data_10039 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Pleckstrin Homology Domain of Mouse Ethanol Decreased 4 Protein ; _BMRB_accession_number 10039 _BMRB_flat_file_name bmr10039.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-10 _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" 634 "13C chemical shifts" 489 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Pleckstrin Homology Domain of Mouse Ethanol Decreased 4 Protein ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 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 'FYVE, RhoGEF and PH domain containing 6; ethanol decreased 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FYVE, RhoGEF and PH domain containing 6; ethanol decreased 4' $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 'Pleckstrin Homology domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; GSSGSSGSTMSGYLYRSKGS KKPWKHLWFVIKNKVLYTYA ASEDVAALESQPLLGFTVTL VKDENSESKVFQLLHKGMVF YVFKADDAHSTQRWIDAFQE GTVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 THR 10 MET 11 SER 12 GLY 13 TYR 14 LEU 15 TYR 16 ARG 17 SER 18 LYS 19 GLY 20 SER 21 LYS 22 LYS 23 PRO 24 TRP 25 LYS 26 HIS 27 LEU 28 TRP 29 PHE 30 VAL 31 ILE 32 LYS 33 ASN 34 LYS 35 VAL 36 LEU 37 TYR 38 THR 39 TYR 40 ALA 41 ALA 42 SER 43 GLU 44 ASP 45 VAL 46 ALA 47 ALA 48 LEU 49 GLU 50 SER 51 GLN 52 PRO 53 LEU 54 LEU 55 GLY 56 PHE 57 THR 58 VAL 59 THR 60 LEU 61 VAL 62 LYS 63 ASP 64 GLU 65 ASN 66 SER 67 GLU 68 SER 69 LYS 70 VAL 71 PHE 72 GLN 73 LEU 74 LEU 75 HIS 76 LYS 77 GLY 78 MET 79 VAL 80 PHE 81 TYR 82 VAL 83 PHE 84 LYS 85 ALA 86 ASP 87 ASP 88 ALA 89 HIS 90 SER 91 THR 92 GLN 93 ARG 94 TRP 95 ILE 96 ASP 97 ALA 98 PHE 99 GLN 100 GLU 101 GLY 102 THR 103 VAL 104 SER 105 GLY 106 PRO 107 SER 108 SER 109 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WGQ "Solution Structure Of The Pleckstrin Homology Domain Of Mouse Ethanol Decreased 4 Protein" 100.00 109 100.00 100.00 1.80e-72 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 P030212-46 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 1.22 mM '[U-13C, U-15N]' Phosphate 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 0.897 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 'FYVE, RhoGEF and PH domain containing 6; ethanol decreased 4' _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 4 4 GLY HA2 H 3.970 0.030 1 2 4 4 GLY HA3 H 3.970 0.030 1 3 4 4 GLY C C 174.388 0.300 1 4 4 4 GLY CA C 45.416 0.300 1 5 5 5 SER H H 8.275 0.030 1 6 5 5 SER HA H 4.523 0.030 1 7 5 5 SER HB2 H 3.860 0.030 1 8 5 5 SER HB3 H 3.860 0.030 1 9 5 5 SER C C 174.969 0.300 1 10 5 5 SER CA C 58.348 0.300 1 11 5 5 SER CB C 63.912 0.300 1 12 5 5 SER N N 115.587 0.300 1 13 6 6 SER H H 8.583 0.030 1 14 6 6 SER HA H 4.468 0.030 1 15 6 6 SER HB2 H 3.887 0.030 1 16 6 6 SER HB3 H 3.887 0.030 1 17 6 6 SER C C 175.139 0.300 1 18 6 6 SER CA C 58.612 0.300 1 19 6 6 SER CB C 63.747 0.300 1 20 6 6 SER N N 118.246 0.300 1 21 7 7 GLY H H 8.470 0.030 1 22 7 7 GLY HA2 H 3.994 0.030 1 23 7 7 GLY HA3 H 3.994 0.030 1 24 7 7 GLY C C 174.194 0.300 1 25 7 7 GLY CA C 45.345 0.300 1 26 7 7 GLY N N 110.880 0.300 1 27 8 8 SER H H 8.190 0.030 1 28 8 8 SER HA H 4.509 0.030 1 29 8 8 SER HB2 H 3.767 0.030 2 30 8 8 SER HB3 H 3.856 0.030 2 31 8 8 SER C C 174.352 0.300 1 32 8 8 SER CA C 58.153 0.300 1 33 8 8 SER CB C 64.142 0.300 1 34 8 8 SER N N 115.414 0.300 1 35 9 9 THR H H 8.505 0.030 1 36 9 9 THR HA H 4.427 0.030 1 37 9 9 THR HB H 3.934 0.030 1 38 9 9 THR HG2 H 1.131 0.030 1 39 9 9 THR C C 173.867 0.300 1 40 9 9 THR CA C 62.599 0.300 1 41 9 9 THR CB C 69.948 0.300 1 42 9 9 THR CG2 C 21.782 0.300 1 43 9 9 THR N N 117.437 0.300 1 44 10 10 MET H H 7.566 0.030 1 45 10 10 MET HA H 4.321 0.030 1 46 10 10 MET HB2 H 1.428 0.030 2 47 10 10 MET HB3 H 0.925 0.030 2 48 10 10 MET HG2 H 0.321 0.030 2 49 10 10 MET HG3 H 1.056 0.030 2 50 10 10 MET HE H 0.888 0.030 1 51 10 10 MET C C 172.328 0.300 1 52 10 10 MET CA C 54.246 0.300 1 53 10 10 MET CB C 33.776 0.300 1 54 10 10 MET CG C 31.724 0.300 1 55 10 10 MET CE C 16.522 0.300 1 56 10 10 MET N N 121.300 0.300 1 57 11 11 SER H H 7.485 0.030 1 58 11 11 SER HA H 5.542 0.030 1 59 11 11 SER HB2 H 3.825 0.030 2 60 11 11 SER HB3 H 3.534 0.030 2 61 11 11 SER C C 172.643 0.300 1 62 11 11 SER CA C 56.301 0.300 1 63 11 11 SER CB C 66.541 0.300 1 64 11 11 SER N N 115.558 0.300 1 65 12 12 GLY H H 7.714 0.030 1 66 12 12 GLY HA2 H 4.342 0.030 2 67 12 12 GLY HA3 H 3.085 0.030 2 68 12 12 GLY C C 171.468 0.300 1 69 12 12 GLY CA C 45.292 0.300 1 70 12 12 GLY N N 107.647 0.300 1 71 13 13 TYR H H 8.734 0.030 1 72 13 13 TYR HA H 5.444 0.030 1 73 13 13 TYR HB2 H 2.947 0.030 2 74 13 13 TYR HB3 H 2.270 0.030 2 75 13 13 TYR HD1 H 7.041 0.030 1 76 13 13 TYR HD2 H 7.041 0.030 1 77 13 13 TYR HE1 H 6.918 0.030 1 78 13 13 TYR HE2 H 6.918 0.030 1 79 13 13 TYR C C 178.168 0.300 1 80 13 13 TYR CA C 58.983 0.300 1 81 13 13 TYR CB C 40.725 0.300 1 82 13 13 TYR CD1 C 133.500 0.300 1 83 13 13 TYR CD2 C 133.500 0.300 1 84 13 13 TYR CE1 C 119.025 0.300 1 85 13 13 TYR CE2 C 119.025 0.300 1 86 13 13 TYR N N 117.439 0.300 1 87 14 14 LEU H H 9.059 0.030 1 88 14 14 LEU HA H 4.718 0.030 1 89 14 14 LEU HB2 H 1.751 0.030 2 90 14 14 LEU HB3 H 1.176 0.030 2 91 14 14 LEU HG H 0.755 0.030 1 92 14 14 LEU HD1 H -1.017 0.030 1 93 14 14 LEU HD2 H 0.319 0.030 1 94 14 14 LEU C C 176.593 0.300 1 95 14 14 LEU CA C 54.378 0.300 1 96 14 14 LEU CB C 47.300 0.300 1 97 14 14 LEU CG C 26.665 0.300 1 98 14 14 LEU CD1 C 23.456 0.300 2 99 14 14 LEU CD2 C 24.016 0.300 2 100 14 14 LEU N N 119.570 0.300 1 101 15 15 TYR H H 8.600 0.030 1 102 15 15 TYR HA H 5.505 0.030 1 103 15 15 TYR HB2 H 2.847 0.030 2 104 15 15 TYR HB3 H 2.666 0.030 2 105 15 15 TYR HD1 H 6.955 0.030 1 106 15 15 TYR HD2 H 6.955 0.030 1 107 15 15 TYR HE1 H 6.747 0.030 1 108 15 15 TYR HE2 H 6.747 0.030 1 109 15 15 TYR C C 175.260 0.300 1 110 15 15 TYR CA C 58.065 0.300 1 111 15 15 TYR CB C 39.574 0.300 1 112 15 15 TYR CD1 C 132.999 0.300 1 113 15 15 TYR CD2 C 132.999 0.300 1 114 15 15 TYR CE1 C 118.440 0.300 1 115 15 15 TYR CE2 C 118.440 0.300 1 116 15 15 TYR N N 117.928 0.300 1 117 16 16 ARG H H 9.692 0.030 1 118 16 16 ARG HA H 5.526 0.030 1 119 16 16 ARG HB2 H 1.782 0.030 2 120 16 16 ARG HB3 H 1.548 0.030 2 121 16 16 ARG HG2 H 0.858 0.030 2 122 16 16 ARG HG3 H 0.522 0.030 2 123 16 16 ARG HD2 H 2.458 0.030 2 124 16 16 ARG HD3 H 1.425 0.030 2 125 16 16 ARG HE H 7.010 0.030 1 126 16 16 ARG C C 175.720 0.300 1 127 16 16 ARG CA C 54.254 0.300 1 128 16 16 ARG CB C 35.052 0.300 1 129 16 16 ARG CG C 25.969 0.300 1 130 16 16 ARG CD C 42.288 0.300 1 131 16 16 ARG N N 123.392 0.300 1 132 16 16 ARG NE N 82.680 0.300 1 133 17 17 SER H H 9.371 0.030 1 134 17 17 SER HA H 4.773 0.030 1 135 17 17 SER HB2 H 2.574 0.030 2 136 17 17 SER HB3 H 2.132 0.030 2 137 17 17 SER C C 173.964 0.300 1 138 17 17 SER CA C 55.631 0.300 1 139 17 17 SER CB C 65.104 0.300 1 140 17 17 SER N N 125.422 0.300 1 141 18 18 LYS H H 8.606 0.030 1 142 18 18 LYS HA H 4.319 0.030 1 143 18 18 LYS HB2 H 1.888 0.030 2 144 18 18 LYS HB3 H 1.461 0.030 2 145 18 18 LYS HG2 H 1.464 0.030 2 146 18 18 LYS HG3 H 1.352 0.030 2 147 18 18 LYS HD2 H 1.584 0.030 1 148 18 18 LYS HD3 H 1.584 0.030 1 149 18 18 LYS HE2 H 2.845 0.030 1 150 18 18 LYS HE3 H 2.845 0.030 1 151 18 18 LYS C C 175.563 0.300 1 152 18 18 LYS CA C 56.089 0.300 1 153 18 18 LYS CB C 32.174 0.300 1 154 18 18 LYS CG C 25.450 0.300 1 155 18 18 LYS CD C 28.522 0.300 1 156 18 18 LYS CE C 41.959 0.300 1 157 18 18 LYS N N 122.887 0.300 1 158 19 19 GLY H H 7.676 0.030 1 159 19 19 GLY HA2 H 4.074 0.030 2 160 19 19 GLY HA3 H 3.413 0.030 2 161 19 19 GLY C C 172.474 0.300 1 162 19 19 GLY CA C 44.605 0.300 1 163 19 19 GLY N N 105.237 0.300 1 164 20 20 SER H H 8.486 0.030 1 165 20 20 SER HA H 4.007 0.030 1 166 20 20 SER HB2 H 3.773 0.030 1 167 20 20 SER HB3 H 3.773 0.030 1 168 20 20 SER C C 175.139 0.300 1 169 20 20 SER CA C 60.024 0.300 1 170 20 20 SER CB C 62.884 0.300 1 171 20 20 SER N N 115.028 0.300 1 172 21 21 LYS H H 8.596 0.030 1 173 21 21 LYS HA H 3.998 0.030 1 174 21 21 LYS HB2 H 1.942 0.030 2 175 21 21 LYS HB3 H 1.822 0.030 2 176 21 21 LYS HG2 H 1.356 0.030 2 177 21 21 LYS HG3 H 1.289 0.030 2 178 21 21 LYS HD2 H 1.615 0.030 2 179 21 21 LYS HE2 H 2.928 0.030 1 180 21 21 LYS HE3 H 2.928 0.030 1 181 21 21 LYS C C 175.757 0.300 1 182 21 21 LYS CA C 56.866 0.300 1 183 21 21 LYS CB C 30.297 0.300 1 184 21 21 LYS CG C 25.185 0.300 1 185 21 21 LYS CD C 28.885 0.300 1 186 21 21 LYS CE C 42.123 0.300 1 187 21 21 LYS N N 118.463 0.300 1 188 22 22 LYS H H 7.430 0.030 1 189 22 22 LYS HA H 4.543 0.030 1 190 22 22 LYS HB2 H 1.831 0.030 2 191 22 22 LYS HB3 H 1.533 0.030 2 192 22 22 LYS HG2 H 1.142 0.030 1 193 22 22 LYS HG3 H 1.142 0.030 1 194 22 22 LYS HD2 H 1.354 0.030 2 195 22 22 LYS HD3 H 1.554 0.030 2 196 22 22 LYS HE2 H 2.854 0.030 1 197 22 22 LYS HE3 H 2.854 0.030 1 198 22 22 LYS C C 174.606 0.300 1 199 22 22 LYS CA C 53.390 0.300 1 200 22 22 LYS CB C 31.581 0.300 1 201 22 22 LYS CG C 24.845 0.300 1 202 22 22 LYS CD C 28.420 0.300 1 203 22 22 LYS N N 120.139 0.300 1 204 23 23 PRO HA H 4.302 0.030 1 205 23 23 PRO HB2 H 2.353 0.030 2 206 23 23 PRO HB3 H 1.831 0.030 2 207 23 23 PRO HG2 H 2.001 0.030 1 208 23 23 PRO HG3 H 2.001 0.030 1 209 23 23 PRO HD2 H 3.718 0.030 2 210 23 23 PRO HD3 H 3.546 0.030 2 211 23 23 PRO C C 176.520 0.300 1 212 23 23 PRO CA C 63.164 0.300 1 213 23 23 PRO CB C 32.667 0.300 1 214 23 23 PRO CG C 27.652 0.300 1 215 23 23 PRO CD C 50.674 0.300 1 216 24 24 TRP H H 8.480 0.030 1 217 24 24 TRP HA H 4.758 0.030 1 218 24 24 TRP HB2 H 3.144 0.030 1 219 24 24 TRP HB3 H 3.144 0.030 1 220 24 24 TRP HD1 H 7.291 0.030 1 221 24 24 TRP HE1 H 10.052 0.030 1 222 24 24 TRP HE3 H 7.145 0.030 1 223 24 24 TRP HZ2 H 7.383 0.030 1 224 24 24 TRP HZ3 H 6.718 0.030 1 225 24 24 TRP HH2 H 6.814 0.030 1 226 24 24 TRP C C 177.501 0.300 1 227 24 24 TRP CA C 56.425 0.300 1 228 24 24 TRP CB C 31.640 0.300 1 229 24 24 TRP CD1 C 128.767 0.300 1 230 24 24 TRP CE3 C 120.255 0.300 1 231 24 24 TRP CZ2 C 114.392 0.300 1 232 24 24 TRP CZ3 C 122.449 0.300 1 233 24 24 TRP CH2 C 123.995 0.300 1 234 24 24 TRP N N 120.476 0.300 1 235 24 24 TRP NE1 N 129.807 0.300 1 236 25 25 LYS H H 9.196 0.030 1 237 25 25 LYS HA H 4.883 0.030 1 238 25 25 LYS HB2 H 1.864 0.030 1 239 25 25 LYS HB3 H 1.864 0.030 1 240 25 25 LYS HG2 H 1.594 0.030 2 241 25 25 LYS HG3 H 1.486 0.030 2 242 25 25 LYS HD2 H 1.782 0.030 1 243 25 25 LYS HD3 H 1.782 0.030 1 244 25 25 LYS HE2 H 3.011 0.030 1 245 25 25 LYS HE3 H 3.011 0.030 1 246 25 25 LYS C C 174.909 0.300 1 247 25 25 LYS CA C 55.031 0.300 1 248 25 25 LYS CB C 35.463 0.300 1 249 25 25 LYS CG C 25.265 0.300 1 250 25 25 LYS CD C 29.050 0.300 1 251 25 25 LYS CE C 42.288 0.300 1 252 25 25 LYS N N 122.500 0.300 1 253 26 26 HIS H H 9.266 0.030 1 254 26 26 HIS HA H 4.869 0.030 1 255 26 26 HIS HB2 H 3.373 0.030 2 256 26 26 HIS HB3 H 2.781 0.030 2 257 26 26 HIS HD2 H 5.390 0.030 1 258 26 26 HIS HE1 H 7.539 0.030 1 259 26 26 HIS C C 173.528 0.300 1 260 26 26 HIS CA C 55.790 0.300 1 261 26 26 HIS CB C 29.603 0.300 1 262 26 26 HIS CD2 C 118.451 0.300 1 263 26 26 HIS CE1 C 135.859 0.300 1 264 26 26 HIS N N 126.462 0.300 1 265 27 27 LEU H H 8.552 0.030 1 266 27 27 LEU HA H 4.800 0.030 1 267 27 27 LEU HB2 H 1.565 0.030 2 268 27 27 LEU HB3 H 1.137 0.030 2 269 27 27 LEU HG H 1.392 0.030 1 270 27 27 LEU HD1 H 0.724 0.030 1 271 27 27 LEU HD2 H 0.888 0.030 1 272 27 27 LEU C C 172.171 0.300 1 273 27 27 LEU CA C 53.849 0.300 1 274 27 27 LEU CB C 46.316 0.300 1 275 27 27 LEU CG C 26.871 0.300 1 276 27 27 LEU CD1 C 26.200 0.300 2 277 27 27 LEU CD2 C 23.409 0.300 2 278 27 27 LEU N N 129.494 0.300 1 279 28 28 TRP H H 8.006 0.030 1 280 28 28 TRP HA H 4.371 0.030 1 281 28 28 TRP HB2 H 2.560 0.030 2 282 28 28 TRP HB3 H 2.228 0.030 2 283 28 28 TRP HD1 H 6.285 0.030 1 284 28 28 TRP HE1 H 9.471 0.030 1 285 28 28 TRP HE3 H 5.441 0.030 1 286 28 28 TRP HZ2 H 7.171 0.030 1 287 28 28 TRP HZ3 H 6.772 0.030 1 288 28 28 TRP HH2 H 7.038 0.030 1 289 28 28 TRP C C 172.934 0.300 1 290 28 28 TRP CA C 56.019 0.300 1 291 28 28 TRP CB C 30.365 0.300 1 292 28 28 TRP CD1 C 126.544 0.300 1 293 28 28 TRP CE3 C 120.462 0.300 1 294 28 28 TRP CZ2 C 113.872 0.300 1 295 28 28 TRP CZ3 C 122.159 0.300 1 296 28 28 TRP CH2 C 124.028 0.300 1 297 28 28 TRP N N 120.891 0.300 1 298 28 28 TRP NE1 N 128.732 0.300 1 299 29 29 PHE H H 8.226 0.030 1 300 29 29 PHE HA H 5.602 0.030 1 301 29 29 PHE HB2 H 2.698 0.030 2 302 29 29 PHE HB3 H 2.544 0.030 2 303 29 29 PHE HD1 H 7.041 0.030 1 304 29 29 PHE HD2 H 7.041 0.030 1 305 29 29 PHE HE1 H 7.393 0.030 1 306 29 29 PHE HE2 H 7.393 0.030 1 307 29 29 PHE HZ H 6.869 0.030 1 308 29 29 PHE C C 174.715 0.300 1 309 29 29 PHE CA C 56.654 0.300 1 310 29 29 PHE CB C 43.151 0.300 1 311 29 29 PHE CD1 C 133.266 0.300 1 312 29 29 PHE CD2 C 133.266 0.300 1 313 29 29 PHE CE1 C 132.075 0.300 1 314 29 29 PHE CE2 C 132.075 0.300 1 315 29 29 PHE CZ C 128.599 0.300 1 316 29 29 PHE N N 124.377 0.300 1 317 30 30 VAL H H 8.826 0.030 1 318 30 30 VAL HA H 4.800 0.030 1 319 30 30 VAL HB H 2.159 0.030 1 320 30 30 VAL HG1 H 0.942 0.030 1 321 30 30 VAL HG2 H 0.985 0.030 1 322 30 30 VAL C C 176.253 0.300 1 323 30 30 VAL CA C 60.852 0.300 1 324 30 30 VAL CB C 37.806 0.300 1 325 30 30 VAL CG1 C 22.248 0.300 2 326 30 30 VAL CG2 C 21.403 0.300 2 327 30 30 VAL N N 117.714 0.300 1 328 31 31 ILE H H 8.754 0.030 1 329 31 31 ILE HA H 5.174 0.030 1 330 31 31 ILE HB H 1.334 0.030 1 331 31 31 ILE HG12 H 0.408 0.030 2 332 31 31 ILE HG13 H 1.464 0.030 2 333 31 31 ILE HG2 H 0.554 0.030 1 334 31 31 ILE HD1 H -0.135 0.030 1 335 31 31 ILE C C 175.248 0.300 1 336 31 31 ILE CA C 60.605 0.300 1 337 31 31 ILE CB C 39.616 0.300 1 338 31 31 ILE CG1 C 29.398 0.300 1 339 31 31 ILE CG2 C 16.881 0.300 1 340 31 31 ILE CD1 C 13.331 0.300 1 341 31 31 ILE N N 125.739 0.300 1 342 32 32 LYS H H 8.907 0.030 1 343 32 32 LYS HA H 4.753 0.030 1 344 32 32 LYS HB2 H 1.862 0.030 2 345 32 32 LYS HB3 H 1.678 0.030 2 346 32 32 LYS HG2 H 1.391 0.030 2 347 32 32 LYS HG3 H 1.313 0.030 2 348 32 32 LYS HD2 H 1.535 0.030 1 349 32 32 LYS HD3 H 1.535 0.030 1 350 32 32 LYS HE2 H 2.772 0.030 1 351 32 32 LYS HE3 H 2.772 0.030 1 352 32 32 LYS C C 175.854 0.300 1 353 32 32 LYS CA C 55.578 0.300 1 354 32 32 LYS CB C 35.874 0.300 1 355 32 32 LYS CG C 24.710 0.300 1 356 32 32 LYS CD C 29.693 0.300 1 357 32 32 LYS CE C 42.041 0.300 1 358 32 32 LYS N N 126.538 0.300 1 359 33 33 ASN H H 9.733 0.030 1 360 33 33 ASN HA H 4.414 0.030 1 361 33 33 ASN HB2 H 2.759 0.030 2 362 33 33 ASN HB3 H 3.056 0.030 2 363 33 33 ASN HD21 H 7.625 0.030 2 364 33 33 ASN HD22 H 6.967 0.030 2 365 33 33 ASN C C 173.782 0.300 1 366 33 33 ASN CA C 54.343 0.300 1 367 33 33 ASN CB C 37.622 0.300 1 368 33 33 ASN N N 127.195 0.300 1 369 33 33 ASN ND2 N 112.316 0.300 1 370 34 34 LYS H H 8.964 0.030 1 371 34 34 LYS HA H 3.542 0.030 1 372 34 34 LYS HB2 H 2.380 0.030 2 373 34 34 LYS HB3 H 2.230 0.030 2 374 34 34 LYS HG2 H 1.332 0.030 2 375 34 34 LYS HG3 H 1.289 0.030 2 376 34 34 LYS HD2 H 1.795 0.030 2 377 34 34 LYS HD3 H 1.713 0.030 2 378 34 34 LYS HE2 H 2.984 0.030 2 379 34 34 LYS HE3 H 3.064 0.030 2 380 34 34 LYS C C 174.388 0.300 1 381 34 34 LYS CA C 58.159 0.300 1 382 34 34 LYS CB C 28.873 0.300 1 383 34 34 LYS CG C 25.925 0.300 1 384 34 34 LYS CD C 29.132 0.300 1 385 34 34 LYS CE C 43.028 0.300 1 386 34 34 LYS N N 106.468 0.300 1 387 35 35 VAL H H 7.806 0.030 1 388 35 35 VAL HA H 4.120 0.030 1 389 35 35 VAL HB H 2.021 0.030 1 390 35 35 VAL HG1 H 0.885 0.030 1 391 35 35 VAL HG2 H -0.035 0.030 1 392 35 35 VAL C C 172.850 0.300 1 393 35 35 VAL CA C 61.382 0.300 1 394 35 35 VAL CB C 34.580 0.300 1 395 35 35 VAL CG1 C 21.780 0.300 2 396 35 35 VAL CG2 C 20.939 0.300 2 397 35 35 VAL N N 120.826 0.300 1 398 36 36 LEU H H 8.002 0.030 1 399 36 36 LEU HA H 4.914 0.030 1 400 36 36 LEU HB2 H 1.938 0.030 2 401 36 36 LEU HB3 H 1.067 0.030 2 402 36 36 LEU HG H 1.524 0.030 1 403 36 36 LEU HD1 H 0.855 0.030 1 404 36 36 LEU HD2 H 0.826 0.030 1 405 36 36 LEU C C 175.527 0.300 1 406 36 36 LEU CA C 53.249 0.300 1 407 36 36 LEU CB C 45.166 0.300 1 408 36 36 LEU CG C 26.980 0.300 1 409 36 36 LEU CD1 C 25.925 0.300 2 410 36 36 LEU CD2 C 23.916 0.300 2 411 36 36 LEU N N 125.210 0.300 1 412 37 37 TYR H H 10.317 0.030 1 413 37 37 TYR HA H 4.924 0.030 1 414 37 37 TYR HB2 H 3.192 0.030 2 415 37 37 TYR HB3 H 2.739 0.030 2 416 37 37 TYR HD1 H 7.041 0.030 1 417 37 37 TYR HD2 H 7.041 0.030 1 418 37 37 TYR HE1 H 6.877 0.030 1 419 37 37 TYR HE2 H 6.877 0.030 1 420 37 37 TYR C C 174.291 0.300 1 421 37 37 TYR CA C 57.925 0.300 1 422 37 37 TYR CB C 42.205 0.300 1 423 37 37 TYR CD1 C 133.501 0.300 1 424 37 37 TYR CD2 C 133.501 0.300 1 425 37 37 TYR CE1 C 118.141 0.300 1 426 37 37 TYR CE2 C 118.141 0.300 1 427 37 37 TYR N N 131.581 0.300 1 428 38 38 THR H H 8.149 0.030 1 429 38 38 THR HA H 4.480 0.030 1 430 38 38 THR HB H 3.667 0.030 1 431 38 38 THR HG2 H 0.824 0.030 1 432 38 38 THR C C 172.874 0.300 1 433 38 38 THR CA C 62.265 0.300 1 434 38 38 THR CB C 70.326 0.300 1 435 38 38 THR CG2 C 22.540 0.300 1 436 38 38 THR N N 118.466 0.300 1 437 39 39 TYR H H 9.912 0.030 1 438 39 39 TYR HA H 4.855 0.030 1 439 39 39 TYR HB2 H 3.279 0.030 2 440 39 39 TYR HB3 H 2.928 0.030 2 441 39 39 TYR HD1 H 7.041 0.030 1 442 39 39 TYR HD2 H 7.041 0.030 1 443 39 39 TYR HE1 H 6.483 0.030 1 444 39 39 TYR HE2 H 6.483 0.030 1 445 39 39 TYR C C 174.146 0.300 1 446 39 39 TYR CA C 56.089 0.300 1 447 39 39 TYR CB C 41.753 0.300 1 448 39 39 TYR CD1 C 133.959 0.300 1 449 39 39 TYR CD2 C 133.959 0.300 1 450 39 39 TYR CE1 C 118.124 0.300 1 451 39 39 TYR CE2 C 118.124 0.300 1 452 39 39 TYR N N 125.507 0.300 1 453 40 40 ALA H H 8.885 0.030 1 454 40 40 ALA HA H 4.288 0.030 1 455 40 40 ALA HB H 1.579 0.030 1 456 40 40 ALA C C 177.840 0.300 1 457 40 40 ALA CA C 54.519 0.300 1 458 40 40 ALA CB C 18.402 0.300 1 459 40 40 ALA N N 123.059 0.300 1 460 41 41 ALA H H 7.753 0.030 1 461 41 41 ALA HA H 4.551 0.030 1 462 41 41 ALA HB H 1.408 0.030 1 463 41 41 ALA C C 176.350 0.300 1 464 41 41 ALA CA C 50.956 0.300 1 465 41 41 ALA CB C 21.732 0.300 1 466 41 41 ALA N N 116.658 0.300 1 467 42 42 SER H H 7.375 0.030 1 468 42 42 SER HA H 1.661 0.030 1 469 42 42 SER HB2 H 1.793 0.030 2 470 42 42 SER HB3 H 2.063 0.030 2 471 42 42 SER C C 175.236 0.300 1 472 42 42 SER CA C 60.059 0.300 1 473 42 42 SER CB C 61.117 0.300 1 474 42 42 SER N N 113.645 0.300 1 475 43 43 GLU H H 7.661 0.030 1 476 43 43 GLU HA H 3.929 0.030 1 477 43 43 GLU HB2 H 1.972 0.030 2 478 43 43 GLU HB3 H 1.789 0.030 2 479 43 43 GLU HG2 H 2.030 0.030 1 480 43 43 GLU HG3 H 2.030 0.030 1 481 43 43 GLU C C 176.302 0.300 1 482 43 43 GLU CA C 56.354 0.300 1 483 43 43 GLU CB C 28.515 0.300 1 484 43 43 GLU CG C 36.021 0.300 1 485 43 43 GLU N N 117.456 0.300 1 486 44 44 ASP H H 7.104 0.030 1 487 44 44 ASP HA H 4.413 0.030 1 488 44 44 ASP HB2 H 2.905 0.030 1 489 44 44 ASP HB3 H 2.905 0.030 1 490 44 44 ASP C C 176.047 0.300 1 491 44 44 ASP CA C 55.208 0.300 1 492 44 44 ASP CB C 41.771 0.300 1 493 44 44 ASP N N 121.684 0.300 1 494 45 45 VAL H H 8.081 0.030 1 495 45 45 VAL HA H 4.109 0.030 1 496 45 45 VAL HB H 2.159 0.030 1 497 45 45 VAL HG1 H 0.929 0.030 1 498 45 45 VAL HG2 H 0.938 0.030 1 499 45 45 VAL C C 176.229 0.300 1 500 45 45 VAL CA C 62.687 0.300 1 501 45 45 VAL CB C 32.421 0.300 1 502 45 45 VAL CG1 C 21.074 0.300 2 503 45 45 VAL CG2 C 19.915 0.300 2 504 45 45 VAL N N 115.147 0.300 1 505 46 46 ALA H H 8.075 0.030 1 506 46 46 ALA HA H 4.717 0.030 1 507 46 46 ALA HB H 1.359 0.030 1 508 46 46 ALA C C 175.624 0.300 1 509 46 46 ALA CA C 50.850 0.300 1 510 46 46 ALA CB C 20.313 0.300 1 511 46 46 ALA N N 124.596 0.300 1 512 47 47 ALA H H 8.484 0.030 1 513 47 47 ALA HA H 3.556 0.030 1 514 47 47 ALA HB H 1.012 0.030 1 515 47 47 ALA C C 178.531 0.300 1 516 47 47 ALA CA C 52.173 0.300 1 517 47 47 ALA CB C 17.868 0.300 1 518 47 47 ALA N N 125.481 0.300 1 519 48 48 LEU H H 9.221 0.030 1 520 48 48 LEU HA H 4.164 0.030 1 521 48 48 LEU HB2 H 1.533 0.030 2 522 48 48 LEU HB3 H 1.454 0.030 2 523 48 48 LEU HG H 1.843 0.030 1 524 48 48 LEU HD1 H 0.824 0.030 1 525 48 48 LEU HD2 H 0.899 0.030 1 526 48 48 LEU C C 178.022 0.300 1 527 48 48 LEU CA C 56.531 0.300 1 528 48 48 LEU CB C 43.809 0.300 1 529 48 48 LEU CG C 26.619 0.300 1 530 48 48 LEU CD1 C 25.496 0.300 2 531 48 48 LEU CD2 C 22.945 0.300 2 532 48 48 LEU N N 122.867 0.300 1 533 49 49 GLU H H 7.436 0.030 1 534 49 49 GLU HA H 4.595 0.030 1 535 49 49 GLU HB2 H 2.179 0.030 2 536 49 49 GLU HB3 H 1.884 0.030 2 537 49 49 GLU HG2 H 2.236 0.030 2 538 49 49 GLU HG3 H 2.040 0.030 2 539 49 49 GLU C C 173.806 0.300 1 540 49 49 GLU CA C 54.537 0.300 1 541 49 49 GLU CB C 33.942 0.300 1 542 49 49 GLU CG C 35.513 0.300 1 543 49 49 GLU N N 112.913 0.300 1 544 50 50 SER H H 8.339 0.030 1 545 50 50 SER HA H 4.952 0.030 1 546 50 50 SER HB2 H 3.583 0.030 2 547 50 50 SER HB3 H 3.238 0.030 2 548 50 50 SER C C 173.068 0.300 1 549 50 50 SER CA C 57.025 0.300 1 550 50 50 SER CB C 66.050 0.300 1 551 50 50 SER N N 113.802 0.300 1 552 51 51 GLN H H 8.649 0.030 1 553 51 51 GLN HA H 4.784 0.030 1 554 51 51 GLN HB2 H 1.877 0.030 2 555 51 51 GLN HB3 H 2.079 0.030 2 556 51 51 GLN HG2 H 1.666 0.030 2 557 51 51 GLN HG3 H 1.790 0.030 2 558 51 51 GLN HE21 H 7.772 0.030 2 559 51 51 GLN HE22 H 7.105 0.030 2 560 51 51 GLN C C 172.135 0.300 1 561 51 51 GLN CA C 51.520 0.300 1 562 51 51 GLN CB C 32.667 0.300 1 563 51 51 GLN CG C 33.350 0.300 1 564 51 51 GLN N N 121.037 0.300 1 565 51 51 GLN NE2 N 116.042 0.300 1 566 52 52 PRO HA H 4.548 0.030 1 567 52 52 PRO HB2 H 2.519 0.030 2 568 52 52 PRO HB3 H 2.048 0.030 2 569 52 52 PRO HG2 H 2.153 0.030 2 570 52 52 PRO HG3 H 1.953 0.030 2 571 52 52 PRO HD2 H 3.755 0.030 2 572 52 52 PRO HD3 H 3.686 0.030 2 573 52 52 PRO C C 178.119 0.300 1 574 52 52 PRO CA C 63.699 0.300 1 575 52 52 PRO CB C 31.945 0.300 1 576 52 52 PRO CG C 27.734 0.300 1 577 52 52 PRO CD C 51.362 0.300 1 578 53 53 LEU H H 8.297 0.030 1 579 53 53 LEU HA H 4.071 0.030 1 580 53 53 LEU HB2 H 1.565 0.030 2 581 53 53 LEU HB3 H 1.367 0.030 2 582 53 53 LEU HG H 1.549 0.030 1 583 53 53 LEU HD1 H 0.639 0.030 1 584 53 53 LEU HD2 H 0.585 0.030 1 585 53 53 LEU C C 176.520 0.300 1 586 53 53 LEU CA C 55.337 0.300 1 587 53 53 LEU CB C 42.557 0.300 1 588 53 53 LEU CG C 26.435 0.300 1 589 53 53 LEU CD1 C 26.419 0.300 2 590 53 53 LEU CD2 C 22.400 0.300 2 591 53 53 LEU N N 124.314 0.300 1 592 54 54 LEU H H 7.580 0.030 1 593 54 54 LEU HA H 4.205 0.030 1 594 54 54 LEU HB2 H 1.714 0.030 2 595 54 54 LEU HB3 H 1.618 0.030 2 596 54 54 LEU HG H 1.643 0.030 1 597 54 54 LEU HD1 H 0.893 0.030 1 598 54 54 LEU HD2 H 0.943 0.030 1 599 54 54 LEU C C 179.221 0.300 1 600 54 54 LEU CA C 57.236 0.300 1 601 54 54 LEU CB C 41.548 0.300 1 602 54 54 LEU CG C 26.912 0.300 1 603 54 54 LEU CD1 C 25.038 0.300 2 604 54 54 LEU CD2 C 24.207 0.300 2 605 54 54 LEU N N 121.299 0.300 1 606 55 55 GLY H H 9.099 0.030 1 607 55 55 GLY HA2 H 4.300 0.030 2 608 55 55 GLY HA3 H 3.874 0.030 2 609 55 55 GLY C C 175.284 0.300 1 610 55 55 GLY CA C 45.646 0.300 1 611 55 55 GLY N N 113.279 0.300 1 612 56 56 PHE H H 8.225 0.030 1 613 56 56 PHE HA H 5.159 0.030 1 614 56 56 PHE HB2 H 3.379 0.030 2 615 56 56 PHE HB3 H 3.044 0.030 2 616 56 56 PHE HD1 H 6.980 0.030 1 617 56 56 PHE HD2 H 6.980 0.030 1 618 56 56 PHE HE1 H 6.471 0.030 1 619 56 56 PHE HE2 H 6.471 0.030 1 620 56 56 PHE HZ H 6.278 0.030 1 621 56 56 PHE C C 175.297 0.300 1 622 56 56 PHE CA C 58.348 0.300 1 623 56 56 PHE CB C 40.396 0.300 1 624 56 56 PHE CD1 C 131.017 0.300 1 625 56 56 PHE CD2 C 131.017 0.300 1 626 56 56 PHE CE1 C 130.833 0.300 1 627 56 56 PHE CE2 C 130.833 0.300 1 628 56 56 PHE CZ C 129.002 0.300 1 629 56 56 PHE N N 121.776 0.300 1 630 57 57 THR H H 9.155 0.030 1 631 57 57 THR HA H 4.869 0.030 1 632 57 57 THR HB H 4.150 0.030 1 633 57 57 THR HG2 H 1.200 0.030 1 634 57 57 THR C C 172.970 0.300 1 635 57 57 THR CA C 61.205 0.300 1 636 57 57 THR CB C 72.052 0.300 1 637 57 57 THR CG2 C 21.978 0.300 1 638 57 57 THR N N 111.930 0.300 1 639 58 58 VAL H H 8.851 0.030 1 640 58 58 VAL HA H 5.629 0.030 1 641 58 58 VAL HB H 1.869 0.030 1 642 58 58 VAL HG1 H 0.935 0.030 1 643 58 58 VAL HG2 H 0.905 0.030 1 644 58 58 VAL C C 175.006 0.300 1 645 58 58 VAL CA C 59.459 0.300 1 646 58 58 VAL CB C 35.175 0.300 1 647 58 58 VAL CG1 C 20.992 0.300 2 648 58 58 VAL CG2 C 21.896 0.300 2 649 58 58 VAL N N 121.404 0.300 1 650 59 59 THR H H 8.614 0.030 1 651 59 59 THR HA H 4.731 0.030 1 652 59 59 THR HB H 4.038 0.030 1 653 59 59 THR HG2 H 1.146 0.030 1 654 59 59 THR C C 172.704 0.300 1 655 59 59 THR CA C 60.306 0.300 1 656 59 59 THR CB C 71.847 0.300 1 657 59 59 THR CG2 C 21.356 0.300 1 658 59 59 THR N N 119.013 0.300 1 659 60 60 LEU H H 8.699 0.030 1 660 60 60 LEU HA H 4.592 0.030 1 661 60 60 LEU HB2 H 1.691 0.030 2 662 60 60 LEU HB3 H 1.523 0.030 2 663 60 60 LEU HG H 1.595 0.030 1 664 60 60 LEU HD1 H 0.894 0.030 1 665 60 60 LEU HD2 H 0.924 0.030 1 666 60 60 LEU C C 176.871 0.300 1 667 60 60 LEU CA C 55.437 0.300 1 668 60 60 LEU CB C 43.521 0.300 1 669 60 60 LEU CG C 27.241 0.300 1 670 60 60 LEU CD1 C 25.450 0.300 2 671 60 60 LEU CD2 C 24.572 0.300 2 672 60 60 LEU N N 127.402 0.300 1 673 61 61 VAL H H 8.566 0.030 1 674 61 61 VAL HA H 4.124 0.030 1 675 61 61 VAL HB H 1.965 0.030 1 676 61 61 VAL HG1 H 0.825 0.030 1 677 61 61 VAL HG2 H 0.884 0.030 1 678 61 61 VAL C C 175.430 0.300 1 679 61 61 VAL CA C 62.317 0.300 1 680 61 61 VAL CB C 32.626 0.300 1 681 61 61 VAL CG1 C 21.314 0.300 2 682 61 61 VAL CG2 C 21.140 0.300 2 683 61 61 VAL N N 125.501 0.300 1 684 62 62 LYS H H 8.582 0.030 1 685 62 62 LYS HA H 4.383 0.030 1 686 62 62 LYS HB2 H 1.824 0.030 2 687 62 62 LYS HB3 H 1.720 0.030 2 688 62 62 LYS HG2 H 1.423 0.030 1 689 62 62 LYS HG3 H 1.423 0.030 1 690 62 62 LYS HD2 H 1.683 0.030 1 691 62 62 LYS HD3 H 1.683 0.030 1 692 62 62 LYS HE2 H 2.993 0.030 1 693 62 62 LYS HE3 H 2.993 0.030 1 694 62 62 LYS C C 175.866 0.300 1 695 62 62 LYS CA C 56.443 0.300 1 696 62 62 LYS CB C 32.667 0.300 1 697 62 62 LYS CG C 24.774 0.300 1 698 62 62 LYS CD C 29.050 0.300 1 699 62 62 LYS CE C 42.041 0.300 1 700 62 62 LYS N N 127.187 0.300 1 701 63 63 ASP H H 8.285 0.030 1 702 63 63 ASP HA H 4.606 0.030 1 703 63 63 ASP HB2 H 2.743 0.030 2 704 63 63 ASP HB3 H 2.681 0.030 2 705 63 63 ASP C C 176.290 0.300 1 706 63 63 ASP CA C 53.673 0.300 1 707 63 63 ASP CB C 42.205 0.300 1 708 63 63 ASP N N 123.809 0.300 1 709 64 64 GLU H H 8.886 0.030 1 710 64 64 GLU HA H 4.139 0.030 1 711 64 64 GLU HB2 H 2.064 0.030 2 712 64 64 GLU HB3 H 1.964 0.030 2 713 64 64 GLU HG2 H 2.275 0.030 1 714 64 64 GLU HG3 H 2.275 0.030 1 715 64 64 GLU C C 177.017 0.300 1 716 64 64 GLU CA C 58.136 0.300 1 717 64 64 GLU CB C 29.420 0.300 1 718 64 64 GLU CG C 36.121 0.300 1 719 64 64 GLU N N 122.004 0.300 1 720 65 65 ASN H H 8.482 0.030 1 721 65 65 ASN HA H 4.814 0.030 1 722 65 65 ASN HB2 H 2.758 0.030 2 723 65 65 ASN HB3 H 2.899 0.030 2 724 65 65 ASN HD21 H 6.989 0.030 2 725 65 65 ASN HD22 H 7.813 0.030 2 726 65 65 ASN C C 175.272 0.300 1 727 65 65 ASN CA C 53.496 0.300 1 728 65 65 ASN CB C 39.533 0.300 1 729 65 65 ASN N N 116.727 0.300 1 730 65 65 ASN ND2 N 114.153 0.300 1 731 66 66 SER H H 8.029 0.030 1 732 66 66 SER HA H 4.393 0.030 1 733 66 66 SER HB2 H 3.953 0.030 2 734 66 66 SER HB3 H 3.891 0.030 2 735 66 66 SER C C 174.436 0.300 1 736 66 66 SER CA C 59.283 0.300 1 737 66 66 SER CB C 64.118 0.300 1 738 66 66 SER N N 114.784 0.300 1 739 67 67 GLU H H 8.436 0.030 1 740 67 67 GLU HA H 4.302 0.030 1 741 67 67 GLU HB2 H 2.132 0.030 2 742 67 67 GLU HB3 H 1.979 0.030 2 743 67 67 GLU HG2 H 2.255 0.030 2 744 67 67 GLU HG3 H 2.203 0.030 2 745 67 67 GLU C C 176.241 0.300 1 746 67 67 GLU CA C 56.636 0.300 1 747 67 67 GLU CB C 29.625 0.300 1 748 67 67 GLU CG C 36.614 0.300 1 749 67 67 GLU N N 119.563 0.300 1 750 68 68 SER H H 8.349 0.030 1 751 68 68 SER HA H 4.468 0.030 1 752 68 68 SER HB2 H 3.944 0.030 1 753 68 68 SER HB3 H 3.944 0.030 1 754 68 68 SER C C 173.879 0.300 1 755 68 68 SER CA C 58.842 0.300 1 756 68 68 SER CB C 63.172 0.300 1 757 68 68 SER N N 114.621 0.300 1 758 69 69 LYS H H 8.192 0.030 1 759 69 69 LYS HA H 4.897 0.030 1 760 69 69 LYS HB2 H 2.021 0.030 2 761 69 69 LYS HB3 H 1.675 0.030 2 762 69 69 LYS HG2 H 1.143 0.030 2 763 69 69 LYS HG3 H 1.453 0.030 2 764 69 69 LYS HD2 H 1.643 0.030 2 765 69 69 LYS HD3 H 1.574 0.030 2 766 69 69 LYS HE2 H 2.928 0.030 1 767 69 69 LYS HE3 H 2.928 0.030 1 768 69 69 LYS C C 175.393 0.300 1 769 69 69 LYS CA C 56.037 0.300 1 770 69 69 LYS CB C 33.860 0.300 1 771 69 69 LYS CG C 25.267 0.300 1 772 69 69 LYS CD C 29.379 0.300 1 773 69 69 LYS CE C 42.370 0.300 1 774 69 69 LYS N N 120.476 0.300 1 775 70 70 VAL H H 8.337 0.030 1 776 70 70 VAL HA H 5.132 0.030 1 777 70 70 VAL HB H 2.069 0.030 1 778 70 70 VAL HG1 H 0.929 0.030 1 779 70 70 VAL HG2 H 1.005 0.030 1 780 70 70 VAL C C 174.788 0.300 1 781 70 70 VAL CA C 60.694 0.300 1 782 70 70 VAL CB C 34.106 0.300 1 783 70 70 VAL CG1 C 21.314 0.300 2 784 70 70 VAL CG2 C 22.012 0.300 2 785 70 70 VAL N N 119.774 0.300 1 786 71 71 PHE H H 9.111 0.030 1 787 71 71 PHE HA H 5.588 0.030 1 788 71 71 PHE HB2 H 2.853 0.030 1 789 71 71 PHE HB3 H 2.853 0.030 1 790 71 71 PHE HD1 H 6.736 0.030 1 791 71 71 PHE HD2 H 6.736 0.030 1 792 71 71 PHE HE1 H 6.390 0.030 1 793 71 71 PHE HE2 H 6.390 0.030 1 794 71 71 PHE HZ H 6.284 0.030 1 795 71 71 PHE C C 172.365 0.300 1 796 71 71 PHE CA C 54.943 0.300 1 797 71 71 PHE CB C 42.000 0.300 1 798 71 71 PHE CD1 C 132.562 0.300 1 799 71 71 PHE CD2 C 132.562 0.300 1 800 71 71 PHE CE1 C 130.340 0.300 1 801 71 71 PHE CE2 C 130.340 0.300 1 802 71 71 PHE CZ C 130.014 0.300 1 803 71 71 PHE N N 120.754 0.300 1 804 72 72 GLN H H 9.281 0.030 1 805 72 72 GLN HA H 5.162 0.030 1 806 72 72 GLN HB2 H 2.109 0.030 2 807 72 72 GLN HB3 H 1.824 0.030 2 808 72 72 GLN HG2 H 2.182 0.030 1 809 72 72 GLN HG3 H 2.182 0.030 1 810 72 72 GLN HE21 H 6.614 0.030 1 811 72 72 GLN HE22 H 6.614 0.030 1 812 72 72 GLN C C 173.928 0.300 1 813 72 72 GLN CA C 53.549 0.300 1 814 72 72 GLN CB C 31.927 0.300 1 815 72 72 GLN CG C 33.243 0.300 1 816 72 72 GLN N N 116.817 0.300 1 817 72 72 GLN NE2 N 108.348 0.300 1 818 73 73 LEU H H 8.826 0.030 1 819 73 73 LEU HA H 5.387 0.030 1 820 73 73 LEU HB2 H 2.041 0.030 2 821 73 73 LEU HB3 H 1.490 0.030 2 822 73 73 LEU HG H 1.665 0.030 1 823 73 73 LEU HD1 H 0.797 0.030 1 824 73 73 LEU HD2 H 0.689 0.030 1 825 73 73 LEU C C 175.405 0.300 1 826 73 73 LEU CA C 53.425 0.300 1 827 73 73 LEU CB C 46.029 0.300 1 828 73 73 LEU CG C 27.981 0.300 1 829 73 73 LEU CD1 C 24.573 0.300 2 830 73 73 LEU CD2 C 25.038 0.300 2 831 73 73 LEU N N 122.040 0.300 1 832 74 74 LEU H H 9.706 0.030 1 833 74 74 LEU HA H 5.284 0.030 1 834 74 74 LEU HB2 H 1.786 0.030 2 835 74 74 LEU HB3 H 1.131 0.030 2 836 74 74 LEU HG H 1.369 0.030 1 837 74 74 LEU HD1 H 0.795 0.030 1 838 74 74 LEU HD2 H 0.613 0.030 1 839 74 74 LEU C C 175.599 0.300 1 840 74 74 LEU CA C 54.449 0.300 1 841 74 74 LEU CB C 45.312 0.300 1 842 74 74 LEU CG C 28.310 0.300 1 843 74 74 LEU CD1 C 26.202 0.300 2 844 74 74 LEU CD2 C 25.728 0.300 2 845 74 74 LEU N N 126.558 0.300 1 846 75 75 HIS H H 8.864 0.030 1 847 75 75 HIS HA H 4.496 0.030 1 848 75 75 HIS HB2 H 2.655 0.030 2 849 75 75 HIS HB3 H 1.897 0.030 2 850 75 75 HIS HD2 H 6.293 0.030 1 851 75 75 HIS HE1 H 7.921 0.030 1 852 75 75 HIS C C 174.655 0.300 1 853 75 75 HIS CA C 55.419 0.300 1 854 75 75 HIS CB C 31.969 0.300 1 855 75 75 HIS CD2 C 120.453 0.300 1 856 75 75 HIS CE1 C 137.131 0.300 1 857 75 75 HIS N N 118.546 0.300 1 858 76 76 LYS H H 9.147 0.030 1 859 76 76 LYS HA H 3.625 0.030 1 860 76 76 LYS HB2 H 1.758 0.030 2 861 76 76 LYS HB3 H 1.513 0.030 2 862 76 76 LYS HG2 H 0.586 0.030 2 863 76 76 LYS HG3 H 0.831 0.030 2 864 76 76 LYS HD2 H 1.434 0.030 1 865 76 76 LYS HD3 H 1.434 0.030 1 866 76 76 LYS HE2 H 2.804 0.030 1 867 76 76 LYS HE3 H 2.804 0.030 1 868 76 76 LYS C C 176.460 0.300 1 869 76 76 LYS CA C 56.919 0.300 1 870 76 76 LYS CB C 29.584 0.300 1 871 76 76 LYS CG C 24.622 0.300 1 872 76 76 LYS CD C 29.057 0.300 1 873 76 76 LYS CE C 42.041 0.300 1 874 76 76 LYS N N 127.125 0.300 1 875 77 77 GLY H H 8.436 0.030 1 876 77 77 GLY HA2 H 4.081 0.030 2 877 77 77 GLY HA3 H 3.459 0.030 2 878 77 77 GLY C C 173.382 0.300 1 879 77 77 GLY CA C 45.381 0.300 1 880 77 77 GLY N N 103.158 0.300 1 881 78 78 MET H H 7.766 0.030 1 882 78 78 MET HA H 4.684 0.030 1 883 78 78 MET HB2 H 2.122 0.030 2 884 78 78 MET HB3 H 2.080 0.030 2 885 78 78 MET HG2 H 2.533 0.030 2 886 78 78 MET HG3 H 2.459 0.030 2 887 78 78 MET HE H 2.077 0.030 1 888 78 78 MET C C 175.842 0.300 1 889 78 78 MET CA C 53.531 0.300 1 890 78 78 MET CB C 34.312 0.300 1 891 78 78 MET CG C 31.787 0.300 1 892 78 78 MET CE C 17.063 0.300 1 893 78 78 MET N N 120.129 0.300 1 894 79 79 VAL H H 8.800 0.030 1 895 79 79 VAL HA H 3.644 0.030 1 896 79 79 VAL HB H 1.904 0.030 1 897 79 79 VAL HG1 H 0.597 0.030 1 898 79 79 VAL HG2 H 0.855 0.030 1 899 79 79 VAL C C 175.451 0.300 1 900 79 79 VAL CA C 65.087 0.300 1 901 79 79 VAL CB C 31.698 0.300 1 902 79 79 VAL CG1 C 21.262 0.300 2 903 79 79 VAL CG2 C 21.932 0.300 2 904 79 79 VAL N N 124.987 0.300 1 905 80 80 PHE H H 9.492 0.030 1 906 80 80 PHE HA H 4.454 0.030 1 907 80 80 PHE HB2 H 2.940 0.030 2 908 80 80 PHE HB3 H 2.735 0.030 2 909 80 80 PHE HD1 H 7.004 0.030 1 910 80 80 PHE HD2 H 7.004 0.030 1 911 80 80 PHE HE1 H 7.244 0.030 1 912 80 80 PHE HE2 H 7.244 0.030 1 913 80 80 PHE HZ H 7.304 0.030 1 914 80 80 PHE C C 174.400 0.300 1 915 80 80 PHE CA C 59.230 0.300 1 916 80 80 PHE CB C 41.218 0.300 1 917 80 80 PHE CD1 C 131.286 0.300 1 918 80 80 PHE CD2 C 131.286 0.300 1 919 80 80 PHE CE1 C 131.440 0.300 1 920 80 80 PHE CE2 C 131.440 0.300 1 921 80 80 PHE CZ C 130.312 0.300 1 922 80 80 PHE N N 132.248 0.300 1 923 81 81 TYR H H 7.572 0.030 1 924 81 81 TYR HA H 4.800 0.030 1 925 81 81 TYR HB2 H 2.189 0.030 2 926 81 81 TYR HB3 H 2.098 0.030 2 927 81 81 TYR HD1 H 6.666 0.030 1 928 81 81 TYR HD2 H 6.666 0.030 1 929 81 81 TYR HE1 H 6.536 0.030 1 930 81 81 TYR HE2 H 6.536 0.030 1 931 81 81 TYR C C 173.031 0.300 1 932 81 81 TYR CA C 56.089 0.300 1 933 81 81 TYR CB C 45.700 0.300 1 934 81 81 TYR CD1 C 132.546 0.300 1 935 81 81 TYR CD2 C 132.546 0.300 1 936 81 81 TYR CE1 C 117.785 0.300 1 937 81 81 TYR CE2 C 117.785 0.300 1 938 81 81 TYR N N 111.786 0.300 1 939 82 82 VAL H H 8.487 0.030 1 940 82 82 VAL HA H 4.371 0.030 1 941 82 82 VAL HB H 1.606 0.030 1 942 82 82 VAL HG1 H 0.896 0.030 1 943 82 82 VAL HG2 H 0.532 0.030 1 944 82 82 VAL C C 173.080 0.300 1 945 82 82 VAL CA C 60.994 0.300 1 946 82 82 VAL CB C 33.079 0.300 1 947 82 82 VAL CG1 C 22.801 0.300 2 948 82 82 VAL CG2 C 21.238 0.300 2 949 82 82 VAL N N 119.443 0.300 1 950 83 83 PHE H H 9.029 0.030 1 951 83 83 PHE HA H 5.712 0.030 1 952 83 83 PHE HB2 H 1.901 0.030 2 953 83 83 PHE HB3 H 0.594 0.030 2 954 83 83 PHE HD1 H 6.274 0.030 1 955 83 83 PHE HD2 H 6.274 0.030 1 956 83 83 PHE HE1 H 6.235 0.030 1 957 83 83 PHE HE2 H 6.235 0.030 1 958 83 83 PHE HZ H 6.432 0.030 1 959 83 83 PHE C C 174.182 0.300 1 960 83 83 PHE CA C 55.966 0.300 1 961 83 83 PHE CB C 43.914 0.300 1 962 83 83 PHE CD1 C 131.958 0.300 1 963 83 83 PHE CD2 C 131.958 0.300 1 964 83 83 PHE CE1 C 129.858 0.300 1 965 83 83 PHE CE2 C 129.858 0.300 1 966 83 83 PHE CZ C 126.919 0.300 1 967 83 83 PHE N N 122.590 0.300 1 968 84 84 LYS H H 8.762 0.030 1 969 84 84 LYS HA H 5.011 0.030 1 970 84 84 LYS HB2 H 1.244 0.030 1 971 84 84 LYS HB3 H 1.244 0.030 1 972 84 84 LYS HG2 H 1.057 0.030 2 973 84 84 LYS HG3 H 0.983 0.030 2 974 84 84 LYS HD2 H 0.776 0.030 2 975 84 84 LYS HD3 H 0.988 0.030 2 976 84 84 LYS HE2 H 1.760 0.030 2 977 84 84 LYS HE3 H 1.436 0.030 2 978 84 84 LYS C C 174.626 0.300 1 979 84 84 LYS CA C 55.313 0.300 1 980 84 84 LYS CB C 36.431 0.300 1 981 84 84 LYS CG C 24.592 0.300 1 982 84 84 LYS CD C 29.285 0.300 1 983 84 84 LYS CE C 41.209 0.300 1 984 84 84 LYS N N 117.381 0.300 1 985 85 85 ALA H H 8.577 0.030 1 986 85 85 ALA HA H 5.035 0.030 1 987 85 85 ALA HB H 1.716 0.030 1 988 85 85 ALA C C 177.562 0.300 1 989 85 85 ALA CA C 50.350 0.300 1 990 85 85 ALA CB C 21.074 0.300 1 991 85 85 ALA N N 127.512 0.300 1 992 86 86 ASP H H 8.519 0.030 1 993 86 86 ASP HA H 4.572 0.030 1 994 86 86 ASP HB2 H 2.855 0.030 2 995 86 86 ASP HB3 H 2.723 0.030 2 996 86 86 ASP C C 176.084 0.300 1 997 86 86 ASP CA C 56.707 0.300 1 998 86 86 ASP CB C 41.959 0.300 1 999 86 86 ASP N N 116.261 0.300 1 1000 87 87 ASP H H 7.630 0.030 1 1001 87 87 ASP HA H 4.786 0.030 1 1002 87 87 ASP HB2 H 2.975 0.030 1 1003 87 87 ASP HB3 H 2.975 0.030 1 1004 87 87 ASP C C 176.177 0.300 1 1005 87 87 ASP CA C 52.826 0.300 1 1006 87 87 ASP CB C 42.986 0.300 1 1007 87 87 ASP N N 112.522 0.300 1 1008 88 88 ALA H H 9.264 0.030 1 1009 88 88 ALA HA H 4.205 0.030 1 1010 88 88 ALA HB H 1.484 0.030 1 1011 88 88 ALA C C 180.045 0.300 1 1012 88 88 ALA CA C 55.295 0.300 1 1013 88 88 ALA CB C 18.913 0.300 1 1014 88 88 ALA N N 125.565 0.300 1 1015 89 89 HIS H H 8.715 0.030 1 1016 89 89 HIS HA H 4.537 0.030 1 1017 89 89 HIS HB2 H 3.334 0.030 1 1018 89 89 HIS HB3 H 3.334 0.030 1 1019 89 89 HIS HD2 H 7.279 0.030 1 1020 89 89 HIS HE1 H 8.287 0.030 1 1021 89 89 HIS C C 177.816 0.300 1 1022 89 89 HIS CA C 58.859 0.300 1 1023 89 89 HIS CB C 28.680 0.300 1 1024 89 89 HIS CD2 C 120.019 0.300 1 1025 89 89 HIS CE1 C 137.382 0.300 1 1026 89 89 HIS N N 119.031 0.300 1 1027 90 90 SER H H 8.994 0.030 1 1028 90 90 SER HA H 4.243 0.030 1 1029 90 90 SER HB2 H 4.184 0.030 2 1030 90 90 SER HB3 H 4.109 0.030 2 1031 90 90 SER C C 176.157 0.300 1 1032 90 90 SER CA C 61.764 0.300 1 1033 90 90 SER CB C 63.213 0.300 1 1034 90 90 SER N N 116.944 0.300 1 1035 91 91 THR H H 8.027 0.030 1 1036 91 91 THR HA H 3.738 0.030 1 1037 91 91 THR HB H 4.402 0.030 1 1038 91 91 THR HG2 H 1.142 0.030 1 1039 91 91 THR C C 174.994 0.300 1 1040 91 91 THR CA C 68.545 0.300 1 1041 91 91 THR CB C 68.416 0.300 1 1042 91 91 THR CG2 C 21.814 0.300 1 1043 91 91 THR N N 118.254 0.300 1 1044 92 92 GLN H H 7.825 0.030 1 1045 92 92 GLN HA H 3.735 0.030 1 1046 92 92 GLN HB2 H 2.145 0.030 1 1047 92 92 GLN HB3 H 2.145 0.030 1 1048 92 92 GLN HG2 H 2.379 0.030 1 1049 92 92 GLN HG3 H 2.379 0.030 1 1050 92 92 GLN HE21 H 6.719 0.030 2 1051 92 92 GLN HE22 H 7.737 0.030 2 1052 92 92 GLN C C 177.271 0.300 1 1053 92 92 GLN CA C 58.736 0.300 1 1054 92 92 GLN CB C 28.104 0.300 1 1055 92 92 GLN CG C 33.590 0.300 1 1056 92 92 GLN N N 119.409 0.300 1 1057 92 92 GLN NE2 N 115.013 0.300 1 1058 93 93 ARG H H 7.639 0.030 1 1059 93 93 ARG HA H 4.026 0.030 1 1060 93 93 ARG HB2 H 1.772 0.030 1 1061 93 93 ARG HB3 H 1.772 0.030 1 1062 93 93 ARG HG2 H 1.629 0.030 2 1063 93 93 ARG HG3 H 1.520 0.030 2 1064 93 93 ARG HD2 H 3.133 0.030 2 1065 93 93 ARG HD3 H 3.064 0.030 2 1066 93 93 ARG C C 180.263 0.300 1 1067 93 93 ARG CA C 59.101 0.300 1 1068 93 93 ARG CB C 29.420 0.300 1 1069 93 93 ARG CG C 27.365 0.300 1 1070 93 93 ARG CD C 43.192 0.300 1 1071 93 93 ARG N N 117.914 0.300 1 1072 94 94 TRP H H 8.213 0.030 1 1073 94 94 TRP HA H 4.144 0.030 1 1074 94 94 TRP HB2 H 3.125 0.030 2 1075 94 94 TRP HB3 H 2.895 0.030 2 1076 94 94 TRP HD1 H 7.071 0.030 1 1077 94 94 TRP HE1 H 10.606 0.030 1 1078 94 94 TRP HE3 H 7.147 0.030 1 1079 94 94 TRP HZ2 H 6.599 0.030 1 1080 94 94 TRP HZ3 H 6.204 0.030 1 1081 94 94 TRP HH2 H 6.660 0.030 1 1082 94 94 TRP C C 178.301 0.300 1 1083 94 94 TRP CA C 61.452 0.300 1 1084 94 94 TRP CB C 29.748 0.300 1 1085 94 94 TRP CD1 C 127.150 0.300 1 1086 94 94 TRP CE3 C 120.286 0.300 1 1087 94 94 TRP CZ2 C 114.040 0.300 1 1088 94 94 TRP CZ3 C 120.235 0.300 1 1089 94 94 TRP CH2 C 124.517 0.300 1 1090 94 94 TRP N N 119.961 0.300 1 1091 94 94 TRP NE1 N 129.893 0.300 1 1092 95 95 ILE H H 8.439 0.030 1 1093 95 95 ILE HA H 3.251 0.030 1 1094 95 95 ILE HB H 1.744 0.030 1 1095 95 95 ILE HG12 H 0.475 0.030 2 1096 95 95 ILE HG13 H 1.069 0.030 2 1097 95 95 ILE HG2 H 0.726 0.030 1 1098 95 95 ILE HD1 H 0.482 0.030 1 1099 95 95 ILE C C 178.025 0.300 1 1100 95 95 ILE CA C 65.969 0.300 1 1101 95 95 ILE CB C 36.614 0.300 1 1102 95 95 ILE CG1 C 28.624 0.300 1 1103 95 95 ILE CG2 C 16.699 0.300 1 1104 95 95 ILE CD1 C 13.409 0.300 1 1105 95 95 ILE N N 120.875 0.300 1 1106 96 96 ASP H H 8.238 0.030 1 1107 96 96 ASP HA H 4.316 0.030 1 1108 96 96 ASP HB2 H 2.600 0.030 2 1109 96 96 ASP HB3 H 2.698 0.030 2 1110 96 96 ASP C C 178.773 0.300 1 1111 96 96 ASP CA C 57.571 0.300 1 1112 96 96 ASP CB C 39.944 0.300 1 1113 96 96 ASP N N 119.495 0.300 1 1114 97 97 ALA H H 7.694 0.030 1 1115 97 97 ALA HA H 4.095 0.030 1 1116 97 97 ALA HB H 1.182 0.030 1 1117 97 97 ALA C C 180.917 0.300 1 1118 97 97 ALA CA C 54.872 0.300 1 1119 97 97 ALA CB C 19.200 0.300 1 1120 97 97 ALA N N 122.507 0.300 1 1121 98 98 PHE H H 9.157 0.030 1 1122 98 98 PHE HA H 3.998 0.030 1 1123 98 98 PHE HB2 H 3.182 0.030 2 1124 98 98 PHE HB3 H 2.781 0.030 2 1125 98 98 PHE HD1 H 7.235 0.030 1 1126 98 98 PHE HD2 H 7.235 0.030 1 1127 98 98 PHE HE1 H 6.774 0.030 1 1128 98 98 PHE HE2 H 6.774 0.030 1 1129 98 98 PHE HZ H 6.005 0.030 1 1130 98 98 PHE C C 178.543 0.300 1 1131 98 98 PHE CA C 62.917 0.300 1 1132 98 98 PHE CB C 39.656 0.300 1 1133 98 98 PHE CD1 C 131.618 0.300 1 1134 98 98 PHE CD2 C 131.618 0.300 1 1135 98 98 PHE CE1 C 131.084 0.300 1 1136 98 98 PHE CE2 C 131.084 0.300 1 1137 98 98 PHE CZ C 129.369 0.300 1 1138 98 98 PHE N N 118.698 0.300 1 1139 99 99 GLN H H 8.967 0.030 1 1140 99 99 GLN HA H 4.039 0.030 1 1141 99 99 GLN HB2 H 2.284 0.030 2 1142 99 99 GLN HB3 H 2.126 0.030 2 1143 99 99 GLN HG2 H 2.539 0.030 2 1144 99 99 GLN HG3 H 2.403 0.030 2 1145 99 99 GLN HE21 H 7.281 0.030 2 1146 99 99 GLN HE22 H 6.793 0.030 2 1147 99 99 GLN C C 179.270 0.300 1 1148 99 99 GLN CA C 59.512 0.300 1 1149 99 99 GLN CB C 28.040 0.300 1 1150 99 99 GLN CG C 34.394 0.300 1 1151 99 99 GLN N N 118.548 0.300 1 1152 99 99 GLN NE2 N 110.880 0.300 1 1153 100 100 GLU H H 7.872 0.030 1 1154 100 100 GLU HA H 4.095 0.030 1 1155 100 100 GLU HB2 H 2.077 0.030 1 1156 100 100 GLU HB3 H 2.077 0.030 1 1157 100 100 GLU HG2 H 2.376 0.030 2 1158 100 100 GLU HG3 H 2.244 0.030 2 1159 100 100 GLU C C 178.289 0.300 1 1160 100 100 GLU CA C 58.930 0.300 1 1161 100 100 GLU CB C 29.296 0.300 1 1162 100 100 GLU CG C 36.121 0.300 1 1163 100 100 GLU N N 119.741 0.300 1 1164 101 101 GLY H H 7.973 0.030 1 1165 101 101 GLY HA2 H 3.943 0.030 2 1166 101 101 GLY HA3 H 3.376 0.030 2 1167 101 101 GLY C C 172.353 0.300 1 1168 101 101 GLY CA C 46.527 0.300 1 1169 101 101 GLY N N 105.819 0.300 1 1170 102 102 THR H H 7.588 0.030 1 1171 102 102 THR HA H 4.496 0.030 1 1172 102 102 THR HB H 4.744 0.030 1 1173 102 102 THR HG2 H 1.421 0.030 1 1174 102 102 THR C C 175.696 0.300 1 1175 102 102 THR CA C 62.123 0.300 1 1176 102 102 THR CB C 70.983 0.300 1 1177 102 102 THR CG2 C 21.978 0.300 1 1178 102 102 THR N N 106.461 0.300 1 1179 103 103 VAL H H 7.367 0.030 1 1180 103 103 VAL HA H 4.344 0.030 1 1181 103 103 VAL HB H 2.194 0.030 1 1182 103 103 VAL HG1 H 1.003 0.030 1 1183 103 103 VAL HG2 H 1.021 0.030 1 1184 103 103 VAL C C 175.769 0.300 1 1185 103 103 VAL CA C 61.647 0.300 1 1186 103 103 VAL CB C 33.608 0.300 1 1187 103 103 VAL CG1 C 21.403 0.300 2 1188 103 103 VAL CG2 C 20.270 0.300 2 1189 103 103 VAL N N 119.728 0.300 1 1190 104 104 SER H H 8.559 0.030 1 1191 104 104 SER HA H 4.440 0.030 1 1192 104 104 SER HB2 H 3.887 0.030 1 1193 104 104 SER HB3 H 3.887 0.030 1 1194 104 104 SER C C 174.848 0.300 1 1195 104 104 SER CA C 58.506 0.300 1 1196 104 104 SER CB C 64.077 0.300 1 1197 104 104 SER N N 119.070 0.300 1 1198 105 105 GLY H H 8.252 0.030 1 1199 105 105 GLY HA2 H 4.101 0.030 2 1200 105 105 GLY HA3 H 4.199 0.030 2 1201 105 105 GLY C C 171.577 0.300 1 1202 105 105 GLY CA C 44.640 0.300 1 1203 105 105 GLY N N 110.708 0.300 1 1204 106 106 PRO HA H 4.489 0.030 1 1205 106 106 PRO HB2 H 2.297 0.030 2 1206 106 106 PRO HB3 H 1.975 0.030 2 1207 106 106 PRO HG2 H 2.009 0.030 1 1208 106 106 PRO HG3 H 2.009 0.030 1 1209 106 106 PRO HD2 H 3.622 0.030 1 1210 106 106 PRO HD3 H 3.622 0.030 1 1211 106 106 PRO C C 177.416 0.300 1 1212 106 106 PRO CA C 63.199 0.300 1 1213 106 106 PRO CB C 32.256 0.300 1 1214 106 106 PRO CG C 27.140 0.300 1 1215 106 106 PRO CD C 49.755 0.300 1 1216 107 107 SER H H 8.569 0.030 1 1217 107 107 SER HA H 4.496 0.030 1 1218 107 107 SER HB2 H 3.887 0.030 1 1219 107 107 SER HB3 H 3.887 0.030 1 1220 107 107 SER C C 174.691 0.300 1 1221 107 107 SER CA C 58.401 0.300 1 1222 107 107 SER CB C 63.994 0.300 1 1223 107 107 SER N N 116.605 0.300 1 1224 108 108 SER H H 8.368 0.030 1 1225 108 108 SER HA H 4.496 0.030 1 1226 108 108 SER HB2 H 3.874 0.030 1 1227 108 108 SER HB3 H 3.874 0.030 1 1228 108 108 SER C C 173.927 0.300 1 1229 108 108 SER CA C 58.419 0.300 1 1230 108 108 SER CB C 64.035 0.300 1 1231 108 108 SER N N 117.905 0.300 1 1232 109 109 GLY H H 8.057 0.030 1 1233 109 109 GLY C C 178.991 0.300 1 1234 109 109 GLY CA C 46.228 0.300 1 1235 109 109 GLY N N 116.861 0.300 1 stop_ save_