data_10238 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L ; _BMRB_accession_number 10238 _BMRB_flat_file_name bmr10238.str _Entry_type new _Submission_date 2008-08-22 _Accession_date 2008-08-22 _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 Tochio N. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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" 934 "13C chemical shifts" 696 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-19 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode ; _Citation_status Published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18650440 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Koshiba S. . . 3 Hayashi F. . . 4 Tochio N. . . 5 Tomozawa T. . . 6 Kasai T. . . 7 Yabuki T. . . 8 Motoda Y. . . 9 Harada T. . . 10 Watanabe S. . . 11 Inoue M. . . 12 Hayashizaki Y. . . 13 Tanaka A. . . 14 Kigawa T. . . 15 Yokoyama S. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 283 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27165 _Page_last 27178 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'APP peptide and PID domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'APP peptide and PID domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; GSSGSSGDAAVTPEERHLSK MQQNGYENPTYKFFEQMQNS GSSGSSGSSGSSGPTPKTEL VQKFRVQYLGMLPVDRPVGM DTLNSAIENLMTSSSKEDWP SVNMNVADATVTVISEKNEE EVLVECRVRFLSFMGVGKDV HTFAFIMDTGNQRFECHVFW CEPNAANVSEAVQAAC ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 ALA 10 ALA 11 VAL 12 THR 13 PRO 14 GLU 15 GLU 16 ARG 17 HIS 18 LEU 19 SER 20 LYS 21 MET 22 GLN 23 GLN 24 ASN 25 GLY 26 TYR 27 GLU 28 ASN 29 PRO 30 THR 31 TYR 32 LYS 33 PHE 34 PHE 35 GLU 36 GLN 37 MET 38 GLN 39 ASN 40 SER 41 GLY 42 SER 43 SER 44 GLY 45 SER 46 SER 47 GLY 48 SER 49 SER 50 GLY 51 SER 52 SER 53 GLY 54 PRO 55 THR 56 PRO 57 LYS 58 THR 59 GLU 60 LEU 61 VAL 62 GLN 63 LYS 64 PHE 65 ARG 66 VAL 67 GLN 68 TYR 69 LEU 70 GLY 71 MET 72 LEU 73 PRO 74 VAL 75 ASP 76 ARG 77 PRO 78 VAL 79 GLY 80 MET 81 ASP 82 THR 83 LEU 84 ASN 85 SER 86 ALA 87 ILE 88 GLU 89 ASN 90 LEU 91 MET 92 THR 93 SER 94 SER 95 SER 96 LYS 97 GLU 98 ASP 99 TRP 100 PRO 101 SER 102 VAL 103 ASN 104 MET 105 ASN 106 VAL 107 ALA 108 ASP 109 ALA 110 THR 111 VAL 112 THR 113 VAL 114 ILE 115 SER 116 GLU 117 LYS 118 ASN 119 GLU 120 GLU 121 GLU 122 VAL 123 LEU 124 VAL 125 GLU 126 CYS 127 ARG 128 VAL 129 ARG 130 PHE 131 LEU 132 SER 133 PHE 134 MET 135 GLY 136 VAL 137 GLY 138 LYS 139 ASP 140 VAL 141 HIS 142 THR 143 PHE 144 ALA 145 PHE 146 ILE 147 MET 148 ASP 149 THR 150 GLY 151 ASN 152 GLN 153 ARG 154 PHE 155 GLU 156 CYS 157 HIS 158 VAL 159 PHE 160 TRP 161 CYS 162 GLU 163 PRO 164 ASN 165 ALA 166 ALA 167 ASN 168 VAL 169 SER 170 GLU 171 ALA 172 VAL 173 GLN 174 ALA 175 ALA 176 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 BMRB 10235 "Phosphotyrosine-Interaction Domain" 73.86 136 100.00 100.00 1.19e-90 PDB 1WGU "Solution Structure Of The C-Terminal Phosphotyrosine Interaction Domain Of Apbb2 From Mouse" 73.86 136 100.00 100.00 1.19e-90 PDB 2ROZ "Structure Of The C-Terminal Pid Domain Of Fe65l1 Complexed With The Cytoplasmic Tail Of App Reveals A Novel Peptide Binding Mod" 73.86 136 100.00 100.00 1.19e-90 PDB 2YT0 "Solution Structure Of The Chimera Of The C-Terminal Tail Peptide Of App And The C-Terminal Pid Domain Of Fe65l" 100.00 176 100.00 100.00 4.94e-127 DBJ BAB23568 "unnamed protein product [Mus musculus]" 69.89 760 100.00 100.00 6.25e-80 DBJ BAE31851 "unnamed protein product [Mus musculus]" 69.89 738 100.00 100.00 3.36e-80 DBJ BAE39700 "unnamed protein product [Mus musculus]" 69.89 758 100.00 100.00 6.43e-80 DBJ BAE41482 "unnamed protein product [Mus musculus]" 69.89 736 100.00 100.00 3.28e-80 DBJ BAE42990 "unnamed protein product [Mus musculus]" 69.89 210 100.00 100.00 7.99e-86 GB AAH76587 "Apbb2 protein [Mus musculus]" 69.89 737 100.00 100.00 3.13e-80 GB EDL37768 "amyloid beta (A4) precursor protein-binding, family B, member 2, isoform CRA_a [Mus musculus]" 69.89 731 100.00 100.00 4.25e-80 GB EDL90042 "similar to amyloid beta (A4) precursor protein-binding, family B, member 2 (predicted) [Rattus norvegicus]" 69.89 731 97.56 99.19 1.05e-78 GB EGW02447 "Amyloid beta A4 precursor protein-binding family B member 2, partial [Cricetulus griseus]" 69.89 468 97.56 99.19 1.06e-79 GB ERE91473 "amyloid beta A4 precursor protein-binding family B member 2 [Cricetulus griseus]" 69.89 742 97.56 99.19 3.77e-78 REF NP_001188342 "amyloid beta A4 precursor protein-binding family B member 2 isoform 2 [Mus musculus]" 69.89 758 100.00 100.00 6.43e-80 REF NP_001188343 "amyloid beta A4 precursor protein-binding family B member 2 isoform 3 [Mus musculus]" 69.89 738 100.00 100.00 2.99e-80 REF NP_001188344 "amyloid beta A4 precursor protein-binding family B member 2 isoform 4 [Mus musculus]" 69.89 737 100.00 100.00 3.13e-80 REF NP_001188345 "amyloid beta A4 precursor protein-binding family B member 2 isoform 5 [Mus musculus]" 69.89 210 100.00 100.00 7.99e-86 REF NP_001297555 "amyloid beta A4 precursor protein-binding family B member 2 isoform 6 [Mus musculus]" 69.89 736 100.00 100.00 3.28e-80 SP Q9DBR4 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 2" 69.89 760 100.00 100.00 6.25e-80 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 P060710-06 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 1.04 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 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 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'APP peptide and PID domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.957 0.030 1 2 7 7 GLY HA3 H 3.957 0.030 1 3 7 7 GLY C C 174.104 0.300 1 4 7 7 GLY CA C 45.412 0.300 1 5 8 8 ASP H H 8.196 0.030 1 6 8 8 ASP HA H 4.563 0.030 1 7 8 8 ASP HB2 H 2.677 0.030 2 8 8 8 ASP HB3 H 2.591 0.030 2 9 8 8 ASP C C 176.162 0.300 1 10 8 8 ASP CA C 54.627 0.300 1 11 8 8 ASP CB C 41.229 0.300 1 12 8 8 ASP N N 120.778 0.300 1 13 9 9 ALA H H 8.181 0.030 1 14 9 9 ALA HA H 4.272 0.030 1 15 9 9 ALA HB H 1.378 0.030 1 16 9 9 ALA C C 177.367 0.300 1 17 9 9 ALA CA C 52.500 0.300 1 18 9 9 ALA CB C 19.223 0.300 1 19 9 9 ALA N N 123.933 0.300 1 20 10 10 ALA H H 8.206 0.030 1 21 10 10 ALA HA H 4.308 0.030 1 22 10 10 ALA HB H 1.349 0.030 1 23 10 10 ALA C C 177.505 0.300 1 24 10 10 ALA CA C 52.243 0.300 1 25 10 10 ALA CB C 18.873 0.300 1 26 10 10 ALA N N 123.129 0.300 1 27 11 11 VAL H H 8.018 0.030 1 28 11 11 VAL HA H 4.266 0.030 1 29 11 11 VAL HB H 2.069 0.030 1 30 11 11 VAL HG1 H 0.945 0.030 1 31 11 11 VAL HG2 H 0.932 0.030 1 32 11 11 VAL C C 176.632 0.300 1 33 11 11 VAL CA C 61.860 0.300 1 34 11 11 VAL CB C 33.254 0.300 1 35 11 11 VAL CG1 C 21.533 0.300 2 36 11 11 VAL CG2 C 20.599 0.300 2 37 11 11 VAL N N 119.638 0.300 1 38 12 12 THR H H 8.471 0.030 1 39 12 12 THR HA H 4.658 0.030 1 40 12 12 THR HB H 4.648 0.030 1 41 12 12 THR HG2 H 1.338 0.030 1 42 12 12 THR C C 173.697 0.300 1 43 12 12 THR CA C 60.262 0.300 1 44 12 12 THR CB C 68.888 0.300 1 45 12 12 THR CG2 C 21.981 0.300 1 46 12 12 THR N N 117.692 0.300 1 47 13 13 PRO HA H 4.186 0.030 1 48 13 13 PRO HB2 H 2.358 0.030 2 49 13 13 PRO HB3 H 1.938 0.030 2 50 13 13 PRO HD2 H 3.899 0.030 1 51 13 13 PRO HD3 H 3.899 0.030 1 52 13 13 PRO HG2 H 2.007 0.030 2 53 13 13 PRO HG3 H 2.198 0.030 2 54 13 13 PRO C C 179.357 0.300 1 55 13 13 PRO CA C 65.625 0.300 1 56 13 13 PRO CB C 31.745 0.300 1 57 13 13 PRO CD C 50.455 0.300 1 58 13 13 PRO CG C 27.996 0.300 1 59 14 14 GLU H H 8.560 0.030 1 60 14 14 GLU HA H 4.037 0.030 1 61 14 14 GLU HB2 H 2.072 0.030 2 62 14 14 GLU HB3 H 1.800 0.030 2 63 14 14 GLU HG2 H 2.100 0.030 1 64 14 14 GLU HG3 H 2.100 0.030 1 65 14 14 GLU C C 178.016 0.300 1 66 14 14 GLU CA C 60.051 0.300 1 67 14 14 GLU CB C 29.804 0.300 1 68 14 14 GLU CG C 37.214 0.300 1 69 14 14 GLU N N 118.964 0.300 1 70 15 15 GLU H H 7.798 0.030 1 71 15 15 GLU HA H 3.908 0.030 1 72 15 15 GLU HB2 H 1.993 0.030 2 73 15 15 GLU HB3 H 2.241 0.030 2 74 15 15 GLU HG2 H 2.319 0.030 2 75 15 15 GLU HG3 H 2.234 0.030 2 76 15 15 GLU C C 179.643 0.300 1 77 15 15 GLU CA C 59.266 0.300 1 78 15 15 GLU CB C 29.887 0.300 1 79 15 15 GLU CG C 37.202 0.300 1 80 15 15 GLU N N 119.702 0.300 1 81 16 16 ARG H H 8.377 0.030 1 82 16 16 ARG HA H 3.988 0.030 1 83 16 16 ARG HB2 H 1.866 0.030 1 84 16 16 ARG HB3 H 1.866 0.030 1 85 16 16 ARG HD2 H 3.236 0.030 2 86 16 16 ARG HD3 H 3.158 0.030 2 87 16 16 ARG HG2 H 1.585 0.030 2 88 16 16 ARG HG3 H 1.698 0.030 2 89 16 16 ARG C C 178.624 0.300 1 90 16 16 ARG CA C 59.288 0.300 1 91 16 16 ARG CB C 29.969 0.300 1 92 16 16 ARG CD C 43.294 0.300 1 93 16 16 ARG CG C 27.782 0.300 1 94 16 16 ARG N N 120.763 0.300 1 95 17 17 HIS H H 8.216 0.030 1 96 17 17 HIS HA H 4.246 0.030 1 97 17 17 HIS HB2 H 3.108 0.030 1 98 17 17 HIS HB3 H 3.108 0.030 1 99 17 17 HIS HD2 H 6.399 0.030 1 100 17 17 HIS HE1 H 7.431 0.030 1 101 17 17 HIS C C 177.371 0.300 1 102 17 17 HIS CA C 60.122 0.300 1 103 17 17 HIS CB C 30.676 0.300 1 104 17 17 HIS CD2 C 117.394 0.300 1 105 17 17 HIS CE1 C 137.595 0.300 1 106 17 17 HIS N N 120.143 0.300 1 107 18 18 LEU H H 8.431 0.030 1 108 18 18 LEU HA H 3.571 0.030 1 109 18 18 LEU HB2 H 1.844 0.030 2 110 18 18 LEU HB3 H 1.311 0.030 2 111 18 18 LEU HD1 H 0.731 0.030 1 112 18 18 LEU HD2 H 0.696 0.030 1 113 18 18 LEU HG H 1.661 0.030 1 114 18 18 LEU C C 178.003 0.300 1 115 18 18 LEU CA C 58.262 0.300 1 116 18 18 LEU CB C 42.244 0.300 1 117 18 18 LEU CD1 C 25.012 0.300 2 118 18 18 LEU CD2 C 23.383 0.300 2 119 18 18 LEU CG C 27.010 0.300 1 120 18 18 LEU N N 118.709 0.300 1 121 19 19 SER H H 8.111 0.030 1 122 19 19 SER HA H 4.318 0.030 1 123 19 19 SER HB2 H 3.949 0.030 1 124 19 19 SER HB3 H 3.949 0.030 1 125 19 19 SER C C 177.284 0.300 1 126 19 19 SER CA C 61.810 0.300 1 127 19 19 SER CB C 62.586 0.300 1 128 19 19 SER N N 112.280 0.300 1 129 20 20 LYS H H 7.720 0.030 1 130 20 20 LYS HA H 4.162 0.030 1 131 20 20 LYS HB2 H 1.979 0.030 2 132 20 20 LYS HB3 H 1.931 0.030 2 133 20 20 LYS HD2 H 1.728 0.030 1 134 20 20 LYS HD3 H 1.728 0.030 1 135 20 20 LYS HE2 H 2.983 0.030 1 136 20 20 LYS HE3 H 2.983 0.030 1 137 20 20 LYS HG2 H 1.493 0.030 2 138 20 20 LYS HG3 H 1.642 0.030 2 139 20 20 LYS C C 179.909 0.300 1 140 20 20 LYS CA C 60.051 0.300 1 141 20 20 LYS CB C 31.882 0.300 1 142 20 20 LYS CD C 29.229 0.300 1 143 20 20 LYS CE C 42.051 0.300 1 144 20 20 LYS CG C 25.119 0.300 1 145 20 20 LYS N N 121.958 0.300 1 146 21 21 MET H H 8.136 0.030 1 147 21 21 MET HA H 4.098 0.030 1 148 21 21 MET HB2 H 1.608 0.030 2 149 21 21 MET HB3 H 2.142 0.030 2 150 21 21 MET HE H 1.853 0.030 1 151 21 21 MET HG2 H 1.928 0.030 2 152 21 21 MET HG3 H 2.268 0.030 2 153 21 21 MET C C 177.496 0.300 1 154 21 21 MET CA C 57.146 0.300 1 155 21 21 MET CB C 33.996 0.300 1 156 21 21 MET CE C 19.097 0.300 1 157 21 21 MET CG C 33.691 0.300 1 158 21 21 MET N N 118.398 0.300 1 159 22 22 GLN H H 8.136 0.030 1 160 22 22 GLN HA H 4.874 0.030 1 161 22 22 GLN HB2 H 2.217 0.030 2 162 22 22 GLN HB3 H 1.808 0.030 2 163 22 22 GLN HE21 H 8.244 0.030 2 164 22 22 GLN HE22 H 6.180 0.030 2 165 22 22 GLN HG2 H 2.336 0.030 2 166 22 22 GLN HG3 H 2.168 0.030 2 167 22 22 GLN C C 178.527 0.300 1 168 22 22 GLN CA C 56.682 0.300 1 169 22 22 GLN CB C 31.695 0.300 1 170 22 22 GLN CG C 34.489 0.300 1 171 22 22 GLN N N 116.090 0.300 1 172 22 22 GLN NE2 N 114.400 0.300 1 173 23 23 GLN H H 8.201 0.030 1 174 23 23 GLN HA H 4.201 0.030 1 175 23 23 GLN HB2 H 2.078 0.030 1 176 23 23 GLN HB3 H 2.078 0.030 1 177 23 23 GLN HE21 H 7.429 0.030 2 178 23 23 GLN HE22 H 6.828 0.030 2 179 23 23 GLN HG2 H 2.398 0.030 2 180 23 23 GLN HG3 H 2.543 0.030 2 181 23 23 GLN C C 176.716 0.300 1 182 23 23 GLN CA C 58.092 0.300 1 183 23 23 GLN CB C 29.696 0.300 1 184 23 23 GLN CG C 34.161 0.300 1 185 23 23 GLN N N 117.158 0.300 1 186 23 23 GLN NE2 N 111.691 0.300 1 187 24 24 ASN H H 8.280 0.030 1 188 24 24 ASN HA H 5.032 0.030 1 189 24 24 ASN HB2 H 2.983 0.030 2 190 24 24 ASN HB3 H 2.812 0.030 2 191 24 24 ASN HD21 H 7.044 0.030 2 192 24 24 ASN HD22 H 7.625 0.030 2 193 24 24 ASN C C 176.069 0.300 1 194 24 24 ASN CA C 53.724 0.300 1 195 24 24 ASN CB C 42.298 0.300 1 196 24 24 ASN N N 113.545 0.300 1 197 24 24 ASN ND2 N 112.751 0.300 1 198 25 25 GLY H H 7.852 0.030 1 199 25 25 GLY HA2 H 4.266 0.030 2 200 25 25 GLY HA3 H 3.984 0.030 2 201 25 25 GLY C C 172.188 0.300 1 202 25 25 GLY CA C 47.154 0.300 1 203 25 25 GLY N N 109.991 0.300 1 204 26 26 TYR H H 8.041 0.030 1 205 26 26 TYR HA H 4.688 0.030 1 206 26 26 TYR HB2 H 2.678 0.030 2 207 26 26 TYR HB3 H 2.456 0.030 2 208 26 26 TYR HD1 H 7.020 0.030 1 209 26 26 TYR HD2 H 7.020 0.030 1 210 26 26 TYR HE1 H 6.900 0.030 1 211 26 26 TYR HE2 H 6.900 0.030 1 212 26 26 TYR C C 173.198 0.300 1 213 26 26 TYR CA C 57.914 0.300 1 214 26 26 TYR CB C 41.476 0.300 1 215 26 26 TYR CD1 C 132.856 0.300 1 216 26 26 TYR CD2 C 132.856 0.300 1 217 26 26 TYR CE1 C 118.679 0.300 1 218 26 26 TYR CE2 C 118.679 0.300 1 219 26 26 TYR N N 120.794 0.300 1 220 27 27 GLU H H 8.283 0.030 1 221 27 27 GLU HA H 4.643 0.030 1 222 27 27 GLU HB2 H 2.050 0.030 2 223 27 27 GLU HB3 H 1.946 0.030 2 224 27 27 GLU HG2 H 2.265 0.030 2 225 27 27 GLU HG3 H 2.568 0.030 2 226 27 27 GLU C C 174.521 0.300 1 227 27 27 GLU CA C 54.709 0.300 1 228 27 27 GLU CB C 30.215 0.300 1 229 27 27 GLU CG C 36.709 0.300 1 230 27 27 GLU N N 128.360 0.300 1 231 28 28 ASN H H 7.080 0.030 1 232 28 28 ASN HA H 4.491 0.030 1 233 28 28 ASN HB2 H 2.618 0.030 2 234 28 28 ASN HB3 H 3.401 0.030 2 235 28 28 ASN HD21 H 6.223 0.030 2 236 28 28 ASN HD22 H 9.327 0.030 2 237 28 28 ASN C C 175.465 0.300 1 238 28 28 ASN CA C 50.759 0.300 1 239 28 28 ASN CB C 39.503 0.300 1 240 28 28 ASN N N 122.254 0.300 1 241 28 28 ASN ND2 N 115.353 0.300 1 242 29 29 PRO HA H 4.128 0.030 1 243 29 29 PRO HB2 H 2.261 0.030 1 244 29 29 PRO HB3 H 2.261 0.030 1 245 29 29 PRO HD2 H 4.199 0.030 1 246 29 29 PRO HD3 H 4.199 0.030 1 247 29 29 PRO HG2 H 2.064 0.030 2 248 29 29 PRO HG3 H 2.125 0.030 2 249 29 29 PRO CA C 64.326 0.300 1 250 29 29 PRO CB C 32.270 0.300 1 251 29 29 PRO CD C 52.016 0.300 1 252 29 29 PRO CG C 27.361 0.300 1 253 30 30 THR H H 8.009 0.030 1 254 30 30 THR HA H 4.098 0.030 1 255 30 30 THR HB H 4.353 0.030 1 256 30 30 THR HG2 H 1.286 0.030 1 257 30 30 THR C C 174.859 0.300 1 258 30 30 THR CA C 64.136 0.300 1 259 30 30 THR CB C 68.558 0.300 1 260 30 30 THR CG2 C 22.654 0.300 1 261 30 30 THR N N 114.238 0.300 1 262 31 31 TYR H H 6.797 0.030 1 263 31 31 TYR HA H 4.433 0.030 1 264 31 31 TYR HB2 H 3.287 0.030 2 265 31 31 TYR HB3 H 3.061 0.030 2 266 31 31 TYR HD1 H 7.345 0.030 1 267 31 31 TYR HD2 H 7.345 0.030 1 268 31 31 TYR HE1 H 6.950 0.030 1 269 31 31 TYR HE2 H 6.950 0.030 1 270 31 31 TYR C C 176.870 0.300 1 271 31 31 TYR CA C 59.723 0.300 1 272 31 31 TYR CB C 38.669 0.300 1 273 31 31 TYR CD1 C 133.758 0.300 1 274 31 31 TYR CD2 C 133.758 0.300 1 275 31 31 TYR CE1 C 117.776 0.300 1 276 31 31 TYR CE2 C 117.776 0.300 1 277 31 31 TYR N N 122.377 0.300 1 278 32 32 LYS H H 7.737 0.030 1 279 32 32 LYS HA H 3.810 0.030 1 280 32 32 LYS HB2 H 1.576 0.030 2 281 32 32 LYS HB3 H 1.498 0.030 2 282 32 32 LYS HD2 H 1.528 0.030 1 283 32 32 LYS HD3 H 1.528 0.030 1 284 32 32 LYS HE2 H 2.857 0.030 1 285 32 32 LYS HE3 H 2.857 0.030 1 286 32 32 LYS HG2 H 1.009 0.030 2 287 32 32 LYS HG3 H 1.184 0.030 2 288 32 32 LYS CA C 58.124 0.300 1 289 32 32 LYS CB C 32.811 0.300 1 290 32 32 LYS CD C 29.181 0.300 1 291 32 32 LYS CE C 42.005 0.300 1 292 32 32 LYS CG C 24.531 0.300 1 293 32 32 LYS N N 121.548 0.300 1 294 33 33 PHE H H 7.258 0.030 1 295 33 33 PHE HA H 4.432 0.030 1 296 33 33 PHE HB2 H 3.128 0.030 2 297 33 33 PHE HB3 H 2.944 0.030 2 298 33 33 PHE HD1 H 6.948 0.030 1 299 33 33 PHE HD2 H 6.948 0.030 1 300 33 33 PHE HE1 H 7.221 0.030 1 301 33 33 PHE HE2 H 7.221 0.030 1 302 33 33 PHE HZ H 7.227 0.030 1 303 33 33 PHE C C 176.413 0.300 1 304 33 33 PHE CA C 58.983 0.300 1 305 33 33 PHE CB C 38.807 0.300 1 306 33 33 PHE CD1 C 131.610 0.300 1 307 33 33 PHE CD2 C 131.610 0.300 1 308 33 33 PHE CE1 C 131.331 0.300 1 309 33 33 PHE CE2 C 131.331 0.300 1 310 33 33 PHE CZ C 129.724 0.300 1 311 34 34 PHE H H 7.785 0.030 1 312 34 34 PHE HA H 4.230 0.030 1 313 34 34 PHE HB2 H 3.030 0.030 2 314 34 34 PHE HB3 H 2.991 0.030 2 315 34 34 PHE HD1 H 7.267 0.030 1 316 34 34 PHE HD2 H 7.267 0.030 1 317 34 34 PHE HE1 H 7.291 0.030 1 318 34 34 PHE HE2 H 7.291 0.030 1 319 34 34 PHE C C 176.998 0.300 1 320 34 34 PHE CA C 60.462 0.300 1 321 34 34 PHE CB C 39.257 0.300 1 322 34 34 PHE CD1 C 132.096 0.300 1 323 34 34 PHE CD2 C 132.096 0.300 1 324 34 34 PHE CE1 C 131.339 0.300 1 325 34 34 PHE CE2 C 131.339 0.300 1 326 34 34 PHE N N 119.745 0.300 1 327 35 35 GLU H H 8.175 0.030 1 328 35 35 GLU HA H 4.003 0.030 1 329 35 35 GLU HB2 H 1.958 0.030 2 330 35 35 GLU HB3 H 1.810 0.030 2 331 35 35 GLU HG2 H 2.043 0.030 1 332 35 35 GLU HG3 H 2.043 0.030 1 333 35 35 GLU C C 177.188 0.300 1 334 35 35 GLU CA C 57.832 0.300 1 335 35 35 GLU CB C 29.869 0.300 1 336 35 35 GLU CG C 36.341 0.300 1 337 35 35 GLU N N 121.501 0.300 1 338 36 36 GLN H H 7.934 0.030 1 339 36 36 GLN HA H 4.167 0.030 1 340 36 36 GLN HB2 H 2.078 0.030 2 341 36 36 GLN HB3 H 2.004 0.030 2 342 36 36 GLN HE21 H 6.840 0.030 2 343 36 36 GLN HE22 H 7.519 0.030 2 344 36 36 GLN HG2 H 2.359 0.030 1 345 36 36 GLN HG3 H 2.359 0.030 1 346 36 36 GLN C C 176.940 0.300 1 347 36 36 GLN CA C 56.682 0.300 1 348 36 36 GLN CB C 28.818 0.300 1 349 36 36 GLN CG C 33.861 0.300 1 350 36 36 GLN N N 118.777 0.300 1 351 36 36 GLN NE2 N 112.165 0.300 1 352 37 37 MET H H 8.034 0.030 1 353 37 37 MET HA H 4.297 0.030 1 354 37 37 MET HB2 H 2.012 0.030 2 355 37 37 MET HB3 H 1.951 0.030 2 356 37 37 MET HE H 1.976 0.030 1 357 37 37 MET HG2 H 2.391 0.030 2 358 37 37 MET HG3 H 2.478 0.030 2 359 37 37 MET C C 176.909 0.300 1 360 37 37 MET CA C 56.295 0.300 1 361 37 37 MET CB C 32.599 0.300 1 362 37 37 MET CE C 17.118 0.300 1 363 37 37 MET CG C 32.028 0.300 1 364 37 37 MET N N 119.906 0.300 1 365 38 38 GLN H H 8.212 0.030 1 366 38 38 GLN HA H 4.207 0.030 1 367 38 38 GLN HB2 H 1.965 0.030 2 368 38 38 GLN HB3 H 2.063 0.030 2 369 38 38 GLN HE21 H 7.438 0.030 2 370 38 38 GLN HE22 H 6.835 0.030 2 371 38 38 GLN HG2 H 2.300 0.030 1 372 38 38 GLN HG3 H 2.300 0.030 1 373 38 38 GLN C C 176.223 0.300 1 374 38 38 GLN CA C 56.435 0.300 1 375 38 38 GLN CB C 29.067 0.300 1 376 38 38 GLN CG C 33.668 0.300 1 377 38 38 GLN N N 120.038 0.300 1 378 38 38 GLN NE2 N 112.541 0.300 1 379 39 39 ASN H H 8.335 0.030 1 380 39 39 ASN HA H 4.724 0.030 1 381 39 39 ASN HB2 H 2.892 0.030 2 382 39 39 ASN HB3 H 2.768 0.030 2 383 39 39 ASN HD21 H 7.016 0.030 2 384 39 39 ASN HD22 H 7.717 0.030 2 385 39 39 ASN C C 175.489 0.300 1 386 39 39 ASN CA C 53.483 0.300 1 387 39 39 ASN CB C 38.763 0.300 1 388 39 39 ASN N N 118.750 0.300 1 389 39 39 ASN ND2 N 112.471 0.300 1 390 40 40 SER H H 8.257 0.030 1 391 40 40 SER HA H 4.511 0.030 1 392 40 40 SER HB2 H 3.895 0.030 1 393 40 40 SER HB3 H 3.895 0.030 1 394 40 40 SER C C 174.932 0.300 1 395 40 40 SER CA C 58.325 0.300 1 396 40 40 SER CB C 63.863 0.300 1 397 40 40 SER N N 115.804 0.300 1 398 53 53 GLY H H 8.210 0.030 1 399 53 53 GLY HA2 H 4.053 0.030 1 400 53 53 GLY HA3 H 4.053 0.030 1 401 53 53 GLY CA C 44.579 0.300 1 402 53 53 GLY N N 110.619 0.300 1 403 54 54 PRO HA H 4.463 0.030 1 404 54 54 PRO HB2 H 1.890 0.030 2 405 54 54 PRO HB3 H 2.228 0.030 2 406 54 54 PRO HD2 H 3.565 0.030 2 407 54 54 PRO HD3 H 3.508 0.030 2 408 54 54 PRO HG2 H 1.962 0.030 1 409 54 54 PRO HG3 H 1.962 0.030 1 410 54 54 PRO C C 177.058 0.300 1 411 54 54 PRO CA C 62.977 0.300 1 412 54 54 PRO CB C 32.180 0.300 1 413 54 54 PRO CD C 49.777 0.300 1 414 54 54 PRO CG C 27.174 0.300 1 415 55 55 THR H H 8.338 0.030 1 416 55 55 THR HA H 4.549 0.030 1 417 55 55 THR HB H 4.110 0.030 1 418 55 55 THR HG2 H 1.237 0.030 1 419 55 55 THR C C 172.873 0.300 1 420 55 55 THR CA C 59.887 0.300 1 421 55 55 THR CB C 69.668 0.300 1 422 55 55 THR CG2 C 21.581 0.300 1 423 55 55 THR N N 117.654 0.300 1 424 56 56 PRO HA H 4.394 0.030 1 425 56 56 PRO HB2 H 1.863 0.030 2 426 56 56 PRO HB3 H 2.286 0.030 2 427 56 56 PRO HD2 H 3.668 0.030 2 428 56 56 PRO HD3 H 3.847 0.030 2 429 56 56 PRO HG2 H 2.021 0.030 2 430 56 56 PRO HG3 H 1.959 0.030 2 431 56 56 PRO C C 176.830 0.300 1 432 56 56 PRO CA C 63.175 0.300 1 433 56 56 PRO CB C 32.106 0.300 1 434 56 56 PRO CD C 51.167 0.300 1 435 56 56 PRO CG C 27.495 0.300 1 436 57 57 LYS H H 8.493 0.030 1 437 57 57 LYS HA H 4.351 0.030 1 438 57 57 LYS HB2 H 1.833 0.030 2 439 57 57 LYS HB3 H 1.757 0.030 2 440 57 57 LYS HD2 H 1.662 0.030 1 441 57 57 LYS HD3 H 1.662 0.030 1 442 57 57 LYS HE2 H 2.964 0.030 1 443 57 57 LYS HE3 H 2.964 0.030 1 444 57 57 LYS HG2 H 1.464 0.030 2 445 57 57 LYS HG3 H 1.414 0.030 2 446 57 57 LYS C C 176.899 0.300 1 447 57 57 LYS CA C 56.435 0.300 1 448 57 57 LYS CB C 33.092 0.300 1 449 57 57 LYS CD C 28.976 0.300 1 450 57 57 LYS CE C 42.216 0.300 1 451 57 57 LYS CG C 24.768 0.300 1 452 57 57 LYS N N 122.279 0.300 1 453 58 58 THR H H 8.252 0.030 1 454 58 58 THR HA H 4.308 0.030 1 455 58 58 THR HB H 4.185 0.030 1 456 58 58 THR HG2 H 1.177 0.030 1 457 58 58 THR C C 174.403 0.300 1 458 58 58 THR CA C 61.897 0.300 1 459 58 58 THR CB C 69.681 0.300 1 460 58 58 THR CG2 C 21.561 0.300 1 461 58 58 THR N N 115.664 0.300 1 462 59 59 GLU H H 8.554 0.030 1 463 59 59 GLU HA H 4.302 0.030 1 464 59 59 GLU HB2 H 2.072 0.030 2 465 59 59 GLU HB3 H 1.882 0.030 2 466 59 59 GLU HG2 H 2.239 0.030 1 467 59 59 GLU HG3 H 2.239 0.030 1 468 59 59 GLU C C 175.990 0.300 1 469 59 59 GLU CA C 56.516 0.300 1 470 59 59 GLU CB C 30.051 0.300 1 471 59 59 GLU CG C 36.318 0.300 1 472 59 59 GLU N N 123.260 0.300 1 473 60 60 LEU H H 8.054 0.030 1 474 60 60 LEU HA H 4.338 0.030 1 475 60 60 LEU HB2 H 1.566 0.030 2 476 60 60 LEU HB3 H 1.523 0.030 2 477 60 60 LEU HD1 H 0.861 0.030 1 478 60 60 LEU HD2 H 0.812 0.030 1 479 60 60 LEU HG H 1.513 0.030 1 480 60 60 LEU C C 176.458 0.300 1 481 60 60 LEU CA C 55.120 0.300 1 482 60 60 LEU CB C 42.601 0.300 1 483 60 60 LEU CD1 C 24.626 0.300 2 484 60 60 LEU CD2 C 23.885 0.300 2 485 60 60 LEU CG C 27.010 0.300 1 486 60 60 LEU N N 123.176 0.300 1 487 61 61 VAL H H 8.219 0.030 1 488 61 61 VAL HA H 4.289 0.030 1 489 61 61 VAL HB H 1.904 0.030 1 490 61 61 VAL HG1 H 0.752 0.030 1 491 61 61 VAL HG2 H 0.865 0.030 1 492 61 61 VAL C C 175.646 0.300 1 493 61 61 VAL CA C 61.860 0.300 1 494 61 61 VAL CB C 33.335 0.300 1 495 61 61 VAL CG1 C 20.845 0.300 2 496 61 61 VAL CG2 C 21.039 0.300 2 497 61 61 VAL N N 123.934 0.300 1 498 62 62 GLN H H 8.297 0.030 1 499 62 62 GLN HA H 4.387 0.030 1 500 62 62 GLN HB2 H 1.841 0.030 1 501 62 62 GLN HB3 H 1.841 0.030 1 502 62 62 GLN HE21 H 6.938 0.030 2 503 62 62 GLN HE22 H 7.498 0.030 2 504 62 62 GLN HG2 H 2.117 0.030 2 505 62 62 GLN HG3 H 2.224 0.030 2 506 62 62 GLN C C 173.313 0.300 1 507 62 62 GLN CA C 55.045 0.300 1 508 62 62 GLN CB C 32.188 0.300 1 509 62 62 GLN CG C 34.361 0.300 1 510 62 62 GLN N N 125.459 0.300 1 511 62 62 GLN NE2 N 111.600 0.300 1 512 63 63 LYS H H 7.792 0.030 1 513 63 63 LYS HA H 5.100 0.030 1 514 63 63 LYS HB2 H 1.520 0.030 2 515 63 63 LYS HB3 H 1.436 0.030 2 516 63 63 LYS HD2 H 1.497 0.030 1 517 63 63 LYS HD3 H 1.497 0.030 1 518 63 63 LYS HE2 H 2.791 0.030 1 519 63 63 LYS HE3 H 2.791 0.030 1 520 63 63 LYS HG2 H 1.156 0.030 2 521 63 63 LYS HG3 H 1.102 0.030 2 522 63 63 LYS C C 175.102 0.300 1 523 63 63 LYS CA C 55.056 0.300 1 524 63 63 LYS CB C 35.257 0.300 1 525 63 63 LYS CD C 29.507 0.300 1 526 63 63 LYS CE C 41.791 0.300 1 527 63 63 LYS CG C 24.544 0.300 1 528 63 63 LYS N N 122.691 0.300 1 529 64 64 PHE H H 8.922 0.030 1 530 64 64 PHE HA H 4.741 0.030 1 531 64 64 PHE HB2 H 3.073 0.030 2 532 64 64 PHE HB3 H 2.590 0.030 2 533 64 64 PHE HD1 H 7.068 0.030 1 534 64 64 PHE HD2 H 7.068 0.030 1 535 64 64 PHE HE1 H 6.886 0.030 1 536 64 64 PHE HE2 H 6.886 0.030 1 537 64 64 PHE HZ H 6.883 0.030 1 538 64 64 PHE C C 174.306 0.300 1 539 64 64 PHE CA C 56.635 0.300 1 540 64 64 PHE CB C 42.873 0.300 1 541 64 64 PHE CD1 C 132.404 0.300 1 542 64 64 PHE CD2 C 132.404 0.300 1 543 64 64 PHE CE1 C 130.184 0.300 1 544 64 64 PHE CE2 C 130.184 0.300 1 545 64 64 PHE CZ C 129.861 0.300 1 546 64 64 PHE N N 122.186 0.300 1 547 65 65 ARG H H 8.874 0.030 1 548 65 65 ARG HA H 5.310 0.030 1 549 65 65 ARG HB2 H 2.000 0.030 2 550 65 65 ARG HB3 H 1.806 0.030 2 551 65 65 ARG HD2 H 3.248 0.030 1 552 65 65 ARG HD3 H 3.248 0.030 1 553 65 65 ARG HE H 7.825 0.030 1 554 65 65 ARG HG2 H 1.639 0.030 1 555 65 65 ARG HG3 H 1.639 0.030 1 556 65 65 ARG C C 176.413 0.300 1 557 65 65 ARG CA C 56.155 0.300 1 558 65 65 ARG CB C 30.051 0.300 1 559 65 65 ARG CD C 43.202 0.300 1 560 65 65 ARG CG C 27.453 0.300 1 561 65 65 ARG N N 126.639 0.300 1 562 65 65 ARG NE N 85.514 0.300 1 563 66 66 VAL H H 8.885 0.030 1 564 66 66 VAL HA H 5.318 0.030 1 565 66 66 VAL HB H 2.822 0.030 1 566 66 66 VAL HG1 H 1.012 0.030 1 567 66 66 VAL HG2 H 0.801 0.030 1 568 66 66 VAL C C 174.751 0.300 1 569 66 66 VAL CA C 59.443 0.300 1 570 66 66 VAL CB C 36.260 0.300 1 571 66 66 VAL CG1 C 24.066 0.300 2 572 66 66 VAL CG2 C 20.106 0.300 2 573 66 66 VAL N N 120.423 0.300 1 574 67 67 GLN H H 9.095 0.030 1 575 67 67 GLN HA H 5.789 0.030 1 576 67 67 GLN HB2 H 2.480 0.030 2 577 67 67 GLN HB3 H 2.258 0.030 2 578 67 67 GLN HE21 H 8.057 0.030 2 579 67 67 GLN HE22 H 6.639 0.030 2 580 67 67 GLN HG2 H 2.518 0.030 1 581 67 67 GLN HG3 H 2.518 0.030 1 582 67 67 GLN C C 175.963 0.300 1 583 67 67 GLN CA C 54.938 0.300 1 584 67 67 GLN CB C 34.407 0.300 1 585 67 67 GLN CG C 36.380 0.300 1 586 67 67 GLN N N 116.418 0.300 1 587 67 67 GLN NE2 N 112.893 0.300 1 588 68 68 TYR H H 8.855 0.030 1 589 68 68 TYR HA H 5.118 0.030 1 590 68 68 TYR HB2 H 2.929 0.030 1 591 68 68 TYR HB3 H 2.929 0.030 1 592 68 68 TYR HD1 H 6.679 0.030 1 593 68 68 TYR HD2 H 6.679 0.030 1 594 68 68 TYR HE1 H 6.534 0.030 1 595 68 68 TYR HE2 H 6.534 0.030 1 596 68 68 TYR C C 173.614 0.300 1 597 68 68 TYR CA C 54.431 0.300 1 598 68 68 TYR CB C 41.394 0.300 1 599 68 68 TYR CD1 C 132.527 0.300 1 600 68 68 TYR CD2 C 132.527 0.300 1 601 68 68 TYR CE1 C 118.007 0.300 1 602 68 68 TYR CE2 C 118.007 0.300 1 603 68 68 TYR N N 123.665 0.300 1 604 69 69 LEU H H 8.354 0.030 1 605 69 69 LEU HA H 3.294 0.030 1 606 69 69 LEU HB2 H 0.896 0.030 2 607 69 69 LEU HB3 H 0.493 0.030 2 608 69 69 LEU HD1 H -0.046 0.030 1 609 69 69 LEU HD2 H -0.014 0.030 1 610 69 69 LEU HG H -0.884 0.030 1 611 69 69 LEU C C 175.652 0.300 1 612 69 69 LEU CA C 58.901 0.300 1 613 69 69 LEU CB C 41.825 0.300 1 614 69 69 LEU CD1 C 25.592 0.300 2 615 69 69 LEU CD2 C 26.510 0.300 2 616 69 69 LEU CG C 30.405 0.300 1 617 69 69 LEU N N 129.862 0.300 1 618 70 70 GLY H H 5.498 0.030 1 619 70 70 GLY HA2 H 4.030 0.030 2 620 70 70 GLY HA3 H 2.299 0.030 2 621 70 70 GLY C C 169.062 0.300 1 622 70 70 GLY CA C 43.284 0.300 1 623 70 70 GLY N N 103.299 0.300 1 624 71 71 MET H H 7.566 0.030 1 625 71 71 MET HA H 5.173 0.030 1 626 71 71 MET HB2 H 1.416 0.030 2 627 71 71 MET HB3 H 1.345 0.030 2 628 71 71 MET HE H 1.874 0.030 1 629 71 71 MET HG2 H 1.960 0.030 2 630 71 71 MET HG3 H 1.616 0.030 2 631 71 71 MET C C 175.591 0.300 1 632 71 71 MET CA C 52.134 0.300 1 633 71 71 MET CB C 34.078 0.300 1 634 71 71 MET CE C 17.504 0.300 1 635 71 71 MET CG C 32.099 0.300 1 636 71 71 MET N N 116.971 0.300 1 637 72 72 LEU H H 8.565 0.030 1 638 72 72 LEU HA H 4.758 0.030 1 639 72 72 LEU HB2 H 1.432 0.030 2 640 72 72 LEU HB3 H 1.100 0.030 2 641 72 72 LEU HD1 H 0.890 0.030 1 642 72 72 LEU HD2 H 0.905 0.030 1 643 72 72 LEU HG H 1.530 0.030 1 644 72 72 LEU C C 174.593 0.300 1 645 72 72 LEU CA C 52.243 0.300 1 646 72 72 LEU CB C 46.673 0.300 1 647 72 72 LEU CD1 C 24.910 0.300 2 648 72 72 LEU CD2 C 26.021 0.300 2 649 72 72 LEU CG C 26.761 0.300 1 650 72 72 LEU N N 125.847 0.300 1 651 73 73 PRO HA H 4.958 0.030 1 652 73 73 PRO HB2 H 2.338 0.030 2 653 73 73 PRO HB3 H 1.895 0.030 2 654 73 73 PRO HD2 H 3.593 0.030 2 655 73 73 PRO HD3 H 3.756 0.030 2 656 73 73 PRO HG2 H 2.103 0.030 2 657 73 73 PRO HG3 H 1.870 0.030 2 658 73 73 PRO C C 176.658 0.300 1 659 73 73 PRO CA C 62.384 0.300 1 660 73 73 PRO CB C 31.859 0.300 1 661 73 73 PRO CD C 51.175 0.300 1 662 73 73 PRO CG C 27.667 0.300 1 663 74 74 VAL H H 8.023 0.030 1 664 74 74 VAL HA H 4.833 0.030 1 665 74 74 VAL HB H 2.138 0.030 1 666 74 74 VAL HG1 H 0.761 0.030 1 667 74 74 VAL HG2 H 0.668 0.030 1 668 74 74 VAL C C 176.162 0.300 1 669 74 74 VAL CA C 59.065 0.300 1 670 74 74 VAL CB C 36.150 0.300 1 671 74 74 VAL CG1 C 23.082 0.300 2 672 74 74 VAL CG2 C 19.202 0.300 2 673 74 74 VAL N N 112.871 0.300 1 674 75 75 ASP H H 8.488 0.030 1 675 75 75 ASP HA H 4.751 0.030 1 676 75 75 ASP HB2 H 2.758 0.030 2 677 75 75 ASP HB3 H 2.727 0.030 2 678 75 75 ASP C C 175.979 0.300 1 679 75 75 ASP CA C 54.873 0.300 1 680 75 75 ASP CB C 41.877 0.300 1 681 75 75 ASP N N 116.938 0.300 1 682 76 76 ARG H H 7.074 0.030 1 683 76 76 ARG HA H 4.550 0.030 1 684 76 76 ARG HB2 H 1.735 0.030 2 685 76 76 ARG HB3 H 1.650 0.030 2 686 76 76 ARG HD2 H 3.118 0.030 1 687 76 76 ARG HD3 H 3.118 0.030 1 688 76 76 ARG HG2 H 1.528 0.030 1 689 76 76 ARG HG3 H 1.528 0.030 1 690 76 76 ARG C C 173.164 0.300 1 691 76 76 ARG CA C 52.389 0.300 1 692 76 76 ARG CB C 32.681 0.300 1 693 76 76 ARG CD C 43.271 0.300 1 694 76 76 ARG CG C 26.413 0.300 1 695 76 76 ARG N N 116.765 0.300 1 696 77 77 PRO HA H 3.467 0.030 1 697 77 77 PRO HB2 H 1.442 0.030 2 698 77 77 PRO HB3 H 1.304 0.030 2 699 77 77 PRO HD2 H 2.918 0.030 2 700 77 77 PRO HD3 H 3.502 0.030 2 701 77 77 PRO HG2 H 1.864 0.030 2 702 77 77 PRO HG3 H 1.748 0.030 2 703 77 77 PRO C C 176.067 0.300 1 704 77 77 PRO CA C 62.209 0.300 1 705 77 77 PRO CB C 31.686 0.300 1 706 77 77 PRO CD C 49.466 0.300 1 707 77 77 PRO CG C 26.036 0.300 1 708 78 78 VAL H H 6.276 0.030 1 709 78 78 VAL HA H 3.683 0.030 1 710 78 78 VAL HB H 1.594 0.030 1 711 78 78 VAL HG1 H 0.706 0.030 1 712 78 78 VAL HG2 H 0.514 0.030 1 713 78 78 VAL C C 174.201 0.300 1 714 78 78 VAL CA C 58.027 0.300 1 715 78 78 VAL CB C 36.906 0.300 1 716 78 78 VAL CG1 C 21.462 0.300 2 717 78 78 VAL CG2 C 18.318 0.300 2 718 78 78 VAL N N 106.784 0.300 1 719 79 79 GLY H H 3.398 0.030 1 720 79 79 GLY HA2 H 4.227 0.030 2 721 79 79 GLY HA3 H 3.172 0.030 2 722 79 79 GLY C C 173.689 0.300 1 723 79 79 GLY CA C 44.666 0.300 1 724 79 79 GLY N N 105.709 0.300 1 725 80 80 MET H H 8.946 0.030 1 726 80 80 MET HA H 4.738 0.030 1 727 80 80 MET HB2 H 2.035 0.030 1 728 80 80 MET HB3 H 2.035 0.030 1 729 80 80 MET HE H 2.058 0.030 1 730 80 80 MET HG2 H 2.459 0.030 2 731 80 80 MET HG3 H 2.598 0.030 2 732 80 80 MET C C 178.872 0.300 1 733 80 80 MET CA C 55.531 0.300 1 734 80 80 MET CB C 29.065 0.300 1 735 80 80 MET CE C 16.072 0.300 1 736 80 80 MET CG C 32.270 0.300 1 737 80 80 MET N N 125.176 0.300 1 738 81 81 ASP H H 8.952 0.030 1 739 81 81 ASP HA H 4.374 0.030 1 740 81 81 ASP HB2 H 2.702 0.030 2 741 81 81 ASP HB3 H 2.607 0.030 2 742 81 81 ASP C C 179.221 0.300 1 743 81 81 ASP CA C 56.896 0.300 1 744 81 81 ASP CB C 38.353 0.300 1 745 81 81 ASP N N 120.202 0.300 1 746 82 82 THR H H 7.489 0.030 1 747 82 82 THR HA H 3.699 0.030 1 748 82 82 THR HB H 3.806 0.030 1 749 82 82 THR HG2 H 1.071 0.030 1 750 82 82 THR C C 176.452 0.300 1 751 82 82 THR CA C 66.216 0.300 1 752 82 82 THR CB C 68.505 0.300 1 753 82 82 THR CG2 C 21.730 0.300 1 754 82 82 THR N N 119.894 0.300 1 755 83 83 LEU H H 7.942 0.030 1 756 83 83 LEU HA H 3.736 0.030 1 757 83 83 LEU HB2 H 1.610 0.030 2 758 83 83 LEU HB3 H 1.856 0.030 2 759 83 83 LEU HD1 H 0.709 0.030 1 760 83 83 LEU HD2 H 0.592 0.030 1 761 83 83 LEU HG H 1.368 0.030 1 762 83 83 LEU C C 178.432 0.300 1 763 83 83 LEU CA C 58.798 0.300 1 764 83 83 LEU CB C 44.208 0.300 1 765 83 83 LEU CD1 C 26.453 0.300 2 766 83 83 LEU CD2 C 25.522 0.300 2 767 83 83 LEU CG C 26.361 0.300 1 768 83 83 LEU N N 122.205 0.300 1 769 84 84 ASN H H 9.103 0.030 1 770 84 84 ASN HA H 4.547 0.030 1 771 84 84 ASN HB2 H 2.928 0.030 2 772 84 84 ASN HB3 H 2.560 0.030 2 773 84 84 ASN HD21 H 7.251 0.030 2 774 84 84 ASN HD22 H 7.688 0.030 2 775 84 84 ASN C C 178.101 0.300 1 776 84 84 ASN CA C 56.598 0.300 1 777 84 84 ASN CB C 38.054 0.300 1 778 84 84 ASN N N 114.788 0.300 1 779 84 84 ASN ND2 N 112.389 0.300 1 780 85 85 SER H H 7.742 0.030 1 781 85 85 SER HA H 4.188 0.030 1 782 85 85 SER HB2 H 3.957 0.030 2 783 85 85 SER HB3 H 3.910 0.030 2 784 85 85 SER C C 176.507 0.300 1 785 85 85 SER CA C 61.789 0.300 1 786 85 85 SER CB C 62.599 0.300 1 787 85 85 SER N N 114.878 0.300 1 788 86 86 ALA H H 7.205 0.030 1 789 86 86 ALA HA H 4.080 0.030 1 790 86 86 ALA HB H 1.291 0.030 1 791 86 86 ALA C C 178.740 0.300 1 792 86 86 ALA CA C 55.051 0.300 1 793 86 86 ALA CB C 18.544 0.300 1 794 86 86 ALA N N 124.168 0.300 1 795 87 87 ILE H H 8.209 0.030 1 796 87 87 ILE HA H 3.321 0.030 1 797 87 87 ILE HB H 1.941 0.030 1 798 87 87 ILE HD1 H 0.637 0.030 1 799 87 87 ILE HG12 H 0.729 0.030 2 800 87 87 ILE HG13 H 1.747 0.030 2 801 87 87 ILE HG2 H 0.927 0.030 1 802 87 87 ILE C C 177.832 0.300 1 803 87 87 ILE CA C 66.472 0.300 1 804 87 87 ILE CB C 39.010 0.300 1 805 87 87 ILE CD1 C 12.943 0.300 1 806 87 87 ILE CG1 C 29.012 0.300 1 807 87 87 ILE CG2 C 17.718 0.300 1 808 87 87 ILE N N 116.772 0.300 1 809 88 88 GLU H H 8.470 0.030 1 810 88 88 GLU HA H 3.899 0.030 1 811 88 88 GLU HB2 H 2.030 0.030 1 812 88 88 GLU HB3 H 2.030 0.030 1 813 88 88 GLU HG2 H 2.340 0.030 2 814 88 88 GLU HG3 H 2.485 0.030 2 815 88 88 GLU C C 179.454 0.300 1 816 88 88 GLU CA C 59.394 0.300 1 817 88 88 GLU CB C 28.900 0.300 1 818 88 88 GLU CG C 36.791 0.300 1 819 88 88 GLU N N 116.179 0.300 1 820 89 89 ASN H H 7.833 0.030 1 821 89 89 ASN HA H 4.336 0.030 1 822 89 89 ASN HB2 H 2.857 0.030 2 823 89 89 ASN HB3 H 2.775 0.030 2 824 89 89 ASN HD21 H 6.773 0.030 2 825 89 89 ASN HD22 H 7.281 0.030 2 826 89 89 ASN C C 178.640 0.300 1 827 89 89 ASN CA C 56.635 0.300 1 828 89 89 ASN CB C 38.846 0.300 1 829 89 89 ASN N N 118.662 0.300 1 830 89 89 ASN ND2 N 111.691 0.300 1 831 90 90 LEU H H 7.940 0.030 1 832 90 90 LEU HA H 4.075 0.030 1 833 90 90 LEU HB2 H 0.961 0.030 2 834 90 90 LEU HB3 H 1.561 0.030 2 835 90 90 LEU HD1 H 0.598 0.030 1 836 90 90 LEU HD2 H 0.228 0.030 1 837 90 90 LEU HG H 1.525 0.030 1 838 90 90 LEU C C 179.821 0.300 1 839 90 90 LEU CA C 57.910 0.300 1 840 90 90 LEU CB C 41.891 0.300 1 841 90 90 LEU CD1 C 22.298 0.300 2 842 90 90 LEU CD2 C 25.411 0.300 2 843 90 90 LEU CG C 26.763 0.300 1 844 90 90 LEU N N 119.764 0.300 1 845 91 91 MET H H 8.594 0.030 1 846 91 91 MET HA H 4.248 0.030 1 847 91 91 MET HB2 H 2.300 0.030 2 848 91 91 MET HB3 H 2.193 0.030 2 849 91 91 MET HE H 2.335 0.030 1 850 91 91 MET HG2 H 2.458 0.030 2 851 91 91 MET HG3 H 2.753 0.030 2 852 91 91 MET C C 177.283 0.300 1 853 91 91 MET CA C 58.668 0.300 1 854 91 91 MET CB C 33.668 0.300 1 855 91 91 MET CE C 17.065 0.300 1 856 91 91 MET CG C 33.030 0.300 1 857 91 91 MET N N 118.402 0.300 1 858 92 92 THR H H 7.766 0.030 1 859 92 92 THR HA H 4.429 0.030 1 860 92 92 THR HB H 4.431 0.030 1 861 92 92 THR HG2 H 1.348 0.030 1 862 92 92 THR C C 175.758 0.300 1 863 92 92 THR CA C 63.494 0.300 1 864 92 92 THR CB C 69.867 0.300 1 865 92 92 THR CG2 C 21.503 0.300 1 866 92 92 THR N N 108.390 0.300 1 867 93 93 SER H H 7.746 0.030 1 868 93 93 SER HA H 4.556 0.030 1 869 93 93 SER HB2 H 4.058 0.030 2 870 93 93 SER HB3 H 3.953 0.030 2 871 93 93 SER C C 173.435 0.300 1 872 93 93 SER CA C 59.087 0.300 1 873 93 93 SER CB C 64.326 0.300 1 874 93 93 SER N N 115.330 0.300 1 875 94 94 SER H H 7.733 0.030 1 876 94 94 SER HA H 4.711 0.030 1 877 94 94 SER HB2 H 4.111 0.030 1 878 94 94 SER HB3 H 4.111 0.030 1 879 94 94 SER C C 172.176 0.300 1 880 94 94 SER CA C 57.668 0.300 1 881 94 94 SER CB C 65.723 0.300 1 882 94 94 SER N N 114.449 0.300 1 883 95 95 SER H H 8.587 0.030 1 884 95 95 SER HA H 4.399 0.030 1 885 95 95 SER HB2 H 3.633 0.030 2 886 95 95 SER HB3 H 3.596 0.030 2 887 95 95 SER C C 173.433 0.300 1 888 95 95 SER CA C 56.874 0.300 1 889 95 95 SER CB C 65.042 0.300 1 890 95 95 SER N N 115.049 0.300 1 891 96 96 LYS H H 7.629 0.030 1 892 96 96 LYS HA H 1.305 0.030 1 893 96 96 LYS HB2 H 0.883 0.030 2 894 96 96 LYS HB3 H 0.714 0.030 2 895 96 96 LYS HD2 H 1.029 0.030 2 896 96 96 LYS HD3 H 0.910 0.030 2 897 96 96 LYS HE2 H 2.275 0.030 2 898 96 96 LYS HE3 H 2.486 0.030 2 899 96 96 LYS HG2 H 0.576 0.030 2 900 96 96 LYS HG3 H 0.718 0.030 2 901 96 96 LYS C C 177.257 0.300 1 902 96 96 LYS CA C 57.132 0.300 1 903 96 96 LYS CB C 32.103 0.300 1 904 96 96 LYS CD C 29.147 0.300 1 905 96 96 LYS CE C 41.558 0.300 1 906 96 96 LYS CG C 23.750 0.300 1 907 96 96 LYS N N 123.310 0.300 1 908 97 97 GLU H H 7.929 0.030 1 909 97 97 GLU HA H 3.768 0.030 1 910 97 97 GLU HB2 H 1.661 0.030 2 911 97 97 GLU HB3 H 1.807 0.030 2 912 97 97 GLU HG2 H 2.096 0.030 2 913 97 97 GLU HG3 H 2.054 0.030 2 914 97 97 GLU C C 176.974 0.300 1 915 97 97 GLU CA C 58.076 0.300 1 916 97 97 GLU CB C 28.654 0.300 1 917 97 97 GLU CG C 36.215 0.300 1 918 97 97 GLU N N 115.347 0.300 1 919 98 98 ASP H H 7.755 0.030 1 920 98 98 ASP HA H 4.561 0.030 1 921 98 98 ASP HB2 H 2.845 0.030 2 922 98 98 ASP HB3 H 2.698 0.030 2 923 98 98 ASP C C 176.773 0.300 1 924 98 98 ASP CA C 54.545 0.300 1 925 98 98 ASP CB C 41.818 0.300 1 926 98 98 ASP N N 117.380 0.300 1 927 99 99 TRP H H 7.017 0.030 1 928 99 99 TRP HA H 5.245 0.030 1 929 99 99 TRP HB2 H 3.378 0.030 2 930 99 99 TRP HB3 H 2.792 0.030 2 931 99 99 TRP HD1 H 6.928 0.030 1 932 99 99 TRP HE1 H 9.869 0.030 1 933 99 99 TRP HE3 H 6.913 0.030 1 934 99 99 TRP HH2 H 6.576 0.030 1 935 99 99 TRP HZ2 H 7.276 0.030 1 936 99 99 TRP HZ3 H 5.871 0.030 1 937 99 99 TRP C C 174.714 0.300 1 938 99 99 TRP CA C 53.075 0.300 1 939 99 99 TRP CB C 28.356 0.300 1 940 99 99 TRP CD1 C 124.789 0.300 1 941 99 99 TRP CE3 C 120.086 0.300 1 942 99 99 TRP CH2 C 123.897 0.300 1 943 99 99 TRP CZ2 C 114.427 0.300 1 944 99 99 TRP CZ3 C 121.553 0.300 1 945 99 99 TRP N N 123.782 0.300 1 946 99 99 TRP NE1 N 129.584 0.300 1 947 100 100 PRO HA H 4.608 0.030 1 948 100 100 PRO HB2 H 2.453 0.030 2 949 100 100 PRO HB3 H 1.998 0.030 2 950 100 100 PRO HD2 H 4.205 0.030 2 951 100 100 PRO HD3 H 4.732 0.030 2 952 100 100 PRO HG2 H 2.300 0.030 2 953 100 100 PRO HG3 H 2.251 0.030 2 954 100 100 PRO C C 176.803 0.300 1 955 100 100 PRO CA C 63.114 0.300 1 956 100 100 PRO CB C 32.517 0.300 1 957 100 100 PRO CD C 51.421 0.300 1 958 100 100 PRO CG C 27.561 0.300 1 959 101 101 SER H H 8.736 0.030 1 960 101 101 SER HA H 5.023 0.030 1 961 101 101 SER HB2 H 3.886 0.030 1 962 101 101 SER HB3 H 3.886 0.030 1 963 101 101 SER C C 174.559 0.300 1 964 101 101 SER CA C 59.162 0.300 1 965 101 101 SER CB C 63.391 0.300 1 966 101 101 SER N N 117.474 0.300 1 967 102 102 VAL H H 9.425 0.030 1 968 102 102 VAL HA H 5.029 0.030 1 969 102 102 VAL HB H 2.139 0.030 1 970 102 102 VAL HG1 H 0.862 0.030 1 971 102 102 VAL HG2 H 0.748 0.030 1 972 102 102 VAL C C 173.595 0.300 1 973 102 102 VAL CA C 58.823 0.300 1 974 102 102 VAL CB C 35.882 0.300 1 975 102 102 VAL CG1 C 22.325 0.300 2 976 102 102 VAL CG2 C 20.599 0.300 2 977 102 102 VAL N N 118.721 0.300 1 978 103 103 ASN H H 9.094 0.030 1 979 103 103 ASN HA H 5.608 0.030 1 980 103 103 ASN HB2 H 2.524 0.030 2 981 103 103 ASN HB3 H 2.410 0.030 2 982 103 103 ASN HD21 H 7.364 0.030 2 983 103 103 ASN HD22 H 6.997 0.030 2 984 103 103 ASN C C 174.222 0.300 1 985 103 103 ASN CA C 52.079 0.300 1 986 103 103 ASN CB C 41.147 0.300 1 987 103 103 ASN N N 117.654 0.300 1 988 103 103 ASN ND2 N 112.872 0.300 1 989 104 104 MET H H 9.598 0.030 1 990 104 104 MET HA H 4.942 0.030 1 991 104 104 MET HB2 H 2.011 0.030 2 992 104 104 MET HB3 H 1.576 0.030 2 993 104 104 MET HE H 0.968 0.030 1 994 104 104 MET HG2 H 1.893 0.030 1 995 104 104 MET HG3 H 1.893 0.030 1 996 104 104 MET C C 173.637 0.300 1 997 104 104 MET CA C 54.380 0.300 1 998 104 104 MET CB C 35.967 0.300 1 999 104 104 MET CE C 15.239 0.300 1 1000 104 104 MET CG C 31.695 0.300 1 1001 104 104 MET N N 124.813 0.300 1 1002 105 105 ASN H H 9.446 0.030 1 1003 105 105 ASN HA H 5.428 0.030 1 1004 105 105 ASN HB2 H 2.733 0.030 2 1005 105 105 ASN HB3 H 2.453 0.030 2 1006 105 105 ASN HD21 H 6.872 0.030 2 1007 105 105 ASN HD22 H 6.606 0.030 2 1008 105 105 ASN C C 174.541 0.300 1 1009 105 105 ASN CA C 51.873 0.300 1 1010 105 105 ASN CB C 40.917 0.300 1 1011 105 105 ASN N N 127.069 0.300 1 1012 105 105 ASN ND2 N 109.493 0.300 1 1013 106 106 VAL H H 9.143 0.030 1 1014 106 106 VAL HA H 4.602 0.030 1 1015 106 106 VAL HB H 2.087 0.030 1 1016 106 106 VAL HG1 H 0.723 0.030 1 1017 106 106 VAL HG2 H 0.758 0.030 1 1018 106 106 VAL C C 174.621 0.300 1 1019 106 106 VAL CA C 61.860 0.300 1 1020 106 106 VAL CB C 32.684 0.300 1 1021 106 106 VAL CG1 C 21.421 0.300 2 1022 106 106 VAL CG2 C 20.745 0.300 2 1023 106 106 VAL N N 124.974 0.300 1 1024 107 107 ALA H H 8.464 0.030 1 1025 107 107 ALA HA H 4.650 0.030 1 1026 107 107 ALA HB H 1.407 0.030 1 1027 107 107 ALA C C 176.366 0.300 1 1028 107 107 ALA CA C 51.586 0.300 1 1029 107 107 ALA CB C 22.290 0.300 1 1030 107 107 ALA N N 128.630 0.300 1 1031 108 108 ASP H H 9.218 0.030 1 1032 108 108 ASP HA H 4.297 0.030 1 1033 108 108 ASP HB2 H 2.544 0.030 2 1034 108 108 ASP HB3 H 2.850 0.030 2 1035 108 108 ASP C C 176.664 0.300 1 1036 108 108 ASP CA C 55.789 0.300 1 1037 108 108 ASP CB C 39.668 0.300 1 1038 108 108 ASP N N 120.623 0.300 1 1039 109 109 ALA H H 9.145 0.030 1 1040 109 109 ALA HA H 4.034 0.030 1 1041 109 109 ALA HB H 1.525 0.030 1 1042 109 109 ALA C C 177.086 0.300 1 1043 109 109 ALA CA C 53.084 0.300 1 1044 109 109 ALA CB C 18.297 0.300 1 1045 109 109 ALA N N 118.697 0.300 1 1046 110 110 THR H H 7.852 0.030 1 1047 110 110 THR HA H 4.930 0.030 1 1048 110 110 THR HB H 4.075 0.030 1 1049 110 110 THR HG2 H 1.031 0.030 1 1050 110 110 THR C C 172.046 0.300 1 1051 110 110 THR CA C 62.514 0.300 1 1052 110 110 THR CB C 72.509 0.300 1 1053 110 110 THR CG2 C 21.339 0.300 1 1054 110 110 THR N N 114.859 0.300 1 1055 111 111 VAL H H 8.830 0.030 1 1056 111 111 VAL HA H 4.702 0.030 1 1057 111 111 VAL HB H 1.712 0.030 1 1058 111 111 VAL HG1 H 0.619 0.030 1 1059 111 111 VAL HG2 H 0.614 0.030 1 1060 111 111 VAL C C 174.639 0.300 1 1061 111 111 VAL CA C 61.309 0.300 1 1062 111 111 VAL CB C 33.421 0.300 1 1063 111 111 VAL CG1 C 20.773 0.300 2 1064 111 111 VAL CG2 C 20.916 0.300 2 1065 111 111 VAL N N 126.852 0.300 1 1066 112 112 THR H H 9.017 0.030 1 1067 112 112 THR HA H 5.069 0.030 1 1068 112 112 THR HB H 3.925 0.030 1 1069 112 112 THR HG2 H 1.268 0.030 1 1070 112 112 THR C C 173.426 0.300 1 1071 112 112 THR CA C 61.202 0.300 1 1072 112 112 THR CB C 70.640 0.300 1 1073 112 112 THR CG2 C 22.818 0.300 1 1074 112 112 THR N N 122.594 0.300 1 1075 113 113 VAL H H 9.132 0.030 1 1076 113 113 VAL HA H 4.858 0.030 1 1077 113 113 VAL HB H 1.909 0.030 1 1078 113 113 VAL HG1 H 0.658 0.030 1 1079 113 113 VAL HG2 H 0.769 0.030 1 1080 113 113 VAL C C 174.364 0.300 1 1081 113 113 VAL CA C 61.284 0.300 1 1082 113 113 VAL CB C 32.599 0.300 1 1083 113 113 VAL CG1 C 21.837 0.300 2 1084 113 113 VAL CG2 C 21.249 0.300 2 1085 113 113 VAL N N 126.744 0.300 1 1086 114 114 ILE H H 9.108 0.030 1 1087 114 114 ILE HA H 4.876 0.030 1 1088 114 114 ILE HB H 1.737 0.030 1 1089 114 114 ILE HD1 H 0.828 0.030 1 1090 114 114 ILE HG12 H 1.459 0.030 2 1091 114 114 ILE HG13 H 1.027 0.030 2 1092 114 114 ILE HG2 H 1.018 0.030 1 1093 114 114 ILE C C 175.449 0.300 1 1094 114 114 ILE CA C 59.887 0.300 1 1095 114 114 ILE CB C 41.646 0.300 1 1096 114 114 ILE CD1 C 13.508 0.300 1 1097 114 114 ILE CG1 C 28.352 0.300 1 1098 114 114 ILE CG2 C 18.277 0.300 1 1099 114 114 ILE N N 128.075 0.300 1 1100 115 115 SER H H 8.454 0.030 1 1101 115 115 SER HA H 4.366 0.030 1 1102 115 115 SER HB2 H 4.148 0.030 2 1103 115 115 SER HB3 H 4.337 0.030 2 1104 115 115 SER C C 175.020 0.300 1 1105 115 115 SER CA C 58.992 0.300 1 1106 115 115 SER CB C 63.917 0.300 1 1107 115 115 SER N N 120.240 0.300 1 1108 116 116 GLU H H 8.343 0.030 1 1109 116 116 GLU HA H 4.188 0.030 1 1110 116 116 GLU HB2 H 1.965 0.030 2 1111 116 116 GLU HB3 H 1.857 0.030 2 1112 116 116 GLU HG2 H 2.201 0.030 1 1113 116 116 GLU HG3 H 2.201 0.030 1 1114 116 116 GLU C C 177.138 0.300 1 1115 116 116 GLU CA C 58.325 0.300 1 1116 116 116 GLU CB C 29.969 0.300 1 1117 116 116 GLU CG C 36.626 0.300 1 1118 116 116 GLU N N 124.509 0.300 1 1119 117 117 LYS H H 8.110 0.030 1 1120 117 117 LYS HA H 4.269 0.030 1 1121 117 117 LYS HB2 H 1.875 0.030 2 1122 117 117 LYS HB3 H 1.785 0.030 2 1123 117 117 LYS HD2 H 1.722 0.030 1 1124 117 117 LYS HD3 H 1.722 0.030 1 1125 117 117 LYS HE2 H 3.038 0.030 1 1126 117 117 LYS HE3 H 3.038 0.030 1 1127 117 117 LYS HG2 H 1.509 0.030 2 1128 117 117 LYS HG3 H 1.443 0.030 2 1129 117 117 LYS C C 176.383 0.300 1 1130 117 117 LYS CA C 56.846 0.300 1 1131 117 117 LYS CB C 33.281 0.300 1 1132 117 117 LYS CD C 29.147 0.300 1 1133 117 117 LYS CE C 42.051 0.300 1 1134 117 117 LYS CG C 25.037 0.300 1 1135 117 117 LYS N N 117.189 0.300 1 1136 118 118 ASN H H 7.476 0.030 1 1137 118 118 ASN HA H 4.714 0.030 1 1138 118 118 ASN HB2 H 2.889 0.030 2 1139 118 118 ASN HB3 H 2.765 0.030 2 1140 118 118 ASN HD21 H 6.927 0.030 2 1141 118 118 ASN HD22 H 7.613 0.030 2 1142 118 118 ASN C C 174.612 0.300 1 1143 118 118 ASN CA C 52.901 0.300 1 1144 118 118 ASN CB C 38.763 0.300 1 1145 118 118 ASN N N 116.258 0.300 1 1146 118 118 ASN ND2 N 113.248 0.300 1 1147 119 119 GLU H H 8.668 0.030 1 1148 119 119 GLU HA H 4.155 0.030 1 1149 119 119 GLU HB2 H 2.071 0.030 2 1150 119 119 GLU HB3 H 1.998 0.030 2 1151 119 119 GLU HG2 H 2.267 0.030 1 1152 119 119 GLU HG3 H 2.267 0.030 1 1153 119 119 GLU C C 175.656 0.300 1 1154 119 119 GLU CA C 57.967 0.300 1 1155 119 119 GLU CB C 29.229 0.300 1 1156 119 119 GLU CG C 36.544 0.300 1 1157 119 119 GLU N N 121.353 0.300 1 1158 120 120 GLU H H 8.041 0.030 1 1159 120 120 GLU HA H 4.190 0.030 1 1160 120 120 GLU HB2 H 2.124 0.030 2 1161 120 120 GLU HB3 H 1.947 0.030 2 1162 120 120 GLU HG2 H 2.267 0.030 2 1163 120 120 GLU HG3 H 2.184 0.030 2 1164 120 120 GLU C C 176.242 0.300 1 1165 120 120 GLU CA C 56.519 0.300 1 1166 120 120 GLU CB C 29.393 0.300 1 1167 120 120 GLU CG C 36.791 0.300 1 1168 120 120 GLU N N 115.570 0.300 1 1169 121 121 GLU H H 7.969 0.030 1 1170 121 121 GLU HA H 4.308 0.030 1 1171 121 121 GLU HB2 H 2.243 0.030 2 1172 121 121 GLU HB3 H 1.896 0.030 2 1173 121 121 GLU HG2 H 2.141 0.030 2 1174 121 121 GLU HG3 H 2.068 0.030 2 1175 121 121 GLU C C 173.922 0.300 1 1176 121 121 GLU CA C 56.191 0.300 1 1177 121 121 GLU CB C 30.236 0.300 1 1178 121 121 GLU CG C 36.298 0.300 1 1179 121 121 GLU N N 122.538 0.300 1 1180 122 122 VAL H H 8.305 0.030 1 1181 122 122 VAL HA H 4.055 0.030 1 1182 122 122 VAL HB H 1.998 0.030 1 1183 122 122 VAL HG1 H 0.782 0.030 1 1184 122 122 VAL HG2 H 0.895 0.030 1 1185 122 122 VAL C C 176.611 0.300 1 1186 122 122 VAL CA C 62.846 0.300 1 1187 122 122 VAL CB C 31.827 0.300 1 1188 122 122 VAL CG1 C 21.645 0.300 2 1189 122 122 VAL CG2 C 21.052 0.300 2 1190 122 122 VAL N N 127.120 0.300 1 1191 123 123 LEU H H 9.056 0.030 1 1192 123 123 LEU HA H 4.349 0.030 1 1193 123 123 LEU HB2 H 1.493 0.030 2 1194 123 123 LEU HB3 H 1.310 0.030 2 1195 123 123 LEU HD1 H 0.898 0.030 1 1196 123 123 LEU HD2 H 0.878 0.030 1 1197 123 123 LEU HG H 1.686 0.030 1 1198 123 123 LEU C C 177.541 0.300 1 1199 123 123 LEU CA C 56.404 0.300 1 1200 123 123 LEU CB C 42.850 0.300 1 1201 123 123 LEU CD1 C 25.890 0.300 2 1202 123 123 LEU CD2 C 23.111 0.300 2 1203 123 123 LEU CG C 27.770 0.300 1 1204 123 123 LEU N N 129.787 0.300 1 1205 124 124 VAL H H 7.357 0.030 1 1206 124 124 VAL HA H 4.194 0.030 1 1207 124 124 VAL HB H 1.722 0.030 1 1208 124 124 VAL HG1 H 0.565 0.030 1 1209 124 124 VAL HG2 H 0.519 0.030 1 1210 124 124 VAL C C 172.809 0.300 1 1211 124 124 VAL CA C 61.280 0.300 1 1212 124 124 VAL CB C 35.722 0.300 1 1213 124 124 VAL CG1 C 21.320 0.300 2 1214 124 124 VAL CG2 C 19.702 0.300 2 1215 124 124 VAL N N 115.073 0.300 1 1216 125 125 GLU H H 8.710 0.030 1 1217 125 125 GLU HA H 4.846 0.030 1 1218 125 125 GLU HB2 H 1.991 0.030 2 1219 125 125 GLU HB3 H 1.780 0.030 2 1220 125 125 GLU HG2 H 1.857 0.030 2 1221 125 125 GLU HG3 H 2.046 0.030 2 1222 125 125 GLU C C 173.762 0.300 1 1223 125 125 GLU CA C 55.531 0.300 1 1224 125 125 GLU CB C 32.106 0.300 1 1225 125 125 GLU CG C 36.870 0.300 1 1226 125 125 GLU N N 127.918 0.300 1 1227 126 126 CYS H H 9.315 0.030 1 1228 126 126 CYS HA H 4.942 0.030 1 1229 126 126 CYS HB2 H 2.861 0.030 2 1230 126 126 CYS HB3 H 2.530 0.030 2 1231 126 126 CYS C C 174.972 0.300 1 1232 126 126 CYS CA C 57.093 0.300 1 1233 126 126 CYS CB C 29.264 0.300 1 1234 126 126 CYS N N 126.943 0.300 1 1235 127 127 ARG H H 9.233 0.030 1 1236 127 127 ARG HA H 4.723 0.030 1 1237 127 127 ARG HB2 H 2.001 0.030 2 1238 127 127 ARG HB3 H 2.159 0.030 2 1239 127 127 ARG HD2 H 3.280 0.030 1 1240 127 127 ARG HD3 H 3.280 0.030 1 1241 127 127 ARG HG2 H 1.907 0.030 1 1242 127 127 ARG HG3 H 1.907 0.030 1 1243 127 127 ARG C C 178.662 0.300 1 1244 127 127 ARG CA C 56.846 0.300 1 1245 127 127 ARG CB C 29.804 0.300 1 1246 127 127 ARG CD C 43.448 0.300 1 1247 127 127 ARG CG C 27.571 0.300 1 1248 127 127 ARG N N 130.534 0.300 1 1249 128 128 VAL H H 8.608 0.030 1 1250 128 128 VAL HA H 3.727 0.030 1 1251 128 128 VAL HB H 2.286 0.030 1 1252 128 128 VAL HG1 H 0.857 0.030 1 1253 128 128 VAL HG2 H 0.958 0.030 1 1254 128 128 VAL C C 176.919 0.300 1 1255 128 128 VAL CA C 66.347 0.300 1 1256 128 128 VAL CB C 30.992 0.300 1 1257 128 128 VAL CG1 C 21.764 0.300 2 1258 128 128 VAL CG2 C 20.434 0.300 2 1259 128 128 VAL N N 122.563 0.300 1 1260 129 129 ARG H H 8.067 0.030 1 1261 129 129 ARG HA H 3.998 0.030 1 1262 129 129 ARG HB2 H 1.642 0.030 2 1263 129 129 ARG HB3 H 1.198 0.030 2 1264 129 129 ARG HD2 H 2.411 0.030 2 1265 129 129 ARG HD3 H 2.617 0.030 2 1266 129 129 ARG HG2 H 1.056 0.030 2 1267 129 129 ARG HG3 H 0.486 0.030 2 1268 129 129 ARG C C 175.384 0.300 1 1269 129 129 ARG CA C 57.997 0.300 1 1270 129 129 ARG CB C 29.393 0.300 1 1271 129 129 ARG CD C 42.913 0.300 1 1272 129 129 ARG CG C 26.008 0.300 1 1273 129 129 ARG N N 118.277 0.300 1 1274 130 130 PHE H H 8.203 0.030 1 1275 130 130 PHE HA H 5.025 0.030 1 1276 130 130 PHE HB2 H 4.411 0.030 2 1277 130 130 PHE HB3 H 2.948 0.030 2 1278 130 130 PHE HD1 H 7.421 0.030 1 1279 130 130 PHE HD2 H 7.421 0.030 1 1280 130 130 PHE HE1 H 7.322 0.030 1 1281 130 130 PHE HE2 H 7.322 0.030 1 1282 130 130 PHE C C 173.057 0.300 1 1283 130 130 PHE CA C 57.838 0.300 1 1284 130 130 PHE CB C 39.421 0.300 1 1285 130 130 PHE CD1 C 131.774 0.300 1 1286 130 130 PHE CD2 C 131.774 0.300 1 1287 130 130 PHE CE1 C 131.311 0.300 1 1288 130 130 PHE CE2 C 131.311 0.300 1 1289 130 130 PHE N N 115.582 0.300 1 1290 131 131 LEU H H 7.813 0.030 1 1291 131 131 LEU HA H 4.833 0.030 1 1292 131 131 LEU HB2 H 1.443 0.030 2 1293 131 131 LEU HB3 H 2.018 0.030 2 1294 131 131 LEU HD1 H 0.254 0.030 1 1295 131 131 LEU HD2 H 0.735 0.030 1 1296 131 131 LEU HG H 1.643 0.030 1 1297 131 131 LEU C C 175.419 0.300 1 1298 131 131 LEU CA C 55.120 0.300 1 1299 131 131 LEU CB C 43.306 0.300 1 1300 131 131 LEU CD1 C 26.367 0.300 2 1301 131 131 LEU CD2 C 25.599 0.300 2 1302 131 131 LEU CG C 28.636 0.300 1 1303 131 131 LEU N N 125.638 0.300 1 1304 132 132 SER H H 8.957 0.030 1 1305 132 132 SER HA H 3.924 0.030 1 1306 132 132 SER HB2 H 3.174 0.030 2 1307 132 132 SER HB3 H 2.267 0.030 2 1308 132 132 SER C C 177.011 0.300 1 1309 132 132 SER CA C 60.506 0.300 1 1310 132 132 SER CB C 62.803 0.300 1 1311 132 132 SER N N 120.706 0.300 1 1312 133 133 PHE H H 7.693 0.030 1 1313 133 133 PHE HA H 5.499 0.030 1 1314 133 133 PHE HB2 H 3.684 0.030 2 1315 133 133 PHE HB3 H 2.616 0.030 2 1316 133 133 PHE HD1 H 7.038 0.030 1 1317 133 133 PHE HD2 H 7.038 0.030 1 1318 133 133 PHE HE1 H 7.269 0.030 1 1319 133 133 PHE HE2 H 7.269 0.030 1 1320 133 133 PHE HZ H 7.398 0.030 1 1321 133 133 PHE C C 172.054 0.300 1 1322 133 133 PHE CA C 57.298 0.300 1 1323 133 133 PHE CB C 46.263 0.300 1 1324 133 133 PHE CE1 C 130.706 0.300 1 1325 133 133 PHE CE2 C 130.706 0.300 1 1326 133 133 PHE N N 124.503 0.300 1 1327 134 134 MET H H 7.612 0.030 1 1328 134 134 MET HA H 5.295 0.030 1 1329 134 134 MET HB2 H 2.059 0.030 2 1330 134 134 MET HB3 H 2.368 0.030 2 1331 134 134 MET HE H 2.018 0.030 1 1332 134 134 MET HG2 H 2.280 0.030 2 1333 134 134 MET HG3 H 2.678 0.030 2 1334 134 134 MET C C 171.242 0.300 1 1335 134 134 MET CA C 54.216 0.300 1 1336 134 134 MET CB C 36.873 0.300 1 1337 134 134 MET CE C 19.798 0.300 1 1338 134 134 MET CG C 31.530 0.300 1 1339 134 134 MET N N 121.840 0.300 1 1340 135 135 GLY H H 8.131 0.030 1 1341 135 135 GLY HA2 H 4.170 0.030 2 1342 135 135 GLY HA3 H 3.793 0.030 2 1343 135 135 GLY C C 169.038 0.300 1 1344 135 135 GLY CA C 46.066 0.300 1 1345 135 135 GLY N N 103.089 0.300 1 1346 136 136 VAL H H 6.869 0.030 1 1347 136 136 VAL HA H 4.915 0.030 1 1348 136 136 VAL HB H 1.281 0.030 1 1349 136 136 VAL HG1 H 1.277 0.030 1 1350 136 136 VAL HG2 H 0.930 0.030 1 1351 136 136 VAL C C 175.010 0.300 1 1352 136 136 VAL CA C 59.641 0.300 1 1353 136 136 VAL CB C 35.700 0.300 1 1354 136 136 VAL CG1 C 20.290 0.300 2 1355 136 136 VAL CG2 C 23.058 0.300 2 1356 136 136 VAL N N 119.165 0.300 1 1357 137 137 GLY H H 7.517 0.030 1 1358 137 137 GLY HA2 H 4.630 0.030 2 1359 137 137 GLY HA3 H 3.731 0.030 2 1360 137 137 GLY C C 172.247 0.300 1 1361 137 137 GLY CA C 44.997 0.300 1 1362 137 137 GLY N N 110.909 0.300 1 1363 138 138 LYS H H 8.096 0.030 1 1364 138 138 LYS HA H 3.808 0.030 1 1365 138 138 LYS HB2 H 1.737 0.030 1 1366 138 138 LYS HB3 H 1.737 0.030 1 1367 138 138 LYS HD2 H 1.654 0.030 1 1368 138 138 LYS HD3 H 1.654 0.030 1 1369 138 138 LYS HE2 H 2.916 0.030 2 1370 138 138 LYS HE3 H 2.969 0.030 2 1371 138 138 LYS HG2 H 1.420 0.030 1 1372 138 138 LYS HG3 H 1.420 0.030 1 1373 138 138 LYS C C 177.987 0.300 1 1374 138 138 LYS CA C 59.190 0.300 1 1375 138 138 LYS CB C 32.349 0.300 1 1376 138 138 LYS CD C 29.065 0.300 1 1377 138 138 LYS CE C 42.133 0.300 1 1378 138 138 LYS CG C 25.119 0.300 1 1379 138 138 LYS N N 117.760 0.300 1 1380 139 139 ASP H H 8.420 0.030 1 1381 139 139 ASP HA H 4.936 0.030 1 1382 139 139 ASP HB2 H 2.450 0.030 2 1383 139 139 ASP HB3 H 2.866 0.030 2 1384 139 139 ASP C C 178.126 0.300 1 1385 139 139 ASP CA C 52.837 0.300 1 1386 139 139 ASP CB C 42.544 0.300 1 1387 139 139 ASP N N 116.588 0.300 1 1388 140 140 VAL H H 8.428 0.030 1 1389 140 140 VAL HA H 3.790 0.030 1 1390 140 140 VAL HB H 2.270 0.030 1 1391 140 140 VAL HG1 H 0.972 0.030 1 1392 140 140 VAL HG2 H 0.677 0.030 1 1393 140 140 VAL C C 175.288 0.300 1 1394 140 140 VAL CA C 63.872 0.300 1 1395 140 140 VAL CB C 31.654 0.300 1 1396 140 140 VAL CG1 C 21.256 0.300 2 1397 140 140 VAL CG2 C 17.611 0.300 2 1398 140 140 VAL N N 121.364 0.300 1 1399 141 141 HIS H H 9.006 0.030 1 1400 141 141 HIS HA H 3.929 0.030 1 1401 141 141 HIS HB2 H 0.641 0.030 2 1402 141 141 HIS HB3 H 1.463 0.030 2 1403 141 141 HIS HD2 H 7.021 0.030 1 1404 141 141 HIS HE1 H 8.629 0.030 1 1405 141 141 HIS C C 176.272 0.300 1 1406 141 141 HIS CA C 58.079 0.300 1 1407 141 141 HIS CB C 25.859 0.300 1 1408 141 141 HIS CD2 C 121.161 0.300 1 1409 141 141 HIS CE1 C 134.674 0.300 1 1410 141 141 HIS N N 117.204 0.300 1 1411 142 142 THR H H 8.477 0.030 1 1412 142 142 THR HA H 5.173 0.030 1 1413 142 142 THR HB H 3.887 0.030 1 1414 142 142 THR HG2 H 1.344 0.030 1 1415 142 142 THR C C 172.226 0.300 1 1416 142 142 THR CA C 60.413 0.300 1 1417 142 142 THR CB C 71.950 0.300 1 1418 142 142 THR CG2 C 24.215 0.300 1 1419 142 142 THR N N 109.496 0.300 1 1420 143 143 PHE H H 8.733 0.030 1 1421 143 143 PHE HA H 5.308 0.030 1 1422 143 143 PHE HB2 H 3.199 0.030 2 1423 143 143 PHE HB3 H 2.439 0.030 2 1424 143 143 PHE HD1 H 6.955 0.030 1 1425 143 143 PHE HD2 H 6.955 0.030 1 1426 143 143 PHE HE1 H 6.978 0.030 1 1427 143 143 PHE HE2 H 6.978 0.030 1 1428 143 143 PHE HZ H 7.183 0.030 1 1429 143 143 PHE C C 172.485 0.300 1 1430 143 143 PHE CA C 54.773 0.300 1 1431 143 143 PHE CB C 44.666 0.300 1 1432 143 143 PHE CD1 C 131.715 0.300 1 1433 143 143 PHE CD2 C 131.715 0.300 1 1434 143 143 PHE CE1 C 130.645 0.300 1 1435 143 143 PHE CE2 C 130.645 0.300 1 1436 143 143 PHE CZ C 129.342 0.300 1 1437 143 143 PHE N N 121.400 0.300 1 1438 144 144 ALA H H 7.998 0.030 1 1439 144 144 ALA HA H 5.478 0.030 1 1440 144 144 ALA HB H 0.996 0.030 1 1441 144 144 ALA C C 174.177 0.300 1 1442 144 144 ALA CA C 49.854 0.300 1 1443 144 144 ALA CB C 25.201 0.300 1 1444 144 144 ALA N N 127.541 0.300 1 1445 145 145 PHE H H 8.033 0.030 1 1446 145 145 PHE HA H 5.460 0.030 1 1447 145 145 PHE HB2 H 3.387 0.030 2 1448 145 145 PHE HB3 H 2.720 0.030 2 1449 145 145 PHE HD1 H 7.048 0.030 1 1450 145 145 PHE HD2 H 7.048 0.030 1 1451 145 145 PHE HE1 H 7.167 0.030 1 1452 145 145 PHE HE2 H 7.167 0.030 1 1453 145 145 PHE HZ H 6.778 0.030 1 1454 145 145 PHE C C 172.464 0.300 1 1455 145 145 PHE CA C 54.991 0.300 1 1456 145 145 PHE CB C 43.107 0.300 1 1457 145 145 PHE CD1 C 132.199 0.300 1 1458 145 145 PHE CD2 C 132.199 0.300 1 1459 145 145 PHE CE1 C 130.891 0.300 1 1460 145 145 PHE CE2 C 130.891 0.300 1 1461 145 145 PHE CZ C 127.733 0.300 1 1462 145 145 PHE N N 111.382 0.300 1 1463 146 146 ILE H H 9.287 0.030 1 1464 146 146 ILE HA H 5.040 0.030 1 1465 146 146 ILE HB H 1.723 0.030 1 1466 146 146 ILE HD1 H 0.605 0.030 1 1467 146 146 ILE HG12 H 0.578 0.030 2 1468 146 146 ILE HG13 H 1.682 0.030 2 1469 146 146 ILE HG2 H 0.848 0.030 1 1470 146 146 ILE C C 173.989 0.300 1 1471 146 146 ILE CA C 60.708 0.300 1 1472 146 146 ILE CB C 39.940 0.300 1 1473 146 146 ILE CD1 C 12.873 0.300 1 1474 146 146 ILE CG1 C 28.626 0.300 1 1475 146 146 ILE CG2 C 18.787 0.300 1 1476 146 146 ILE N N 121.172 0.300 1 1477 147 147 MET H H 9.511 0.030 1 1478 147 147 MET HA H 5.789 0.030 1 1479 147 147 MET HB2 H 2.345 0.030 2 1480 147 147 MET HB3 H 2.311 0.030 2 1481 147 147 MET HE H 2.207 0.030 1 1482 147 147 MET HG2 H 2.696 0.030 1 1483 147 147 MET HG3 H 2.696 0.030 1 1484 147 147 MET C C 174.091 0.300 1 1485 147 147 MET CA C 53.155 0.300 1 1486 147 147 MET CB C 37.898 0.300 1 1487 147 147 MET CE C 17.653 0.300 1 1488 147 147 MET CG C 31.695 0.300 1 1489 147 147 MET N N 123.786 0.300 1 1490 148 148 ASP H H 9.437 0.030 1 1491 148 148 ASP HA H 5.032 0.030 1 1492 148 148 ASP HB2 H 3.570 0.030 2 1493 148 148 ASP HB3 H 2.933 0.030 2 1494 148 148 ASP C C 176.954 0.300 1 1495 148 148 ASP CA C 52.920 0.300 1 1496 148 148 ASP CB C 43.284 0.300 1 1497 148 148 ASP N N 124.506 0.300 1 1498 149 149 THR H H 8.499 0.030 1 1499 149 149 THR HA H 4.278 0.030 1 1500 149 149 THR HB H 4.484 0.030 1 1501 149 149 THR HG2 H 1.206 0.030 1 1502 149 149 THR C C 175.030 0.300 1 1503 149 149 THR CA C 61.989 0.300 1 1504 149 149 THR CB C 68.736 0.300 1 1505 149 149 THR CG2 C 21.996 0.300 1 1506 149 149 THR N N 116.295 0.300 1 1507 150 150 GLY H H 8.955 0.030 1 1508 150 150 GLY HA2 H 4.302 0.030 2 1509 150 150 GLY HA3 H 3.539 0.030 2 1510 150 150 GLY C C 173.977 0.300 1 1511 150 150 GLY CA C 44.681 0.300 1 1512 150 150 GLY N N 113.058 0.300 1 1513 151 151 ASN H H 8.771 0.030 1 1514 151 151 ASN HA H 4.409 0.030 1 1515 151 151 ASN HB2 H 2.581 0.030 2 1516 151 151 ASN HB3 H 2.856 0.030 2 1517 151 151 ASN HD21 H 6.855 0.030 2 1518 151 151 ASN HD22 H 7.486 0.030 2 1519 151 151 ASN C C 173.967 0.300 1 1520 151 151 ASN CA C 53.603 0.300 1 1521 151 151 ASN CB C 37.777 0.300 1 1522 151 151 ASN N N 118.181 0.300 1 1523 151 151 ASN ND2 N 112.977 0.300 1 1524 152 152 GLN H H 9.027 0.030 1 1525 152 152 GLN HA H 3.255 0.030 1 1526 152 152 GLN HB2 H 2.228 0.030 2 1527 152 152 GLN HB3 H 2.147 0.030 2 1528 152 152 GLN HE21 H 7.717 0.030 2 1529 152 152 GLN HE22 H 6.808 0.030 2 1530 152 152 GLN HG2 H 2.269 0.030 1 1531 152 152 GLN HG3 H 2.269 0.030 1 1532 152 152 GLN C C 173.820 0.300 1 1533 152 152 GLN CA C 56.959 0.300 1 1534 152 152 GLN CB C 25.802 0.300 1 1535 152 152 GLN CG C 34.961 0.300 1 1536 152 152 GLN N N 112.274 0.300 1 1537 152 152 GLN NE2 N 112.963 0.300 1 1538 153 153 ARG H H 6.833 0.030 1 1539 153 153 ARG HA H 4.294 0.030 1 1540 153 153 ARG HB2 H 1.659 0.030 1 1541 153 153 ARG HB3 H 1.659 0.030 1 1542 153 153 ARG HD2 H 3.116 0.030 1 1543 153 153 ARG HD3 H 3.116 0.030 1 1544 153 153 ARG HG2 H 1.386 0.030 2 1545 153 153 ARG HG3 H 1.531 0.030 2 1546 153 153 ARG C C 174.805 0.300 1 1547 153 153 ARG CA C 54.627 0.300 1 1548 153 153 ARG CB C 30.207 0.300 1 1549 153 153 ARG CD C 43.284 0.300 1 1550 153 153 ARG CG C 27.105 0.300 1 1551 153 153 ARG N N 118.100 0.300 1 1552 154 154 PHE H H 8.284 0.030 1 1553 154 154 PHE HA H 5.600 0.030 1 1554 154 154 PHE HB2 H 2.831 0.030 2 1555 154 154 PHE HB3 H 2.661 0.030 2 1556 154 154 PHE HD1 H 6.896 0.030 1 1557 154 154 PHE HD2 H 6.896 0.030 1 1558 154 154 PHE HE1 H 7.278 0.030 1 1559 154 154 PHE HE2 H 7.278 0.030 1 1560 154 154 PHE HZ H 7.258 0.030 1 1561 154 154 PHE C C 176.274 0.300 1 1562 154 154 PHE CA C 56.429 0.300 1 1563 154 154 PHE CB C 41.078 0.300 1 1564 154 154 PHE CD1 C 131.456 0.300 1 1565 154 154 PHE CD2 C 131.456 0.300 1 1566 154 154 PHE CE1 C 131.326 0.300 1 1567 154 154 PHE CE2 C 131.326 0.300 1 1568 154 154 PHE CZ C 129.342 0.300 1 1569 154 154 PHE N N 123.410 0.300 1 1570 155 155 GLU H H 9.256 0.030 1 1571 155 155 GLU HA H 4.622 0.030 1 1572 155 155 GLU HB2 H 1.919 0.030 2 1573 155 155 GLU HB3 H 1.658 0.030 2 1574 155 155 GLU HG2 H 2.199 0.030 2 1575 155 155 GLU HG3 H 2.260 0.030 2 1576 155 155 GLU C C 174.186 0.300 1 1577 155 155 GLU CA C 54.873 0.300 1 1578 155 155 GLU CB C 34.128 0.300 1 1579 155 155 GLU CG C 36.453 0.300 1 1580 155 155 GLU N N 121.130 0.300 1 1581 156 156 CYS H H 8.928 0.030 1 1582 156 156 CYS HA H 5.446 0.030 1 1583 156 156 CYS HB2 H 2.616 0.030 2 1584 156 156 CYS HB3 H 2.411 0.030 2 1585 156 156 CYS C C 172.641 0.300 1 1586 156 156 CYS CA C 56.410 0.300 1 1587 156 156 CYS CB C 29.229 0.300 1 1588 156 156 CYS N N 124.128 0.300 1 1589 157 157 HIS H H 8.417 0.030 1 1590 157 157 HIS HA H 4.698 0.030 1 1591 157 157 HIS HB2 H 2.600 0.030 2 1592 157 157 HIS HB3 H 1.719 0.030 2 1593 157 157 HIS HD2 H 6.496 0.030 1 1594 157 157 HIS HE1 H 7.701 0.030 1 1595 157 157 HIS C C 174.289 0.300 1 1596 157 157 HIS CA C 55.613 0.300 1 1597 157 157 HIS CB C 33.996 0.300 1 1598 157 157 HIS CD2 C 116.380 0.300 1 1599 157 157 HIS CE1 C 138.925 0.300 1 1600 157 157 HIS N N 128.812 0.300 1 1601 158 158 VAL H H 7.565 0.030 1 1602 158 158 VAL HA H 4.575 0.030 1 1603 158 158 VAL HB H 1.418 0.030 1 1604 158 158 VAL HG1 H 0.848 0.030 1 1605 158 158 VAL HG2 H 0.599 0.030 1 1606 158 158 VAL C C 173.447 0.300 1 1607 158 158 VAL CA C 61.570 0.300 1 1608 158 158 VAL CB C 33.609 0.300 1 1609 158 158 VAL CG1 C 24.051 0.300 2 1610 158 158 VAL CG2 C 22.571 0.300 2 1611 158 158 VAL N N 119.766 0.300 1 1612 159 159 PHE H H 9.494 0.030 1 1613 159 159 PHE HA H 5.432 0.030 1 1614 159 159 PHE HB2 H 3.211 0.030 2 1615 159 159 PHE HB3 H 2.790 0.030 2 1616 159 159 PHE HD1 H 7.249 0.030 1 1617 159 159 PHE HD2 H 7.249 0.030 1 1618 159 159 PHE HE1 H 6.899 0.030 1 1619 159 159 PHE HE2 H 6.899 0.030 1 1620 159 159 PHE HZ H 6.778 0.030 1 1621 159 159 PHE C C 173.373 0.300 1 1622 159 159 PHE CA C 56.785 0.300 1 1623 159 159 PHE CB C 43.250 0.300 1 1624 159 159 PHE CD1 C 132.363 0.300 1 1625 159 159 PHE CD2 C 132.363 0.300 1 1626 159 159 PHE CE1 C 131.534 0.300 1 1627 159 159 PHE CE2 C 131.534 0.300 1 1628 159 159 PHE CZ C 128.033 0.300 1 1629 159 159 PHE N N 124.075 0.300 1 1630 160 160 TRP H H 9.298 0.030 1 1631 160 160 TRP HA H 4.887 0.030 1 1632 160 160 TRP HB2 H 3.206 0.030 2 1633 160 160 TRP HB3 H 2.914 0.030 2 1634 160 160 TRP HD1 H 7.299 0.030 1 1635 160 160 TRP HE1 H 10.657 0.030 1 1636 160 160 TRP HE3 H 7.240 0.030 1 1637 160 160 TRP HH2 H 7.158 0.030 1 1638 160 160 TRP HZ2 H 6.556 0.030 1 1639 160 160 TRP HZ3 H 7.008 0.030 1 1640 160 160 TRP C C 176.115 0.300 1 1641 160 160 TRP CA C 56.846 0.300 1 1642 160 160 TRP CB C 31.239 0.300 1 1643 160 160 TRP CD1 C 127.288 0.300 1 1644 160 160 TRP CE3 C 120.457 0.300 1 1645 160 160 TRP CH2 C 124.611 0.300 1 1646 160 160 TRP CZ2 C 114.154 0.300 1 1647 160 160 TRP CZ3 C 121.407 0.300 1 1648 160 160 TRP N N 122.425 0.300 1 1649 160 160 TRP NE1 N 131.726 0.300 1 1650 161 161 CYS H H 9.319 0.030 1 1651 161 161 CYS HA H 4.824 0.030 1 1652 161 161 CYS HB2 H 2.804 0.030 2 1653 161 161 CYS HB3 H 2.383 0.030 2 1654 161 161 CYS C C 172.985 0.300 1 1655 161 161 CYS CA C 57.093 0.300 1 1656 161 161 CYS CB C 30.800 0.300 1 1657 161 161 CYS N N 129.675 0.300 1 1658 162 162 GLU H H 8.824 0.030 1 1659 162 162 GLU HA H 4.679 0.030 1 1660 162 162 GLU HB2 H 1.934 0.030 2 1661 162 162 GLU HB3 H 2.165 0.030 2 1662 162 162 GLU HG2 H 2.649 0.030 2 1663 162 162 GLU HG3 H 2.490 0.030 2 1664 162 162 GLU C C 176.749 0.300 1 1665 162 162 GLU CA C 53.229 0.300 1 1666 162 162 GLU CB C 30.955 0.300 1 1667 162 162 GLU CG C 35.030 0.300 1 1668 162 162 GLU N N 120.027 0.300 1 1669 163 163 PRO HA H 5.096 0.030 1 1670 163 163 PRO HB2 H 2.491 0.030 2 1671 163 163 PRO HB3 H 2.152 0.030 2 1672 163 163 PRO HD2 H 3.577 0.030 2 1673 163 163 PRO HD3 H 3.888 0.030 2 1674 163 163 PRO HG2 H 2.108 0.030 2 1675 163 163 PRO HG3 H 1.788 0.030 2 1676 163 163 PRO C C 175.326 0.300 1 1677 163 163 PRO CA C 64.284 0.300 1 1678 163 163 PRO CB C 33.832 0.300 1 1679 163 163 PRO CD C 49.821 0.300 1 1680 163 163 PRO CG C 24.708 0.300 1 1681 164 164 ASN H H 7.399 0.030 1 1682 164 164 ASN HA H 3.833 0.030 1 1683 164 164 ASN HB2 H 2.932 0.030 2 1684 164 164 ASN HB3 H 2.244 0.030 2 1685 164 164 ASN HD21 H 7.806 0.030 2 1686 164 164 ASN HD22 H 7.331 0.030 2 1687 164 164 ASN C C 174.378 0.300 1 1688 164 164 ASN CA C 52.490 0.300 1 1689 164 164 ASN CB C 38.517 0.300 1 1690 164 164 ASN N N 110.808 0.300 1 1691 164 164 ASN ND2 N 117.655 0.300 1 1692 165 165 ALA H H 8.575 0.030 1 1693 165 165 ALA HA H 4.185 0.030 1 1694 165 165 ALA HB H 1.270 0.030 1 1695 165 165 ALA C C 177.735 0.300 1 1696 165 165 ALA CA C 52.579 0.300 1 1697 165 165 ALA CB C 20.681 0.300 1 1698 165 165 ALA N N 116.029 0.300 1 1699 166 166 ALA H H 9.089 0.030 1 1700 166 166 ALA HA H 3.583 0.030 1 1701 166 166 ALA HB H 1.387 0.030 1 1702 166 166 ALA C C 177.664 0.300 1 1703 166 166 ALA CA C 57.665 0.300 1 1704 166 166 ALA CB C 18.288 0.300 1 1705 166 166 ALA N N 125.400 0.300 1 1706 167 167 ASN H H 8.473 0.030 1 1707 167 167 ASN HA H 4.253 0.030 1 1708 167 167 ASN HB2 H 2.856 0.030 2 1709 167 167 ASN HB3 H 2.752 0.030 2 1710 167 167 ASN HD21 H 7.005 0.030 2 1711 167 167 ASN HD22 H 7.674 0.030 2 1712 167 167 ASN C C 178.191 0.300 1 1713 167 167 ASN CA C 56.271 0.300 1 1714 167 167 ASN CB C 37.228 0.300 1 1715 167 167 ASN N N 116.543 0.300 1 1716 167 167 ASN ND2 N 111.279 0.300 1 1717 168 168 VAL H H 8.159 0.030 1 1718 168 168 VAL HA H 2.179 0.030 1 1719 168 168 VAL HB H 1.058 0.030 1 1720 168 168 VAL HG1 H -0.169 0.030 1 1721 168 168 VAL HG2 H 0.146 0.030 1 1722 168 168 VAL C C 176.115 0.300 1 1723 168 168 VAL CA C 65.420 0.300 1 1724 168 168 VAL CB C 31.639 0.300 1 1725 168 168 VAL CG1 C 20.845 0.300 2 1726 168 168 VAL CG2 C 22.900 0.300 2 1727 168 168 VAL N N 121.938 0.300 1 1728 169 169 SER H H 7.273 0.030 1 1729 169 169 SER HA H 3.179 0.030 1 1730 169 169 SER HB2 H 3.654 0.030 2 1731 169 169 SER HB3 H 3.566 0.030 2 1732 169 169 SER C C 176.134 0.300 1 1733 169 169 SER CA C 61.120 0.300 1 1734 169 169 SER CB C 63.586 0.300 1 1735 169 169 SER N N 111.883 0.300 1 1736 170 170 GLU H H 7.889 0.030 1 1737 170 170 GLU HA H 3.636 0.030 1 1738 170 170 GLU HB2 H 1.740 0.030 2 1739 170 170 GLU HB3 H 1.457 0.030 2 1740 170 170 GLU HG2 H 1.825 0.030 2 1741 170 170 GLU HG3 H 1.679 0.030 2 1742 170 170 GLU C C 178.121 0.300 1 1743 170 170 GLU CA C 59.805 0.300 1 1744 170 170 GLU CB C 29.393 0.300 1 1745 170 170 GLU CG C 35.887 0.300 1 1746 170 170 GLU N N 122.402 0.300 1 1747 171 171 ALA H H 7.452 0.030 1 1748 171 171 ALA HA H 4.047 0.030 1 1749 171 171 ALA HB H 1.418 0.030 1 1750 171 171 ALA C C 180.004 0.300 1 1751 171 171 ALA CA C 54.798 0.300 1 1752 171 171 ALA CB C 19.113 0.300 1 1753 171 171 ALA N N 121.178 0.300 1 1754 172 172 VAL H H 7.949 0.030 1 1755 172 172 VAL HA H 3.310 0.030 1 1756 172 172 VAL HB H 1.833 0.030 1 1757 172 172 VAL HG1 H 0.698 0.030 1 1758 172 172 VAL HG2 H 0.699 0.030 1 1759 172 172 VAL C C 177.766 0.300 1 1760 172 172 VAL CA C 66.942 0.300 1 1761 172 172 VAL CB C 31.037 0.300 1 1762 172 172 VAL CG1 C 22.791 0.300 2 1763 172 172 VAL CG2 C 23.527 0.300 2 1764 172 172 VAL N N 117.814 0.300 1 1765 173 173 GLN H H 8.008 0.030 1 1766 173 173 GLN HA H 3.595 0.030 1 1767 173 173 GLN HB2 H 1.925 0.030 2 1768 173 173 GLN HB3 H 1.793 0.030 2 1769 173 173 GLN HE21 H 5.668 0.030 2 1770 173 173 GLN HE22 H 6.417 0.030 2 1771 173 173 GLN HG2 H 1.592 0.030 2 1772 173 173 GLN HG3 H 1.078 0.030 2 1773 173 173 GLN C C 178.634 0.300 1 1774 173 173 GLN CA C 60.094 0.300 1 1775 173 173 GLN CB C 28.489 0.300 1 1776 173 173 GLN CG C 32.809 0.300 1 1777 173 173 GLN N N 119.551 0.300 1 1778 173 173 GLN NE2 N 108.458 0.300 1 1779 174 174 ALA H H 7.938 0.030 1 1780 174 174 ALA HA H 4.039 0.030 1 1781 174 174 ALA HB H 1.409 0.030 1 1782 174 174 ALA C C 177.673 0.300 1 1783 174 174 ALA CA C 53.804 0.300 1 1784 174 174 ALA CB C 18.172 0.300 1 1785 174 174 ALA N N 119.299 0.300 1 1786 175 175 ALA H H 7.318 0.030 1 1787 175 175 ALA HA H 4.273 0.030 1 1788 175 175 ALA HB H 1.342 0.030 1 1789 175 175 ALA C C 177.167 0.300 1 1790 175 175 ALA CA C 52.325 0.300 1 1791 175 175 ALA CB C 18.989 0.300 1 1792 175 175 ALA N N 119.890 0.300 1 1793 176 176 CYS H H 7.099 0.030 1 1794 176 176 CYS HA H 4.065 0.030 1 1795 176 176 CYS HB2 H 3.177 0.030 2 1796 176 176 CYS HB3 H 3.308 0.030 2 1797 176 176 CYS C C 179.582 0.300 1 1798 176 176 CYS CA C 63.093 0.300 1 1799 176 176 CYS CB C 29.298 0.300 1 1800 176 176 CYS N N 121.001 0.300 1 stop_ save_