HG3 H 2.199 0.030 1 193 21 21 GLN C C 175.124 0.300 1 194 21 21 GLN CA C 54.227 0.300 1 195 21 21 GLN CB C 33.369 0.300 1 196 21 21 GLN CG C 33.659 0.300 1 197 21 21 GLN N N 121.653 0.300 1 198 21 21 GLN NE2 N 111.216 0.300 1 199 22 22 GLY H H 9.178 0.030 1 200 22 22 GLY HA2 H 4.904 0.030 2 201 22 22 GLY HA3 H 4.447 0.030 2 202 22 22 GLY C C 172.300 0.300 1 203 22 22 GLY CA C 45.650 0.300 1 204 22 22 GLY N N 108.544 0.300 1 205 23 23 CYS H H 9.262 0.030 1 206 23 23 CYS HA H 5.904 0.030 1 207 23 23 CYS HB2 H 3.074 0.030 2 208 23 23 CYS HB3 H 2.736 0.030 2 209 23 23 CYS C C 175.293 0.300 1 210 23 23 CYS CA C 59.222 0.300 1 211 23 23 CYS CB C 29.260 0.300 1 212 23 23 CYS N N 118.575 0.300 1 213 24 24 LEU H H 9.131 0.030 1 214 24 24 LEU HA H 4.627 0.030 1 215 24 24 LEU HB2 H 1.235 0.030 2 216 24 24 LEU HB3 H 0.894 0.030 2 217 24 24 LEU HD1 H -1.058 0.030 1 218 24 24 LEU HD2 H 0.614 0.030 1 219 24 24 LEU HG H 0.854 0.030 1 220 24 24 LEU C C 175.354 0.300 1 221 24 24 LEU CA C 53.963 0.300 1 222 24 24 LEU CB C 47.315 0.300 1 223 24 24 LEU CD1 C 24.013 0.300 2 224 24 24 LEU CD2 C 23.873 0.300 2 225 24 24 LEU CG C 26.517 0.300 1 226 24 24 LEU N N 122.880 0.300 1 227 25 25 LEU H H 7.968 0.030 1 228 25 25 LEU HA H 5.056 0.030 1 229 25 25 LEU HB2 H 1.753 0.030 2 230 25 25 LEU HB3 H 1.555 0.030 2 231 25 25 LEU HD1 H 0.722 0.030 1 232 25 25 LEU HD2 H 0.625 0.030 1 233 25 25 LEU HG H 1.614 0.030 1 234 25 25 LEU C C 175.766 0.300 1 235 25 25 LEU CA C 54.810 0.300 1 236 25 25 LEU CB C 44.065 0.300 1 237 25 25 LEU CD1 C 25.107 0.300 2 238 25 25 LEU CD2 C 25.107 0.300 2 239 25 25 LEU CG C 27.810 0.300 1 240 25 25 LEU N N 119.755 0.300 1 241 26 26 LYS H H 9.307 0.030 1 242 26 26 LYS HA H 5.166 0.030 1 243 26 26 LYS HB2 H 1.568 0.030 2 244 26 26 LYS HB3 H 1.687 0.030 2 245 26 26 LYS HD2 H 0.944 0.030 2 246 26 26 LYS HD3 H 1.244 0.030 2 247 26 26 LYS HE2 H 2.624 0.030 2 248 26 26 LYS HE3 H 2.535 0.030 2 249 26 26 LYS HG2 H 1.486 0.030 2 250 26 26 LYS HG3 H 1.243 0.030 2 251 26 26 LYS C C 175.778 0.300 1 252 26 26 LYS CA C 54.687 0.300 1 253 26 26 LYS CB C 37.033 0.300 1 254 26 26 LYS CD C 29.609 0.300 1 255 26 26 LYS CE C 41.686 0.300 1 256 26 26 LYS CG C 24.860 0.300 1 257 26 26 LYS N N 122.635 0.300 1 258 27 27 GLN H H 8.228 0.030 1 259 27 27 GLN HA H 3.839 0.030 1 260 27 27 GLN HB2 H 1.557 0.030 2 261 27 27 GLN HB3 H 0.244 0.030 2 262 27 27 GLN HE21 H 6.376 0.030 2 263 27 27 GLN HE22 H 6.478 0.030 2 264 27 27 GLN HG2 H 1.705 0.030 2 265 27 27 GLN HG3 H 0.614 0.030 2 266 27 27 GLN C C 176.869 0.300 1 267 27 27 GLN CA C 55.922 0.300 1 268 27 27 GLN CB C 29.589 0.300 1 269 27 27 GLN CG C 34.170 0.300 1 270 27 27 GLN N N 132.145 0.300 1 271 27 27 GLN NE2 N 110.707 0.300 1 272 28 28 GLY H H 8.434 0.030 1 273 28 28 GLY HA2 H 4.144 0.030 2 274 28 28 GLY HA3 H 3.999 0.030 2 275 28 28 GLY CA C 45.457 0.300 1 276 28 28 GLY N N 114.691 0.300 1 277 29 29 HIS HA H 4.352 0.030 1 278 29 29 HIS HB2 H 3.141 0.030 2 279 29 29 HIS HB3 H 3.070 0.030 2 280 29 29 HIS HD2 H 6.988 0.030 1 281 29 29 HIS HE1 H 7.624 0.030 1 282 29 29 HIS CA C 58.505 0.300 1 283 29 29 HIS CB C 30.967 0.300 1 284 29 29 HIS CD2 C 119.441 0.300 1 285 29 29 HIS CE1 C 138.821 0.300 1 286 30 30 ARG HA H 4.114 0.030 1 287 30 30 ARG HB2 H 1.805 0.030 1 288 30 30 ARG HB3 H 1.805 0.030 1 289 30 30 ARG HD2 H 3.096 0.030 1 290 30 30 ARG HD3 H 3.096 0.030 1 291 30 30 ARG HG2 H 1.336 0.030 1 292 30 30 ARG HG3 H 1.336 0.030 1 293 30 30 ARG CA C 56.429 0.300 1 294 30 30 ARG CB C 29.591 0.300 1 295 30 30 ARG CD C 43.247 0.300 1 296 30 30 ARG CG C 27.142 0.300 1 297 31 31 ARG HA H 3.774 0.030 1 298 31 31 ARG HB2 H 1.709 0.030 1 299 31 31 ARG HB3 H 1.709 0.030 1 300 31 31 ARG HD2 H 3.033 0.030 1 301 31 31 ARG HD3 H 3.033 0.030 1 302 31 31 ARG HG2 H 1.483 0.030 2 303 31 31 ARG HG3 H 1.365 0.030 2 304 31 31 ARG C C 175.536 0.300 1 305 31 31 ARG CA C 55.922 0.300 1 306 31 31 ARG CB C 29.302 0.300 1 307 31 31 ARG CD C 43.202 0.300 1 308 31 31 ARG CG C 27.141 0.300 1 309 32 32 LYS H H 8.011 0.030 1 310 32 32 LYS HA H 4.164 0.030 1 311 32 32 LYS HB2 H 1.723 0.030 2 312 32 32 LYS HB3 H 1.794 0.030 2 313 32 32 LYS HD2 H 1.529 0.030 1 314 32 32 LYS HD3 H 1.529 0.030 1 315 32 32 LYS HE2 H 2.898 0.030 1 316 32 32 LYS HE3 H 2.898 0.030 1 317 32 32 LYS HG2 H 1.204 0.030 2 318 32 32 LYS HG3 H 1.294 0.030 2 319 32 32 LYS C C 175.741 0.300 1 320 32 32 LYS CA C 56.239 0.300 1 321 32 32 LYS CB C 32.016 0.300 1 322 32 32 LYS CD C 28.644 0.300 1 323 32 32 LYS CE C 42.133 0.300 1 324 32 32 LYS CG C 24.696 0.300 1 325 32 32 LYS N N 117.463 0.300 1 326 33 33 ASN H H 7.870 0.030 1 327 33 33 ASN HA H 4.807 0.030 1 328 33 33 ASN HB2 H 2.784 0.030 1 329 33 33 ASN HB3 H 2.784 0.030 1 330 33 33 ASN HD21 H 7.610 0.030 2 331 33 33 ASN HD22 H 6.921 0.030 2 332 33 33 ASN C C 173.681 0.300 1 333 33 33 ASN CA C 52.551 0.300 1 334 33 33 ASN CB C 39.830 0.300 1 335 33 33 ASN N N 117.522 0.300 1 336 33 33 ASN ND2 N 112.888 0.300 1 337 34 34 TRP H H 8.704 0.030 1 338 34 34 TRP HA H 4.807 0.030 1 339 34 34 TRP HB2 H 2.965 0.030 2 340 34 34 TRP HB3 H 3.013 0.030 2 341 34 34 TRP HD1 H 7.259 0.030 1 342 34 34 TRP HE1 H 10.322 0.030 1 343 34 34 TRP HE3 H 7.043 0.030 1 344 34 34 TRP HH2 H 6.741 0.030 1 345 34 34 TRP HZ2 H 7.252 0.030 1 346 34 34 TRP HZ3 H 6.787 0.030 1 347 34 34 TRP C C 176.129 0.300 1 348 34 34 TRP CA C 56.540 0.300 1 349 34 34 TRP CB C 31.399 0.300 1 350 34 34 TRP CD1 C 128.073 0.300 1 351 34 34 TRP CE3 C 119.822 0.300 1 352 34 34 TRP CH2 C 124.100 0.300 1 353 34 34 TRP CZ2 C 114.974 0.300 1 354 34 34 TRP CZ3 C 122.502 0.300 1 355 34 34 TRP N N 121.620 0.300 1 356 34 34 TRP NE1 N 130.991 0.300 1 357 35 35 LYS H H 8.457 0.030 1 358 35 35 LYS HA H 4.876 0.030 1 359 35 35 LYS HB2 H 1.695 0.030 1 360 35 35 LYS HB3 H 1.695 0.030 1 361 35 35 LYS HD2 H 1.683 0.030 1 362 35 35 LYS HD3 H 1.683 0.030 1 363 35 35 LYS HE2 H 2.981 0.030 1 364 35 35 LYS HE3 H 2.981 0.030 1 365 35 35 LYS HG2 H 1.394 0.030 1 366 35 35 LYS HG3 H 1.394 0.030 1 367 35 35 LYS C C 176.081 0.300 1 368 35 35 LYS CA C 54.298 0.300 1 369 35 35 LYS CB C 36.498 0.300 1 370 35 35 LYS CD C 29.359 0.300 1 371 35 35 LYS CE C 42.197 0.300 1 372 35 35 LYS CG C 25.071 0.300 1 373 35 35 LYS N N 120.816 0.300 1 374 36 36 VAL H H 8.974 0.030 1 375 36 36 VAL HA H 4.254 0.030 1 376 36 36 VAL HB H 2.073 0.030 1 377 36 36 VAL HG1 H 0.974 0.030 1 378 36 36 VAL HG2 H 1.064 0.030 1 379 36 36 VAL C C 176.808 0.300 1 380 36 36 VAL CA C 63.828 0.300 1 381 36 36 VAL CB C 31.687 0.300 1 382 36 36 VAL CG1 C 21.339 0.300 2 383 36 36 VAL CG2 C 22.143 0.300 2 384 36 36 VAL N N 123.825 0.300 1 385 37 37 ARG H H 9.327 0.030 1 386 37 37 ARG HA H 4.930 0.030 1 387 37 37 ARG HB2 H 1.665 0.030 1 388 37 37 ARG HB3 H 1.665 0.030 1 389 37 37 ARG HD2 H 3.284 0.030 2 390 37 37 ARG HD3 H 2.937 0.030 2 391 37 37 ARG C C 173.815 0.300 1 392 37 37 ARG CA C 54.351 0.300 1 393 37 37 ARG CB C 34.709 0.300 1 394 37 37 ARG CD C 43.299 0.300 1 395 37 37 ARG CG C 29.308 0.300 1 396 37 37 ARG N N 128.926 0.300 1 397 38 38 LYS H H 8.714 0.030 1 398 38 38 LYS HA H 4.959 0.030 1 399 38 38 LYS HB2 H 1.737 0.030 2 400 38 38 LYS HB3 H 1.671 0.030 2 401 38 38 LYS HD2 H 1.654 0.030 2 402 38 38 LYS HD3 H 1.524 0.030 2 403 38 38 LYS HE2 H 2.724 0.030 2 404 38 38 LYS HE3 H 2.663 0.030 2 405 38 38 LYS HG2 H 1.434 0.030 2 406 38 38 LYS HG3 H 1.224 0.030 2 407 38 38 LYS C C 175.075 0.300 1 408 38 38 LYS CA C 55.869 0.300 1 409 38 38 LYS CB C 34.072 0.300 1 410 38 38 LYS CD C 29.302 0.300 1 411 38 38 LYS CE C 41.968 0.300 1 412 38 38 LYS CG C 25.479 0.300 1 413 38 38 LYS N N 121.669 0.300 1 414 39 39 PHE H H 9.751 0.030 1 415 39 39 PHE HA H 5.591 0.030 1 416 39 39 PHE HB2 H 3.067 0.030 2 417 39 39 PHE HB3 H 2.760 0.030 2 418 39 39 PHE HD1 H 7.092 0.030 1 419 39 39 PHE HD2 H 7.092 0.030 1 420 39 39 PHE HE1 H 6.786 0.030 1 421 39 39 PHE HE2 H 6.786 0.030 1 422 39 39 PHE HZ H 6.428 0.030 1 423 39 39 PHE C C 175.414 0.300 1 424 39 39 PHE CA C 57.474 0.300 1 425 39 39 PHE CB C 42.667 0.300 1 426 39 39 PHE CD1 C 131.953 0.300 1 427 39 39 PHE CD2 C 131.953 0.300 1 428 39 39 PHE CE1 C 130.855 0.300 1 429 39 39 PHE CE2 C 130.855 0.300 1 430 39 39 PHE CZ C 128.304 0.300 1 431 39 39 PHE N N 127.216 0.300 1 432 40 40 ILE H H 9.246 0.030 1 433 40 40 ILE HA H 4.864 0.030 1 434 40 40 ILE HB H 2.225 0.030 1 435 40 40 ILE HD1 H 0.742 0.030 1 436 40 40 ILE HG12 H 1.274 0.030 2 437 40 40 ILE HG13 H 1.674 0.030 2 438 40 40 ILE HG2 H 1.074 0.030 1 439 40 40 ILE C C 174.724 0.300 1 440 40 40 ILE CA C 62.134 0.300 1 441 40 40 ILE CB C 41.022 0.300 1 442 40 40 ILE CD1 C 13.098 0.300 1 443 40 40 ILE CG1 C 27.469 0.300 1 444 40 40 ILE CG2 C 19.220 0.300 1 445 40 40 ILE N N 119.337 0.300 1 446 41 41 LEU H H 9.549 0.030 1 447 41 41 LEU HA H 5.485 0.030 1 448 41 41 LEU HB2 H 2.247 0.030 2 449 41 41 LEU HB3 H 1.614 0.030 2 450 41 41 LEU HD1 H 1.005 0.030 1 451 41 41 LEU HD2 H 0.781 0.030 1 452 41 41 LEU HG H 1.404 0.030 1 453 41 41 LEU C C 174.457 0.300 1 454 41 41 LEU CA C 54.004 0.300 1 455 41 41 LEU CB C 45.299 0.300 1 456 41 41 LEU CD1 C 25.619 0.300 2 457 41 41 LEU CD2 C 27.657 0.300 2 458 41 41 LEU CG C 27.779 0.300 1 459 41 41 LEU N N 132.451 0.300 1 460 42 42 ARG H H 9.383 0.030 1 461 42 42 ARG HA H 5.492 0.030 1 462 42 42 ARG HB2 H 1.804 0.030 2 463 42 42 ARG HB3 H 1.723 0.030 2 464 42 42 ARG HD2 H 3.404 0.030 2 465 42 42 ARG HD3 H 3.244 0.030 2 466 42 42 ARG HE H 7.254 0.030 1 467 42 42 ARG HG2 H 1.384 0.030 2 468 42 42 ARG HG3 H 1.784 0.030 2 469 42 42 ARG C C 174.893 0.300 1 470 42 42 ARG CA C 54.421 0.300 1 471 42 42 ARG CB C 35.470 0.300 1 472 42 42 ARG CD C 44.271 0.300 1 473 42 42 ARG CG C 30.134 0.300 1 474 42 42 ARG N N 128.467 0.300 1 475 42 42 ARG NE N 85.995 0.300 1 476 43 43 GLU H H 8.259 0.030 1 477 43 43 GLU HA H 4.366 0.030 1 478 43 43 GLU HB2 H 1.911 0.030 2 479 43 43 GLU HB3 H 2.034 0.030 2 480 43 43 GLU HG2 H 2.135 0.030 2 481 43 43 GLU HG3 H 2.234 0.030 2 482 43 43 GLU C C 174.893 0.300 1 483 43 43 GLU CA C 54.898 0.300 1 484 43 43 GLU CB C 33.102 0.300 1 485 43 43 GLU CG C 35.779 0.300 1 486 43 43 GLU N N 115.434 0.300 1 487 44 44 ASP H H 7.870 0.030 1 488 44 44 ASP HA H 4.433 0.030 1 489 44 44 ASP HB2 H 2.464 0.030 2 490 44 44 ASP HB3 H 3.072 0.030 2 491 44 44 ASP C C 172.991 0.300 1 492 44 44 ASP CA C 53.892 0.300 1 493 44 44 ASP CB C 41.146 0.300 1 494 44 44 ASP N N 114.444 0.300 1 495 45 45 PRO HA H 4.710 0.030 1 496 45 45 PRO HB2 H 2.491 0.030 2 497 45 45 PRO HB3 H 2.129 0.030 2 498 45 45 PRO HD2 H 3.504 0.030 2 499 45 45 PRO HD3 H 3.617 0.030 2 500 45 45 PRO HG2 H 1.994 0.030 2 501 45 45 PRO HG3 H 2.113 0.030 2 502 45 45 PRO C C 176.747 0.300 1 503 45 45 PRO CA C 63.246 0.300 1 504 45 45 PRO CB C 34.977 0.300 1 505 45 45 PRO CD C 50.687 0.300 1 506 45 45 PRO CG C 25.354 0.300 1 507 46 46 ALA H H 8.356 0.030 1 508 46 46 ALA HA H 5.049 0.030 1 509 46 46 ALA HB H 1.256 0.030 1 510 46 46 ALA C C 175.499 0.300 1 511 46 46 ALA CA C 51.545 0.300 1 512 46 46 ALA CB C 19.655 0.300 1 513 46 46 ALA N N 122.969 0.300 1 514 47 47 TYR H H 8.047 0.030 1 515 47 47 TYR HA H 5.097 0.030 1 516 47 47 TYR HB2 H 2.778 0.030 2 517 47 47 TYR HB3 H 2.623 0.030 2 518 47 47 TYR HD1 H 6.554 0.030 1 519 47 47 TYR HD2 H 6.554 0.030 1 520 47 47 TYR HE1 H 6.454 0.030 1 521 47 47 TYR HE2 H 6.454 0.030 1 522 47 47 TYR C C 173.730 0.300 1 523 47 47 TYR CA C 57.563 0.300 1 524 47 47 TYR CB C 45.711 0.300 1 525 47 47 TYR CD1 C 132.469 0.300 1 526 47 47 TYR CD2 C 132.469 0.300 1 527 47 47 TYR CE1 C 117.412 0.300 1 528 47 47 TYR CE2 C 117.412 0.300 1 529 47 47 TYR N N 126.550 0.300 1 530 48 48 LEU H H 8.776 0.030 1 531 48 48 LEU HA H 5.578 0.030 1 532 48 48 LEU HB2 H 1.984 0.030 2 533 48 48 LEU HB3 H 1.464 0.030 2 534 48 48 LEU HD1 H 0.826 0.030 1 535 48 48 LEU HD2 H 1.195 0.030 1 536 48 48 LEU HG H 1.724 0.030 1 537 48 48 LEU C C 175.039 0.300 1 538 48 48 LEU CA C 53.134 0.300 1 539 48 48 LEU CB C 46.369 0.300 1 540 48 48 LEU CD1 C 26.154 0.300 2 541 48 48 LEU CD2 C 25.619 0.300 2 542 48 48 LEU CG C 27.264 0.300 1 543 48 48 LEU N N 120.864 0.300 1 544 49 49 HIS H H 8.974 0.030 1 545 49 49 HIS HA H 5.181 0.030 1 546 49 49 HIS HB2 H 3.121 0.030 2 547 49 49 HIS HB3 H 2.857 0.030 2 548 49 49 HIS HD2 H 6.711 0.030 1 549 49 49 HIS HE1 H 6.808 0.030 1 550 49 49 HIS C C 174.712 0.300 1 551 49 49 HIS CA C 57.916 0.300 1 552 49 49 HIS CB C 35.347 0.300 1 553 49 49 HIS CD2 C 116.865 0.300 1 554 49 49 HIS CE1 C 137.599 0.300 1 555 49 49 HIS N N 124.417 0.300 1 556 50 50 TYR H H 7.348 0.030 1 557 50 50 TYR HA H 5.909 0.030 1 558 50 50 TYR HB2 H 1.664 0.030 1 559 50 50 TYR HB3 H 1.664 0.030 1 560 50 50 TYR HD1 H 6.394 0.030 1 561 50 50 TYR HD2 H 6.394 0.030 1 562 50 50 TYR HE1 H 6.565 0.030 1 563 50 50 TYR HE2 H 6.565 0.030 1 564 50 50 TYR C C 174.239 0.300 1 565 50 50 TYR CA C 53.610 0.300 1 566 50 50 TYR CB C 40.077 0.300 1 567 50 50 TYR CD1 C 133.438 0.300 1 568 50 50 TYR CD2 C 133.438 0.300 1 569 50 50 TYR CE1 C 117.622 0.300 1 570 50 50 TYR CE2 C 117.622 0.300 1 571 50 50 TYR N N 114.323 0.300 1 572 51 51 TYR H H 9.230 0.030 1 573 51 51 TYR HA H 4.555 0.030 1 574 51 51 TYR HB2 H 3.134 0.030 2 575 51 51 TYR HB3 H 2.540 0.030 2 576 51 51 TYR HD1 H 6.980 0.030 1 577 51 51 TYR HD2 H 6.980 0.030 1 578 51 51 TYR HE1 H 6.589 0.030 1 579 51 51 TYR HE2 H 6.589 0.030 1 580 51 51 TYR C C 175.572 0.300 1 581 51 51 TYR CA C 57.175 0.300 1 582 51 51 TYR CB C 42.709 0.300 1 583 51 51 TYR CD1 C 133.276 0.300 1 584 51 51 TYR CD2 C 133.276 0.300 1 585 51 51 TYR CE1 C 118.494 0.300 1 586 51 51 TYR CE2 C 118.494 0.300 1 587 51 51 TYR N N 117.695 0.300 1 588 52 52 ASP H H 9.390 0.030 1 589 52 52 ASP HA H 4.937 0.030 1 590 52 52 ASP HB2 H 2.965 0.030 2 591 52 52 ASP HB3 H 2.681 0.030 2 592 52 52 ASP CA C 52.057 0.300 1 593 52 52 ASP CB C 42.197 0.300 1 594 52 52 ASP N N 123.964 0.300 1 595 53 53 PRO HA H 4.274 0.030 1 596 53 53 PRO HB2 H 2.285 0.030 2 597 53 53 PRO HB3 H 2.093 0.030 2 598 53 53 PRO HD2 H 4.125 0.030 2 599 53 53 PRO HD3 H 4.283 0.030 2 600 53 53 PRO HG2 H 1.911 0.030 2 601 53 53 PRO HG3 H 2.107 0.030 2 602 53 53 PRO C C 176.360 0.300 1 603 53 53 PRO CA C 64.728 0.300 1 604 53 53 PRO CB C 32.016 0.300 1 605 53 53 PRO CD C 51.656 0.300 1 606 53 53 PRO CG C 27.759 0.300 1 607 54 54 ALA H H 8.384 0.030 1 608 54 54 ALA HA H 4.492 0.030 1 609 54 54 ALA HB H 1.424 0.030 1 610 54 54 ALA C C 177.620 0.300 1 611 54 54 ALA CA C 52.022 0.300 1 612 54 54 ALA CB C 19.202 0.300 1 613 54 54 ALA N N 120.140 0.300 1 614 55 55 GLY H H 7.710 0.030 1 615 55 55 GLY HA2 H 4.194 0.030 2 616 55 55 GLY HA3 H 3.833 0.030 2 617 55 55 GLY C C 173.524 0.300 1 618 55 55 GLY CA C 45.421 0.300 1 619 55 55 GLY N N 107.828 0.300 1 620 56 56 ALA H H 8.339 0.030 1 621 56 56 ALA HA H 4.378 0.030 1 622 56 56 ALA HB H 1.519 0.030 1 623 56 56 ALA C C 177.741 0.300 1 624 56 56 ALA CA C 52.410 0.300 1 625 56 56 ALA CB C 19.843 0.300 1 626 56 56 ALA N N 125.269 0.300 1 627 57 57 GLU H H 8.567 0.030 1 628 57 57 GLU HA H 4.160 0.030 1 629 57 57 GLU HB2 H 2.042 0.030 2 630 57 57 GLU HB3 H 1.922 0.030 2 631 57 57 GLU HG2 H 2.196 0.030 1 632 57 57 GLU HG3 H 2.196 0.030 1 633 57 57 GLU C C 176.335 0.300 1 634 57 57 GLU CA C 57.616 0.300 1 635 57 57 GLU CB C 30.083 0.300 1 636 57 57 GLU CG C 36.457 0.300 1 637 57 57 GLU N N 119.341 0.300 1 638 58 58 ASP H H 7.718 0.030 1 639 58 58 ASP HA H 5.010 0.030 1 640 58 58 ASP HB2 H 2.633 0.030 2 641 58 58 ASP HB3 H 2.414 0.030 2 642 58 58 ASP C C 173.209 0.300 1 643 58 58 ASP CA C 52.128 0.300 1 644 58 58 ASP CB C 40.981 0.300 1 645 58 58 ASP N N 118.499 0.300 1 646 59 59 PRO HA H 3.493 0.030 1 647 59 59 PRO HB2 H 1.654 0.030 2 648 59 59 PRO HB3 H 1.405 0.030 2 649 59 59 PRO HD2 H 3.752 0.030 2 650 59 59 PRO HD3 H 3.877 0.030 2 651 59 59 PRO HG2 H 2.062 0.030 2 652 59 59 PRO HG3 H 1.895 0.030 2 653 59 59 PRO C C 177.111 0.300 1 654 59 59 PRO CA C 63.069 0.300 1 655 59 59 PRO CB C 31.229 0.300 1 656 59 59 PRO CD C 50.289 0.300 1 657 59 59 PRO CG C 26.916 0.300 1 658 60 60 LEU H H 8.770 0.030 1 659 60 60 LEU HA H 4.114 0.030 1 660 60 60 LEU HB2 H 1.455 0.030 2 661 60 60 LEU HB3 H 1.325 0.030 2 662 60 60 LEU HD1 H 0.934 0.030 1 663 60 60 LEU HD2 H 0.935 0.030 1 664 60 60 LEU HG H 1.754 0.030 1 665 60 60 LEU C C 177.268 0.300 1 666 60 60 LEU CA C 55.181 0.300 1 667 60 60 LEU CB C 42.750 0.300 1 668 60 60 LEU CD1 C 26.489 0.300 2 669 60 60 LEU CD2 C 22.467 0.300 2 670 60 60 LEU CG C 27.251 0.300 1 671 60 60 LEU N N 121.907 0.300 1 672 61 61 GLY H H 6.472 0.030 1 673 61 61 GLY HA2 H 3.798 0.030 2 674 61 61 GLY HA3 H 3.382 0.030 2 675 61 61 GLY C C 169.367 0.300 1 676 61 61 GLY CA C 45.033 0.300 1 677 61 61 GLY N N 103.740 0.300 1 678 62 62 ALA H H 8.024 0.030 1 679 62 62 ALA HA H 4.644 0.030 1 680 62 62 ALA HB H 1.073 0.030 1 681 62 62 ALA C C 176.226 0.300 1 682 62 62 ALA CA C 50.839 0.300 1 683 62 62 ALA CB C 23.914 0.300 1 684 62 62 ALA N N 120.249 0.300 1 685 63 63 ILE H H 8.810 0.030 1 686 63 63 ILE HA H 4.119 0.030 1 687 63 63 ILE HB H 1.765 0.030 1 688 63 63 ILE HD1 H 0.063 0.030 1 689 63 63 ILE HG12 H 1.354 0.030 2 690 63 63 ILE HG13 H 0.293 0.030 2 691 63 63 ILE HG2 H 0.464 0.030 1 692 63 63 ILE C C 174.724 0.300 1 693 63 63 ILE CA C 60.757 0.300 1 694 63 63 ILE CB C 40.319 0.300 1 695 63 63 ILE CD1 C 12.741 0.300 1 696 63 63 ILE CG1 C 26.512 0.300 1 697 63 63 ILE CG2 C 18.129 0.300 1 698 63 63 ILE N N 122.110 0.300 1 699 64 64 HIS H H 9.073 0.030 1 700 64 64 HIS HA H 3.948 0.030 1 701 64 64 HIS HB2 H 3.147 0.030 2 702 64 64 HIS HB3 H 2.817 0.030 2 703 64 64 HIS HD2 H 6.664 0.030 1 704 64 64 HIS HE1 H 7.741 0.030 1 705 64 64 HIS C C 176.529 0.300 1 706 64 64 HIS CA C 54.951 0.300 1 707 64 64 HIS CB C 30.494 0.300 1 708 64 64 HIS CD2 C 120.460 0.300 1 709 64 64 HIS CE1 C 138.365 0.300 1 710 64 64 HIS N N 129.092 0.300 1 711 65 65 LEU H H 7.770 0.030 1 712 65 65 LEU HA H 4.074 0.030 1 713 65 65 LEU HB2 H 1.533 0.030 2 714 65 65 LEU HB3 H 1.344 0.030 2 715 65 65 LEU HD1 H 0.795 0.030 1 716 65 65 LEU HD2 H 0.675 0.030 1 717 65 65 LEU HG H 1.574 0.030 1 718 65 65 LEU C C 176.808 0.300 1 719 65 65 LEU CA C 54.951 0.300 1 720 65 65 LEU CB C 42.667 0.300 1 721 65 65 LEU CD1 C 27.903 0.300 2 722 65 65 LEU CD2 C 22.146 0.300 2 723 65 65 LEU CG C 26.129 0.300 1 724 65 65 LEU N N 124.760 0.300 1 725 66 66 ARG H H 6.515 0.030 1 726 66 66 ARG HA H 4.085 0.030 1 727 66 66 ARG HB2 H 1.605 0.030 2 728 66 66 ARG HB3 H 1.314 0.030 2 729 66 66 ARG HD2 H 3.234 0.030 1 730 66 66 ARG HD3 H 3.234 0.030 1 731 66 66 ARG HG2 H 1.665 0.030 2 732 66 66 ARG HG3 H 1.464 0.030 2 733 66 66 ARG C C 178.638 0.300 1 734 66 66 ARG CA C 58.092 0.300 1 735 66 66 ARG CB C 29.525 0.300 1 736 66 66 ARG CD C 43.531 0.300 1 737 66 66 ARG CG C 26.752 0.300 1 738 66 66 ARG N N 120.462 0.300 1 739 67 67 GLY H H 9.300 0.030 1 740 67 67 GLY HA2 H 4.045 0.030 2 741 67 67 GLY HA3 H 3.826 0.030 2 742 67 67 GLY C C 173.996 0.300 1 743 67 67 GLY CA C 46.162 0.300 1 744 67 67 GLY N N 118.040 0.300 1 745 68 68 CYS H H 7.789 0.030 1 746 68 68 CYS HA H 4.779 0.030 1 747 68 68 CYS HB2 H 2.829 0.030 1 748 68 68 CYS HB3 H 2.829 0.030 1 749 68 68 CYS C C 173.148 0.300 1 750 68 68 CYS CA C 57.545 0.300 1 751 68 68 CYS CB C 28.644 0.300 1 752 68 68 CYS N N 116.032 0.300 1 753 69 69 VAL H H 8.665 0.030 1 754 69 69 VAL HA H 4.364 0.030 1 755 69 69 VAL HB H 1.844 0.030 1 756 69 69 VAL HG1 H 0.916 0.030 1 757 69 69 VAL HG2 H 0.874 0.030 1 758 69 69 VAL C C 174.154 0.300 1 759 69 69 VAL CA C 61.464 0.300 1 760 69 69 VAL CB C 35.041 0.300 1 761 69 69 VAL CG1 C 21.339 0.300 2 762 69 69 VAL CG2 C 21.073 0.300 2 763 69 69 VAL N N 120.327 0.300 1 764 70 70 VAL H H 8.656 0.030 1 765 70 70 VAL HA H 5.543 0.030 1 766 70 70 VAL HB H 1.934 0.030 1 767 70 70 VAL HG1 H 1.024 0.030 1 768 70 70 VAL HG2 H 1.075 0.030 1 769 70 70 VAL C C 174.105 0.300 1 770 70 70 VAL CA C 59.028 0.300 1 771 70 70 VAL CB C 34.237 0.300 1 772 70 70 VAL CG1 C 22.945 0.300 2 773 70 70 VAL CG2 C 21.319 0.300 2 774 70 70 VAL N N 124.719 0.300 1 775 71 71 THR H H 8.883 0.030 1 776 71 71 THR HA H 4.724 0.030 1 777 71 71 THR HB H 4.015 0.030 1 778 71 71 THR HG2 H 1.181 0.030 1 779 71 71 THR C C 173.087 0.300 1 780 71 71 THR CA C 59.875 0.300 1 781 71 71 THR CB C 71.290 0.300 1 782 71 71 THR CG2 C 20.794 0.300 1 783 71 71 THR N N 120.107 0.300 1 784 72 72 SER H H 8.706 0.030 1 785 72 72 SER HA H 4.455 0.030 1 786 72 72 SER HB2 H 3.796 0.030 2 787 72 72 SER HB3 H 3.745 0.030 2 788 72 72 SER C C 174.082 0.300 1 789 72 72 SER CA C 59.204 0.300 1 790 72 72 SER CB C 63.476 0.300 1 791 72 72 SER N N 120.128 0.300 1 792 73 73 VAL H H 7.825 0.030 1 793 73 73 VAL HA H 4.302 0.030 1 794 73 73 VAL HB H 1.885 0.030 1 795 73 73 VAL HG1 H 1.004 0.030 1 796 73 73 VAL HG2 H 1.004 0.030 1 797 73 73 VAL C C 175.160 0.300 1 798 73 73 VAL CA C 62.010 0.300 1 799 73 73 VAL CB C 33.579 0.300 1 800 73 73 VAL CG1 C 21.339 0.300 2 801 73 73 VAL CG2 C 21.339 0.300 2 802 73 73 VAL N N 125.377 0.300 1 803 74 74 GLU H H 8.706 0.030 1 804 74 74 GLU HA H 4.544 0.030 1 805 74 74 GLU HB2 H 2.115 0.030 2 806 74 74 GLU HB3 H 1.893 0.030 2 807 74 74 GLU HG2 H 2.329 0.030 2 808 74 74 GLU HG3 H 2.264 0.030 2 809 74 74 GLU C C 176.420 0.300 1 810 74 74 GLU CA C 55.622 0.300 1 811 74 74 GLU CB C 30.741 0.300 1 812 74 74 GLU CG C 36.047 0.300 1 813 74 74 GLU N N 126.564 0.300 1 814 75 75 SER H H 8.639 0.030 1 815 75 75 SER HA H 4.447 0.030 1 816 75 75 SER HB2 H 3.864 0.030 1 817 75 75 SER HB3 H 3.864 0.030 1 818 75 75 SER C C 174.299 0.300 1 819 75 75 SER CA C 58.339 0.300 1 820 75 75 SER CB C 64.170 0.300 1 821 75 75 SER N N 117.961 0.300 1 822 76 76 ASN H H 8.672 0.030 1 823 76 76 ASN HA H 4.795 0.030 1 824 76 76 ASN HB2 H 2.835 0.030 1 825 76 76 ASN HB3 H 2.835 0.030 1 826 76 76 ASN HD21 H 7.611 0.030 2 827 76 76 ASN HD22 H 6.916 0.030 2 828 76 76 ASN C C 175.584 0.300 1 829 76 76 ASN CA C 53.292 0.300 1 830 76 76 ASN CB C 39.089 0.300 1 831 76 76 ASN N N 121.138 0.300 1 832 76 76 ASN ND2 N 112.972 0.300 1 833 78 78 ASN HA H 4.635 0.030 1 834 78 78 ASN HB2 H 2.775 0.030 2 835 78 78 ASN HB3 H 2.885 0.030 2 836 78 78 ASN HD21 H 6.913 0.030 2 837 78 78 ASN HD22 H 7.580 0.030 2 838 78 78 ASN C C 175.681 0.300 1 839 78 78 ASN CA C 53.610 0.300 1 840 78 78 ASN CB C 38.496 0.300 1 841 78 78 ASN ND2 N 112.784 0.300 1 842 79 79 GLY H H 8.356 0.030 1 843 79 79 GLY HA2 H 3.821 0.030 2 844 79 79 GLY HA3 H 4.011 0.030 2 845 79 79 GLY C C 174.154 0.300 1 846 79 79 GLY CA C 45.563 0.300 1 847 79 79 GLY N N 108.284 0.300 1 848 80 80 ARG H H 7.919 0.030 1 849 80 80 ARG HA H 4.344 0.030 1 850 80 80 ARG HB2 H 1.842 0.030 2 851 80 80 ARG HB3 H 1.757 0.030 2 852 80 80 ARG HD2 H 3.173 0.030 1 853 80 80 ARG HD3 H 3.173 0.030 1 854 80 80 ARG HG2 H 1.583 0.030 1 855 80 80 ARG HG3 H 1.583 0.030 1 856 80 80 ARG C C 176.117 0.300 1 857 80 80 ARG CA C 55.905 0.300 1 858 80 80 ARG CB C 30.782 0.300 1 859 80 80 ARG CD C 43.484 0.300 1 860 80 80 ARG CG C 27.181 0.300 1 861 80 80 ARG N N 120.470 0.300 1 862 81 81 LYS H H 8.427 0.030 1 863 81 81 LYS HA H 4.350 0.030 1 864 81 81 LYS HB2 H 1.741 0.030 2 865 81 81 LYS HB3 H 1.834 0.030 2 866 81 81 LYS HD2 H 1.695 0.030 1 867 81 81 LYS HD3 H 1.695 0.030 1 868 81 81 LYS HE2 H 2.981 0.030 1 869 81 81 LYS HE3 H 2.981 0.030 1 870 81 81 LYS HG2 H 1.404 0.030 1 871 81 81 LYS HG3 H 1.404 0.030 1 872 81 81 LYS C C 176.808 0.300 1 873 81 81 LYS CA C 56.416 0.300 1 874 81 81 LYS CB C 32.797 0.300 1 875 81 81 LYS CD C 29.055 0.300 1 876 81 81 LYS CE C 42.297 0.300 1 877 81 81 LYS CG C 24.613 0.300 1 878 81 81 LYS N N 122.963 0.300 1 879 82 82 SER H H 8.440 0.030 1 880 82 82 SER HA H 4.380 0.030 1 881 82 82 SER HB2 H 3.824 0.030 2 882 82 82 SER HB3 H 3.887 0.030 2 883 82 82 SER C C 174.833 0.300 1 884 82 82 SER CA C 58.763 0.300 1 885 82 82 SER CB C 63.723 0.300 1 886 82 82 SER N N 118.053 0.300 1 887 83 83 GLU H H 8.648 0.030 1 888 83 83 GLU HA H 4.233 0.030 1 889 83 83 GLU HB2 H 2.066 0.030 2 890 83 83 GLU HB3 H 1.895 0.030 2 891 83 83 GLU HG2 H 2.225 0.030 1 892 83 83 GLU HG3 H 2.225 0.030 1 893 83 83 GLU C C 176.311 0.300 1 894 83 83 GLU CA C 57.104 0.300 1 895 83 83 GLU CB C 29.795 0.300 1 896 83 83 GLU CG C 36.314 0.300 1 897 83 83 GLU N N 121.793 0.300 1 898 84 84 GLU H H 8.088 0.030 1 899 84 84 GLU HA H 4.161 0.030 1 900 84 84 GLU HB2 H 1.851 0.030 2 901 84 84 GLU HB3 H 1.805 0.030 2 902 84 84 GLU HG2 H 2.103 0.030 1 903 84 84 GLU HG3 H 2.103 0.030 1 904 84 84 GLU C C 175.523 0.300 1 905 84 84 GLU CA C 56.275 0.300 1 906 84 84 GLU CB C 30.165 0.300 1 907 84 84 GLU CG C 36.375 0.300 1 908 84 84 GLU N N 119.385 0.300 1 909 85 85 GLU H H 7.907 0.030 1 910 85 85 GLU HA H 4.350 0.030 1 911 85 85 GLU HB2 H 1.884 0.030 2 912 85 85 GLU HB3 H 1.768 0.030 2 913 85 85 GLU HG2 H 2.103 0.030 2 914 85 85 GLU HG3 H 2.174 0.030 2 915 85 85 GLU C C 175.002 0.300 1 916 85 85 GLU CA C 55.569 0.300 1 917 85 85 GLU CB C 32.098 0.300 1 918 85 85 GLU CG C 36.375 0.300 1 919 85 85 GLU N N 120.414 0.300 1 920 86 86 ASN H H 8.569 0.030 1 921 86 86 ASN HA H 4.225 0.030 1 922 86 86 ASN HB2 H 3.203 0.030 2 923 86 86 ASN HB3 H 2.152 0.030 2 924 86 86 ASN HD21 H 6.858 0.030 2 925 86 86 ASN HD22 H 6.654 0.030 2 926 86 86 ASN C C 175.147 0.300 1 927 86 86 ASN CA C 54.068 0.300 1 928 86 86 ASN CB C 38.185 0.300 1 929 86 86 ASN N N 114.602 0.300 1 930 86 86 ASN ND2 N 113.662 0.300 1 931 87 87 LEU H H 8.483 0.030 1 932 87 87 LEU HA H 5.186 0.030 1 933 87 87 LEU HB2 H 1.808 0.030 2 934 87 87 LEU HB3 H 1.571 0.030 2 935 87 87 LEU HD1 H 0.874 0.030 1 936 87 87 LEU HD2 H 0.743 0.030 1 937 87 87 LEU HG H 1.524 0.030 1 938 87 87 LEU C C 178.480 0.300 1 939 87 87 LEU CA C 55.128 0.300 1 940 87 87 LEU CB C 44.559 0.300 1 941 87 87 LEU CD1 C 25.499 0.300 2 942 87 87 LEU CD2 C 25.108 0.300 2 943 87 87 LEU CG C 27.821 0.300 1 944 87 87 LEU N N 121.334 0.300 1 945 88 88 PHE H H 9.512 0.030 1 946 88 88 PHE HA H 5.156 0.030 1 947 88 88 PHE HB2 H 3.038 0.030 2 948 88 88 PHE HB3 H 2.943 0.030 2 949 88 88 PHE HD1 H 6.891 0.030 1 950 88 88 PHE HD2 H 6.891 0.030 1 951 88 88 PHE HE1 H 6.708 0.030 1 952 88 88 PHE HE2 H 6.708 0.030 1 953 88 88 PHE HZ H 6.451 0.030 1 954 88 88 PHE C C 170.288 0.300 1 955 88 88 PHE CA C 56.787 0.300 1 956 88 88 PHE CB C 41.763 0.300 1 957 88 88 PHE CD1 C 132.792 0.300 1 958 88 88 PHE CD2 C 132.792 0.300 1 959 88 88 PHE CE1 C 129.709 0.300 1 960 88 88 PHE CE2 C 129.709 0.300 1 961 88 88 PHE CZ C 129.628 0.300 1 962 88 88 PHE N N 119.324 0.300 1 963 89 89 GLU H H 9.028 0.030 1 964 89 89 GLU HA H 5.293 0.030 1 965 89 89 GLU HB2 H 1.846 0.030 2 966 89 89 GLU HB3 H 1.553 0.030 2 967 89 89 GLU HG2 H 1.444 0.030 2 968 89 89 GLU HG3 H 1.714 0.030 2 969 89 89 GLU C C 175.245 0.300 1 970 89 89 GLU CA C 53.433 0.300 1 971 89 89 GLU CB C 34.566 0.300 1 972 89 89 GLU CG C 35.635 0.300 1 973 89 89 GLU N N 121.829 0.300 1 974 90 90 ILE H H 8.655 0.030 1 975 90 90 ILE HA H 4.793 0.030 1 976 90 90 ILE HB H 1.553 0.030 1 977 90 90 ILE HD1 H 0.600 0.030 1 978 90 90 ILE HG12 H 0.886 0.030 2 979 90 90 ILE HG13 H 1.604 0.030 2 980 90 90 ILE HG2 H 0.713 0.030 1 981 90 90 ILE C C 174.808 0.300 1 982 90 90 ILE CA C 59.857 0.300 1 983 90 90 ILE CB C 41.886 0.300 1 984 90 90 ILE CD1 C 15.401 0.300 1 985 90 90 ILE CG1 C 27.400 0.300 1 986 90 90 ILE CG2 C 16.800 0.300 1 987 90 90 ILE N N 123.446 0.300 1 988 91 91 ILE H H 9.199 0.030 1 989 91 91 ILE HA H 4.724 0.030 1 990 91 91 ILE HB H 1.516 0.030 1 991 91 91 ILE HD1 H 0.621 0.030 1 992 91 91 ILE HG12 H 1.095 0.030 2 993 91 91 ILE HG13 H 0.044 0.030 2 994 91 91 ILE HG2 H 0.365 0.030 1 995 91 91 ILE C C 177.898 0.300 1 996 91 91 ILE CA C 60.211 0.300 1 997 91 91 ILE CB C 39.043 0.300 1 998 91 91 ILE CD1 C 14.908 0.300 1 999 91 91 ILE CG1 C 28.084 0.300 1 1000 91 91 ILE CG2 C 17.863 0.300 1 1001 91 91 ILE N N 126.827 0.300 1 1002 92 92 THR H H 9.086 0.030 1 1003 92 92 THR HA H 4.314 0.030 1 1004 92 92 THR HB H 4.807 0.030 1 1005 92 92 THR HG2 H 1.424 0.030 1 1006 92 92 THR C C 176.857 0.300 1 1007 92 92 THR CA C 61.693 0.300 1 1008 92 92 THR CB C 70.920 0.300 1 1009 92 92 THR CG2 C 23.544 0.300 1 1010 92 92 THR N N 117.131 0.300 1 1011 93 93 ALA H H 9.192 0.030 1 1012 93 93 ALA HA H 4.101 0.030 1 1013 93 93 ALA HB H 1.464 0.030 1 1014 93 93 ALA C C 178.008 0.300 1 1015 93 93 ALA CA C 54.634 0.300 1 1016 93 93 ALA CB C 18.198 0.300 1 1017 93 93 ALA N N 123.540 0.300 1 1018 94 94 ASP H H 7.979 0.030 1 1019 94 94 ASP HA H 4.724 0.030 1 1020 94 94 ASP HB2 H 2.762 0.030 2 1021 94 94 ASP HB3 H 2.726 0.030 2 1022 94 94 ASP C C 174.324 0.300 1 1023 94 94 ASP CA C 53.098 0.300 1 1024 94 94 ASP CB C 39.336 0.300 1 1025 94 94 ASP N N 113.209 0.300 1 1026 95 95 GLU H H 8.152 0.030 1 1027 95 95 GLU HA H 3.430 0.030 1 1028 95 95 GLU HB2 H 2.359 0.030 2 1029 95 95 GLU HB3 H 2.179 0.030 2 1030 95 95 GLU HG2 H 2.156 0.030 2 1031 95 95 GLU HG3 H 2.074 0.030 2 1032 95 95 GLU C C 174.578 0.300 1 1033 95 95 GLU CA C 57.687 0.300 1 1034 95 95 GLU CB C 26.300 0.300 1 1035 95 95 GLU CG C 37.180 0.300 1 1036 95 95 GLU N N 114.010 0.300 1 1037 96 96 VAL H H 7.595 0.030 1 1038 96 96 VAL HA H 4.063 0.030 1 1039 96 96 VAL HB H 2.065 0.030 1 1040 96 96 VAL HG1 H 0.619 0.030 1 1041 96 96 VAL HG2 H 0.809 0.030 1 1042 96 96 VAL C C 175.293 0.300 1 1043 96 96 VAL CA C 62.751 0.300 1 1044 96 96 VAL CB C 31.440 0.300 1 1045 96 96 VAL CG1 C 21.652 0.300 2 1046 96 96 VAL CG2 C 21.875 0.300 2 1047 96 96 VAL N N 120.925 0.300 1 1048 97 97 HIS H H 8.603 0.030 1 1049 97 97 HIS HA H 5.234 0.030 1 1050 97 97 HIS HB2 H 2.981 0.030 2 1051 97 97 HIS HB3 H 2.636 0.030 2 1052 97 97 HIS HD2 H 7.245 0.030 1 1053 97 97 HIS HE1 H 8.417 0.030 1 1054 97 97 HIS C C 174.348 0.300 1 1055 97 97 HIS CA C 54.404 0.300 1 1056 97 97 HIS CB C 30.536 0.300 1 1057 97 97 HIS CD2 C 119.919 0.300 1 1058 97 97 HIS CE1 C 135.464 0.300 1 1059 97 97 HIS N N 124.160 0.300 1 1060 98 98 TYR H H 9.267 0.030 1 1061 98 98 TYR HA H 4.532 0.030 1 1062 98 98 TYR HB2 H 2.554 0.030 2 1063 98 98 TYR HB3 H 2.463 0.030 2 1064 98 98 TYR HD1 H 6.816 0.030 1 1065 98 98 TYR HD2 H 6.816 0.030 1 1066 98 98 TYR HE1 H 6.738 0.030 1 1067 98 98 TYR HE2 H 6.738 0.030 1 1068 98 98 TYR C C 173.621 0.300 1 1069 98 98 TYR CA C 57.122 0.300 1 1070 98 98 TYR CB C 41.228 0.300 1 1071 98 98 TYR CD1 C 132.534 0.300 1 1072 98 98 TYR CD2 C 132.534 0.300 1 1073 98 98 TYR CE1 C 118.558 0.300 1 1074 98 98 TYR CE2 C 118.558 0.300 1 1075 98 98 TYR N N 121.543 0.300 1 1076 99 99 PHE H H 8.861 0.030 1 1077 99 99 PHE HA H 4.983 0.030 1 1078 99 99 PHE HB2 H 2.893 0.030 2 1079 99 99 PHE HB3 H 2.701 0.030 2 1080 99 99 PHE HD1 H 7.072 0.030 1 1081 99 99 PHE HD2 H 7.072 0.030 1 1082 99 99 PHE HE1 H 7.195 0.030 1 1083 99 99 PHE HE2 H 7.195 0.030 1 1084 99 99 PHE C C 173.754 0.300 1 1085 99 99 PHE CA C 57.705 0.300 1 1086 99 99 PHE CB C 41.516 0.300 1 1087 99 99 PHE CD1 C 131.275 0.300 1 1088 99 99 PHE CD2 C 131.275 0.300 1 1089 99 99 PHE CE1 C 131.242 0.300 1 1090 99 99 PHE CE2 C 131.242 0.300 1 1091 99 99 PHE N N 121.699 0.300 1 1092 100 100 LEU H H 8.529 0.030 1 1093 100 100 LEU HA H 5.345 0.030 1 1094 100 100 LEU HB2 H 0.395 0.030 2 1095 100 100 LEU HB3 H -0.219 0.030 2 1096 100 100 LEU HD1 H 0.335 0.030 1 1097 100 100 LEU HD2 H -0.005 0.030 1 1098 100 100 LEU HG H 0.924 0.030 1 1099 100 100 LEU C C 174.942 0.300 1 1100 100 100 LEU CA C 52.781 0.300 1 1101 100 100 LEU CB C 44.518 0.300 1 1102 100 100 LEU CD1 C 25.025 0.300 2 1103 100 100 LEU CD2 C 25.025 0.300 2 1104 100 100 LEU CG C 27.489 0.300 1 1105 100 100 LEU N N 123.519 0.300 1 1106 101 101 GLN H H 8.717 0.030 1 1107 101 101 GLN HA H 4.886 0.030 1 1108 101 101 GLN HB2 H 1.654 0.030 2 1109 101 101 GLN HB3 H 1.197 0.030 2 1110 101 101 GLN HE21 H 4.973 0.030 2 1111 101 101 GLN HE22 H 6.174 0.030 2 1112 101 101 GLN HG2 H 2.144 0.030 2 1113 101 101 GLN HG3 H 1.886 0.030 2 1114 101 101 GLN C C 175.390 0.300 1 1115 101 101 GLN CA C 54.934 0.300 1 1116 101 101 GLN CB C 32.222 0.300 1 1117 101 101 GLN CG C 33.825 0.300 1 1118 101 101 GLN N N 117.786 0.300 1 1119 101 101 GLN NE2 N 107.578 0.300 1 1120 102 102 ALA H H 8.256 0.030 1 1121 102 102 ALA HA H 4.862 0.030 1 1122 102 102 ALA HB H 1.654 0.030 1 1123 102 102 ALA C C 176.008 0.300 1 1124 102 102 ALA CA C 50.098 0.300 1 1125 102 102 ALA CB C 21.606 0.300 1 1126 102 102 ALA N N 128.068 0.300 1 1127 103 103 ALA H H 9.255 0.030 1 1128 103 103 ALA HA H 4.247 0.030 1 1129 103 103 ALA HB H 1.567 0.030 1 1130 103 103 ALA C C 178.153 0.300 1 1131 103 103 ALA CA C 54.369 0.300 1 1132 103 103 ALA CB C 20.377 0.300 1 1133 103 103 ALA N N 120.410 0.300 1 1134 104 104 THR H H 7.149 0.030 1 1135 104 104 THR HA H 4.846 0.030 1 1136 104 104 THR HB H 4.642 0.030 1 1137 104 104 THR HG2 H 1.244 0.030 1 1138 104 104 THR C C 173.354 0.300 1 1139 104 104 THR CA C 57.810 0.300 1 1140 104 104 THR CB C 71.496 0.300 1 1141 104 104 THR CG2 C 22.109 0.300 1 1142 104 104 THR N N 103.106 0.300 1 1143 105 105 PRO HA H 4.225 0.030 1 1144 105 105 PRO HB2 H 2.452 0.030 2 1145 105 105 PRO HB3 H 2.025 0.030 2 1146 105 105 PRO HD2 H 3.885 0.030 2 1147 105 105 PRO HD3 H 4.024 0.030 2 1148 105 105 PRO HG2 H 2.196 0.030 1 1149 105 105 PRO HG3 H 2.196 0.030 1 1150 105 105 PRO C C 179.704 0.300 1 1151 105 105 PRO CA C 65.046 0.300 1 1152 105 105 PRO CB C 31.775 0.300 1 1153 105 105 PRO CD C 50.706 0.300 1 1154 105 105 PRO CG C 27.492 0.300 1 1155 106 106 LYS H H 7.764 0.030 1 1156 106 106 LYS HA H 4.036 0.030 1 1157 106 106 LYS HB2 H 1.889 0.030 2 1158 106 106 LYS HB3 H 1.704 0.030 2 1159 106 106 LYS HD2 H 1.667 0.030 1 1160 106 106 LYS HD3 H 1.667 0.030 1 1161 106 106 LYS HE2 H 2.954 0.030 1 1162 106 106 LYS HE3 H 2.954 0.030 1 1163 106 106 LYS HG2 H 1.286 0.030 2 1164 106 106 LYS HG3 H 1.404 0.030 2 1165 106 106 LYS C C 177.959 0.300 1 1166 106 106 LYS CA C 59.452 0.300 1 1167 106 106 LYS CB C 32.797 0.300 1 1168 106 106 LYS CD C 29.548 0.300 1 1169 106 106 LYS CE C 42.050 0.300 1 1170 106 106 LYS CG C 24.549 0.300 1 1171 106 106 LYS N N 119.261 0.300 1 1172 107 107 GLU H H 8.005 0.030 1 1173 107 107 GLU HA H 4.171 0.030 1 1174 107 107 GLU HB2 H 2.324 0.030 2 1175 107 107 GLU HB3 H 2.214 0.030 2 1176 107 107 GLU HG2 H 2.553 0.030 2 1177 107 107 GLU HG3 H 2.428 0.030 2 1178 107 107 GLU C C 178.529 0.300 1 1179 107 107 GLU CA C 59.310 0.300 1 1180 107 107 GLU CB C 31.111 0.300 1 1181 107 107 GLU CG C 38.431 0.300 1 1182 107 107 GLU N N 119.293 0.300 1 1183 108 108 ARG H H 7.810 0.030 1 1184 108 108 ARG HA H 3.603 0.030 1 1185 108 108 ARG HB2 H 2.290 0.030 2 1186 108 108 ARG HB3 H 1.557 0.030 2 1187 108 108 ARG HD2 H 3.325 0.030 2 1188 108 108 ARG HD3 H 2.740 0.030 2 1189 108 108 ARG HG2 H 1.374 0.030 2 1190 108 108 ARG HG3 H 1.219 0.030 2 1191 108 108 ARG C C 176.287 0.300 1 1192 108 108 ARG CA C 60.598 0.300 1 1193 108 108 ARG CB C 29.548 0.300 1 1194 108 108 ARG CD C 44.554 0.300 1 1195 108 108 ARG CG C 25.929 0.300 1 1196 108 108 ARG N N 118.989 0.300 1 1197 109 109 THR H H 8.195 0.030 1 1198 109 109 THR HA H 3.645 0.030 1 1199 109 109 THR HB H 4.281 0.030 1 1200 109 109 THR HG2 H 1.210 0.030 1 1201 109 109 THR C C 176.227 0.300 1 1202 109 109 THR CA C 67.022 0.300 1 1203 109 109 THR CB C 68.576 0.300 1 1204 109 109 THR CG2 C 22.228 0.300 1 1205 109 109 THR N N 115.975 0.300 1 1206 110 110 GLU H H 8.274 0.030 1 1207 110 110 GLU HA H 3.794 0.030 1 1208 110 110 GLU HB2 H 2.154 0.030 2 1209 110 110 GLU HB3 H 1.557 0.030 2 1210 110 110 GLU HG2 H 2.494 0.030 2 1211 110 110 GLU HG3 H 2.149 0.030 2 1212 110 110 GLU C C 180.516 0.300 1 1213 110 110 GLU CA C 59.534 0.300 1 1214 110 110 GLU CB C 29.507 0.300 1 1215 110 110 GLU CG C 36.854 0.300 1 1216 110 110 GLU N N 119.565 0.300 1 1217 111 111 TRP H H 8.316 0.030 1 1218 111 111 TRP HA H 3.912 0.030 1 1219 111 111 TRP HB2 H 2.810 0.030 2 1220 111 111 TRP HB3 H 2.912 0.030 2 1221 111 111 TRP HD1 H 7.300 0.030 1 1222 111 111 TRP HE1 H 10.955 0.030 1 1223 111 111 TRP HE3 H 7.381 0.030 1 1224 111 111 TRP HH2 H 6.889 0.030 1 1225 111 111 TRP HZ2 H 7.036 0.030 1 1226 111 111 TRP HZ3 H 6.873 0.030 1 1227 111 111 TRP C C 178.020 0.300 1 1228 111 111 TRP CA C 62.464 0.300 1 1229 111 111 TRP CB C 29.548 0.300 1 1230 111 111 TRP CD1 C 127.061 0.300 1 1231 111 111 TRP CE3 C 118.865 0.300 1 1232 111 111 TRP CH2 C 123.761 0.300 1 1233 111 111 TRP CZ2 C 114.070 0.300 1 1234 111 111 TRP CZ3 C 121.093 0.300 1 1235 111 111 TRP N N 120.868 0.300 1 1236 111 111 TRP NE1 N 130.050 0.300 1 1237 112 112 ILE H H 8.271 0.030 1 1238 112 112 ILE HA H 3.254 0.030 1 1239 112 112 ILE HB H 1.641 0.030 1 1240 112 112 ILE HD1 H 0.609 0.030 1 1241 112 112 ILE HG12 H 1.194 0.030 2 1242 112 112 ILE HG13 H 0.394 0.030 2 1243 112 112 ILE HG2 H 0.700 0.030 1 1244 112 112 ILE C C 177.669 0.300 1 1245 112 112 ILE CA C 67.040 0.300 1 1246 112 112 ILE CB C 37.856 0.300 1 1247 112 112 ILE CD1 C 14.643 0.300 1 1248 112 112 ILE CG1 C 29.050 0.300 1 1249 112 112 ILE CG2 C 15.992 0.300 1 1250 112 112 ILE N N 118.862 0.300 1 1251 113 113 LYS H H 8.042 0.030 1 1252 113 113 LYS HA H 3.991 0.030 1 1253 113 113 LYS HB2 H 1.750 0.030 1 1254 113 113 LYS HB3 H 1.750 0.030 1 1255 113 113 LYS HD2 H 1.624 0.030 1 1256 113 113 LYS HD3 H 1.624 0.030 1 1257 113 113 LYS HE2 H 2.894 0.030 1 1258 113 113 LYS HE3 H 2.894 0.030 1 1259 113 113 LYS HG2 H 1.529 0.030 2 1260 113 113 LYS HG3 H 1.401 0.030 2 1261 113 113 LYS C C 178.977 0.300 1 1262 113 113 LYS CA C 59.328 0.300 1 1263 113 113 LYS CB C 32.345 0.300 1 1264 113 113 LYS CD C 29.319 0.300 1 1265 113 113 LYS CE C 42.033 0.300 1 1266 113 113 LYS CG C 25.107 0.300 1 1267 113 113 LYS N N 117.182 0.300 1 1268 114 114 ALA H H 7.686 0.030 1 1269 114 114 ALA HA H 4.058 0.030 1 1270 114 114 ALA HB H 1.155 0.030 1 1271 114 114 ALA C C 179.849 0.300 1 1272 114 114 ALA CA C 55.146 0.300 1 1273 114 114 ALA CB C 18.362 0.300 1 1274 114 114 ALA N N 120.689 0.300 1 1275 115 115 ILE H H 8.594 0.030 1 1276 115 115 ILE HA H 3.534 0.030 1 1277 115 115 ILE HB H 1.925 0.030 1 1278 115 115 ILE HD1 H 0.993 0.030 1 1279 115 115 ILE HG12 H 0.995 0.030 2 1280 115 115 ILE HG13 H 2.314 0.030 2 1281 115 115 ILE HG2 H 0.833 0.030 1 1282 115 115 ILE C C 178.432 0.300 1 1283 115 115 ILE CA C 66.016 0.300 1 1284 115 115 ILE CB C 38.390 0.300 1 1285 115 115 ILE CD1 C 14.923 0.300 1 1286 115 115 ILE CG1 C 31.085 0.300 1 1287 115 115 ILE CG2 C 18.609 0.300 1 1288 115 115 ILE N N 118.898 0.300 1 1289 116 116 GLN H H 8.732 0.030 1 1290 116 116 GLN HA H 3.851 0.030 1 1291 116 116 GLN HB2 H 1.904 0.030 2 1292 116 116 GLN HB3 H 2.294 0.030 2 1293 116 116 GLN HE21 H 6.725 0.030 2 1294 116 116 GLN HE22 H 7.345 0.030 2 1295 116 116 GLN HG2 H 2.604 0.030 2 1296 116 116 GLN HG3 H 2.294 0.030 2 1297 116 116 GLN C C 179.655 0.300 1 1298 116 116 GLN CA C 59.575 0.300 1 1299 116 116 GLN CB C 28.222 0.300 1 1300 116 116 GLN CG C 34.730 0.300 1 1301 116 116 GLN N N 119.877 0.300 1 1302 116 116 GLN NE2 N 111.161 0.300 1 1303 117 117 MET H H 8.279 0.030 1 1304 117 117 MET HA H 4.155 0.030 1 1305 117 117 MET HB2 H 2.204 0.030 1 1306 117 117 MET HB3 H 2.204 0.030 1 1307 117 117 MET HE H 2.060 0.030 1 1308 117 117 MET HG2 H 2.686 0.030 2 1309 117 117 MET HG3 H 2.563 0.030 2 1310 117 117 MET C C 179.123 0.300 1 1311 117 117 MET CA C 58.658 0.300 1 1312 117 117 MET CB C 31.934 0.300 1 1313 117 117 MET CE C 16.854 0.300 1 1314 117 117 MET CG C 32.016 0.300 1 1315 117 117 MET N N 118.855 0.300 1 1316 118 118 ALA H H 8.266 0.030 1 1317 118 118 ALA HA H 4.240 0.030 1 1318 118 118 ALA HB H 1.494 0.030 1 1319 118 118 ALA C C 178.820 0.300 1 1320 118 118 ALA CA C 54.604 0.300 1 1321 118 118 ALA CB C 18.627 0.300 1 1322 118 118 ALA N N 121.702 0.300 1 1323 119 119 SER H H 8.073 0.030 1 1324 119 119 SER HA H 4.027 0.030 1 1325 119 119 SER HB2 H 4.155 0.030 2 1326 119 119 SER HB3 H 3.874 0.030 2 1327 119 119 SER C C 174.663 0.300 1 1328 119 119 SER CA C 60.122 0.300 1 1329 119 119 SER CB C 64.299 0.300 1 1330 119 119 SER N N 110.080 0.300 1 1331 120 120 ARG H H 7.345 0.030 1 1332 120 120 ARG HA H 4.383 0.030 1 1333 120 120 ARG HB2 H 1.955 0.030 2 1334 120 120 ARG HB3 H 2.016 0.030 2 1335 120 120 ARG HD2 H 3.234 0.030 1 1336 120 120 ARG HD3 H 3.234 0.030 1 1337 120 120 ARG HG2 H 1.793 0.030 2 1338 120 120 ARG HG3 H 1.747 0.030 2 1339 120 120 ARG C C 176.372 0.300 1 1340 120 120 ARG CA C 56.681 0.300 1 1341 120 120 ARG CB C 30.248 0.300 1 1342 120 120 ARG CD C 43.778 0.300 1 1343 120 120 ARG CG C 27.181 0.300 1 1344 120 120 ARG N N 120.244 0.300 1 1345 121 121 THR H H 8.070 0.030 1 1346 121 121 THR HA H 4.365 0.030 1 1347 121 121 THR HB H 4.283 0.030 1 1348 121 121 THR HG2 H 1.294 0.030 1 1349 121 121 THR C C 175.281 0.300 1 1350 121 121 THR CA C 62.557 0.300 1 1351 121 121 THR CB C 70.298 0.300 1 1352 121 121 THR CG2 C 21.817 0.300 1 1353 121 121 THR N N 114.024 0.300 1 1354 122 122 GLY H H 8.520 0.030 1 1355 122 122 GLY HA2 H 4.005 0.030 1 1356 122 122 GLY HA3 H 4.005 0.030 1 1357 122 122 GLY C C 174.118 0.300 1 1358 122 122 GLY CA C 45.351 0.300 1 1359 122 122 GLY N N 111.123 0.300 1 1360 123 123 LYS H H 8.309 0.030 1 1361 123 123 LYS HA H 4.364 0.030 1 1362 123 123 LYS HB2 H 1.753 0.030 2 1363 123 123 LYS HB3 H 1.874 0.030 2 1364 123 123 LYS HD2 H 1.664 0.030 1 1365 123 123 LYS HD3 H 1.664 0.030 1 1366 123 123 LYS HE2 H 2.981 0.030 1 1367 123 123 LYS HE3 H 2.981 0.030 1 1368 123 123 LYS HG2 H 1.419 0.030 1 1369 123 123 LYS HG3 H 1.419 0.030 1 1370 123 123 LYS C C 176.772 0.300 1 1371 123 123 LYS CA C 56.310 0.300 1 1372 123 123 LYS CB C 33.167 0.300 1 1373 123 123 LYS CD C 29.055 0.300 1 1374 123 123 LYS CE C 42.215 0.300 1 1375 123 123 LYS CG C 24.613 0.300 1 1376 123 123 LYS N N 121.100 0.300 1 1377 124 124 SER H H 8.453 0.030 1 1378 124 124 SER HA H 4.489 0.030 1 1379 124 124 SER C C 174.518 0.300 1 1380 124 124 SER CA C 58.357 0.300 1 1381 124 124 SER CB C 64.052 0.300 1 1382 124 124 SER N N 117.316 0.300 1 1383 125 125 GLY H H 8.278 0.030 1 1384 125 125 GLY HA2 H 4.154 0.030 2 1385 125 125 GLY HA3 H 4.102 0.030 2 1386 125 125 GLY C C 171.827 0.300 1 1387 125 125 GLY CA C 44.680 0.300 1 1388 125 125 GLY N N 110.670 0.300 1 1389 126 126 PRO HA H 4.461 0.030 1 1390 126 126 PRO HB2 H 2.290 0.030 2 1391 126 126 PRO HB3 H 1.958 0.030 2 1392 126 126 PRO HD2 H 3.631 0.030 1 1393 126 126 PRO HD3 H 3.631 0.030 1 1394 126 126 PRO HG2 H 2.014 0.030 1 1395 126 126 PRO HG3 H 2.014 0.030 1 1396 126 126 PRO C C 177.426 0.300 1 1397 126 126 PRO CA C 63.281 0.300 1 1398 126 126 PRO CB C 32.263 0.300 1 1399 126 126 PRO CD C 49.946 0.300 1 1400 126 126 PRO CG C 27.163 0.300 1 1401 127 127 SER H H 8.556 0.030 1 1402 127 127 SER HA H 4.489 0.030 1 1403 127 127 SER HB2 H 3.894 0.030 1 1404 127 127 SER HB3 H 3.894 0.030 1 1405 127 127 SER C C 174.651 0.300 1 1406 127 127 SER CA C 58.410 0.300 1 1407 127 127 SER CB C 63.682 0.300 1 1408 127 127 SER N N 116.423 0.300 1 1409 128 128 SER H H 8.313 0.030 1 1410 128 128 SER HA H 4.489 0.030 1 1411 128 128 SER HB2 H 3.866 0.030 1 1412 128 128 SER HB3 H 3.866 0.030 1 1413 128 128 SER C C 173.936 0.300 1 1414 128 128 SER CA C 58.393 0.300 1 1415 128 128 SER CB C 64.052 0.300 1 1416 128 128 SER N N 117.750 0.300 1 1417 129 129 GLY H H 8.054 0.030 1 1418 129 129 GLY C C 179.001 0.300 1 1419 129 129 GLY CA C 46.163 0.300 1 1420 129 129 GLY N N 116.843 0.300 1 stop_ save_