data_10110 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Gas2 Domain of the Growth Arrest Specific 2 Protein ; _BMRB_accession_number 10110 _BMRB_flat_file_name bmr10110.str _Entry_type original _Submission_date 2007-02-13 _Accession_date 2007-02-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miyamoto K. . . 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" 527 "13C chemical shifts" 378 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'update entity name' 2008-08-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Gas2 Domain of the Growth Arrest Specific 2 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 Miyamoto K. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'Growth-arrest-specific protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Growth-arrest-specific protein 2' $entity_1 'zinc ion' $ZN 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 'Growth-arrest-specific protein 2' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; GSSGSSGNLLDDAVKRISED PPCKCPTKFCVERLSQGRYR VGEKILFIRMLHNKHVMVRV GGGWETFAGYLLKHDPCRML QISRVDGKTSPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 LEU 10 LEU 11 ASP 12 ASP 13 ALA 14 VAL 15 LYS 16 ARG 17 ILE 18 SER 19 GLU 20 ASP 21 PRO 22 PRO 23 CYS 24 LYS 25 CYS 26 PRO 27 THR 28 LYS 29 PHE 30 CYS 31 VAL 32 GLU 33 ARG 34 LEU 35 SER 36 GLN 37 GLY 38 ARG 39 TYR 40 ARG 41 VAL 42 GLY 43 GLU 44 LYS 45 ILE 46 LEU 47 PHE 48 ILE 49 ARG 50 MET 51 LEU 52 HIS 53 ASN 54 LYS 55 HIS 56 VAL 57 MET 58 VAL 59 ARG 60 VAL 61 GLY 62 GLY 63 GLY 64 TRP 65 GLU 66 THR 67 PHE 68 ALA 69 GLY 70 TYR 71 LEU 72 LEU 73 LYS 74 HIS 75 ASP 76 PRO 77 CYS 78 ARG 79 MET 80 LEU 81 GLN 82 ILE 83 SER 84 ARG 85 VAL 86 ASP 87 GLY 88 LYS 89 THR 90 SER 91 PRO 92 SER 93 GLY 94 PRO 95 SER 96 SER 97 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1V5R "Solution Structure Of The Gas2 Domain Of The Growth Arrest Specific 2 Protein" 100.00 97 100.00 100.00 5.25e-64 DBJ BAB29405 "unnamed protein product [Mus musculus]" 89.69 256 98.85 100.00 2.12e-56 DBJ BAG36475 "unnamed protein product [Homo sapiens]" 89.69 313 97.70 98.85 4.05e-55 DBJ BAJ20935 "growth arrest-specific 2 [synthetic construct]" 89.69 313 97.70 98.85 4.05e-55 EMBL CAG29281 "GAS2 [Homo sapiens]" 89.69 313 97.70 98.85 4.05e-55 GB AAA37660 "growth-arrest-specific gas2 protein [Mus musculus]" 89.69 314 98.85 100.00 7.05e-56 GB AAC52058 "growth-arrest-specific protein 2 [Homo sapiens]" 89.69 313 97.70 98.85 4.05e-55 GB AAH13456 "Growth arrest specific 2 [Mus musculus]" 89.69 314 98.85 100.00 7.05e-56 GB AAH40470 "Growth arrest-specific 2 [Homo sapiens]" 89.69 313 97.70 98.85 4.05e-55 GB AAH53446 "Gas2 protein [Mus musculus]" 89.69 314 98.85 100.00 7.05e-56 REF NP_001098471 "growth arrest-specific protein 2 [Bos taurus]" 89.69 313 97.70 100.00 2.72e-55 REF NP_001120976 "growth arrest-specific protein 2 [Rattus norvegicus]" 89.69 314 98.85 100.00 6.68e-56 REF NP_001137302 "growth arrest-specific protein 2 [Homo sapiens]" 89.69 313 97.70 98.85 4.05e-55 REF NP_001244553 "growth arrest-specific protein 2 [Macaca mulatta]" 89.69 313 97.70 98.85 5.35e-55 REF NP_005247 "growth arrest-specific protein 2 [Homo sapiens]" 89.69 313 97.70 98.85 4.05e-55 SP O43903 "RecName: Full=Growth arrest-specific protein 2; Short=GAS-2" 89.69 313 97.70 98.85 4.05e-55 SP P11862 "RecName: Full=Growth arrest-specific protein 2; Short=GAS-2" 89.69 314 98.85 100.00 7.05e-56 TPG DAA14022 "TPA: growth arrest-specific 2 [Bos taurus]" 89.69 313 97.70 100.00 2.72e-55 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 6 16:29:02 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 P020417-07 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 1.03 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . ZnCl2 100 uM . 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 0.863 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer 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 7.5 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 'Growth-arrest-specific protein 2' _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 8 8 ASN H H 9.175 0.030 1 2 8 8 ASN HA H 4.781 0.030 1 3 8 8 ASN HB2 H 2.754 0.030 2 4 8 8 ASN HB3 H 2.955 0.030 2 5 8 8 ASN HD21 H 7.084 0.030 2 6 8 8 ASN HD22 H 7.724 0.030 2 7 8 8 ASN CA C 53.451 0.300 1 8 8 8 ASN CB C 39.319 0.300 1 9 8 8 ASN ND2 N 113.696 0.300 1 10 9 9 LEU H H 8.161 0.030 1 11 9 9 LEU HA H 4.119 0.030 1 12 9 9 LEU HB2 H 1.744 0.030 2 13 9 9 LEU HB3 H 1.544 0.030 2 14 9 9 LEU HG H 1.672 0.030 1 15 9 9 LEU HD1 H 0.897 0.030 1 16 9 9 LEU HD2 H 0.949 0.030 1 17 9 9 LEU C C 179.294 0.300 1 18 9 9 LEU CA C 58.024 0.300 1 19 9 9 LEU CB C 42.249 0.300 1 20 9 9 LEU CG C 27.049 0.300 1 21 9 9 LEU CD1 C 23.739 0.300 2 22 9 9 LEU CD2 C 24.899 0.300 2 23 9 9 LEU N N 122.706 0.300 1 24 10 10 LEU H H 8.108 0.030 1 25 10 10 LEU HA H 4.143 0.030 1 26 10 10 LEU HB2 H 1.602 0.030 2 27 10 10 LEU HB3 H 1.933 0.030 2 28 10 10 LEU HG H 1.513 0.030 1 29 10 10 LEU HD1 H 0.802 0.030 1 30 10 10 LEU HD2 H 0.989 0.030 1 31 10 10 LEU C C 177.686 0.300 1 32 10 10 LEU CA C 58.249 0.300 1 33 10 10 LEU CB C 41.304 0.300 1 34 10 10 LEU CG C 27.079 0.300 1 35 10 10 LEU CD1 C 24.603 0.300 2 36 10 10 LEU CD2 C 26.141 0.300 2 37 10 10 LEU N N 120.653 0.300 1 38 11 11 ASP H H 8.090 0.030 1 39 11 11 ASP HA H 4.376 0.030 1 40 11 11 ASP HB2 H 2.709 0.030 2 41 11 11 ASP HB3 H 2.651 0.030 2 42 11 11 ASP C C 178.770 0.300 1 43 11 11 ASP CA C 57.799 0.300 1 44 11 11 ASP CB C 41.212 0.300 1 45 11 11 ASP N N 118.093 0.300 1 46 12 12 ASP H H 8.234 0.030 1 47 12 12 ASP HA H 4.372 0.030 1 48 12 12 ASP HB2 H 2.764 0.030 2 49 12 12 ASP HB3 H 2.634 0.030 2 50 12 12 ASP C C 178.401 0.300 1 51 12 12 ASP CA C 57.282 0.300 1 52 12 12 ASP CB C 40.310 0.300 1 53 12 12 ASP N N 118.277 0.300 1 54 13 13 ALA H H 7.843 0.030 1 55 13 13 ALA HA H 4.171 0.030 1 56 13 13 ALA HB H 1.504 0.030 1 57 13 13 ALA C C 179.850 0.300 1 58 13 13 ALA CA C 55.278 0.300 1 59 13 13 ALA CB C 18.994 0.300 1 60 13 13 ALA N N 123.699 0.300 1 61 14 14 VAL H H 8.493 0.030 1 62 14 14 VAL HA H 3.328 0.030 1 63 14 14 VAL HB H 1.925 0.030 1 64 14 14 VAL HG1 H 0.260 0.030 1 65 14 14 VAL HG2 H 0.262 0.030 1 66 14 14 VAL C C 178.807 0.300 1 67 14 14 VAL CA C 67.009 0.300 1 68 14 14 VAL CB C 31.707 0.300 1 69 14 14 VAL CG1 C 21.090 0.300 2 70 14 14 VAL CG2 C 23.625 0.300 2 71 14 14 VAL N N 119.266 0.300 1 72 15 15 LYS H H 8.015 0.030 1 73 15 15 LYS HA H 4.021 0.030 1 74 15 15 LYS HB2 H 1.945 0.030 1 75 15 15 LYS HB3 H 1.945 0.030 1 76 15 15 LYS HG2 H 1.414 0.030 2 77 15 15 LYS HG3 H 1.555 0.030 2 78 15 15 LYS HD2 H 1.738 0.030 1 79 15 15 LYS HD3 H 1.738 0.030 1 80 15 15 LYS HE2 H 3.073 0.030 1 81 15 15 LYS HE3 H 3.073 0.030 1 82 15 15 LYS C C 178.582 0.300 1 83 15 15 LYS CA C 59.555 0.300 1 84 15 15 LYS CB C 32.142 0.300 1 85 15 15 LYS CG C 25.022 0.300 1 86 15 15 LYS CD C 30.174 0.300 1 87 15 15 LYS CE C 42.139 0.300 1 88 15 15 LYS N N 120.365 0.300 1 89 16 16 ARG H H 7.998 0.030 1 90 16 16 ARG HA H 4.040 0.030 1 91 16 16 ARG HB2 H 2.012 0.030 1 92 16 16 ARG HB3 H 2.012 0.030 1 93 16 16 ARG HG2 H 1.675 0.030 2 94 16 16 ARG HG3 H 1.814 0.030 2 95 16 16 ARG HD2 H 3.265 0.030 1 96 16 16 ARG HD3 H 3.265 0.030 1 97 16 16 ARG C C 179.489 0.300 1 98 16 16 ARG CA C 59.633 0.300 1 99 16 16 ARG CB C 30.029 0.300 1 100 16 16 ARG CG C 27.580 0.300 1 101 16 16 ARG CD C 43.388 0.300 1 102 16 16 ARG N N 118.213 0.300 1 103 17 17 ILE H H 8.176 0.030 1 104 17 17 ILE HA H 3.956 0.030 1 105 17 17 ILE HB H 2.033 0.030 1 106 17 17 ILE HG12 H 1.325 0.030 2 107 17 17 ILE HG13 H 2.018 0.030 2 108 17 17 ILE HG2 H 0.898 0.030 1 109 17 17 ILE HD1 H 1.177 0.030 1 110 17 17 ILE C C 178.855 0.300 1 111 17 17 ILE CA C 64.719 0.300 1 112 17 17 ILE CB C 38.971 0.300 1 113 17 17 ILE CG1 C 29.876 0.300 1 114 17 17 ILE CG2 C 17.629 0.300 1 115 17 17 ILE CD1 C 14.944 0.300 1 116 17 17 ILE N N 118.513 0.300 1 117 18 18 SER H H 8.344 0.030 1 118 18 18 SER HA H 4.142 0.030 1 119 18 18 SER HB2 H 4.033 0.030 2 120 18 18 SER HB3 H 4.279 0.030 2 121 18 18 SER C C 174.106 0.300 1 122 18 18 SER CA C 60.849 0.300 1 123 18 18 SER CB C 63.849 0.300 1 124 18 18 SER N N 113.615 0.300 1 125 19 19 GLU H H 7.465 0.030 1 126 19 19 GLU HA H 4.313 0.030 1 127 19 19 GLU HB2 H 2.354 0.030 2 128 19 19 GLU HB3 H 1.877 0.030 2 129 19 19 GLU HG2 H 2.268 0.030 2 130 19 19 GLU HG3 H 2.508 0.030 2 131 19 19 GLU C C 174.021 0.300 1 132 19 19 GLU CA C 55.315 0.300 1 133 19 19 GLU CB C 29.621 0.300 1 134 19 19 GLU CG C 36.364 0.300 1 135 19 19 GLU N N 118.700 0.300 1 136 20 20 ASP H H 6.872 0.030 1 137 20 20 ASP HA H 5.205 0.030 1 138 20 20 ASP HB2 H 2.477 0.030 2 139 20 20 ASP HB3 H 3.009 0.030 2 140 20 20 ASP C C 172.923 0.300 1 141 20 20 ASP CA C 51.009 0.300 1 142 20 20 ASP CB C 42.278 0.300 1 143 20 20 ASP N N 118.615 0.300 1 144 21 21 PRO HA H 5.072 0.030 1 145 21 21 PRO HB2 H 2.168 0.030 2 146 21 21 PRO HB3 H 2.382 0.030 2 147 21 21 PRO HG2 H 1.728 0.030 2 148 21 21 PRO HG3 H 1.917 0.030 2 149 21 21 PRO HD2 H 3.463 0.030 2 150 21 21 PRO HD3 H 3.492 0.030 2 151 21 21 PRO CA C 62.314 0.300 1 152 21 21 PRO CB C 32.786 0.300 1 153 21 21 PRO CG C 24.145 0.300 1 154 21 21 PRO CD C 50.048 0.300 1 155 22 22 PRO HA H 4.731 0.030 1 156 22 22 PRO HB2 H 1.873 0.030 2 157 22 22 PRO HB3 H 2.404 0.030 2 158 22 22 PRO HG2 H 2.037 0.030 1 159 22 22 PRO HG3 H 2.037 0.030 1 160 22 22 PRO HD2 H 3.578 0.030 2 161 22 22 PRO HD3 H 3.766 0.030 2 162 22 22 PRO CA C 62.380 0.300 1 163 22 22 PRO CB C 32.304 0.300 1 164 22 22 PRO CG C 27.613 0.300 1 165 22 22 PRO CD C 50.266 0.300 1 166 23 23 CYS H H 8.824 0.030 1 167 23 23 CYS HA H 4.396 0.030 1 168 23 23 CYS HB2 H 3.611 0.030 2 169 23 23 CYS HB3 H 2.889 0.030 2 170 23 23 CYS C C 177.306 0.300 1 171 23 23 CYS CA C 59.649 0.300 1 172 23 23 CYS CB C 29.156 0.300 1 173 23 23 CYS N N 123.947 0.300 1 174 24 24 LYS H H 10.039 0.030 1 175 24 24 LYS HA H 4.679 0.030 1 176 24 24 LYS HB2 H 2.052 0.030 2 177 24 24 LYS HB3 H 1.606 0.030 2 178 24 24 LYS HG2 H 1.485 0.030 1 179 24 24 LYS HG3 H 1.485 0.030 1 180 24 24 LYS HD2 H 1.741 0.030 1 181 24 24 LYS HD3 H 1.741 0.030 1 182 24 24 LYS HE2 H 3.001 0.030 1 183 24 24 LYS HE3 H 3.001 0.030 1 184 24 24 LYS C C 176.650 0.300 1 185 24 24 LYS CA C 55.101 0.300 1 186 24 24 LYS CB C 33.322 0.300 1 187 24 24 LYS CG C 24.360 0.300 1 188 24 24 LYS CD C 29.171 0.300 1 189 24 24 LYS CE C 42.163 0.300 1 190 24 24 LYS N N 135.364 0.300 1 191 25 25 CYS H H 9.858 0.030 1 192 25 25 CYS HA H 4.265 0.030 1 193 25 25 CYS HB2 H 2.865 0.030 2 194 25 25 CYS HB3 H 2.983 0.030 2 195 25 25 CYS C C 174.475 0.300 1 196 25 25 CYS CA C 61.799 0.300 1 197 25 25 CYS CB C 29.467 0.300 1 198 25 25 CYS N N 129.135 0.300 1 199 26 26 PRO HA H 4.206 0.030 1 200 26 26 PRO HB2 H 2.011 0.030 2 201 26 26 PRO HB3 H 2.383 0.030 2 202 26 26 PRO HG2 H 2.076 0.030 2 203 26 26 PRO HG3 H 2.199 0.030 2 204 26 26 PRO HD2 H 3.836 0.030 1 205 26 26 PRO HD3 H 3.836 0.030 1 206 26 26 PRO CA C 65.617 0.300 1 207 26 26 PRO CB C 31.736 0.300 1 208 26 26 PRO CG C 27.798 0.300 1 209 26 26 PRO CD C 50.170 0.300 1 210 27 27 THR H H 7.243 0.030 1 211 27 27 THR HA H 4.318 0.030 1 212 27 27 THR HB H 3.981 0.030 1 213 27 27 THR HG2 H 1.186 0.030 1 214 27 27 THR C C 173.018 0.300 1 215 27 27 THR CA C 61.073 0.300 1 216 27 27 THR CB C 69.565 0.300 1 217 27 27 THR CG2 C 21.599 0.300 1 218 27 27 THR N N 111.458 0.300 1 219 28 28 LYS H H 8.363 0.030 1 220 28 28 LYS HA H 4.293 0.030 1 221 28 28 LYS HB2 H 1.664 0.030 2 222 28 28 LYS HB3 H 1.826 0.030 2 223 28 28 LYS HG2 H 1.532 0.030 1 224 28 28 LYS HG3 H 1.532 0.030 1 225 28 28 LYS HD2 H 1.801 0.030 1 226 28 28 LYS HD3 H 1.801 0.030 1 227 28 28 LYS HE2 H 3.147 0.030 1 228 28 28 LYS HE3 H 3.147 0.030 1 229 28 28 LYS C C 176.616 0.300 1 230 28 28 LYS CA C 57.645 0.300 1 231 28 28 LYS CB C 32.864 0.300 1 232 28 28 LYS CG C 24.921 0.300 1 233 28 28 LYS CD C 29.699 0.300 1 234 28 28 LYS CE C 42.339 0.300 1 235 28 28 LYS N N 127.083 0.300 1 236 29 29 PHE H H 9.847 0.030 1 237 29 29 PHE HA H 4.375 0.030 1 238 29 29 PHE HB2 H 3.575 0.030 2 239 29 29 PHE HB3 H 3.163 0.030 2 240 29 29 PHE HD1 H 7.319 0.030 1 241 29 29 PHE HD2 H 7.319 0.030 1 242 29 29 PHE HE1 H 7.159 0.030 1 243 29 29 PHE HE2 H 7.159 0.030 1 244 29 29 PHE HZ H 7.411 0.030 1 245 29 29 PHE C C 175.456 0.300 1 246 29 29 PHE CA C 59.668 0.300 1 247 29 29 PHE CB C 39.973 0.300 1 248 29 29 PHE CD1 C 131.743 0.300 1 249 29 29 PHE CD2 C 131.743 0.300 1 250 29 29 PHE CE1 C 128.551 0.300 1 251 29 29 PHE CE2 C 128.551 0.300 1 252 29 29 PHE CZ C 130.429 0.300 1 253 29 29 PHE N N 133.807 0.300 1 254 30 30 CYS H H 8.184 0.030 1 255 30 30 CYS HA H 4.112 0.030 1 256 30 30 CYS HB2 H 2.767 0.030 2 257 30 30 CYS HB3 H 2.701 0.030 2 258 30 30 CYS C C 173.691 0.300 1 259 30 30 CYS CA C 60.336 0.300 1 260 30 30 CYS CB C 27.956 0.300 1 261 30 30 CYS N N 129.117 0.300 1 262 31 31 VAL H H 8.241 0.030 1 263 31 31 VAL HA H 5.037 0.030 1 264 31 31 VAL HB H 2.299 0.030 1 265 31 31 VAL HG1 H 0.975 0.030 1 266 31 31 VAL HG2 H 1.334 0.030 1 267 31 31 VAL C C 175.712 0.300 1 268 31 31 VAL CA C 62.794 0.300 1 269 31 31 VAL CB C 34.149 0.300 1 270 31 31 VAL CG1 C 22.231 0.300 2 271 31 31 VAL CG2 C 22.016 0.300 2 272 31 31 VAL N N 127.203 0.300 1 273 32 32 GLU H H 9.240 0.030 1 274 32 32 GLU HA H 4.781 0.030 1 275 32 32 GLU HB2 H 1.835 0.030 2 276 32 32 GLU HB3 H 1.898 0.030 2 277 32 32 GLU HG2 H 2.059 0.030 2 278 32 32 GLU HG3 H 2.188 0.030 2 279 32 32 GLU C C 174.095 0.300 1 280 32 32 GLU CA C 54.541 0.300 1 281 32 32 GLU CB C 33.978 0.300 1 282 32 32 GLU CG C 35.781 0.300 1 283 32 32 GLU N N 126.519 0.300 1 284 33 33 ARG H H 8.941 0.030 1 285 33 33 ARG HA H 2.764 0.030 1 286 33 33 ARG HB2 H 1.538 0.030 2 287 33 33 ARG HB3 H 1.419 0.030 2 288 33 33 ARG HG2 H 0.956 0.030 1 289 33 33 ARG HG3 H 0.956 0.030 1 290 33 33 ARG HD2 H 3.003 0.030 2 291 33 33 ARG HD3 H 2.950 0.030 2 292 33 33 ARG C C 175.855 0.300 1 293 33 33 ARG CA C 57.210 0.300 1 294 33 33 ARG CB C 30.493 0.300 1 295 33 33 ARG CG C 26.972 0.300 1 296 33 33 ARG CD C 43.449 0.300 1 297 33 33 ARG N N 128.420 0.300 1 298 34 34 LEU H H 8.753 0.030 1 299 34 34 LEU HA H 4.470 0.030 1 300 34 34 LEU HB2 H 1.346 0.030 2 301 34 34 LEU HB3 H 1.434 0.030 2 302 34 34 LEU HG H 1.564 0.030 1 303 34 34 LEU HD1 H 0.722 0.030 1 304 34 34 LEU HD2 H 0.709 0.030 1 305 34 34 LEU C C 176.782 0.300 1 306 34 34 LEU CA C 55.700 0.300 1 307 34 34 LEU CB C 42.677 0.300 1 308 34 34 LEU CG C 26.775 0.300 1 309 34 34 LEU CD1 C 26.716 0.300 2 310 34 34 LEU CD2 C 22.328 0.300 2 311 34 34 LEU N N 129.197 0.300 1 312 35 35 SER H H 8.085 0.030 1 313 35 35 SER HA H 4.314 0.030 1 314 35 35 SER HB2 H 4.042 0.030 2 315 35 35 SER HB3 H 3.991 0.030 2 316 35 35 SER C C 173.306 0.300 1 317 35 35 SER CA C 57.596 0.300 1 318 35 35 SER CB C 63.049 0.300 1 319 35 35 SER N N 112.027 0.300 1 320 36 36 GLN H H 8.110 0.030 1 321 36 36 GLN HA H 4.194 0.030 1 322 36 36 GLN HB2 H 2.112 0.030 1 323 36 36 GLN HB3 H 2.112 0.030 1 324 36 36 GLN HG2 H 2.446 0.030 1 325 36 36 GLN HG3 H 2.446 0.030 1 326 36 36 GLN HE21 H 7.628 0.030 2 327 36 36 GLN HE22 H 6.967 0.030 2 328 36 36 GLN CA C 58.289 0.300 1 329 36 36 GLN CB C 27.442 0.300 1 330 36 36 GLN CG C 33.271 0.300 1 331 36 36 GLN NE2 N 112.288 0.300 1 332 37 37 GLY H H 9.237 0.030 1 333 37 37 GLY HA2 H 4.324 0.030 2 334 37 37 GLY HA3 H 3.895 0.030 2 335 37 37 GLY C C 172.287 0.300 1 336 37 37 GLY CA C 46.455 0.300 1 337 37 37 GLY N N 114.687 0.300 1 338 38 38 ARG H H 7.932 0.030 1 339 38 38 ARG HA H 5.097 0.030 1 340 38 38 ARG HB2 H 1.428 0.030 2 341 38 38 ARG HB3 H 1.532 0.030 2 342 38 38 ARG HG2 H 0.994 0.030 2 343 38 38 ARG HG3 H 1.096 0.030 2 344 38 38 ARG HD2 H 3.003 0.030 2 345 38 38 ARG HD3 H 2.942 0.030 2 346 38 38 ARG C C 173.852 0.300 1 347 38 38 ARG CA C 55.705 0.300 1 348 38 38 ARG CB C 32.560 0.300 1 349 38 38 ARG CG C 28.028 0.300 1 350 38 38 ARG CD C 43.479 0.300 1 351 38 38 ARG N N 120.887 0.300 1 352 39 39 TYR H H 9.062 0.030 1 353 39 39 TYR HA H 4.986 0.030 1 354 39 39 TYR HB2 H 2.459 0.030 2 355 39 39 TYR HB3 H 2.384 0.030 2 356 39 39 TYR HD1 H 6.649 0.030 1 357 39 39 TYR HD2 H 6.649 0.030 1 358 39 39 TYR HE1 H 6.569 0.030 1 359 39 39 TYR HE2 H 6.569 0.030 1 360 39 39 TYR C C 174.404 0.300 1 361 39 39 TYR CA C 56.332 0.300 1 362 39 39 TYR CB C 42.869 0.300 1 363 39 39 TYR CD1 C 132.541 0.300 1 364 39 39 TYR CD2 C 132.541 0.300 1 365 39 39 TYR CE1 C 117.293 0.300 1 366 39 39 TYR CE2 C 117.293 0.300 1 367 39 39 TYR N N 125.124 0.300 1 368 40 40 ARG H H 9.362 0.030 1 369 40 40 ARG HA H 4.858 0.030 1 370 40 40 ARG HB2 H 1.491 0.030 2 371 40 40 ARG HB3 H 1.798 0.030 2 372 40 40 ARG HG2 H 1.319 0.030 2 373 40 40 ARG HG3 H 1.447 0.030 2 374 40 40 ARG HD2 H 3.130 0.030 1 375 40 40 ARG HD3 H 3.130 0.030 1 376 40 40 ARG C C 174.808 0.300 1 377 40 40 ARG CA C 55.401 0.300 1 378 40 40 ARG CB C 30.659 0.300 1 379 40 40 ARG CG C 27.329 0.300 1 380 40 40 ARG CD C 43.412 0.300 1 381 40 40 ARG N N 123.324 0.300 1 382 41 41 VAL H H 9.034 0.030 1 383 41 41 VAL HA H 4.884 0.030 1 384 41 41 VAL HB H 2.072 0.030 1 385 41 41 VAL HG1 H 1.314 0.030 1 386 41 41 VAL HG2 H 0.950 0.030 1 387 41 41 VAL C C 176.830 0.300 1 388 41 41 VAL CA C 60.827 0.300 1 389 41 41 VAL CB C 32.979 0.300 1 390 41 41 VAL CG1 C 23.125 0.300 2 391 41 41 VAL CG2 C 21.520 0.300 2 392 41 41 VAL N N 128.769 0.300 1 393 42 42 GLY H H 9.518 0.030 1 394 42 42 GLY HA2 H 3.597 0.030 2 395 42 42 GLY HA3 H 2.955 0.030 2 396 42 42 GLY C C 173.928 0.300 1 397 42 42 GLY CA C 47.291 0.300 1 398 42 42 GLY N N 120.930 0.300 1 399 43 43 GLU H H 8.884 0.030 1 400 43 43 GLU HA H 4.396 0.030 1 401 43 43 GLU HB2 H 2.265 0.030 2 402 43 43 GLU HB3 H 1.933 0.030 2 403 43 43 GLU HG2 H 2.260 0.030 2 404 43 43 GLU HG3 H 2.343 0.030 2 405 43 43 GLU C C 176.426 0.300 1 406 43 43 GLU CA C 55.805 0.300 1 407 43 43 GLU CB C 30.252 0.300 1 408 43 43 GLU CG C 36.309 0.300 1 409 43 43 GLU N N 125.368 0.300 1 410 44 44 LYS H H 7.747 0.030 1 411 44 44 LYS HA H 4.590 0.030 1 412 44 44 LYS HB2 H 1.751 0.030 2 413 44 44 LYS HB3 H 1.856 0.030 2 414 44 44 LYS HG2 H 1.445 0.030 2 415 44 44 LYS HG3 H 1.530 0.030 2 416 44 44 LYS HD2 H 1.716 0.030 1 417 44 44 LYS HD3 H 1.716 0.030 1 418 44 44 LYS HE2 H 3.067 0.030 1 419 44 44 LYS HE3 H 3.067 0.030 1 420 44 44 LYS C C 174.482 0.300 1 421 44 44 LYS CA C 54.538 0.300 1 422 44 44 LYS CB C 35.272 0.300 1 423 44 44 LYS CG C 25.062 0.300 1 424 44 44 LYS CD C 28.879 0.300 1 425 44 44 LYS CE C 42.199 0.300 1 426 44 44 LYS N N 120.142 0.300 1 427 45 45 ILE H H 8.258 0.030 1 428 45 45 ILE HA H 4.688 0.030 1 429 45 45 ILE HB H 1.634 0.030 1 430 45 45 ILE HG12 H 1.523 0.030 2 431 45 45 ILE HG13 H 0.792 0.030 2 432 45 45 ILE HG2 H 0.548 0.030 1 433 45 45 ILE HD1 H 0.735 0.030 1 434 45 45 ILE C C 175.761 0.300 1 435 45 45 ILE CA C 60.933 0.300 1 436 45 45 ILE CB C 37.805 0.300 1 437 45 45 ILE CG1 C 27.678 0.300 1 438 45 45 ILE CG2 C 17.639 0.300 1 439 45 45 ILE CD1 C 12.859 0.300 1 440 45 45 ILE N N 121.197 0.300 1 441 46 46 LEU H H 9.301 0.030 1 442 46 46 LEU HA H 4.919 0.030 1 443 46 46 LEU HB2 H 1.318 0.030 2 444 46 46 LEU HB3 H 1.381 0.030 2 445 46 46 LEU HG H 1.366 0.030 1 446 46 46 LEU HD1 H 0.421 0.030 1 447 46 46 LEU HD2 H 0.782 0.030 1 448 46 46 LEU C C 175.332 0.300 1 449 46 46 LEU CA C 53.030 0.300 1 450 46 46 LEU CB C 46.016 0.300 1 451 46 46 LEU CG C 26.791 0.300 1 452 46 46 LEU CD1 C 25.382 0.300 2 453 46 46 LEU CD2 C 22.989 0.300 2 454 46 46 LEU N N 128.630 0.300 1 455 47 47 PHE H H 8.884 0.030 1 456 47 47 PHE HA H 5.363 0.030 1 457 47 47 PHE HB2 H 2.868 0.030 2 458 47 47 PHE HB3 H 3.198 0.030 2 459 47 47 PHE HD1 H 7.384 0.030 1 460 47 47 PHE HD2 H 7.384 0.030 1 461 47 47 PHE HE1 H 7.336 0.030 1 462 47 47 PHE HE2 H 7.336 0.030 1 463 47 47 PHE HZ H 7.419 0.030 1 464 47 47 PHE C C 174.797 0.300 1 465 47 47 PHE CA C 57.262 0.300 1 466 47 47 PHE CB C 40.149 0.300 1 467 47 47 PHE CD1 C 131.827 0.300 1 468 47 47 PHE CD2 C 131.827 0.300 1 469 47 47 PHE CE1 C 129.584 0.300 1 470 47 47 PHE CE2 C 129.584 0.300 1 471 47 47 PHE CZ C 131.215 0.300 1 472 47 47 PHE N N 121.226 0.300 1 473 48 48 ILE H H 8.425 0.030 1 474 48 48 ILE HA H 5.285 0.030 1 475 48 48 ILE HB H 1.293 0.030 1 476 48 48 ILE HG12 H 1.403 0.030 2 477 48 48 ILE HG13 H 0.758 0.030 2 478 48 48 ILE HG2 H 0.439 0.030 1 479 48 48 ILE HD1 H -0.212 0.030 1 480 48 48 ILE C C 174.586 0.300 1 481 48 48 ILE CA C 59.812 0.300 1 482 48 48 ILE CB C 40.578 0.300 1 483 48 48 ILE CG1 C 27.364 0.300 1 484 48 48 ILE CG2 C 18.048 0.300 1 485 48 48 ILE CD1 C 12.149 0.300 1 486 48 48 ILE N N 122.587 0.300 1 487 49 49 ARG H H 9.077 0.030 1 488 49 49 ARG HA H 4.691 0.030 1 489 49 49 ARG HB2 H 1.489 0.030 2 490 49 49 ARG HB3 H 1.616 0.030 2 491 49 49 ARG HG2 H 1.214 0.030 2 492 49 49 ARG HG3 H 1.120 0.030 2 493 49 49 ARG HD2 H 2.512 0.030 2 494 49 49 ARG HD3 H 2.626 0.030 2 495 49 49 ARG C C 173.191 0.300 1 496 49 49 ARG CA C 54.152 0.300 1 497 49 49 ARG CB C 34.769 0.300 1 498 49 49 ARG CG C 25.898 0.300 1 499 49 49 ARG CD C 43.551 0.300 1 500 49 49 ARG N N 123.085 0.300 1 501 50 50 MET H H 8.750 0.030 1 502 50 50 MET HA H 5.162 0.030 1 503 50 50 MET HB2 H 1.749 0.030 2 504 50 50 MET HB3 H 1.974 0.030 2 505 50 50 MET HG2 H 2.096 0.030 2 506 50 50 MET HG3 H 2.352 0.030 2 507 50 50 MET HE H 1.789 0.030 1 508 50 50 MET C C 175.666 0.300 1 509 50 50 MET CA C 53.803 0.300 1 510 50 50 MET CB C 34.757 0.300 1 511 50 50 MET CG C 32.184 0.300 1 512 50 50 MET CE C 16.981 0.300 1 513 50 50 MET N N 121.592 0.300 1 514 51 51 LEU H H 9.049 0.030 1 515 51 51 LEU HA H 4.451 0.030 1 516 51 51 LEU HB2 H 1.452 0.030 2 517 51 51 LEU HB3 H 1.495 0.030 2 518 51 51 LEU HG H 1.132 0.030 1 519 51 51 LEU HD1 H 0.555 0.030 1 520 51 51 LEU HD2 H 0.533 0.030 1 521 51 51 LEU C C 177.464 0.300 1 522 51 51 LEU CA C 53.949 0.300 1 523 51 51 LEU CB C 43.709 0.300 1 524 51 51 LEU CG C 27.106 0.300 1 525 51 51 LEU CD1 C 23.505 0.300 2 526 51 51 LEU CD2 C 24.033 0.300 2 527 51 51 LEU N N 127.698 0.300 1 528 52 52 HIS H H 7.544 0.030 1 529 52 52 HIS HA H 4.360 0.030 1 530 52 52 HIS HB2 H 3.223 0.030 2 531 52 52 HIS HB3 H 3.173 0.030 2 532 52 52 HIS HD2 H 6.967 0.030 1 533 52 52 HIS HE1 H 7.745 0.030 1 534 52 52 HIS CB C 29.141 0.300 1 535 52 52 HIS CD2 C 119.381 0.300 1 536 52 52 HIS CE1 C 138.823 0.300 1 537 53 53 ASN H H 8.415 0.030 1 538 53 53 ASN HA H 4.219 0.030 1 539 53 53 ASN HB2 H 2.903 0.030 1 540 53 53 ASN HB3 H 2.903 0.030 1 541 53 53 ASN HD21 H 7.443 0.030 2 542 53 53 ASN HD22 H 6.664 0.030 2 543 53 53 ASN CA C 54.349 0.300 1 544 53 53 ASN CB C 37.780 0.300 1 545 53 53 ASN ND2 N 111.393 0.300 1 546 54 54 LYS H H 7.850 0.030 1 547 54 54 LYS HA H 4.227 0.030 1 548 54 54 LYS HB2 H 1.458 0.030 2 549 54 54 LYS HB3 H 1.603 0.030 2 550 54 54 LYS HG2 H 1.076 0.030 1 551 54 54 LYS HG3 H 1.076 0.030 1 552 54 54 LYS HD2 H 1.575 0.030 1 553 54 54 LYS HD3 H 1.575 0.030 1 554 54 54 LYS HE2 H 2.941 0.030 1 555 54 54 LYS HE3 H 2.941 0.030 1 556 54 54 LYS C C 174.927 0.300 1 557 54 54 LYS CA C 58.127 0.300 1 558 54 54 LYS CB C 34.519 0.300 1 559 54 54 LYS CG C 24.466 0.300 1 560 54 54 LYS CD C 29.149 0.300 1 561 54 54 LYS CE C 42.118 0.300 1 562 54 54 LYS N N 114.317 0.300 1 563 55 55 HIS H H 7.937 0.030 1 564 55 55 HIS HA H 4.956 0.030 1 565 55 55 HIS HB2 H 3.001 0.030 1 566 55 55 HIS HB3 H 3.001 0.030 1 567 55 55 HIS HD2 H 6.890 0.030 1 568 55 55 HIS HE1 H 7.768 0.030 1 569 55 55 HIS C C 175.165 0.300 1 570 55 55 HIS CA C 55.307 0.300 1 571 55 55 HIS CB C 32.404 0.300 1 572 55 55 HIS CD2 C 119.487 0.300 1 573 55 55 HIS CE1 C 139.056 0.300 1 574 55 55 HIS N N 119.073 0.300 1 575 56 56 VAL H H 8.944 0.030 1 576 56 56 VAL HA H 4.250 0.030 1 577 56 56 VAL HB H 2.142 0.030 1 578 56 56 VAL HG1 H 0.622 0.030 1 579 56 56 VAL HG2 H 0.923 0.030 1 580 56 56 VAL C C 175.619 0.300 1 581 56 56 VAL CA C 63.321 0.300 1 582 56 56 VAL CB C 31.320 0.300 1 583 56 56 VAL CG1 C 22.914 0.300 2 584 56 56 VAL CG2 C 22.788 0.300 2 585 56 56 VAL N N 125.390 0.300 1 586 57 57 MET H H 9.211 0.030 1 587 57 57 MET HA H 5.613 0.030 1 588 57 57 MET HB2 H 2.207 0.030 2 589 57 57 MET HB3 H 1.851 0.030 2 590 57 57 MET HG2 H 2.445 0.030 1 591 57 57 MET HG3 H 2.445 0.030 1 592 57 57 MET HE H 1.930 0.030 1 593 57 57 MET C C 174.000 0.300 1 594 57 57 MET CA C 52.960 0.300 1 595 57 57 MET CB C 35.228 0.300 1 596 57 57 MET CG C 32.242 0.300 1 597 57 57 MET CE C 16.711 0.300 1 598 57 57 MET N N 127.727 0.300 1 599 58 58 VAL H H 9.989 0.030 1 600 58 58 VAL HA H 5.396 0.030 1 601 58 58 VAL HB H 1.826 0.030 1 602 58 58 VAL HG1 H 0.819 0.030 1 603 58 58 VAL HG2 H 0.760 0.030 1 604 58 58 VAL C C 173.751 0.300 1 605 58 58 VAL CA C 58.474 0.300 1 606 58 58 VAL CB C 35.549 0.300 1 607 58 58 VAL CG1 C 21.626 0.300 2 608 58 58 VAL CG2 C 22.024 0.300 2 609 58 58 VAL N N 118.051 0.300 1 610 59 59 ARG H H 8.255 0.030 1 611 59 59 ARG HA H 3.924 0.030 1 612 59 59 ARG HB2 H 1.734 0.030 2 613 59 59 ARG HB3 H 0.023 0.030 2 614 59 59 ARG HG2 H 0.523 0.030 2 615 59 59 ARG HG3 H 1.049 0.030 2 616 59 59 ARG HD2 H 2.247 0.030 2 617 59 59 ARG HD3 H 2.446 0.030 2 618 59 59 ARG HE H 8.021 0.030 1 619 59 59 ARG C C 175.213 0.300 1 620 59 59 ARG CA C 55.524 0.300 1 621 59 59 ARG CB C 29.015 0.300 1 622 59 59 ARG CG C 26.333 0.300 1 623 59 59 ARG CD C 42.808 0.300 1 624 59 59 ARG N N 128.985 0.300 1 625 60 60 VAL H H 8.267 0.030 1 626 60 60 VAL HA H 4.285 0.030 1 627 60 60 VAL HB H 1.977 0.030 1 628 60 60 VAL HG1 H 0.914 0.030 1 629 60 60 VAL HG2 H 0.972 0.030 1 630 60 60 VAL C C 176.205 0.300 1 631 60 60 VAL CA C 61.014 0.300 1 632 60 60 VAL CB C 34.271 0.300 1 633 60 60 VAL CG1 C 21.025 0.300 2 634 60 60 VAL CG2 C 21.167 0.300 2 635 60 60 VAL N N 127.676 0.300 1 636 62 62 GLY HA2 H 3.913 0.030 1 637 62 62 GLY HA3 H 3.913 0.030 1 638 62 62 GLY CA C 44.769 0.300 1 639 63 63 GLY H H 7.548 0.030 1 640 63 63 GLY HA2 H 4.334 0.030 2 641 63 63 GLY HA3 H 3.874 0.030 2 642 63 63 GLY C C 171.191 0.300 1 643 63 63 GLY CA C 44.665 0.300 1 644 63 63 GLY N N 108.634 0.300 1 645 64 64 TRP H H 8.495 0.030 1 646 64 64 TRP HA H 5.532 0.030 1 647 64 64 TRP HB2 H 3.034 0.030 2 648 64 64 TRP HB3 H 2.962 0.030 2 649 64 64 TRP HD1 H 7.297 0.030 1 650 64 64 TRP HE1 H 10.291 0.030 1 651 64 64 TRP HE3 H 7.228 0.030 1 652 64 64 TRP HZ2 H 7.465 0.030 1 653 64 64 TRP HZ3 H 6.932 0.030 1 654 64 64 TRP HH2 H 7.024 0.030 1 655 64 64 TRP C C 176.018 0.300 1 656 64 64 TRP CA C 55.835 0.300 1 657 64 64 TRP CB C 32.550 0.300 1 658 64 64 TRP CD1 C 128.126 0.300 1 659 64 64 TRP CE3 C 120.293 0.300 1 660 64 64 TRP CZ2 C 114.848 0.300 1 661 64 64 TRP CZ3 C 122.865 0.300 1 662 64 64 TRP CH2 C 124.237 0.300 1 663 64 64 TRP N N 119.966 0.300 1 664 64 64 TRP NE1 N 130.454 0.300 1 665 65 65 GLU H H 9.497 0.030 1 666 65 65 GLU HA H 5.105 0.030 1 667 65 65 GLU HB2 H 2.224 0.030 2 668 65 65 GLU HB3 H 2.256 0.030 2 669 65 65 GLU HG2 H 2.270 0.030 2 670 65 65 GLU HG3 H 2.352 0.030 2 671 65 65 GLU C C 175.894 0.300 1 672 65 65 GLU CA C 54.449 0.300 1 673 65 65 GLU CB C 33.873 0.300 1 674 65 65 GLU CG C 36.299 0.300 1 675 65 65 GLU N N 121.236 0.300 1 676 66 66 THR H H 8.952 0.030 1 677 66 66 THR HA H 5.037 0.030 1 678 66 66 THR HB H 4.930 0.030 1 679 66 66 THR HG2 H 1.479 0.030 1 680 66 66 THR C C 176.271 0.300 1 681 66 66 THR CA C 62.649 0.300 1 682 66 66 THR CB C 69.043 0.300 1 683 66 66 THR CG2 C 22.297 0.300 1 684 66 66 THR N N 114.092 0.300 1 685 67 67 PHE H H 9.167 0.030 1 686 67 67 PHE HA H 4.577 0.030 1 687 67 67 PHE HB2 H 2.983 0.030 2 688 67 67 PHE HB3 H 2.871 0.030 2 689 67 67 PHE HD1 H 7.041 0.030 1 690 67 67 PHE HD2 H 7.041 0.030 1 691 67 67 PHE HE1 H 7.298 0.030 1 692 67 67 PHE HE2 H 7.298 0.030 1 693 67 67 PHE HZ H 7.171 0.030 1 694 67 67 PHE C C 176.782 0.300 1 695 67 67 PHE CA C 60.194 0.300 1 696 67 67 PHE CB C 39.774 0.300 1 697 67 67 PHE CD1 C 130.915 0.300 1 698 67 67 PHE CD2 C 130.915 0.300 1 699 67 67 PHE CE1 C 131.051 0.300 1 700 67 67 PHE CE2 C 131.051 0.300 1 701 67 67 PHE CZ C 129.662 0.300 1 702 67 67 PHE N N 125.238 0.300 1 703 68 68 ALA H H 9.614 0.030 1 704 68 68 ALA HA H 3.662 0.030 1 705 68 68 ALA HB H 1.495 0.030 1 706 68 68 ALA C C 180.402 0.300 1 707 68 68 ALA CA C 55.786 0.300 1 708 68 68 ALA CB C 18.064 0.300 1 709 68 68 ALA N N 120.441 0.300 1 710 69 69 GLY H H 7.843 0.030 1 711 69 69 GLY HA2 H 3.748 0.030 2 712 69 69 GLY HA3 H 3.886 0.030 2 713 69 69 GLY C C 176.283 0.300 1 714 69 69 GLY CA C 46.649 0.300 1 715 69 69 GLY N N 105.564 0.300 1 716 70 70 TYR H H 8.308 0.030 1 717 70 70 TYR HA H 4.025 0.030 1 718 70 70 TYR HB2 H 3.085 0.030 2 719 70 70 TYR HB3 H 3.325 0.030 2 720 70 70 TYR HD1 H 6.889 0.030 1 721 70 70 TYR HD2 H 6.889 0.030 1 722 70 70 TYR HE1 H 6.601 0.030 1 723 70 70 TYR HE2 H 6.601 0.030 1 724 70 70 TYR C C 179.327 0.300 1 725 70 70 TYR CA C 62.849 0.300 1 726 70 70 TYR CB C 39.363 0.300 1 727 70 70 TYR CD1 C 132.197 0.300 1 728 70 70 TYR CD2 C 132.197 0.300 1 729 70 70 TYR CE1 C 118.416 0.300 1 730 70 70 TYR CE2 C 118.416 0.300 1 731 70 70 TYR N N 125.493 0.300 1 732 71 71 LEU H H 8.402 0.030 1 733 71 71 LEU HA H 3.684 0.030 1 734 71 71 LEU HB2 H 1.468 0.030 2 735 71 71 LEU HB3 H 1.139 0.030 2 736 71 71 LEU HG H 1.134 0.030 1 737 71 71 LEU HD1 H 0.760 0.030 1 738 71 71 LEU HD2 H 0.520 0.030 1 739 71 71 LEU C C 178.840 0.300 1 740 71 71 LEU CA C 58.054 0.300 1 741 71 71 LEU CB C 41.503 0.300 1 742 71 71 LEU CG C 26.067 0.300 1 743 71 71 LEU CD1 C 23.492 0.300 2 744 71 71 LEU CD2 C 25.489 0.300 2 745 71 71 LEU N N 119.494 0.300 1 746 72 72 LEU H H 7.321 0.030 1 747 72 72 LEU HA H 3.713 0.030 1 748 72 72 LEU HB2 H 1.726 0.030 2 749 72 72 LEU HB3 H 1.641 0.030 2 750 72 72 LEU HG H 1.681 0.030 1 751 72 72 LEU HD1 H 0.854 0.030 1 752 72 72 LEU HD2 H 0.854 0.030 1 753 72 72 LEU C C 177.273 0.300 1 754 72 72 LEU CA C 57.701 0.300 1 755 72 72 LEU CB C 41.879 0.300 1 756 72 72 LEU CG C 27.049 0.300 1 757 72 72 LEU CD1 C 24.779 0.300 1 758 72 72 LEU CD2 C 24.779 0.300 1 759 72 72 LEU N N 117.179 0.300 1 760 73 73 LYS H H 6.917 0.030 1 761 73 73 LYS HA H 3.938 0.030 1 762 73 73 LYS HB2 H 1.413 0.030 2 763 73 73 LYS HB3 H 1.194 0.030 2 764 73 73 LYS HG2 H 1.079 0.030 2 765 73 73 LYS HG3 H 1.284 0.030 2 766 73 73 LYS HD2 H 1.518 0.030 2 767 73 73 LYS HD3 H 1.576 0.030 2 768 73 73 LYS HE2 H 2.818 0.030 1 769 73 73 LYS HE3 H 2.818 0.030 1 770 73 73 LYS C C 177.336 0.300 1 771 73 73 LYS CA C 57.244 0.300 1 772 73 73 LYS CB C 33.497 0.300 1 773 73 73 LYS CG C 25.302 0.300 1 774 73 73 LYS CD C 29.349 0.300 1 775 73 73 LYS CE C 41.896 0.300 1 776 73 73 LYS N N 113.504 0.300 1 777 74 74 HIS H H 7.188 0.030 1 778 74 74 HIS HA H 4.414 0.030 1 779 74 74 HIS HB2 H 3.186 0.030 2 780 74 74 HIS HB3 H 2.225 0.030 2 781 74 74 HIS HD2 H 6.974 0.030 1 782 74 74 HIS HE1 H 7.660 0.030 1 783 74 74 HIS C C 173.685 0.300 1 784 74 74 HIS CA C 58.580 0.300 1 785 74 74 HIS CB C 32.112 0.300 1 786 74 74 HIS CD2 C 119.183 0.300 1 787 74 74 HIS CE1 C 137.828 0.300 1 788 74 74 HIS N N 113.887 0.300 1 789 75 75 ASP H H 8.097 0.030 1 790 75 75 ASP HA H 4.132 0.030 1 791 75 75 ASP HB2 H 2.578 0.030 2 792 75 75 ASP HB3 H 1.359 0.030 2 793 75 75 ASP C C 176.706 0.300 1 794 75 75 ASP CA C 50.783 0.300 1 795 75 75 ASP CB C 40.100 0.300 1 796 75 75 ASP N N 121.699 0.300 1 797 76 76 PRO HA H 4.160 0.030 1 798 76 76 PRO HB2 H 2.386 0.030 2 799 76 76 PRO HB3 H 2.058 0.030 2 800 76 76 PRO HG2 H 2.013 0.030 2 801 76 76 PRO HG3 H 2.274 0.030 2 802 76 76 PRO HD2 H 4.105 0.030 2 803 76 76 PRO HD3 H 4.414 0.030 2 804 76 76 PRO CA C 65.440 0.300 1 805 76 76 PRO CB C 32.853 0.300 1 806 76 76 PRO CG C 27.369 0.300 1 807 76 76 PRO CD C 51.654 0.300 1 808 77 77 CYS H H 6.670 0.030 1 809 77 77 CYS HA H 4.500 0.030 1 810 77 77 CYS HB2 H 3.351 0.030 2 811 77 77 CYS HB3 H 3.031 0.030 2 812 77 77 CYS C C 177.495 0.300 1 813 77 77 CYS CA C 59.608 0.300 1 814 77 77 CYS CB C 29.649 0.300 1 815 77 77 CYS N N 112.378 0.300 1 816 78 78 ARG H H 7.695 0.030 1 817 78 78 ARG HA H 4.058 0.030 1 818 78 78 ARG HB2 H 1.785 0.030 2 819 78 78 ARG HB3 H 1.866 0.030 2 820 78 78 ARG HG2 H 1.723 0.030 2 821 78 78 ARG HG3 H 1.483 0.030 2 822 78 78 ARG HD2 H 2.771 0.030 2 823 78 78 ARG HD3 H 3.160 0.030 2 824 78 78 ARG HE H 7.649 0.030 1 825 78 78 ARG C C 177.210 0.300 1 826 78 78 ARG CA C 58.263 0.300 1 827 78 78 ARG CB C 30.449 0.300 1 828 78 78 ARG CG C 30.228 0.300 1 829 78 78 ARG CD C 43.142 0.300 1 830 78 78 ARG N N 124.118 0.300 1 831 78 78 ARG NE N 84.550 0.300 1 832 79 79 MET H H 7.676 0.030 1 833 79 79 MET HA H 4.256 0.030 1 834 79 79 MET HB2 H 2.033 0.030 2 835 79 79 MET HB3 H 1.946 0.030 2 836 79 79 MET HG2 H 2.464 0.030 1 837 79 79 MET HG3 H 2.464 0.030 1 838 79 79 MET HE H 1.965 0.030 1 839 79 79 MET C C 176.874 0.300 1 840 79 79 MET CA C 56.718 0.300 1 841 79 79 MET CB C 32.933 0.300 1 842 79 79 MET CG C 31.846 0.300 1 843 79 79 MET CE C 16.735 0.300 1 844 79 79 MET N N 118.025 0.300 1 845 80 80 LEU H H 7.805 0.030 1 846 80 80 LEU HA H 4.245 0.030 1 847 80 80 LEU HB2 H 1.563 0.030 2 848 80 80 LEU HB3 H 1.653 0.030 2 849 80 80 LEU HG H 1.626 0.030 1 850 80 80 LEU HD1 H 0.908 0.030 1 851 80 80 LEU HD2 H 0.857 0.030 1 852 80 80 LEU C C 177.733 0.300 1 853 80 80 LEU CA C 55.790 0.300 1 854 80 80 LEU CB C 41.993 0.300 1 855 80 80 LEU CG C 27.089 0.300 1 856 80 80 LEU CD1 C 24.888 0.300 2 857 80 80 LEU CD2 C 23.498 0.300 2 858 80 80 LEU N N 120.844 0.300 1 859 81 81 GLN H H 8.059 0.030 1 860 81 81 GLN HA H 4.281 0.030 1 861 81 81 GLN HB2 H 2.114 0.030 2 862 81 81 GLN HB3 H 2.013 0.030 2 863 81 81 GLN HG2 H 2.312 0.030 2 864 81 81 GLN HG3 H 2.430 0.030 2 865 81 81 GLN HE21 H 6.952 0.030 2 866 81 81 GLN HE22 H 7.349 0.030 2 867 81 81 GLN C C 176.365 0.300 1 868 81 81 GLN CA C 56.521 0.300 1 869 81 81 GLN CB C 29.534 0.300 1 870 81 81 GLN CG C 34.081 0.300 1 871 81 81 GLN N N 119.753 0.300 1 872 81 81 GLN NE2 N 112.839 0.300 1 873 82 82 ILE H H 7.953 0.030 1 874 82 82 ILE HA H 4.146 0.030 1 875 82 82 ILE HB H 1.873 0.030 1 876 82 82 ILE HG12 H 1.455 0.030 2 877 82 82 ILE HG13 H 1.180 0.030 2 878 82 82 ILE HG2 H 0.890 0.030 1 879 82 82 ILE HD1 H 0.836 0.030 1 880 82 82 ILE CA C 61.557 0.300 1 881 82 82 ILE CB C 38.782 0.300 1 882 82 82 ILE CG1 C 27.494 0.300 1 883 82 82 ILE CG2 C 17.589 0.300 1 884 82 82 ILE CD1 C 13.210 0.300 1 885 82 82 ILE N N 120.504 0.300 1 886 83 83 SER H H 8.260 0.030 1 887 83 83 SER HA H 4.436 0.030 1 888 83 83 SER HB2 H 3.865 0.030 1 889 83 83 SER HB3 H 3.865 0.030 1 890 83 83 SER C C 174.403 0.300 1 891 83 83 SER CA C 58.541 0.300 1 892 83 83 SER CB C 63.702 0.300 1 893 83 83 SER N N 118.962 0.300 1 894 84 84 ARG H H 8.259 0.030 1 895 84 84 ARG HA H 4.398 0.030 1 896 84 84 ARG HB2 H 1.790 0.030 2 897 84 84 ARG HB3 H 1.894 0.030 2 898 84 84 ARG HG2 H 1.658 0.030 2 899 84 84 ARG HG3 H 1.595 0.030 2 900 84 84 ARG HD2 H 3.200 0.030 1 901 84 84 ARG HD3 H 3.200 0.030 1 902 84 84 ARG C C 176.449 0.300 1 903 84 84 ARG CA C 56.089 0.300 1 904 84 84 ARG CB C 30.988 0.300 1 905 84 84 ARG CG C 27.085 0.300 1 906 84 84 ARG CD C 43.409 0.300 1 907 84 84 ARG N N 123.293 0.300 1 908 85 85 VAL H H 8.195 0.030 1 909 85 85 VAL HA H 4.144 0.030 1 910 85 85 VAL HB H 2.099 0.030 1 911 85 85 VAL HG1 H 0.928 0.030 1 912 85 85 VAL HG2 H 0.928 0.030 1 913 85 85 VAL C C 175.972 0.300 1 914 85 85 VAL CA C 62.383 0.300 1 915 85 85 VAL CB C 32.776 0.300 1 916 85 85 VAL CG1 C 20.679 0.300 1 917 85 85 VAL CG2 C 20.679 0.300 1 918 85 85 VAL N N 120.908 0.300 1 919 86 86 ASP H H 8.385 0.030 1 920 86 86 ASP HA H 4.611 0.030 1 921 86 86 ASP HB2 H 2.710 0.030 2 922 86 86 ASP HB3 H 2.658 0.030 2 923 86 86 ASP C C 176.735 0.300 1 924 86 86 ASP CA C 54.371 0.300 1 925 86 86 ASP CB C 41.334 0.300 1 926 86 86 ASP N N 123.646 0.300 1 927 87 87 GLY H H 8.322 0.030 1 928 87 87 GLY HA2 H 3.938 0.030 1 929 87 87 GLY HA3 H 3.938 0.030 1 930 87 87 GLY C C 174.301 0.300 1 931 87 87 GLY CA C 45.515 0.300 1 932 87 87 GLY N N 109.232 0.300 1 933 88 88 LYS H H 8.197 0.030 1 934 88 88 LYS HA H 4.409 0.030 1 935 88 88 LYS HB2 H 1.806 0.030 2 936 88 88 LYS HB3 H 1.880 0.030 2 937 88 88 LYS HG2 H 1.434 0.030 1 938 88 88 LYS HG3 H 1.434 0.030 1 939 88 88 LYS HD2 H 1.641 0.030 1 940 88 88 LYS HD3 H 1.641 0.030 1 941 88 88 LYS HE2 H 3.007 0.030 1 942 88 88 LYS HE3 H 3.007 0.030 1 943 88 88 LYS C C 176.906 0.300 1 944 88 88 LYS CA C 56.304 0.300 1 945 88 88 LYS CB C 33.084 0.300 1 946 88 88 LYS CG C 24.754 0.300 1 947 88 88 LYS CD C 29.006 0.300 1 948 88 88 LYS CE C 42.174 0.300 1 949 88 88 LYS N N 120.626 0.300 1 950 89 89 THR H H 8.198 0.030 1 951 89 89 THR HA H 4.382 0.030 1 952 89 89 THR HB H 4.212 0.030 1 953 89 89 THR HG2 H 1.212 0.030 1 954 89 89 THR C C 174.380 0.300 1 955 89 89 THR CA C 61.784 0.300 1 956 89 89 THR CB C 69.952 0.300 1 957 89 89 THR CG2 C 21.712 0.300 1 958 89 89 THR N N 115.040 0.300 1 959 91 91 PRO HA H 4.498 0.030 1 960 91 91 PRO HB2 H 2.314 0.030 2 961 91 91 PRO HB3 H 1.984 0.030 2 962 91 91 PRO HG2 H 2.028 0.030 1 963 91 91 PRO HG3 H 2.028 0.030 1 964 91 91 PRO HD2 H 3.755 0.030 2 965 91 91 PRO HD3 H 3.841 0.030 2 966 91 91 PRO CA C 63.366 0.300 1 967 91 91 PRO CB C 32.105 0.300 1 968 91 91 PRO CG C 27.288 0.300 1 969 91 91 PRO CD C 50.810 0.300 1 970 92 92 SER H H 8.381 0.030 1 971 92 92 SER N N 115.812 0.300 1 972 93 93 GLY HA2 H 4.144 0.030 1 973 93 93 GLY HA3 H 4.144 0.030 1 974 94 94 PRO HA H 4.683 0.030 1 975 94 94 PRO HB2 H 2.183 0.030 2 976 94 94 PRO HB3 H 2.403 0.030 2 977 94 94 PRO HG2 H 1.872 0.030 2 978 94 94 PRO HG3 H 1.955 0.030 2 979 94 94 PRO HD2 H 3.641 0.030 1 980 94 94 PRO HD3 H 3.641 0.030 1 981 94 94 PRO CA C 62.577 0.300 1 982 94 94 PRO CB C 34.768 0.300 1 983 94 94 PRO CG C 24.803 0.300 1 984 94 94 PRO CD C 49.809 0.300 1 stop_ save_