data_10239 ####################### # 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 10239 _BMRB_flat_file_name bmr10239.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 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 978 "13C chemical shifts" 725 "15N chemical shifts" 179 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 185 _Mol_residue_sequence ; GSSGSSGDAAVTPEERHLSK MQQNGYENPTYKFFEQMQNS GPSSGIEGRGSSGSSGSSGS SGPTPKTELVQKFRVQYLGM LPVDRPVGMDTLNSAIENLM TSSSKEDWPSVNMNVADATV TVISEKNEEEVLVECRVRFL SFMGVGKDVHTFAFIMDTGN QRFECHVFWCEPNAANVSEA VQAAC ; 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 PRO 43 SER 44 SER 45 GLY 46 ILE 47 GLU 48 GLY 49 ARG 50 GLY 51 SER 52 SER 53 GLY 54 SER 55 SER 56 GLY 57 SER 58 SER 59 GLY 60 SER 61 SER 62 GLY 63 PRO 64 THR 65 PRO 66 LYS 67 THR 68 GLU 69 LEU 70 VAL 71 GLN 72 LYS 73 PHE 74 ARG 75 VAL 76 GLN 77 TYR 78 LEU 79 GLY 80 MET 81 LEU 82 PRO 83 VAL 84 ASP 85 ARG 86 PRO 87 VAL 88 GLY 89 MET 90 ASP 91 THR 92 LEU 93 ASN 94 SER 95 ALA 96 ILE 97 GLU 98 ASN 99 LEU 100 MET 101 THR 102 SER 103 SER 104 SER 105 LYS 106 GLU 107 ASP 108 TRP 109 PRO 110 SER 111 VAL 112 ASN 113 MET 114 ASN 115 VAL 116 ALA 117 ASP 118 ALA 119 THR 120 VAL 121 THR 122 VAL 123 ILE 124 SER 125 GLU 126 LYS 127 ASN 128 GLU 129 GLU 130 GLU 131 VAL 132 LEU 133 VAL 134 GLU 135 CYS 136 ARG 137 VAL 138 ARG 139 PHE 140 LEU 141 SER 142 PHE 143 MET 144 GLY 145 VAL 146 GLY 147 LYS 148 ASP 149 VAL 150 HIS 151 THR 152 PHE 153 ALA 154 PHE 155 ILE 156 MET 157 ASP 158 THR 159 GLY 160 ASN 161 GLN 162 ARG 163 PHE 164 GLU 165 CYS 166 HIS 167 VAL 168 PHE 169 TRP 170 CYS 171 GLU 172 PRO 173 ASN 174 ALA 175 ALA 176 ASN 177 VAL 178 SER 179 GLU 180 ALA 181 VAL 182 GLN 183 ALA 184 ALA 185 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" 70.27 136 100.00 100.00 1.65e-90 PDB 1WGU "Solution Structure Of The C-Terminal Phosphotyrosine Interaction Domain Of Apbb2 From Mouse" 70.27 136 100.00 100.00 1.65e-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" 70.27 136 100.00 100.00 1.65e-90 PDB 2YT1 "Solution Structure Of The Chimera Of The C-Terminal Tail Peptide Of App And The C-Terminal Pid Domain Of Fe65l" 100.00 185 100.00 100.00 1.68e-133 DBJ BAB23568 "unnamed protein product [Mus musculus]" 66.49 760 100.00 100.00 7.80e-80 DBJ BAE31851 "unnamed protein product [Mus musculus]" 66.49 738 100.00 100.00 4.42e-80 DBJ BAE39700 "unnamed protein product [Mus musculus]" 66.49 758 100.00 100.00 6.39e-80 DBJ BAE41482 "unnamed protein product [Mus musculus]" 66.49 736 100.00 100.00 3.80e-80 DBJ BAE42990 "unnamed protein product [Mus musculus]" 66.49 210 100.00 100.00 9.60e-86 GB AAH76587 "Apbb2 protein [Mus musculus]" 66.49 737 100.00 100.00 3.99e-80 GB EDL37768 "amyloid beta (A4) precursor protein-binding, family B, member 2, isoform CRA_a [Mus musculus]" 66.49 731 100.00 100.00 5.19e-80 GB EDL90042 "similar to amyloid beta (A4) precursor protein-binding, family B, member 2 (predicted) [Rattus norvegicus]" 66.49 731 97.56 99.19 1.20e-78 GB EGW02447 "Amyloid beta A4 precursor protein-binding family B member 2, partial [Cricetulus griseus]" 66.49 468 97.56 99.19 1.15e-79 GB ERE91473 "amyloid beta A4 precursor protein-binding family B member 2 [Cricetulus griseus]" 66.49 742 97.56 99.19 4.41e-78 REF NP_001188342 "amyloid beta A4 precursor protein-binding family B member 2 isoform 2 [Mus musculus]" 66.49 758 100.00 100.00 6.39e-80 REF NP_001188343 "amyloid beta A4 precursor protein-binding family B member 2 isoform 3 [Mus musculus]" 66.49 738 100.00 100.00 3.94e-80 REF NP_001188344 "amyloid beta A4 precursor protein-binding family B member 2 isoform 4 [Mus musculus]" 66.49 737 100.00 100.00 3.99e-80 REF NP_001188345 "amyloid beta A4 precursor protein-binding family B member 2 isoform 5 [Mus musculus]" 66.49 210 100.00 100.00 9.60e-86 REF NP_001297555 "amyloid beta A4 precursor protein-binding family B member 2 isoform 6 [Mus musculus]" 66.49 736 100.00 100.00 3.80e-80 SP Q9DBR4 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 2" 66.49 760 100.00 100.00 7.80e-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 P060710-08 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 1.00 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 3.960 0.030 1 2 7 7 GLY HA3 H 3.960 0.030 1 3 7 7 GLY C C 174.105 0.300 1 4 7 7 GLY CA C 45.417 0.300 1 5 8 8 ASP H H 8.190 0.030 1 6 8 8 ASP HA H 4.558 0.030 1 7 8 8 ASP HB2 H 2.678 0.030 2 8 8 8 ASP HB3 H 2.589 0.030 2 9 8 8 ASP C C 176.163 0.300 1 10 8 8 ASP CA C 54.454 0.300 1 11 8 8 ASP CB C 41.143 0.300 1 12 8 8 ASP N N 120.774 0.300 1 13 9 9 ALA H H 8.177 0.030 1 14 9 9 ALA HA H 4.267 0.030 1 15 9 9 ALA HB H 1.372 0.030 1 16 9 9 ALA C C 177.374 0.300 1 17 9 9 ALA CA C 52.503 0.300 1 18 9 9 ALA CB C 19.239 0.300 1 19 9 9 ALA N N 123.928 0.300 1 20 10 10 ALA H H 8.200 0.030 1 21 10 10 ALA HA H 4.304 0.030 1 22 10 10 ALA HB H 1.344 0.030 1 23 10 10 ALA C C 177.568 0.300 1 24 10 10 ALA CA C 52.157 0.300 1 25 10 10 ALA CB C 19.140 0.300 1 26 10 10 ALA N N 123.120 0.300 1 27 11 11 VAL H H 8.015 0.030 1 28 11 11 VAL HA H 4.264 0.030 1 29 11 11 VAL HB H 2.076 0.030 1 30 11 11 VAL HG1 H 0.941 0.030 1 31 11 11 VAL HG2 H 0.933 0.030 1 32 11 11 VAL C C 176.624 0.300 1 33 11 11 VAL CA C 61.856 0.300 1 34 11 11 VAL CB C 33.243 0.300 1 35 11 11 VAL CG1 C 21.527 0.300 2 36 11 11 VAL CG2 C 20.595 0.300 2 37 11 11 VAL N N 119.612 0.300 1 38 12 12 THR H H 8.467 0.030 1 39 12 12 THR HA H 4.654 0.030 1 40 12 12 THR HB H 4.645 0.030 1 41 12 12 THR HG2 H 1.334 0.030 1 42 12 12 THR C C 173.596 0.300 1 43 12 12 THR CA C 60.212 0.300 1 44 12 12 THR CB C 68.843 0.300 1 45 12 12 THR CG2 C 21.977 0.300 1 46 12 12 THR N N 117.689 0.300 1 47 13 13 PRO HA H 4.185 0.030 1 48 13 13 PRO HB2 H 2.354 0.030 2 49 13 13 PRO HB3 H 1.934 0.030 2 50 13 13 PRO HD2 H 3.900 0.030 1 51 13 13 PRO HD3 H 3.900 0.030 1 52 13 13 PRO HG2 H 2.006 0.030 2 53 13 13 PRO HG3 H 2.197 0.030 2 54 13 13 PRO C C 179.360 0.300 1 55 13 13 PRO CA C 65.637 0.300 1 56 13 13 PRO CB C 31.726 0.300 1 57 13 13 PRO CD C 50.451 0.300 1 58 13 13 PRO CG C 27.992 0.300 1 59 14 14 GLU H H 8.559 0.030 1 60 14 14 GLU HA H 4.038 0.030 1 61 14 14 GLU HB2 H 2.068 0.030 2 62 14 14 GLU HB3 H 1.796 0.030 2 63 14 14 GLU HG2 H 2.096 0.030 1 64 14 14 GLU HG3 H 2.096 0.030 1 65 14 14 GLU C C 178.053 0.300 1 66 14 14 GLU CA C 59.965 0.300 1 67 14 14 GLU CB C 29.883 0.300 1 68 14 14 GLU CG C 37.210 0.300 1 69 14 14 GLU N N 118.957 0.300 1 70 15 15 GLU H H 7.793 0.030 1 71 15 15 GLU HA H 3.913 0.030 1 72 15 15 GLU HB2 H 1.989 0.030 2 73 15 15 GLU HB3 H 2.242 0.030 2 74 15 15 GLU HG2 H 2.315 0.030 2 75 15 15 GLU HG3 H 2.234 0.030 2 76 15 15 GLU C C 179.651 0.300 1 77 15 15 GLU CA C 59.061 0.300 1 78 15 15 GLU CB C 29.898 0.300 1 79 15 15 GLU CG C 37.198 0.300 1 80 15 15 GLU N N 119.699 0.300 1 81 16 16 ARG H H 8.376 0.030 1 82 16 16 ARG HA H 3.989 0.030 1 83 16 16 ARG HB2 H 1.864 0.030 1 84 16 16 ARG HB3 H 1.864 0.030 1 85 16 16 ARG HD2 H 3.232 0.030 2 86 16 16 ARG HD3 H 3.156 0.030 2 87 16 16 ARG HG2 H 1.581 0.030 2 88 16 16 ARG HG3 H 1.701 0.030 2 89 16 16 ARG C C 178.634 0.300 1 90 16 16 ARG CA C 59.293 0.300 1 91 16 16 ARG CB C 30.129 0.300 1 92 16 16 ARG CD C 43.290 0.300 1 93 16 16 ARG CG C 27.778 0.300 1 94 16 16 ARG N N 120.756 0.300 1 95 17 17 HIS H H 8.210 0.030 1 96 17 17 HIS HA H 4.242 0.030 1 97 17 17 HIS HB2 H 3.104 0.030 1 98 17 17 HIS HB3 H 3.104 0.030 1 99 17 17 HIS HD2 H 6.400 0.030 1 100 17 17 HIS HE1 H 7.430 0.030 1 101 17 17 HIS C C 177.350 0.300 1 102 17 17 HIS CA C 60.130 0.300 1 103 17 17 HIS CB C 30.708 0.300 1 104 17 17 HIS CD2 C 117.390 0.300 1 105 17 17 HIS CE1 C 137.591 0.300 1 106 17 17 HIS N N 120.134 0.300 1 107 18 18 LEU H H 8.427 0.030 1 108 18 18 LEU HA H 3.569 0.030 1 109 18 18 LEU HB2 H 1.844 0.030 2 110 18 18 LEU HB3 H 1.304 0.030 2 111 18 18 LEU HD1 H 0.730 0.030 1 112 18 18 LEU HD2 H 0.698 0.030 1 113 18 18 LEU HG H 1.663 0.030 1 114 18 18 LEU C C 178.028 0.300 1 115 18 18 LEU CA C 58.276 0.300 1 116 18 18 LEU CB C 42.246 0.300 1 117 18 18 LEU CD1 C 25.008 0.300 2 118 18 18 LEU CD2 C 23.379 0.300 2 119 18 18 LEU CG C 27.006 0.300 1 120 18 18 LEU N N 118.713 0.300 1 121 19 19 SER H H 8.107 0.030 1 122 19 19 SER HA H 4.315 0.030 1 123 19 19 SER HB2 H 3.941 0.030 1 124 19 19 SER HB3 H 3.941 0.030 1 125 19 19 SER C C 177.205 0.300 1 126 19 19 SER CA C 61.783 0.300 1 127 19 19 SER CB C 62.675 0.300 1 128 19 19 SER N N 112.280 0.300 1 129 20 20 LYS H H 7.719 0.030 1 130 20 20 LYS HA H 4.161 0.030 1 131 20 20 LYS HB2 H 1.975 0.030 2 132 20 20 LYS HB3 H 1.937 0.030 2 133 20 20 LYS HD2 H 1.724 0.030 1 134 20 20 LYS HD3 H 1.724 0.030 1 135 20 20 LYS HE2 H 2.979 0.030 1 136 20 20 LYS HE3 H 2.979 0.030 1 137 20 20 LYS HG2 H 1.492 0.030 2 138 20 20 LYS HG3 H 1.640 0.030 2 139 20 20 LYS C C 179.918 0.300 1 140 20 20 LYS CA C 59.965 0.300 1 141 20 20 LYS CB C 31.937 0.300 1 142 20 20 LYS CD C 29.225 0.300 1 143 20 20 LYS CE C 42.047 0.300 1 144 20 20 LYS CG C 25.115 0.300 1 145 20 20 LYS N N 121.959 0.300 1 146 21 21 MET H H 8.132 0.030 1 147 21 21 MET HA H 4.094 0.030 1 148 21 21 MET HB2 H 1.604 0.030 2 149 21 21 MET HB3 H 2.138 0.030 2 150 21 21 MET HE H 1.853 0.030 1 151 21 21 MET HG2 H 1.932 0.030 2 152 21 21 MET HG3 H 2.264 0.030 2 153 21 21 MET C C 177.520 0.300 1 154 21 21 MET CA C 57.109 0.300 1 155 21 21 MET CB C 34.006 0.300 1 156 21 21 MET CE C 19.093 0.300 1 157 21 21 MET CG C 33.687 0.300 1 158 21 21 MET N N 118.389 0.300 1 159 22 22 GLN H H 8.128 0.030 1 160 22 22 GLN HA H 4.877 0.030 1 161 22 22 GLN HB2 H 2.213 0.030 2 162 22 22 GLN HB3 H 1.804 0.030 2 163 22 22 GLN HE21 H 8.240 0.030 2 164 22 22 GLN HE22 H 6.176 0.030 2 165 22 22 GLN HG2 H 2.332 0.030 2 166 22 22 GLN HG3 H 2.164 0.030 2 167 22 22 GLN C C 178.513 0.300 1 168 22 22 GLN CA C 56.595 0.300 1 169 22 22 GLN CB C 31.691 0.300 1 170 22 22 GLN CG C 34.485 0.300 1 171 22 22 GLN N N 116.090 0.300 1 172 22 22 GLN NE2 N 114.396 0.300 1 173 23 23 GLN H H 8.198 0.030 1 174 23 23 GLN HA H 4.200 0.030 1 175 23 23 GLN HB2 H 2.079 0.030 1 176 23 23 GLN HB3 H 2.079 0.030 1 177 23 23 GLN HE21 H 7.425 0.030 2 178 23 23 GLN HE22 H 6.820 0.030 2 179 23 23 GLN HG2 H 2.394 0.030 2 180 23 23 GLN HG3 H 2.534 0.030 2 181 23 23 GLN C C 176.720 0.300 1 182 23 23 GLN CA C 58.140 0.300 1 183 23 23 GLN CB C 29.636 0.300 1 184 23 23 GLN CG C 34.157 0.300 1 185 23 23 GLN N N 117.158 0.300 1 186 23 23 GLN NE2 N 111.687 0.300 1 187 24 24 ASN H H 8.277 0.030 1 188 24 24 ASN HA H 5.028 0.030 1 189 24 24 ASN HB2 H 2.983 0.030 2 190 24 24 ASN HB3 H 2.808 0.030 2 191 24 24 ASN HD21 H 7.040 0.030 2 192 24 24 ASN HD22 H 7.621 0.030 2 193 24 24 ASN C C 176.042 0.300 1 194 24 24 ASN CA C 53.698 0.300 1 195 24 24 ASN CB C 42.351 0.300 1 196 24 24 ASN N N 113.541 0.300 1 197 24 24 ASN ND2 N 112.747 0.300 1 198 25 25 GLY H H 7.851 0.030 1 199 25 25 GLY HA2 H 4.259 0.030 2 200 25 25 GLY HA3 H 3.980 0.030 2 201 25 25 GLY C C 172.191 0.300 1 202 25 25 GLY CA C 47.151 0.300 1 203 25 25 GLY N N 109.989 0.300 1 204 26 26 TYR H H 8.039 0.030 1 205 26 26 TYR HA H 4.684 0.030 1 206 26 26 TYR HB2 H 2.674 0.030 2 207 26 26 TYR HB3 H 2.454 0.030 2 208 26 26 TYR HD1 H 7.019 0.030 1 209 26 26 TYR HD2 H 7.019 0.030 1 210 26 26 TYR HE1 H 6.896 0.030 1 211 26 26 TYR HE2 H 6.896 0.030 1 212 26 26 TYR C C 173.136 0.300 1 213 26 26 TYR CA C 57.995 0.300 1 214 26 26 TYR CB C 41.351 0.300 1 215 26 26 TYR CD1 C 132.852 0.300 1 216 26 26 TYR CD2 C 132.852 0.300 1 217 26 26 TYR CE1 C 118.675 0.300 1 218 26 26 TYR CE2 C 118.675 0.300 1 219 26 26 TYR N N 120.798 0.300 1 220 27 27 GLU H H 8.274 0.030 1 221 27 27 GLU HA H 4.639 0.030 1 222 27 27 GLU HB2 H 2.046 0.030 2 223 27 27 GLU HB3 H 1.948 0.030 2 224 27 27 GLU HG2 H 2.265 0.030 2 225 27 27 GLU HG3 H 2.573 0.030 2 226 27 27 GLU C C 174.492 0.300 1 227 27 27 GLU CA C 54.869 0.300 1 228 27 27 GLU CB C 30.376 0.300 1 229 27 27 GLU CG C 36.705 0.300 1 230 27 27 GLU N N 128.342 0.300 1 231 28 28 ASN H H 7.081 0.030 1 232 28 28 ASN HA H 4.487 0.030 1 233 28 28 ASN HB2 H 2.627 0.030 2 234 28 28 ASN HB3 H 3.397 0.030 2 235 28 28 ASN HD21 H 6.236 0.030 2 236 28 28 ASN HD22 H 9.307 0.030 2 237 28 28 ASN C C 175.388 0.300 1 238 28 28 ASN CA C 50.825 0.300 1 239 28 28 ASN CB C 39.499 0.300 1 240 28 28 ASN N N 122.253 0.300 1 241 28 28 ASN ND2 N 115.349 0.300 1 242 29 29 PRO HA H 4.092 0.030 1 243 29 29 PRO HB2 H 2.235 0.030 1 244 29 29 PRO HB3 H 2.235 0.030 1 245 29 29 PRO HD2 H 4.195 0.030 1 246 29 29 PRO HD3 H 4.195 0.030 1 247 29 29 PRO HG2 H 2.055 0.030 2 248 29 29 PRO HG3 H 2.109 0.030 2 249 29 29 PRO C C 178.149 0.300 1 250 29 29 PRO CA C 64.276 0.300 1 251 29 29 PRO CB C 32.184 0.300 1 252 29 29 PRO CD C 52.012 0.300 1 253 29 29 PRO CG C 27.357 0.300 1 254 30 30 THR H H 8.004 0.030 1 255 30 30 THR HA H 4.094 0.030 1 256 30 30 THR HB H 4.349 0.030 1 257 30 30 THR HG2 H 1.286 0.030 1 258 30 30 THR C C 174.904 0.300 1 259 30 30 THR CA C 64.157 0.300 1 260 30 30 THR CB C 68.567 0.300 1 261 30 30 THR CG2 C 22.650 0.300 1 262 30 30 THR N N 114.217 0.300 1 263 31 31 TYR H H 6.808 0.030 1 264 31 31 TYR HA H 4.429 0.030 1 265 31 31 TYR HB2 H 3.283 0.030 2 266 31 31 TYR HB3 H 3.066 0.030 2 267 31 31 TYR HD1 H 7.344 0.030 1 268 31 31 TYR HD2 H 7.344 0.030 1 269 31 31 TYR HE1 H 6.946 0.030 1 270 31 31 TYR HE2 H 6.946 0.030 1 271 31 31 TYR C C 176.793 0.300 1 272 31 31 TYR CA C 59.801 0.300 1 273 31 31 TYR CB C 38.595 0.300 1 274 31 31 TYR CD1 C 133.754 0.300 1 275 31 31 TYR CD2 C 133.754 0.300 1 276 31 31 TYR CE1 C 117.772 0.300 1 277 31 31 TYR CE2 C 117.772 0.300 1 278 31 31 TYR N N 122.455 0.300 1 279 32 32 LYS H H 7.741 0.030 1 280 32 32 LYS HA H 3.828 0.030 1 281 32 32 LYS HB2 H 1.572 0.030 2 282 32 32 LYS HB3 H 1.494 0.030 2 283 32 32 LYS HD2 H 1.524 0.030 1 284 32 32 LYS HD3 H 1.524 0.030 1 285 32 32 LYS HE2 H 2.853 0.030 1 286 32 32 LYS HE3 H 2.853 0.030 1 287 32 32 LYS HG2 H 1.016 0.030 2 288 32 32 LYS HG3 H 1.188 0.030 2 289 32 32 LYS CA C 58.120 0.300 1 290 32 32 LYS CB C 32.807 0.300 1 291 32 32 LYS CD C 29.177 0.300 1 292 32 32 LYS CE C 42.001 0.300 1 293 32 32 LYS CG C 24.527 0.300 1 294 32 32 LYS N N 121.964 0.300 1 295 33 33 PHE H H 7.254 0.030 1 296 33 33 PHE HA H 4.413 0.030 1 297 33 33 PHE HB2 H 3.114 0.030 2 298 33 33 PHE HB3 H 2.940 0.030 2 299 33 33 PHE HD1 H 6.944 0.030 1 300 33 33 PHE HD2 H 6.944 0.030 1 301 33 33 PHE HE1 H 7.217 0.030 1 302 33 33 PHE HE2 H 7.217 0.030 1 303 33 33 PHE HZ H 7.223 0.030 1 304 33 33 PHE C C 176.430 0.300 1 305 33 33 PHE CA C 58.819 0.300 1 306 33 33 PHE CB C 38.805 0.300 1 307 33 33 PHE CD1 C 131.606 0.300 1 308 33 33 PHE CD2 C 131.606 0.300 1 309 33 33 PHE CE1 C 131.327 0.300 1 310 33 33 PHE CE2 C 131.327 0.300 1 311 33 33 PHE CZ C 129.720 0.300 1 312 34 34 PHE H H 7.781 0.030 1 313 34 34 PHE HA H 4.235 0.030 1 314 34 34 PHE HB2 H 3.003 0.030 1 315 34 34 PHE HB3 H 3.003 0.030 1 316 34 34 PHE HD1 H 7.283 0.030 1 317 34 34 PHE HD2 H 7.283 0.030 1 318 34 34 PHE HE1 H 7.287 0.030 1 319 34 34 PHE HE2 H 7.287 0.030 1 320 34 34 PHE C C 177.084 0.300 1 321 34 34 PHE CA C 60.458 0.300 1 322 34 34 PHE CB C 39.358 0.300 1 323 34 34 PHE CD1 C 132.092 0.300 1 324 34 34 PHE CD2 C 132.092 0.300 1 325 34 34 PHE CE1 C 131.215 0.300 1 326 34 34 PHE CE2 C 131.215 0.300 1 327 34 34 PHE N N 119.615 0.300 1 328 35 35 GLU H H 8.185 0.030 1 329 35 35 GLU HA H 3.999 0.030 1 330 35 35 GLU HB2 H 1.954 0.030 2 331 35 35 GLU HB3 H 1.806 0.030 2 332 35 35 GLU HG2 H 2.024 0.030 1 333 35 35 GLU HG3 H 2.024 0.030 1 334 35 35 GLU C C 177.229 0.300 1 335 35 35 GLU CA C 57.868 0.300 1 336 35 35 GLU CB C 29.994 0.300 1 337 35 35 GLU CG C 36.314 0.300 1 338 35 35 GLU N N 121.508 0.300 1 339 36 36 GLN H H 7.926 0.030 1 340 36 36 GLN HA H 4.168 0.030 1 341 36 36 GLN HB2 H 2.074 0.030 2 342 36 36 GLN HB3 H 2.000 0.030 2 343 36 36 GLN HE21 H 6.828 0.030 2 344 36 36 GLN HE22 H 7.515 0.030 2 345 36 36 GLN HG2 H 2.355 0.030 1 346 36 36 GLN HG3 H 2.355 0.030 1 347 36 36 GLN C C 176.890 0.300 1 348 36 36 GLN CA C 56.795 0.300 1 349 36 36 GLN CB C 28.896 0.300 1 350 36 36 GLN CG C 33.857 0.300 1 351 36 36 GLN N N 118.737 0.300 1 352 36 36 GLN NE2 N 112.161 0.300 1 353 37 37 MET H H 8.008 0.030 1 354 37 37 MET HA H 4.297 0.030 1 355 37 37 MET HB2 H 2.008 0.030 2 356 37 37 MET HB3 H 1.950 0.030 2 357 37 37 MET HE H 1.981 0.030 1 358 37 37 MET HG2 H 2.394 0.030 2 359 37 37 MET HG3 H 2.481 0.030 2 360 37 37 MET C C 176.842 0.300 1 361 37 37 MET CA C 56.473 0.300 1 362 37 37 MET CB C 32.595 0.300 1 363 37 37 MET CE C 17.114 0.300 1 364 37 37 MET CG C 32.024 0.300 1 365 37 37 MET N N 119.794 0.300 1 366 38 38 GLN H H 8.177 0.030 1 367 38 38 GLN HA H 4.211 0.030 1 368 38 38 GLN HB2 H 1.964 0.030 2 369 38 38 GLN HB3 H 2.059 0.030 2 370 38 38 GLN HE21 H 7.427 0.030 2 371 38 38 GLN HE22 H 6.831 0.030 2 372 38 38 GLN HG2 H 2.296 0.030 1 373 38 38 GLN HG3 H 2.296 0.030 1 374 38 38 GLN C C 176.067 0.300 1 375 38 38 GLN CA C 56.349 0.300 1 376 38 38 GLN CB C 29.027 0.300 1 377 38 38 GLN CG C 33.664 0.300 1 378 38 38 GLN N N 119.911 0.300 1 379 38 38 GLN NE2 N 112.537 0.300 1 380 39 39 ASN H H 8.297 0.030 1 381 39 39 ASN HA H 4.727 0.030 1 382 39 39 ASN HB2 H 2.846 0.030 2 383 39 39 ASN HB3 H 2.744 0.030 2 384 39 39 ASN HD21 H 6.906 0.030 2 385 39 39 ASN HD22 H 7.609 0.030 2 386 39 39 ASN C C 175.195 0.300 1 387 39 39 ASN CA C 53.472 0.300 1 388 39 39 ASN CB C 39.006 0.300 1 389 39 39 ASN N N 118.748 0.300 1 390 39 39 ASN ND2 N 113.244 0.300 1 391 40 40 SER H H 8.253 0.030 1 392 40 40 SER HA H 4.489 0.030 1 393 40 40 SER HB2 H 3.891 0.030 1 394 40 40 SER HB3 H 3.891 0.030 1 395 40 40 SER CA C 58.321 0.300 1 396 40 40 SER CB C 63.859 0.300 1 397 40 40 SER N N 115.800 0.300 1 398 41 41 GLY H H 8.242 0.030 1 399 41 41 GLY HA2 H 4.124 0.030 1 400 41 41 GLY HA3 H 4.124 0.030 1 401 41 41 GLY CA C 44.773 0.300 1 402 41 41 GLY N N 110.527 0.300 1 403 42 42 PRO HA H 4.448 0.030 1 404 42 42 PRO HB2 H 1.959 0.030 2 405 42 42 PRO HB3 H 2.279 0.030 2 406 42 42 PRO HD2 H 3.619 0.030 1 407 42 42 PRO HD3 H 3.619 0.030 1 408 42 42 PRO HG2 H 1.996 0.030 1 409 42 42 PRO HG3 H 1.996 0.030 1 410 42 42 PRO C C 177.544 0.300 1 411 42 42 PRO CA C 63.335 0.300 1 412 42 42 PRO CB C 32.102 0.300 1 413 42 42 PRO CD C 49.827 0.300 1 414 43 43 SER H H 8.500 0.030 1 415 43 43 SER C C 174.831 0.300 1 416 43 43 SER CA C 58.239 0.300 1 417 43 43 SER CB C 64.075 0.300 1 418 43 43 SER N N 116.113 0.300 1 419 44 44 SER HA H 4.443 0.030 1 420 45 45 GLY H H 8.403 0.030 1 421 45 45 GLY HA2 H 3.979 0.030 1 422 45 45 GLY HA3 H 3.979 0.030 1 423 45 45 GLY C C 174.298 0.300 1 424 45 45 GLY CA C 45.417 0.300 1 425 45 45 GLY N N 110.617 0.300 1 426 46 46 ILE H H 7.980 0.030 1 427 46 46 ILE HA H 4.146 0.030 1 428 46 46 ILE HB H 1.841 0.030 1 429 46 46 ILE HD1 H 0.835 0.030 1 430 46 46 ILE HG12 H 1.395 0.030 2 431 46 46 ILE HG13 H 1.135 0.030 2 432 46 46 ILE HG2 H 0.876 0.030 1 433 46 46 ILE C C 176.502 0.300 1 434 46 46 ILE CA C 61.445 0.300 1 435 46 46 ILE CB C 38.755 0.300 1 436 46 46 ILE CD1 C 13.115 0.300 1 437 46 46 ILE CG1 C 27.281 0.300 1 438 46 46 ILE CG2 C 17.554 0.300 1 439 46 46 ILE N N 119.589 0.300 1 440 47 47 GLU H H 8.603 0.030 1 441 47 47 GLU HA H 4.241 0.030 1 442 47 47 GLU HB2 H 1.952 0.030 2 443 47 47 GLU HB3 H 2.034 0.030 2 444 47 47 GLU HG2 H 2.262 0.030 1 445 47 47 GLU HG3 H 2.262 0.030 1 446 47 47 GLU C C 177.084 0.300 1 447 47 47 GLU CA C 57.054 0.300 1 448 47 47 GLU CB C 30.000 0.300 1 449 47 47 GLU CG C 36.211 0.300 1 450 47 47 GLU N N 124.524 0.300 1 451 48 48 GLY H H 8.405 0.030 1 452 48 48 GLY HA2 H 3.954 0.030 1 453 48 48 GLY HA3 H 3.954 0.030 1 454 48 48 GLY C C 174.347 0.300 1 455 48 48 GLY CA C 45.417 0.300 1 456 48 48 GLY N N 109.903 0.300 1 457 49 49 ARG H H 8.192 0.030 1 458 49 49 ARG HA H 4.320 0.030 1 459 49 49 ARG HB2 H 1.758 0.030 2 460 49 49 ARG HB3 H 1.879 0.030 2 461 49 49 ARG HD2 H 3.154 0.030 1 462 49 49 ARG HD3 H 3.154 0.030 1 463 49 49 ARG HG2 H 1.631 0.030 2 464 49 49 ARG HG3 H 1.584 0.030 2 465 49 49 ARG C C 177.035 0.300 1 466 49 49 ARG CA C 56.393 0.300 1 467 49 49 ARG CB C 30.707 0.300 1 468 49 49 ARG CD C 43.362 0.300 1 469 49 49 ARG CG C 27.206 0.300 1 470 49 49 ARG N N 120.437 0.300 1 471 50 50 GLY H H 8.497 0.030 1 472 50 50 GLY HA2 H 3.964 0.030 1 473 50 50 GLY HA3 H 3.964 0.030 1 474 50 50 GLY C C 174.250 0.300 1 475 50 50 GLY CA C 45.335 0.300 1 476 50 50 GLY N N 109.932 0.300 1 477 61 61 SER HA H 4.517 0.030 1 478 62 62 GLY H H 8.200 0.030 1 479 62 62 GLY HA2 H 4.077 0.030 1 480 62 62 GLY HA3 H 4.077 0.030 1 481 62 62 GLY CA C 44.499 0.300 1 482 62 62 GLY N N 110.667 0.300 1 483 63 63 PRO HA H 4.464 0.030 1 484 63 63 PRO HB2 H 1.887 0.030 2 485 63 63 PRO HB3 H 2.230 0.030 2 486 63 63 PRO HD2 H 3.594 0.030 1 487 63 63 PRO HD3 H 3.594 0.030 1 488 63 63 PRO HG2 H 1.999 0.030 1 489 63 63 PRO HG3 H 1.999 0.030 1 490 63 63 PRO C C 177.060 0.300 1 491 63 63 PRO CA C 63.081 0.300 1 492 63 63 PRO CB C 32.184 0.300 1 493 63 63 PRO CD C 49.773 0.300 1 494 63 63 PRO CG C 27.170 0.300 1 495 64 64 THR H H 8.330 0.030 1 496 64 64 THR HA H 4.545 0.030 1 497 64 64 THR HB H 4.106 0.030 1 498 64 64 THR HG2 H 1.233 0.030 1 499 64 64 THR C C 172.894 0.300 1 500 64 64 THR CA C 59.944 0.300 1 501 64 64 THR CB C 69.746 0.300 1 502 64 64 THR CG2 C 21.577 0.300 1 503 64 64 THR N N 117.620 0.300 1 504 65 65 PRO HA H 4.387 0.030 1 505 65 65 PRO HB2 H 1.861 0.030 2 506 65 65 PRO HB3 H 2.280 0.030 2 507 65 65 PRO HD2 H 3.664 0.030 2 508 65 65 PRO HD3 H 3.843 0.030 2 509 65 65 PRO HG2 H 2.017 0.030 2 510 65 65 PRO HG3 H 1.955 0.030 2 511 65 65 PRO C C 176.866 0.300 1 512 65 65 PRO CA C 63.192 0.300 1 513 65 65 PRO CB C 32.184 0.300 1 514 65 65 PRO CD C 51.163 0.300 1 515 65 65 PRO CG C 27.491 0.300 1 516 66 66 LYS H H 8.478 0.030 1 517 66 66 LYS HA H 4.322 0.030 1 518 66 66 LYS HB2 H 1.829 0.030 2 519 66 66 LYS HB3 H 1.756 0.030 2 520 66 66 LYS HD2 H 1.658 0.030 1 521 66 66 LYS HD3 H 1.658 0.030 1 522 66 66 LYS HE2 H 2.960 0.030 1 523 66 66 LYS HE3 H 2.960 0.030 1 524 66 66 LYS HG2 H 1.457 0.030 2 525 66 66 LYS HG3 H 1.410 0.030 2 526 66 66 LYS C C 176.914 0.300 1 527 66 66 LYS CA C 56.393 0.300 1 528 66 66 LYS CB C 33.088 0.300 1 529 66 66 LYS CD C 29.072 0.300 1 530 66 66 LYS CE C 42.212 0.300 1 531 66 66 LYS CG C 24.764 0.300 1 532 66 66 LYS N N 122.205 0.300 1 533 67 67 THR H H 8.201 0.030 1 534 67 67 THR HA H 4.286 0.030 1 535 67 67 THR HB H 4.169 0.030 1 536 67 67 THR HG2 H 1.175 0.030 1 537 67 67 THR C C 174.395 0.300 1 538 67 67 THR CA C 61.938 0.300 1 539 67 67 THR CB C 69.660 0.300 1 540 67 67 THR CG2 C 21.557 0.300 1 541 67 67 THR N N 115.603 0.300 1 542 68 68 GLU H H 8.499 0.030 1 543 68 68 GLU HA H 4.301 0.030 1 544 68 68 GLU HB2 H 1.884 0.030 2 545 68 68 GLU HB3 H 2.047 0.030 2 546 68 68 GLU HG2 H 2.235 0.030 1 547 68 68 GLU HG3 H 2.235 0.030 1 548 68 68 GLU C C 175.945 0.300 1 549 68 68 GLU CA C 56.267 0.300 1 550 68 68 GLU CB C 30.211 0.300 1 551 68 68 GLU CG C 36.314 0.300 1 552 68 68 GLU N N 123.291 0.300 1 553 69 69 LEU H H 8.099 0.030 1 554 69 69 LEU HA H 4.331 0.030 1 555 69 69 LEU HB2 H 1.573 0.030 2 556 69 69 LEU HB3 H 1.531 0.030 2 557 69 69 LEU HD1 H 0.865 0.030 1 558 69 69 LEU HD2 H 0.811 0.030 1 559 69 69 LEU HG H 1.519 0.030 1 560 69 69 LEU C C 176.527 0.300 1 561 69 69 LEU CA C 55.059 0.300 1 562 69 69 LEU CB C 42.534 0.300 1 563 69 69 LEU CD1 C 24.738 0.300 2 564 69 69 LEU CD2 C 23.789 0.300 2 565 69 69 LEU CG C 27.006 0.300 1 566 69 69 LEU N N 123.364 0.300 1 567 70 70 VAL H H 8.168 0.030 1 568 70 70 VAL HA H 4.254 0.030 1 569 70 70 VAL HB H 1.902 0.030 1 570 70 70 VAL HG1 H 0.742 0.030 1 571 70 70 VAL HG2 H 0.856 0.030 1 572 70 70 VAL C C 175.631 0.300 1 573 70 70 VAL CA C 61.938 0.300 1 574 70 70 VAL CB C 33.170 0.300 1 575 70 70 VAL CG1 C 20.841 0.300 2 576 70 70 VAL CG2 C 21.035 0.300 2 577 70 70 VAL N N 123.503 0.300 1 578 71 71 GLN H H 8.277 0.030 1 579 71 71 GLN HA H 4.359 0.030 1 580 71 71 GLN HB2 H 1.856 0.030 1 581 71 71 GLN HB3 H 1.856 0.030 1 582 71 71 GLN HE21 H 6.934 0.030 2 583 71 71 GLN HE22 H 7.494 0.030 2 584 71 71 GLN HG2 H 2.113 0.030 2 585 71 71 GLN HG3 H 2.230 0.030 2 586 71 71 GLN C C 173.305 0.300 1 587 71 71 GLN CA C 55.065 0.300 1 588 71 71 GLN CB C 31.873 0.300 1 589 71 71 GLN CG C 34.357 0.300 1 590 71 71 GLN N N 125.445 0.300 1 591 71 71 GLN NE2 N 111.696 0.300 1 592 72 72 LYS H H 7.757 0.030 1 593 72 72 LYS HA H 5.098 0.030 1 594 72 72 LYS HB2 H 1.516 0.030 2 595 72 72 LYS HB3 H 1.433 0.030 2 596 72 72 LYS HD2 H 1.493 0.030 1 597 72 72 LYS HD3 H 1.493 0.030 1 598 72 72 LYS HE2 H 2.787 0.030 1 599 72 72 LYS HE3 H 2.787 0.030 1 600 72 72 LYS HG2 H 1.160 0.030 2 601 72 72 LYS HG3 H 1.098 0.030 2 602 72 72 LYS C C 175.146 0.300 1 603 72 72 LYS CA C 55.034 0.300 1 604 72 72 LYS CB C 35.225 0.300 1 605 72 72 LYS CD C 29.503 0.300 1 606 72 72 LYS CE C 41.787 0.300 1 607 72 72 LYS CG C 24.540 0.300 1 608 72 72 LYS N N 122.699 0.300 1 609 73 73 PHE H H 8.921 0.030 1 610 73 73 PHE HA H 4.737 0.030 1 611 73 73 PHE HB2 H 3.060 0.030 2 612 73 73 PHE HB3 H 2.592 0.030 2 613 73 73 PHE HD1 H 7.061 0.030 1 614 73 73 PHE HD2 H 7.061 0.030 1 615 73 73 PHE HE1 H 6.882 0.030 1 616 73 73 PHE HE2 H 6.882 0.030 1 617 73 73 PHE HZ H 6.886 0.030 1 618 73 73 PHE C C 174.371 0.300 1 619 73 73 PHE CA C 56.595 0.300 1 620 73 73 PHE CB C 42.787 0.300 1 621 73 73 PHE CD1 C 132.400 0.300 1 622 73 73 PHE CD2 C 132.400 0.300 1 623 73 73 PHE CE1 C 130.180 0.300 1 624 73 73 PHE CE2 C 130.180 0.300 1 625 73 73 PHE CZ C 129.857 0.300 1 626 73 73 PHE N N 122.265 0.300 1 627 74 74 ARG H H 8.869 0.030 1 628 74 74 ARG HA H 5.306 0.030 1 629 74 74 ARG HB2 H 1.996 0.030 2 630 74 74 ARG HB3 H 1.802 0.030 2 631 74 74 ARG HD2 H 3.244 0.030 1 632 74 74 ARG HD3 H 3.244 0.030 1 633 74 74 ARG HE H 7.818 0.030 1 634 74 74 ARG HG2 H 1.635 0.030 1 635 74 74 ARG HG3 H 1.635 0.030 1 636 74 74 ARG C C 176.406 0.300 1 637 74 74 ARG CA C 56.150 0.300 1 638 74 74 ARG CB C 29.965 0.300 1 639 74 74 ARG CD C 43.198 0.300 1 640 74 74 ARG CG C 27.449 0.300 1 641 74 74 ARG N N 126.691 0.300 1 642 74 74 ARG NE N 85.510 0.300 1 643 75 75 VAL H H 8.885 0.030 1 644 75 75 VAL HA H 5.319 0.030 1 645 75 75 VAL HB H 2.818 0.030 1 646 75 75 VAL HG1 H 1.008 0.030 1 647 75 75 VAL HG2 H 0.801 0.030 1 648 75 75 VAL C C 174.783 0.300 1 649 75 75 VAL CA C 59.460 0.300 1 650 75 75 VAL CB C 36.198 0.300 1 651 75 75 VAL CG1 C 24.062 0.300 2 652 75 75 VAL CG2 C 20.102 0.300 2 653 75 75 VAL N N 120.485 0.300 1 654 76 76 GLN H H 9.098 0.030 1 655 76 76 GLN HA H 5.785 0.030 1 656 76 76 GLN HB2 H 2.476 0.030 2 657 76 76 GLN HB3 H 2.254 0.030 2 658 76 76 GLN HE21 H 8.053 0.030 2 659 76 76 GLN HE22 H 6.635 0.030 2 660 76 76 GLN HG2 H 2.514 0.030 1 661 76 76 GLN HG3 H 2.514 0.030 1 662 76 76 GLN C C 175.970 0.300 1 663 76 76 GLN CA C 54.952 0.300 1 664 76 76 GLN CB C 34.239 0.300 1 665 76 76 GLN CG C 36.376 0.300 1 666 76 76 GLN N N 116.428 0.300 1 667 76 76 GLN NE2 N 112.889 0.300 1 668 77 77 TYR H H 8.854 0.030 1 669 77 77 TYR HA H 5.115 0.030 1 670 77 77 TYR HB2 H 2.925 0.030 1 671 77 77 TYR HB3 H 2.925 0.030 1 672 77 77 TYR HD1 H 6.675 0.030 1 673 77 77 TYR HD2 H 6.675 0.030 1 674 77 77 TYR HE1 H 6.533 0.030 1 675 77 77 TYR HE2 H 6.533 0.030 1 676 77 77 TYR C C 173.596 0.300 1 677 77 77 TYR CA C 54.466 0.300 1 678 77 77 TYR CB C 41.307 0.300 1 679 77 77 TYR CD1 C 132.523 0.300 1 680 77 77 TYR CD2 C 132.523 0.300 1 681 77 77 TYR CE1 C 118.003 0.300 1 682 77 77 TYR CE2 C 118.003 0.300 1 683 77 77 TYR N N 123.671 0.300 1 684 78 78 LEU H H 8.352 0.030 1 685 78 78 LEU HA H 3.294 0.030 1 686 78 78 LEU HB2 H 0.892 0.030 2 687 78 78 LEU HB3 H 0.494 0.030 2 688 78 78 LEU HD1 H -0.047 0.030 1 689 78 78 LEU HD2 H -0.016 0.030 1 690 78 78 LEU HG H -0.888 0.030 1 691 78 78 LEU C C 175.679 0.300 1 692 78 78 LEU CA C 58.897 0.300 1 693 78 78 LEU CB C 41.803 0.300 1 694 78 78 LEU CD1 C 25.588 0.300 2 695 78 78 LEU CD2 C 26.506 0.300 2 696 78 78 LEU CG C 30.401 0.300 1 697 78 78 LEU N N 129.870 0.300 1 698 79 79 GLY H H 5.496 0.030 1 699 79 79 GLY HA2 H 4.026 0.030 2 700 79 79 GLY HA3 H 2.295 0.030 2 701 79 79 GLY C C 169.018 0.300 1 702 79 79 GLY CA C 43.338 0.300 1 703 79 79 GLY N N 103.249 0.300 1 704 80 80 MET H H 7.564 0.030 1 705 80 80 MET HA H 5.176 0.030 1 706 80 80 MET HB2 H 1.412 0.030 2 707 80 80 MET HB3 H 1.341 0.030 2 708 80 80 MET HE H 1.870 0.030 1 709 80 80 MET HG2 H 1.961 0.030 2 710 80 80 MET HG3 H 1.612 0.030 2 711 80 80 MET C C 175.606 0.300 1 712 80 80 MET CA C 52.142 0.300 1 713 80 80 MET CB C 34.037 0.300 1 714 80 80 MET CE C 17.500 0.300 1 715 80 80 MET CG C 32.095 0.300 1 716 80 80 MET N N 116.973 0.300 1 717 81 81 LEU H H 8.560 0.030 1 718 81 81 LEU HA H 4.754 0.030 1 719 81 81 LEU HB2 H 1.433 0.030 2 720 81 81 LEU HB3 H 1.099 0.030 2 721 81 81 LEU HD1 H 0.889 0.030 1 722 81 81 LEU HD2 H 0.901 0.030 1 723 81 81 LEU HG H 1.526 0.030 1 724 81 81 LEU C C 174.613 0.300 1 725 81 81 LEU CA C 51.993 0.300 1 726 81 81 LEU CB C 46.683 0.300 1 727 81 81 LEU CD1 C 24.906 0.300 2 728 81 81 LEU CD2 C 26.017 0.300 2 729 81 81 LEU CG C 26.757 0.300 1 730 81 81 LEU N N 125.862 0.300 1 731 82 82 PRO HA H 4.962 0.030 1 732 82 82 PRO HB2 H 2.334 0.030 2 733 82 82 PRO HB3 H 1.884 0.030 2 734 82 82 PRO HD2 H 3.589 0.030 2 735 82 82 PRO HD3 H 3.758 0.030 2 736 82 82 PRO HG2 H 2.099 0.030 2 737 82 82 PRO HG3 H 1.873 0.030 2 738 82 82 PRO C C 176.696 0.300 1 739 82 82 PRO CA C 62.502 0.300 1 740 82 82 PRO CB C 31.855 0.300 1 741 82 82 PRO CD C 51.171 0.300 1 742 82 82 PRO CG C 27.663 0.300 1 743 83 83 VAL H H 8.018 0.030 1 744 83 83 VAL HA H 4.825 0.030 1 745 83 83 VAL HB H 2.139 0.030 1 746 83 83 VAL HG1 H 0.762 0.030 1 747 83 83 VAL HG2 H 0.664 0.030 1 748 83 83 VAL C C 176.163 0.300 1 749 83 83 VAL CA C 58.979 0.300 1 750 83 83 VAL CB C 36.124 0.300 1 751 83 83 VAL CG1 C 23.078 0.300 2 752 83 83 VAL CG2 C 19.198 0.300 2 753 83 83 VAL N N 112.877 0.300 1 754 84 84 ASP H H 8.487 0.030 1 755 84 84 ASP HA H 4.744 0.030 1 756 84 84 ASP HB2 H 2.754 0.030 2 757 84 84 ASP HB3 H 2.724 0.030 2 758 84 84 ASP C C 175.994 0.300 1 759 84 84 ASP CA C 54.705 0.300 1 760 84 84 ASP CB C 41.801 0.300 1 761 84 84 ASP N N 116.941 0.300 1 762 85 85 ARG H H 7.067 0.030 1 763 85 85 ARG HA H 4.544 0.030 1 764 85 85 ARG HB2 H 1.731 0.030 2 765 85 85 ARG HB3 H 1.646 0.030 2 766 85 85 ARG HD2 H 3.114 0.030 1 767 85 85 ARG HD3 H 3.114 0.030 1 768 85 85 ARG HE H 7.269 0.030 1 769 85 85 ARG HG2 H 1.527 0.030 1 770 85 85 ARG HG3 H 1.527 0.030 1 771 85 85 ARG C C 173.087 0.300 1 772 85 85 ARG CA C 52.338 0.300 1 773 85 85 ARG CB C 32.677 0.300 1 774 85 85 ARG CD C 43.267 0.300 1 775 85 85 ARG CG C 26.409 0.300 1 776 85 85 ARG N N 116.748 0.300 1 777 85 85 ARG NE N 85.598 0.300 1 778 86 86 PRO HA H 3.471 0.030 1 779 86 86 PRO HB2 H 1.447 0.030 2 780 86 86 PRO HB3 H 1.309 0.030 2 781 86 86 PRO HD2 H 2.914 0.030 2 782 86 86 PRO HD3 H 3.498 0.030 2 783 86 86 PRO HG2 H 1.852 0.030 2 784 86 86 PRO HG3 H 1.744 0.030 2 785 86 86 PRO C C 176.042 0.300 1 786 86 86 PRO CA C 62.191 0.300 1 787 86 86 PRO CB C 31.689 0.300 1 788 86 86 PRO CD C 49.462 0.300 1 789 86 86 PRO CG C 26.032 0.300 1 790 87 87 VAL H H 6.272 0.030 1 791 87 87 VAL HA H 3.685 0.030 1 792 87 87 VAL HB H 1.599 0.030 1 793 87 87 VAL HG1 H 0.706 0.030 1 794 87 87 VAL HG2 H 0.510 0.030 1 795 87 87 VAL C C 174.202 0.300 1 796 87 87 VAL CA C 58.012 0.300 1 797 87 87 VAL CB C 36.902 0.300 1 798 87 87 VAL CG1 C 21.458 0.300 2 799 87 87 VAL CG2 C 18.314 0.300 2 800 87 87 VAL N N 106.773 0.300 1 801 88 88 GLY H H 3.391 0.030 1 802 88 88 GLY HA2 H 4.226 0.030 2 803 88 88 GLY HA3 H 3.170 0.030 2 804 88 88 GLY C C 173.669 0.300 1 805 88 88 GLY CA C 44.704 0.300 1 806 88 88 GLY N N 105.702 0.300 1 807 89 89 MET H H 8.946 0.030 1 808 89 89 MET HA H 4.734 0.030 1 809 89 89 MET HB2 H 2.035 0.030 1 810 89 89 MET HB3 H 2.035 0.030 1 811 89 89 MET HE H 2.058 0.030 1 812 89 89 MET HG2 H 2.463 0.030 2 813 89 89 MET HG3 H 2.594 0.030 2 814 89 89 MET C C 178.876 0.300 1 815 89 89 MET CA C 55.527 0.300 1 816 89 89 MET CB C 29.143 0.300 1 817 89 89 MET CE C 16.068 0.300 1 818 89 89 MET CG C 32.266 0.300 1 819 89 89 MET N N 125.175 0.300 1 820 90 90 ASP H H 8.951 0.030 1 821 90 90 ASP HA H 4.375 0.030 1 822 90 90 ASP HB2 H 2.698 0.030 2 823 90 90 ASP HB3 H 2.608 0.030 2 824 90 90 ASP C C 179.215 0.300 1 825 90 90 ASP CA C 56.923 0.300 1 826 90 90 ASP CB C 38.471 0.300 1 827 90 90 ASP N N 120.197 0.300 1 828 91 91 THR H H 7.487 0.030 1 829 91 91 THR HA H 3.700 0.030 1 830 91 91 THR HB H 3.802 0.030 1 831 91 91 THR HG2 H 1.063 0.030 1 832 91 91 THR C C 176.357 0.300 1 833 91 91 THR CA C 66.083 0.300 1 834 91 91 THR CB C 68.483 0.300 1 835 91 91 THR CG2 C 21.726 0.300 1 836 91 91 THR N N 119.888 0.300 1 837 92 92 LEU H H 7.940 0.030 1 838 92 92 LEU HA H 3.738 0.030 1 839 92 92 LEU HB2 H 1.606 0.030 2 840 92 92 LEU HB3 H 1.852 0.030 2 841 92 92 LEU HD1 H 0.708 0.030 1 842 92 92 LEU HD2 H 0.593 0.030 1 843 92 92 LEU HG H 1.364 0.030 1 844 92 92 LEU C C 178.440 0.300 1 845 92 92 LEU CA C 58.771 0.300 1 846 92 92 LEU CB C 44.195 0.300 1 847 92 92 LEU CD1 C 26.449 0.300 2 848 92 92 LEU CD2 C 25.518 0.300 2 849 92 92 LEU CG C 26.357 0.300 1 850 92 92 LEU N N 122.185 0.300 1 851 93 93 ASN H H 9.104 0.030 1 852 93 93 ASN HA H 4.543 0.030 1 853 93 93 ASN HB2 H 2.932 0.030 2 854 93 93 ASN HB3 H 2.556 0.030 2 855 93 93 ASN HD21 H 7.684 0.030 2 856 93 93 ASN HD22 H 7.247 0.030 2 857 93 93 ASN C C 178.174 0.300 1 858 93 93 ASN CA C 56.601 0.300 1 859 93 93 ASN CB C 38.030 0.300 1 860 93 93 ASN N N 114.782 0.300 1 861 93 93 ASN ND2 N 112.385 0.300 1 862 94 94 SER H H 7.741 0.030 1 863 94 94 SER HA H 4.188 0.030 1 864 94 94 SER HB2 H 3.953 0.030 2 865 94 94 SER HB3 H 3.906 0.030 2 866 94 94 SER C C 176.502 0.300 1 867 94 94 SER CA C 61.926 0.300 1 868 94 94 SER CB C 62.591 0.300 1 869 94 94 SER N N 114.867 0.300 1 870 95 95 ALA H H 7.202 0.030 1 871 95 95 ALA HA H 4.079 0.030 1 872 95 95 ALA HB H 1.292 0.030 1 873 95 95 ALA C C 178.682 0.300 1 874 95 95 ALA CA C 55.042 0.300 1 875 95 95 ALA CB C 18.576 0.300 1 876 95 95 ALA N N 124.163 0.300 1 877 96 96 ILE H H 8.204 0.030 1 878 96 96 ILE HA H 3.317 0.030 1 879 96 96 ILE HB H 1.939 0.030 1 880 96 96 ILE HD1 H 0.640 0.030 1 881 96 96 ILE HG12 H 0.725 0.030 2 882 96 96 ILE HG13 H 1.743 0.030 2 883 96 96 ILE HG2 H 0.923 0.030 1 884 96 96 ILE C C 177.738 0.300 1 885 96 96 ILE CA C 66.467 0.300 1 886 96 96 ILE CB C 38.978 0.300 1 887 96 96 ILE CD1 C 12.939 0.300 1 888 96 96 ILE CG1 C 29.008 0.300 1 889 96 96 ILE CG2 C 17.714 0.300 1 890 96 96 ILE N N 116.770 0.300 1 891 97 97 GLU H H 8.467 0.030 1 892 97 97 GLU HA H 3.895 0.030 1 893 97 97 GLU HB2 H 2.033 0.030 1 894 97 97 GLU HB3 H 2.033 0.030 1 895 97 97 GLU HG2 H 2.336 0.030 2 896 97 97 GLU HG3 H 2.481 0.030 2 897 97 97 GLU C C 179.457 0.300 1 898 97 97 GLU CA C 59.390 0.300 1 899 97 97 GLU CB C 28.896 0.300 1 900 97 97 GLU CG C 36.763 0.300 1 901 97 97 GLU N N 116.168 0.300 1 902 98 98 ASN H H 7.831 0.030 1 903 98 98 ASN HA H 4.333 0.030 1 904 98 98 ASN HB2 H 2.854 0.030 2 905 98 98 ASN HB3 H 2.774 0.030 2 906 98 98 ASN HD21 H 6.769 0.030 2 907 98 98 ASN HD22 H 7.277 0.030 2 908 98 98 ASN C C 178.658 0.300 1 909 98 98 ASN CA C 56.403 0.300 1 910 98 98 ASN CB C 38.967 0.300 1 911 98 98 ASN N N 118.656 0.300 1 912 98 98 ASN ND2 N 111.687 0.300 1 913 99 99 LEU H H 7.936 0.030 1 914 99 99 LEU HA H 4.071 0.030 1 915 99 99 LEU HB2 H 0.957 0.030 2 916 99 99 LEU HB3 H 1.557 0.030 2 917 99 99 LEU HD1 H 0.229 0.030 1 918 99 99 LEU HD2 H 0.596 0.030 1 919 99 99 LEU HG H 1.526 0.030 1 920 99 99 LEU C C 179.845 0.300 1 921 99 99 LEU CA C 57.911 0.300 1 922 99 99 LEU CB C 41.883 0.300 1 923 99 99 LEU CD1 C 25.407 0.300 2 924 99 99 LEU CD2 C 22.294 0.300 2 925 99 99 LEU CG C 26.759 0.300 1 926 99 99 LEU N N 119.754 0.300 1 927 100 100 MET H H 8.593 0.030 1 928 100 100 MET HA H 4.244 0.030 1 929 100 100 MET HB2 H 2.296 0.030 2 930 100 100 MET HB3 H 2.194 0.030 2 931 100 100 MET HE H 2.333 0.030 1 932 100 100 MET HG2 H 2.459 0.030 2 933 100 100 MET HG3 H 2.760 0.030 2 934 100 100 MET C C 177.229 0.300 1 935 100 100 MET CA C 58.700 0.300 1 936 100 100 MET CB C 33.644 0.300 1 937 100 100 MET CE C 17.061 0.300 1 938 100 100 MET CG C 33.026 0.300 1 939 100 100 MET N N 118.398 0.300 1 940 101 101 THR H H 7.765 0.030 1 941 101 101 THR HA H 4.424 0.030 1 942 101 101 THR HB H 4.430 0.030 1 943 101 101 THR HG2 H 1.344 0.030 1 944 101 101 THR C C 175.727 0.300 1 945 101 101 THR CA C 63.500 0.300 1 946 101 101 THR CB C 69.825 0.300 1 947 101 101 THR CG2 C 21.499 0.300 1 948 101 101 THR N N 108.370 0.300 1 949 102 102 SER H H 7.743 0.030 1 950 102 102 SER HA H 4.552 0.030 1 951 102 102 SER HB2 H 4.057 0.030 2 952 102 102 SER HB3 H 3.955 0.030 2 953 102 102 SER C C 173.402 0.300 1 954 102 102 SER CA C 59.110 0.300 1 955 102 102 SER CB C 64.346 0.300 1 956 102 102 SER N N 115.335 0.300 1 957 103 103 SER H H 7.731 0.030 1 958 103 103 SER HA H 4.706 0.030 1 959 103 103 SER HB2 H 4.111 0.030 1 960 103 103 SER HB3 H 4.111 0.030 1 961 103 103 SER C C 172.167 0.300 1 962 103 103 SER CA C 57.582 0.300 1 963 103 103 SER CB C 65.727 0.300 1 964 103 103 SER N N 114.450 0.300 1 965 104 104 SER H H 8.587 0.030 1 966 104 104 SER HA H 4.397 0.030 1 967 104 104 SER HB2 H 3.629 0.030 2 968 104 104 SER HB3 H 3.592 0.030 2 969 104 104 SER C C 173.427 0.300 1 970 104 104 SER CA C 56.862 0.300 1 971 104 104 SER CB C 65.013 0.300 1 972 104 104 SER N N 115.047 0.300 1 973 105 105 LYS H H 7.630 0.030 1 974 105 105 LYS HA H 1.307 0.030 1 975 105 105 LYS HB2 H 0.879 0.030 2 976 105 105 LYS HB3 H 0.713 0.030 2 977 105 105 LYS HD2 H 1.028 0.030 2 978 105 105 LYS HD3 H 0.913 0.030 2 979 105 105 LYS HE2 H 2.274 0.030 2 980 105 105 LYS HE3 H 2.492 0.030 2 981 105 105 LYS HG2 H 0.575 0.030 2 982 105 105 LYS HG3 H 0.714 0.030 2 983 105 105 LYS C C 177.253 0.300 1 984 105 105 LYS CA C 57.171 0.300 1 985 105 105 LYS CB C 32.102 0.300 1 986 105 105 LYS CD C 29.143 0.300 1 987 105 105 LYS CE C 41.554 0.300 1 988 105 105 LYS CG C 23.746 0.300 1 989 105 105 LYS N N 123.315 0.300 1 990 106 106 GLU H H 7.925 0.030 1 991 106 106 GLU HA H 3.763 0.030 1 992 106 106 GLU HB2 H 1.659 0.030 2 993 106 106 GLU HB3 H 1.808 0.030 2 994 106 106 GLU HG2 H 2.097 0.030 2 995 106 106 GLU HG3 H 2.057 0.030 2 996 106 106 GLU C C 176.963 0.300 1 997 106 106 GLU CA C 58.252 0.300 1 998 106 106 GLU CB C 28.650 0.300 1 999 106 106 GLU CG C 36.211 0.300 1 1000 106 106 GLU N N 115.347 0.300 1 1001 107 107 ASP H H 7.756 0.030 1 1002 107 107 ASP HA H 4.559 0.030 1 1003 107 107 ASP HB2 H 2.847 0.030 2 1004 107 107 ASP HB3 H 2.700 0.030 2 1005 107 107 ASP C C 176.793 0.300 1 1006 107 107 ASP CA C 54.705 0.300 1 1007 107 107 ASP CB C 41.883 0.300 1 1008 107 107 ASP N N 117.370 0.300 1 1009 108 108 TRP H H 7.011 0.030 1 1010 108 108 TRP HA H 5.245 0.030 1 1011 108 108 TRP HB2 H 3.374 0.030 2 1012 108 108 TRP HB3 H 2.793 0.030 2 1013 108 108 TRP HD1 H 6.924 0.030 1 1014 108 108 TRP HE1 H 9.865 0.030 1 1015 108 108 TRP HE3 H 6.909 0.030 1 1016 108 108 TRP HH2 H 6.578 0.030 1 1017 108 108 TRP HZ2 H 7.272 0.030 1 1018 108 108 TRP HZ3 H 5.875 0.030 1 1019 108 108 TRP C C 174.638 0.300 1 1020 108 108 TRP CA C 53.086 0.300 1 1021 108 108 TRP CB C 28.340 0.300 1 1022 108 108 TRP CD1 C 124.785 0.300 1 1023 108 108 TRP CE3 C 120.082 0.300 1 1024 108 108 TRP CH2 C 123.893 0.300 1 1025 108 108 TRP CZ2 C 114.423 0.300 1 1026 108 108 TRP CZ3 C 121.549 0.300 1 1027 108 108 TRP N N 123.771 0.300 1 1028 108 108 TRP NE1 N 129.580 0.300 1 1029 109 109 PRO HA H 4.611 0.030 1 1030 109 109 PRO HB2 H 2.455 0.030 2 1031 109 109 PRO HB3 H 1.994 0.030 2 1032 109 109 PRO HD2 H 4.208 0.030 2 1033 109 109 PRO HD3 H 4.728 0.030 2 1034 109 109 PRO HG2 H 2.296 0.030 2 1035 109 109 PRO HG3 H 2.252 0.030 2 1036 109 109 PRO C C 176.817 0.300 1 1037 109 109 PRO CA C 63.095 0.300 1 1038 109 109 PRO CB C 32.513 0.300 1 1039 109 109 PRO CD C 51.417 0.300 1 1040 109 109 PRO CG C 27.557 0.300 1 1041 110 110 SER H H 8.731 0.030 1 1042 110 110 SER HA H 5.027 0.030 1 1043 110 110 SER HB2 H 3.885 0.030 1 1044 110 110 SER HB3 H 3.885 0.030 1 1045 110 110 SER C C 174.565 0.300 1 1046 110 110 SER CA C 59.061 0.300 1 1047 110 110 SER CB C 63.431 0.300 1 1048 110 110 SER N N 117.470 0.300 1 1049 111 111 VAL H H 9.423 0.030 1 1050 111 111 VAL HA H 5.025 0.030 1 1051 111 111 VAL HB H 2.135 0.030 1 1052 111 111 VAL HG1 H 0.858 0.030 1 1053 111 111 VAL HG2 H 0.744 0.030 1 1054 111 111 VAL C C 173.548 0.300 1 1055 111 111 VAL CA C 58.844 0.300 1 1056 111 111 VAL CB C 35.980 0.300 1 1057 111 111 VAL CG1 C 22.321 0.300 2 1058 111 111 VAL CG2 C 20.595 0.300 2 1059 111 111 VAL N N 118.746 0.300 1 1060 112 112 ASN H H 9.090 0.030 1 1061 112 112 ASN HA H 5.608 0.030 1 1062 112 112 ASN HB2 H 2.520 0.030 2 1063 112 112 ASN HB3 H 2.406 0.030 2 1064 112 112 ASN HD21 H 7.360 0.030 2 1065 112 112 ASN HD22 H 6.993 0.030 2 1066 112 112 ASN C C 174.250 0.300 1 1067 112 112 ASN CA C 52.087 0.300 1 1068 112 112 ASN CB C 41.143 0.300 1 1069 112 112 ASN N N 117.627 0.300 1 1070 112 112 ASN ND2 N 112.853 0.300 1 1071 113 113 MET H H 9.593 0.030 1 1072 113 113 MET HA H 4.952 0.030 1 1073 113 113 MET HB2 H 2.011 0.030 2 1074 113 113 MET HB3 H 1.579 0.030 2 1075 113 113 MET HE H 0.964 0.030 1 1076 113 113 MET HG2 H 1.889 0.030 1 1077 113 113 MET HG3 H 1.889 0.030 1 1078 113 113 MET C C 173.620 0.300 1 1079 113 113 MET CA C 54.384 0.300 1 1080 113 113 MET CB C 35.971 0.300 1 1081 113 113 MET CE C 15.235 0.300 1 1082 113 113 MET CG C 31.691 0.300 1 1083 113 113 MET N N 124.819 0.300 1 1084 114 114 ASN H H 9.439 0.030 1 1085 114 114 ASN HA H 5.440 0.030 1 1086 114 114 ASN HB2 H 2.448 0.030 2 1087 114 114 ASN HB3 H 2.732 0.030 2 1088 114 114 ASN HD21 H 6.864 0.030 2 1089 114 114 ASN HD22 H 6.598 0.030 2 1090 114 114 ASN C C 174.565 0.300 1 1091 114 114 ASN CA C 51.828 0.300 1 1092 114 114 ASN CB C 40.878 0.300 1 1093 114 114 ASN N N 127.024 0.300 1 1094 114 114 ASN ND2 N 109.472 0.300 1 1095 115 115 VAL H H 9.134 0.030 1 1096 115 115 VAL HA H 4.600 0.030 1 1097 115 115 VAL HB H 2.088 0.030 1 1098 115 115 VAL HG1 H 0.719 0.030 1 1099 115 115 VAL HG2 H 0.754 0.030 1 1100 115 115 VAL C C 174.686 0.300 1 1101 115 115 VAL CA C 61.856 0.300 1 1102 115 115 VAL CB C 32.687 0.300 1 1103 115 115 VAL CG1 C 21.417 0.300 2 1104 115 115 VAL CG2 C 20.741 0.300 2 1105 115 115 VAL N N 124.928 0.300 1 1106 116 116 ALA H H 8.458 0.030 1 1107 116 116 ALA HA H 4.644 0.030 1 1108 116 116 ALA HB H 1.407 0.030 1 1109 116 116 ALA C C 176.333 0.300 1 1110 116 116 ALA CA C 51.608 0.300 1 1111 116 116 ALA CB C 22.280 0.300 1 1112 116 116 ALA N N 128.714 0.300 1 1113 117 117 ASP H H 9.196 0.030 1 1114 117 117 ASP HA H 4.290 0.030 1 1115 117 117 ASP HB2 H 2.534 0.030 2 1116 117 117 ASP HB3 H 2.838 0.030 2 1117 117 117 ASP C C 176.648 0.300 1 1118 117 117 ASP CA C 55.856 0.300 1 1119 117 117 ASP CB C 39.664 0.300 1 1120 117 117 ASP N N 120.573 0.300 1 1121 118 118 ALA H H 9.118 0.030 1 1122 118 118 ALA HA H 4.036 0.030 1 1123 118 118 ALA HB H 1.525 0.030 1 1124 118 118 ALA C C 177.035 0.300 1 1125 118 118 ALA CA C 53.066 0.300 1 1126 118 118 ALA CB C 18.263 0.300 1 1127 118 118 ALA N N 118.659 0.300 1 1128 119 119 THR H H 7.838 0.030 1 1129 119 119 THR HA H 4.922 0.030 1 1130 119 119 THR HB H 4.073 0.030 1 1131 119 119 THR HG2 H 1.029 0.030 1 1132 119 119 THR C C 172.046 0.300 1 1133 119 119 THR CA C 62.502 0.300 1 1134 119 119 THR CB C 72.508 0.300 1 1135 119 119 THR CG2 C 21.335 0.300 1 1136 119 119 THR N N 114.812 0.300 1 1137 120 120 VAL H H 8.818 0.030 1 1138 120 120 VAL HA H 4.695 0.030 1 1139 120 120 VAL HB H 1.709 0.030 1 1140 120 120 VAL HG1 H 0.616 0.030 1 1141 120 120 VAL HG2 H 0.620 0.030 1 1142 120 120 VAL C C 174.662 0.300 1 1143 120 120 VAL CA C 61.363 0.300 1 1144 120 120 VAL CB C 33.519 0.300 1 1145 120 120 VAL CG1 C 20.912 0.300 2 1146 120 120 VAL CG2 C 20.769 0.300 2 1147 120 120 VAL N N 126.816 0.300 1 1148 121 121 THR H H 9.009 0.030 1 1149 121 121 THR HA H 5.060 0.030 1 1150 121 121 THR HB H 3.924 0.030 1 1151 121 121 THR HG2 H 1.268 0.030 1 1152 121 121 THR C C 173.427 0.300 1 1153 121 121 THR CA C 61.280 0.300 1 1154 121 121 THR CB C 70.629 0.300 1 1155 121 121 THR CG2 C 22.745 0.300 1 1156 121 121 THR N N 122.555 0.300 1 1157 122 122 VAL H H 9.128 0.030 1 1158 122 122 VAL HA H 4.854 0.030 1 1159 122 122 VAL HB H 1.913 0.030 1 1160 122 122 VAL HG1 H 0.656 0.030 1 1161 122 122 VAL HG2 H 0.763 0.030 1 1162 122 122 VAL C C 174.323 0.300 1 1163 122 122 VAL CA C 61.116 0.300 1 1164 122 122 VAL CB C 32.663 0.300 1 1165 122 122 VAL CG1 C 21.833 0.300 2 1166 122 122 VAL CG2 C 21.097 0.300 2 1167 122 122 VAL N N 126.709 0.300 1 1168 123 123 ILE H H 9.097 0.030 1 1169 123 123 ILE HA H 4.872 0.030 1 1170 123 123 ILE HB H 1.733 0.030 1 1171 123 123 ILE HD1 H 0.824 0.030 1 1172 123 123 ILE HG12 H 1.455 0.030 2 1173 123 123 ILE HG13 H 1.029 0.030 2 1174 123 123 ILE HG2 H 1.014 0.030 1 1175 123 123 ILE C C 175.437 0.300 1 1176 123 123 ILE CA C 59.749 0.300 1 1177 123 123 ILE CB C 41.572 0.300 1 1178 123 123 ILE CD1 C 13.504 0.300 1 1179 123 123 ILE CG1 C 28.348 0.300 1 1180 123 123 ILE CG2 C 18.273 0.300 1 1181 123 123 ILE N N 128.074 0.300 1 1182 124 124 SER H H 8.450 0.030 1 1183 124 124 SER HA H 4.363 0.030 1 1184 124 124 SER HB2 H 4.150 0.030 2 1185 124 124 SER HB3 H 4.334 0.030 2 1186 124 124 SER C C 175.049 0.300 1 1187 124 124 SER CA C 58.904 0.300 1 1188 124 124 SER CB C 63.911 0.300 1 1189 124 124 SER N N 120.235 0.300 1 1190 125 125 GLU H H 8.336 0.030 1 1191 125 125 GLU HA H 4.187 0.030 1 1192 125 125 GLU HB2 H 1.963 0.030 2 1193 125 125 GLU HB3 H 1.855 0.030 2 1194 125 125 GLU HG2 H 2.197 0.030 1 1195 125 125 GLU HG3 H 2.197 0.030 1 1196 125 125 GLU C C 177.181 0.300 1 1197 125 125 GLU CA C 58.312 0.300 1 1198 125 125 GLU CB C 30.057 0.300 1 1199 125 125 GLU CG C 36.622 0.300 1 1200 125 125 GLU N N 124.502 0.300 1 1201 126 126 LYS H H 8.105 0.030 1 1202 126 126 LYS HA H 4.262 0.030 1 1203 126 126 LYS HB2 H 1.874 0.030 2 1204 126 126 LYS HB3 H 1.781 0.030 2 1205 126 126 LYS HD2 H 1.723 0.030 1 1206 126 126 LYS HD3 H 1.723 0.030 1 1207 126 126 LYS HE2 H 3.040 0.030 1 1208 126 126 LYS HE3 H 3.040 0.030 1 1209 126 126 LYS HG2 H 1.505 0.030 2 1210 126 126 LYS HG3 H 1.442 0.030 2 1211 126 126 LYS C C 176.381 0.300 1 1212 126 126 LYS CA C 56.842 0.300 1 1213 126 126 LYS CB C 33.405 0.300 1 1214 126 126 LYS CD C 29.143 0.300 1 1215 126 126 LYS CE C 42.047 0.300 1 1216 126 126 LYS CG C 25.033 0.300 1 1217 126 126 LYS N N 117.187 0.300 1 1218 127 127 ASN H H 7.470 0.030 1 1219 127 127 ASN HA H 4.714 0.030 1 1220 127 127 ASN HB2 H 2.889 0.030 2 1221 127 127 ASN HB3 H 2.761 0.030 2 1222 127 127 ASN HD21 H 7.012 0.030 2 1223 127 127 ASN HD22 H 7.715 0.030 2 1224 127 127 ASN C C 174.613 0.300 1 1225 127 127 ASN CA C 52.814 0.300 1 1226 127 127 ASN CB C 38.761 0.300 1 1227 127 127 ASN N N 116.252 0.300 1 1228 127 127 ASN ND2 N 112.510 0.300 1 1229 128 128 GLU H H 8.668 0.030 1 1230 128 128 GLU HA H 4.154 0.030 1 1231 128 128 GLU HB2 H 1.994 0.030 2 1232 128 128 GLU HB3 H 2.064 0.030 2 1233 128 128 GLU HG2 H 2.270 0.030 1 1234 128 128 GLU HG3 H 2.270 0.030 1 1235 128 128 GLU C C 175.679 0.300 1 1236 128 128 GLU CA C 57.963 0.300 1 1237 128 128 GLU CB C 29.200 0.300 1 1238 128 128 GLU CG C 36.540 0.300 1 1239 128 128 GLU N N 121.351 0.300 1 1240 129 129 GLU H H 8.034 0.030 1 1241 129 129 GLU HA H 4.186 0.030 1 1242 129 129 GLU HB2 H 2.120 0.030 2 1243 129 129 GLU HB3 H 1.943 0.030 2 1244 129 129 GLU HG2 H 2.263 0.030 2 1245 129 129 GLU HG3 H 2.173 0.030 2 1246 129 129 GLU C C 176.236 0.300 1 1247 129 129 GLU CA C 56.448 0.300 1 1248 129 129 GLU CB C 29.523 0.300 1 1249 129 129 GLU CG C 36.787 0.300 1 1250 129 129 GLU N N 115.563 0.300 1 1251 130 130 GLU H H 7.964 0.030 1 1252 130 130 GLU HA H 4.305 0.030 1 1253 130 130 GLU HB2 H 2.243 0.030 2 1254 130 130 GLU HB3 H 1.882 0.030 2 1255 130 130 GLU HG2 H 2.137 0.030 2 1256 130 130 GLU HG3 H 2.064 0.030 2 1257 130 130 GLU C C 173.911 0.300 1 1258 130 130 GLU CA C 56.280 0.300 1 1259 130 130 GLU CB C 30.221 0.300 1 1260 130 130 GLU CG C 36.294 0.300 1 1261 130 130 GLU N N 122.530 0.300 1 1262 131 131 VAL H H 8.304 0.030 1 1263 131 131 VAL HA H 4.051 0.030 1 1264 131 131 VAL HB H 1.997 0.030 1 1265 131 131 VAL HG1 H 0.891 0.030 1 1266 131 131 VAL HG2 H 0.780 0.030 1 1267 131 131 VAL C C 176.527 0.300 1 1268 131 131 VAL CA C 62.924 0.300 1 1269 131 131 VAL CB C 31.747 0.300 1 1270 131 131 VAL CG1 C 21.048 0.300 2 1271 131 131 VAL CG2 C 21.641 0.300 2 1272 131 131 VAL N N 127.113 0.300 1 1273 132 132 LEU H H 9.055 0.030 1 1274 132 132 LEU HA H 4.351 0.030 1 1275 132 132 LEU HB2 H 1.489 0.030 2 1276 132 132 LEU HB3 H 1.318 0.030 2 1277 132 132 LEU HD1 H 0.900 0.030 1 1278 132 132 LEU HD2 H 0.879 0.030 1 1279 132 132 LEU HG H 1.682 0.030 1 1280 132 132 LEU C C 177.592 0.300 1 1281 132 132 LEU CA C 56.503 0.300 1 1282 132 132 LEU CB C 42.826 0.300 1 1283 132 132 LEU CD1 C 25.886 0.300 2 1284 132 132 LEU CD2 C 23.107 0.300 2 1285 132 132 LEU CG C 27.766 0.300 1 1286 132 132 LEU N N 129.773 0.300 1 1287 133 133 VAL H H 7.352 0.030 1 1288 133 133 VAL HA H 4.192 0.030 1 1289 133 133 VAL HB H 1.720 0.030 1 1290 133 133 VAL HG1 H 0.518 0.030 1 1291 133 133 VAL HG2 H 0.564 0.030 1 1292 133 133 VAL C C 172.797 0.300 1 1293 133 133 VAL CA C 61.280 0.300 1 1294 133 133 VAL CB C 35.790 0.300 1 1295 133 133 VAL CG1 C 19.698 0.300 2 1296 133 133 VAL CG2 C 21.316 0.300 2 1297 133 133 VAL N N 115.079 0.300 1 1298 134 134 GLU H H 8.702 0.030 1 1299 134 134 GLU HA H 4.842 0.030 1 1300 134 134 GLU HB2 H 1.975 0.030 2 1301 134 134 GLU HB3 H 1.778 0.030 2 1302 134 134 GLU HG2 H 1.856 0.030 2 1303 134 134 GLU HG3 H 2.042 0.030 2 1304 134 134 GLU C C 173.741 0.300 1 1305 134 134 GLU CA C 55.445 0.300 1 1306 134 134 GLU CB C 32.184 0.300 1 1307 134 134 GLU CG C 36.866 0.300 1 1308 134 134 GLU N N 127.901 0.300 1 1309 135 135 CYS H H 9.306 0.030 1 1310 135 135 CYS HA H 4.941 0.030 1 1311 135 135 CYS HB2 H 2.861 0.030 2 1312 135 135 CYS HB3 H 2.528 0.030 2 1313 135 135 CYS C C 174.904 0.300 1 1314 135 135 CYS CA C 57.165 0.300 1 1315 135 135 CYS CB C 29.267 0.300 1 1316 135 135 CYS N N 126.909 0.300 1 1317 136 136 ARG H H 9.229 0.030 1 1318 136 136 ARG HA H 4.724 0.030 1 1319 136 136 ARG HB2 H 2.003 0.030 2 1320 136 136 ARG HB3 H 2.161 0.030 2 1321 136 136 ARG HD2 H 3.280 0.030 1 1322 136 136 ARG HD3 H 3.280 0.030 1 1323 136 136 ARG HG2 H 1.903 0.030 1 1324 136 136 ARG HG3 H 1.903 0.030 1 1325 136 136 ARG C C 178.634 0.300 1 1326 136 136 ARG CA C 56.678 0.300 1 1327 136 136 ARG CB C 29.748 0.300 1 1328 136 136 ARG CD C 43.444 0.300 1 1329 136 136 ARG CG C 27.567 0.300 1 1330 136 136 ARG N N 130.498 0.300 1 1331 137 137 VAL H H 8.590 0.030 1 1332 137 137 VAL HA H 3.727 0.030 1 1333 137 137 VAL HB H 2.287 0.030 1 1334 137 137 VAL HG1 H 0.853 0.030 1 1335 137 137 VAL HG2 H 0.954 0.030 1 1336 137 137 VAL C C 176.866 0.300 1 1337 137 137 VAL CA C 66.389 0.300 1 1338 137 137 VAL CB C 30.980 0.300 1 1339 137 137 VAL CG1 C 21.760 0.300 2 1340 137 137 VAL CG2 C 20.430 0.300 2 1341 137 137 VAL N N 122.547 0.300 1 1342 138 138 ARG H H 8.064 0.030 1 1343 138 138 ARG HA H 4.007 0.030 1 1344 138 138 ARG HB2 H 1.645 0.030 2 1345 138 138 ARG HB3 H 1.206 0.030 2 1346 138 138 ARG HD2 H 2.432 0.030 2 1347 138 138 ARG HD3 H 2.646 0.030 2 1348 138 138 ARG HG2 H 1.058 0.030 2 1349 138 138 ARG HG3 H 0.490 0.030 2 1350 138 138 ARG C C 175.388 0.300 1 1351 138 138 ARG CA C 58.007 0.300 1 1352 138 138 ARG CB C 29.421 0.300 1 1353 138 138 ARG CD C 42.909 0.300 1 1354 138 138 ARG CG C 26.064 0.300 1 1355 138 138 ARG N N 118.322 0.300 1 1356 139 139 PHE H H 8.199 0.030 1 1357 139 139 PHE HA H 5.023 0.030 1 1358 139 139 PHE HB2 H 4.407 0.030 2 1359 139 139 PHE HB3 H 2.944 0.030 2 1360 139 139 PHE HD1 H 7.417 0.030 1 1361 139 139 PHE HD2 H 7.417 0.030 1 1362 139 139 PHE HE1 H 7.309 0.030 1 1363 139 139 PHE HE2 H 7.309 0.030 1 1364 139 139 PHE C C 173.039 0.300 1 1365 139 139 PHE CA C 57.801 0.300 1 1366 139 139 PHE CB C 39.417 0.300 1 1367 139 139 PHE CD1 C 131.689 0.300 1 1368 139 139 PHE CD2 C 131.689 0.300 1 1369 139 139 PHE CE1 C 131.307 0.300 1 1370 139 139 PHE CE2 C 131.307 0.300 1 1371 139 139 PHE N N 115.578 0.300 1 1372 140 140 LEU H H 7.809 0.030 1 1373 140 140 LEU HA H 4.829 0.030 1 1374 140 140 LEU HB2 H 2.021 0.030 2 1375 140 140 LEU HB3 H 1.439 0.030 2 1376 140 140 LEU HD1 H 0.254 0.030 1 1377 140 140 LEU HD2 H 0.737 0.030 1 1378 140 140 LEU HG H 1.640 0.030 1 1379 140 140 LEU C C 175.388 0.300 1 1380 140 140 LEU CA C 54.952 0.300 1 1381 140 140 LEU CB C 43.280 0.300 1 1382 140 140 LEU CD1 C 26.363 0.300 2 1383 140 140 LEU CD2 C 25.595 0.300 2 1384 140 140 LEU CG C 28.632 0.300 1 1385 140 140 LEU N N 125.637 0.300 1 1386 141 141 SER H H 8.949 0.030 1 1387 141 141 SER HA H 3.919 0.030 1 1388 141 141 SER HB2 H 3.170 0.030 2 1389 141 141 SER HB3 H 2.251 0.030 2 1390 141 141 SER C C 177.011 0.300 1 1391 141 141 SER CA C 60.458 0.300 1 1392 141 141 SER CB C 62.844 0.300 1 1393 141 141 SER N N 120.685 0.300 1 1394 142 142 PHE H H 7.691 0.030 1 1395 142 142 PHE HA H 5.500 0.030 1 1396 142 142 PHE HB2 H 3.685 0.030 2 1397 142 142 PHE HB3 H 2.612 0.030 2 1398 142 142 PHE HD1 H 7.034 0.030 1 1399 142 142 PHE HD2 H 7.034 0.030 1 1400 142 142 PHE HE1 H 7.267 0.030 1 1401 142 142 PHE HE2 H 7.267 0.030 1 1402 142 142 PHE HZ H 7.394 0.030 1 1403 142 142 PHE C C 172.094 0.300 1 1404 142 142 PHE CA C 57.335 0.300 1 1405 142 142 PHE CB C 46.265 0.300 1 1406 142 142 PHE CE1 C 130.702 0.300 1 1407 142 142 PHE CE2 C 130.702 0.300 1 1408 142 142 PHE N N 124.497 0.300 1 1409 143 143 MET H H 7.613 0.030 1 1410 143 143 MET HA H 5.291 0.030 1 1411 143 143 MET HB2 H 2.059 0.030 2 1412 143 143 MET HB3 H 2.364 0.030 2 1413 143 143 MET HE H 2.014 0.030 1 1414 143 143 MET HG2 H 2.280 0.030 2 1415 143 143 MET HG3 H 2.679 0.030 2 1416 143 143 MET C C 171.223 0.300 1 1417 143 143 MET CA C 54.199 0.300 1 1418 143 143 MET CB C 37.033 0.300 1 1419 143 143 MET CE C 19.794 0.300 1 1420 143 143 MET CG C 31.679 0.300 1 1421 143 143 MET N N 121.830 0.300 1 1422 144 144 GLY H H 8.126 0.030 1 1423 144 144 GLY HA2 H 4.173 0.030 2 1424 144 144 GLY HA3 H 3.792 0.030 2 1425 144 144 GLY C C 169.043 0.300 1 1426 144 144 GLY CA C 46.075 0.300 1 1427 144 144 GLY N N 103.082 0.300 1 1428 145 145 VAL H H 6.868 0.030 1 1429 145 145 VAL HA H 4.918 0.030 1 1430 145 145 VAL HB H 1.277 0.030 1 1431 145 145 VAL HG1 H 0.926 0.030 1 1432 145 145 VAL HG2 H 1.275 0.030 1 1433 145 145 VAL C C 175.001 0.300 1 1434 145 145 VAL CA C 59.521 0.300 1 1435 145 145 VAL CB C 35.691 0.300 1 1436 145 145 VAL CG1 C 23.054 0.300 2 1437 145 145 VAL CG2 C 20.288 0.300 2 1438 145 145 VAL N N 119.165 0.300 1 1439 146 146 GLY H H 7.519 0.030 1 1440 146 146 GLY HA2 H 4.634 0.030 2 1441 146 146 GLY HA3 H 3.738 0.030 2 1442 146 146 GLY C C 172.191 0.300 1 1443 146 146 GLY CA C 44.924 0.300 1 1444 146 146 GLY N N 110.902 0.300 1 1445 147 147 LYS H H 8.092 0.030 1 1446 147 147 LYS HA H 3.806 0.030 1 1447 147 147 LYS HB2 H 1.740 0.030 1 1448 147 147 LYS HB3 H 1.740 0.030 1 1449 147 147 LYS HD2 H 1.661 0.030 1 1450 147 147 LYS HD3 H 1.661 0.030 1 1451 147 147 LYS HE2 H 2.912 0.030 2 1452 147 147 LYS HE3 H 2.965 0.030 2 1453 147 147 LYS HG2 H 1.416 0.030 1 1454 147 147 LYS HG3 H 1.416 0.030 1 1455 147 147 LYS C C 177.956 0.300 1 1456 147 147 LYS CA C 59.229 0.300 1 1457 147 147 LYS CB C 32.335 0.300 1 1458 147 147 LYS CD C 29.061 0.300 1 1459 147 147 LYS CE C 42.129 0.300 1 1460 147 147 LYS CG C 25.115 0.300 1 1461 147 147 LYS N N 117.749 0.300 1 1462 148 148 ASP H H 8.418 0.030 1 1463 148 148 ASP HA H 4.930 0.030 1 1464 148 148 ASP HB2 H 2.446 0.030 2 1465 148 148 ASP HB3 H 2.868 0.030 2 1466 148 148 ASP C C 178.149 0.300 1 1467 148 148 ASP CA C 52.877 0.300 1 1468 148 148 ASP CB C 42.574 0.300 1 1469 148 148 ASP N N 116.590 0.300 1 1470 149 149 VAL H H 8.427 0.030 1 1471 149 149 VAL HA H 3.790 0.030 1 1472 149 149 VAL HB H 2.271 0.030 1 1473 149 149 VAL HG1 H 0.971 0.030 1 1474 149 149 VAL HG2 H 0.673 0.030 1 1475 149 149 VAL C C 175.291 0.300 1 1476 149 149 VAL CA C 63.823 0.300 1 1477 149 149 VAL CB C 31.679 0.300 1 1478 149 149 VAL CG1 C 21.252 0.300 2 1479 149 149 VAL CG2 C 17.607 0.300 2 1480 149 149 VAL N N 121.365 0.300 1 1481 150 150 HIS H H 9.003 0.030 1 1482 150 150 HIS HA H 3.934 0.030 1 1483 150 150 HIS HB2 H 0.637 0.030 2 1484 150 150 HIS HB3 H 1.463 0.030 2 1485 150 150 HIS HD2 H 7.021 0.030 1 1486 150 150 HIS HE1 H 8.625 0.030 1 1487 150 150 HIS C C 176.285 0.300 1 1488 150 150 HIS CA C 58.055 0.300 1 1489 150 150 HIS CB C 25.855 0.300 1 1490 150 150 HIS CD2 C 121.157 0.300 1 1491 150 150 HIS CE1 C 134.670 0.300 1 1492 150 150 HIS N N 117.203 0.300 1 1493 151 151 THR H H 8.476 0.030 1 1494 151 151 THR HA H 5.172 0.030 1 1495 151 151 THR HB H 3.887 0.030 1 1496 151 151 THR HG2 H 1.343 0.030 1 1497 151 151 THR C C 172.240 0.300 1 1498 151 151 THR CA C 60.309 0.300 1 1499 151 151 THR CB C 71.883 0.300 1 1500 151 151 THR CG2 C 24.268 0.300 1 1501 151 151 THR N N 109.487 0.300 1 1502 152 152 PHE H H 8.735 0.030 1 1503 152 152 PHE HA H 5.306 0.030 1 1504 152 152 PHE HB2 H 3.194 0.030 2 1505 152 152 PHE HB3 H 2.441 0.030 2 1506 152 152 PHE HD1 H 6.951 0.030 1 1507 152 152 PHE HD2 H 6.951 0.030 1 1508 152 152 PHE HE1 H 6.974 0.030 1 1509 152 152 PHE HE2 H 6.974 0.030 1 1510 152 152 PHE HZ H 7.179 0.030 1 1511 152 152 PHE C C 172.482 0.300 1 1512 152 152 PHE CA C 54.869 0.300 1 1513 152 152 PHE CB C 44.677 0.300 1 1514 152 152 PHE CD1 C 131.711 0.300 1 1515 152 152 PHE CD2 C 131.711 0.300 1 1516 152 152 PHE CE1 C 130.641 0.300 1 1517 152 152 PHE CE2 C 130.641 0.300 1 1518 152 152 PHE CZ C 129.338 0.300 1 1519 152 152 PHE N N 121.395 0.300 1 1520 153 153 ALA H H 7.992 0.030 1 1521 153 153 ALA HA H 5.481 0.030 1 1522 153 153 ALA HB H 0.989 0.030 1 1523 153 153 ALA C C 174.177 0.300 1 1524 153 153 ALA CA C 49.838 0.300 1 1525 153 153 ALA CB C 25.191 0.300 1 1526 153 153 ALA N N 127.533 0.300 1 1527 154 154 PHE H H 8.028 0.030 1 1528 154 154 PHE HA H 5.460 0.030 1 1529 154 154 PHE HB2 H 3.379 0.030 2 1530 154 154 PHE HB3 H 2.724 0.030 2 1531 154 154 PHE HD1 H 7.039 0.030 1 1532 154 154 PHE HD2 H 7.039 0.030 1 1533 154 154 PHE HE1 H 7.163 0.030 1 1534 154 154 PHE HE2 H 7.163 0.030 1 1535 154 154 PHE HZ H 6.774 0.030 1 1536 154 154 PHE C C 172.458 0.300 1 1537 154 154 PHE CA C 55.007 0.300 1 1538 154 154 PHE CB C 43.071 0.300 1 1539 154 154 PHE CD1 C 132.195 0.300 1 1540 154 154 PHE CD2 C 132.195 0.300 1 1541 154 154 PHE CE1 C 130.887 0.300 1 1542 154 154 PHE CE2 C 130.887 0.300 1 1543 154 154 PHE CZ C 127.729 0.300 1 1544 154 154 PHE N N 111.376 0.300 1 1545 155 155 ILE H H 9.279 0.030 1 1546 155 155 ILE HA H 5.037 0.030 1 1547 155 155 ILE HB H 1.719 0.030 1 1548 155 155 ILE HD1 H 0.601 0.030 1 1549 155 155 ILE HG12 H 0.585 0.030 2 1550 155 155 ILE HG13 H 1.674 0.030 2 1551 155 155 ILE HG2 H 0.851 0.030 1 1552 155 155 ILE C C 173.935 0.300 1 1553 155 155 ILE CA C 60.685 0.300 1 1554 155 155 ILE CB C 39.944 0.300 1 1555 155 155 ILE CD1 C 12.869 0.300 1 1556 155 155 ILE CG1 C 28.622 0.300 1 1557 155 155 ILE CG2 C 18.783 0.300 1 1558 155 155 ILE N N 121.178 0.300 1 1559 156 156 MET H H 9.505 0.030 1 1560 156 156 MET HA H 5.785 0.030 1 1561 156 156 MET HB2 H 2.341 0.030 2 1562 156 156 MET HB3 H 2.307 0.030 2 1563 156 156 MET HE H 2.205 0.030 1 1564 156 156 MET HG2 H 2.694 0.030 1 1565 156 156 MET HG3 H 2.694 0.030 1 1566 156 156 MET C C 174.056 0.300 1 1567 156 156 MET CA C 53.174 0.300 1 1568 156 156 MET CB C 37.905 0.300 1 1569 156 156 MET CE C 17.649 0.300 1 1570 156 156 MET CG C 31.751 0.300 1 1571 156 156 MET N N 123.763 0.300 1 1572 157 157 ASP H H 9.439 0.030 1 1573 157 157 ASP HA H 5.032 0.030 1 1574 157 157 ASP HB2 H 2.934 0.030 2 1575 157 157 ASP HB3 H 3.577 0.030 2 1576 157 157 ASP C C 176.938 0.300 1 1577 157 157 ASP CA C 52.897 0.300 1 1578 157 157 ASP CB C 43.280 0.300 1 1579 157 157 ASP N N 124.498 0.300 1 1580 158 158 THR H H 8.501 0.030 1 1581 158 158 THR HA H 4.283 0.030 1 1582 158 158 THR HB H 4.485 0.030 1 1583 158 158 THR HG2 H 1.208 0.030 1 1584 158 158 THR C C 175.001 0.300 1 1585 158 158 THR CA C 61.856 0.300 1 1586 158 158 THR CB C 68.730 0.300 1 1587 158 158 THR CG2 C 21.992 0.300 1 1588 158 158 THR N N 116.317 0.300 1 1589 159 159 GLY H H 8.960 0.030 1 1590 159 159 GLY HA2 H 3.543 0.030 2 1591 159 159 GLY HA3 H 4.298 0.030 2 1592 159 159 GLY C C 173.959 0.300 1 1593 159 159 GLY CA C 44.677 0.300 1 1594 159 159 GLY N N 113.053 0.300 1 1595 160 160 ASN H H 8.771 0.030 1 1596 160 160 ASN HA H 4.411 0.030 1 1597 160 160 ASN HB2 H 2.578 0.030 2 1598 160 160 ASN HB3 H 2.850 0.030 2 1599 160 160 ASN HD21 H 6.851 0.030 2 1600 160 160 ASN HD22 H 7.482 0.030 2 1601 160 160 ASN C C 173.959 0.300 1 1602 160 160 ASN CA C 53.599 0.300 1 1603 160 160 ASN CB C 37.764 0.300 1 1604 160 160 ASN N N 118.182 0.300 1 1605 160 160 ASN ND2 N 112.973 0.300 1 1606 161 161 GLN H H 9.028 0.030 1 1607 161 161 GLN HA H 3.251 0.030 1 1608 161 161 GLN HB2 H 2.229 0.030 2 1609 161 161 GLN HB3 H 2.144 0.030 2 1610 161 161 GLN HE21 H 7.707 0.030 2 1611 161 161 GLN HE22 H 6.800 0.030 2 1612 161 161 GLN HG2 H 2.265 0.030 1 1613 161 161 GLN HG3 H 2.265 0.030 1 1614 161 161 GLN C C 173.790 0.300 1 1615 161 161 GLN CA C 56.953 0.300 1 1616 161 161 GLN CB C 25.815 0.300 1 1617 161 161 GLN CG C 34.957 0.300 1 1618 161 161 GLN N N 112.273 0.300 1 1619 161 161 GLN NE2 N 112.959 0.300 1 1620 162 162 ARG H H 6.828 0.030 1 1621 162 162 ARG HA H 4.293 0.030 1 1622 162 162 ARG HB2 H 1.656 0.030 1 1623 162 162 ARG HB3 H 1.656 0.030 1 1624 162 162 ARG HD2 H 3.112 0.030 1 1625 162 162 ARG HD3 H 3.112 0.030 1 1626 162 162 ARG HG2 H 1.382 0.030 2 1627 162 162 ARG HG3 H 1.533 0.030 2 1628 162 162 ARG C C 174.759 0.300 1 1629 162 162 ARG CA C 54.693 0.300 1 1630 162 162 ARG CB C 30.222 0.300 1 1631 162 162 ARG CD C 43.280 0.300 1 1632 162 162 ARG CG C 27.101 0.300 1 1633 162 162 ARG N N 118.080 0.300 1 1634 163 163 PHE H H 8.280 0.030 1 1635 163 163 PHE HA H 5.604 0.030 1 1636 163 163 PHE HB2 H 2.827 0.030 2 1637 163 163 PHE HB3 H 2.667 0.030 2 1638 163 163 PHE HD1 H 6.892 0.030 1 1639 163 163 PHE HD2 H 6.892 0.030 1 1640 163 163 PHE HE1 H 7.289 0.030 1 1641 163 163 PHE HE2 H 7.289 0.030 1 1642 163 163 PHE HZ H 7.254 0.030 1 1643 163 163 PHE C C 176.285 0.300 1 1644 163 163 PHE CA C 56.407 0.300 1 1645 163 163 PHE CB C 41.099 0.300 1 1646 163 163 PHE CD1 C 131.452 0.300 1 1647 163 163 PHE CD2 C 131.452 0.300 1 1648 163 163 PHE CE1 C 131.322 0.300 1 1649 163 163 PHE CE2 C 131.322 0.300 1 1650 163 163 PHE CZ C 129.338 0.300 1 1651 163 163 PHE N N 123.389 0.300 1 1652 164 164 GLU H H 9.253 0.030 1 1653 164 164 GLU HA H 4.618 0.030 1 1654 164 164 GLU HB2 H 1.915 0.030 2 1655 164 164 GLU HB3 H 1.661 0.030 2 1656 164 164 GLU HG2 H 2.195 0.030 2 1657 164 164 GLU HG3 H 2.256 0.030 2 1658 164 164 GLU C C 174.226 0.300 1 1659 164 164 GLU CA C 54.869 0.300 1 1660 164 164 GLU CB C 34.157 0.300 1 1661 164 164 GLU CG C 36.449 0.300 1 1662 164 164 GLU N N 121.130 0.300 1 1663 165 165 CYS H H 8.921 0.030 1 1664 165 165 CYS HA H 5.442 0.030 1 1665 165 165 CYS HB2 H 2.408 0.030 2 1666 165 165 CYS HB3 H 2.618 0.030 2 1667 165 165 CYS C C 172.627 0.300 1 1668 165 165 CYS CA C 56.421 0.300 1 1669 165 165 CYS CB C 29.220 0.300 1 1670 165 165 CYS N N 124.124 0.300 1 1671 166 166 HIS H H 8.415 0.030 1 1672 166 166 HIS HA H 4.697 0.030 1 1673 166 166 HIS HB2 H 2.596 0.030 2 1674 166 166 HIS HB3 H 1.715 0.030 2 1675 166 166 HIS HD2 H 6.492 0.030 1 1676 166 166 HIS HE1 H 7.699 0.030 1 1677 166 166 HIS C C 174.274 0.300 1 1678 166 166 HIS CA C 55.538 0.300 1 1679 166 166 HIS CB C 34.157 0.300 1 1680 166 166 HIS CD2 C 116.376 0.300 1 1681 166 166 HIS CE1 C 138.921 0.300 1 1682 166 166 HIS N N 128.814 0.300 1 1683 167 167 VAL H H 7.565 0.030 1 1684 167 167 VAL HA H 4.571 0.030 1 1685 167 167 VAL HB H 1.417 0.030 1 1686 167 167 VAL HG1 H 0.848 0.030 1 1687 167 167 VAL HG2 H 0.595 0.030 1 1688 167 167 VAL C C 173.475 0.300 1 1689 167 167 VAL CA C 61.560 0.300 1 1690 167 167 VAL CB C 33.533 0.300 1 1691 167 167 VAL CG1 C 24.047 0.300 2 1692 167 167 VAL CG2 C 22.567 0.300 2 1693 167 167 VAL N N 119.758 0.300 1 1694 168 168 PHE H H 9.489 0.030 1 1695 168 168 PHE HA H 5.431 0.030 1 1696 168 168 PHE HB2 H 3.207 0.030 2 1697 168 168 PHE HB3 H 2.788 0.030 2 1698 168 168 PHE HD1 H 7.249 0.030 1 1699 168 168 PHE HD2 H 7.249 0.030 1 1700 168 168 PHE HE1 H 6.895 0.030 1 1701 168 168 PHE HE2 H 6.895 0.030 1 1702 168 168 PHE HZ H 6.774 0.030 1 1703 168 168 PHE C C 173.354 0.300 1 1704 168 168 PHE CA C 56.678 0.300 1 1705 168 168 PHE CB C 43.198 0.300 1 1706 168 168 PHE CD1 C 132.359 0.300 1 1707 168 168 PHE CD2 C 132.359 0.300 1 1708 168 168 PHE CE1 C 131.530 0.300 1 1709 168 168 PHE CE2 C 131.530 0.300 1 1710 168 168 PHE CZ C 128.029 0.300 1 1711 168 168 PHE N N 124.072 0.300 1 1712 169 169 TRP H H 9.300 0.030 1 1713 169 169 TRP HA H 4.883 0.030 1 1714 169 169 TRP HB2 H 3.208 0.030 2 1715 169 169 TRP HB3 H 2.915 0.030 2 1716 169 169 TRP HD1 H 7.298 0.030 1 1717 169 169 TRP HE1 H 10.653 0.030 1 1718 169 169 TRP HE3 H 7.241 0.030 1 1719 169 169 TRP HH2 H 7.161 0.030 1 1720 169 169 TRP HZ2 H 6.552 0.030 1 1721 169 169 TRP HZ3 H 7.009 0.030 1 1722 169 169 TRP C C 176.067 0.300 1 1723 169 169 TRP CA C 56.760 0.300 1 1724 169 169 TRP CB C 31.280 0.300 1 1725 169 169 TRP CD1 C 127.284 0.300 1 1726 169 169 TRP CE3 C 120.453 0.300 1 1727 169 169 TRP CH2 C 124.607 0.300 1 1728 169 169 TRP CZ2 C 114.150 0.300 1 1729 169 169 TRP CZ3 C 121.403 0.300 1 1730 169 169 TRP N N 122.430 0.300 1 1731 169 169 TRP NE1 N 131.722 0.300 1 1732 170 170 CYS H H 9.320 0.030 1 1733 170 170 CYS HA H 4.820 0.030 1 1734 170 170 CYS HB2 H 2.806 0.030 2 1735 170 170 CYS HB3 H 2.382 0.030 2 1736 170 170 CYS C C 173.015 0.300 1 1737 170 170 CYS CA C 57.171 0.300 1 1738 170 170 CYS CB C 30.777 0.300 1 1739 170 170 CYS N N 129.668 0.300 1 1740 171 171 GLU H H 8.826 0.030 1 1741 171 171 GLU HA H 4.674 0.030 1 1742 171 171 GLU HB2 H 1.940 0.030 2 1743 171 171 GLU HB3 H 2.159 0.030 2 1744 171 171 GLU HG2 H 2.645 0.030 2 1745 171 171 GLU HG3 H 2.486 0.030 2 1746 171 171 GLU C C 176.720 0.300 1 1747 171 171 GLU CA C 53.225 0.300 1 1748 171 171 GLU CB C 30.948 0.300 1 1749 171 171 GLU CG C 35.026 0.300 1 1750 171 171 GLU N N 120.023 0.300 1 1751 172 172 PRO HA H 5.097 0.030 1 1752 172 172 PRO HB2 H 2.496 0.030 2 1753 172 172 PRO HB3 H 2.148 0.030 2 1754 172 172 PRO HD2 H 3.579 0.030 2 1755 172 172 PRO HD3 H 3.887 0.030 2 1756 172 172 PRO HG2 H 2.104 0.030 2 1757 172 172 PRO HG3 H 1.789 0.030 2 1758 172 172 PRO C C 175.364 0.300 1 1759 172 172 PRO CA C 64.254 0.300 1 1760 172 172 PRO CB C 33.835 0.300 1 1761 172 172 PRO CD C 49.817 0.300 1 1762 172 172 PRO CG C 24.704 0.300 1 1763 173 173 ASN H H 7.398 0.030 1 1764 173 173 ASN HA H 3.833 0.030 1 1765 173 173 ASN HB2 H 2.928 0.030 2 1766 173 173 ASN HB3 H 2.244 0.030 2 1767 173 173 ASN HD21 H 7.802 0.030 2 1768 173 173 ASN HD22 H 7.327 0.030 2 1769 173 173 ASN C C 174.395 0.300 1 1770 173 173 ASN CA C 52.583 0.300 1 1771 173 173 ASN CB C 38.483 0.300 1 1772 173 173 ASN N N 110.803 0.300 1 1773 173 173 ASN ND2 N 117.651 0.300 1 1774 174 174 ALA H H 8.568 0.030 1 1775 174 174 ALA HA H 4.181 0.030 1 1776 174 174 ALA HB H 1.268 0.030 1 1777 174 174 ALA C C 177.714 0.300 1 1778 174 174 ALA CA C 52.321 0.300 1 1779 174 174 ALA CB C 20.707 0.300 1 1780 174 174 ALA N N 116.022 0.300 1 1781 175 175 ALA H H 9.089 0.030 1 1782 175 175 ALA HA H 3.582 0.030 1 1783 175 175 ALA HB H 1.390 0.030 1 1784 175 175 ALA C C 177.665 0.300 1 1785 175 175 ALA CA C 57.659 0.300 1 1786 175 175 ALA CB C 18.211 0.300 1 1787 175 175 ALA N N 125.387 0.300 1 1788 176 176 ASN H H 8.473 0.030 1 1789 176 176 ASN HA H 4.248 0.030 1 1790 176 176 ASN HB2 H 2.860 0.030 2 1791 176 176 ASN HB3 H 2.748 0.030 2 1792 176 176 ASN HD21 H 7.001 0.030 2 1793 176 176 ASN HD22 H 7.670 0.030 2 1794 176 176 ASN C C 178.246 0.300 1 1795 176 176 ASN CA C 56.184 0.300 1 1796 176 176 ASN CB C 37.236 0.300 1 1797 176 176 ASN N N 116.540 0.300 1 1798 176 176 ASN ND2 N 111.275 0.300 1 1799 177 177 VAL H H 8.159 0.030 1 1800 177 177 VAL HA H 2.180 0.030 1 1801 177 177 VAL HB H 1.061 0.030 1 1802 177 177 VAL HG1 H -0.167 0.030 1 1803 177 177 VAL HG2 H 0.150 0.030 1 1804 177 177 VAL C C 176.067 0.300 1 1805 177 177 VAL CA C 65.490 0.300 1 1806 177 177 VAL CB C 31.640 0.300 1 1807 177 177 VAL CG1 C 20.841 0.300 2 1808 177 177 VAL CG2 C 22.995 0.300 2 1809 177 177 VAL N N 121.923 0.300 1 1810 178 178 SER H H 7.268 0.030 1 1811 178 178 SER HA H 3.176 0.030 1 1812 178 178 SER HB2 H 3.650 0.030 2 1813 178 178 SER HB3 H 3.562 0.030 2 1814 178 178 SER C C 176.091 0.300 1 1815 178 178 SER CA C 61.167 0.300 1 1816 178 178 SER CB C 63.511 0.300 1 1817 178 178 SER N N 111.891 0.300 1 1818 179 179 GLU H H 7.886 0.030 1 1819 179 179 GLU HA H 3.637 0.030 1 1820 179 179 GLU HB2 H 1.739 0.030 2 1821 179 179 GLU HB3 H 1.453 0.030 2 1822 179 179 GLU HG2 H 1.827 0.030 2 1823 179 179 GLU HG3 H 1.682 0.030 2 1824 179 179 GLU C C 178.149 0.300 1 1825 179 179 GLU CA C 59.864 0.300 1 1826 179 179 GLU CB C 29.335 0.300 1 1827 179 179 GLU CG C 35.883 0.300 1 1828 179 179 GLU N N 122.385 0.300 1 1829 180 180 ALA H H 7.448 0.030 1 1830 180 180 ALA HA H 4.042 0.030 1 1831 180 180 ALA HB H 1.414 0.030 1 1832 180 180 ALA C C 180.063 0.300 1 1833 180 180 ALA CA C 54.796 0.300 1 1834 180 180 ALA CB C 19.071 0.300 1 1835 180 180 ALA N N 121.177 0.300 1 1836 181 181 VAL H H 7.946 0.030 1 1837 181 181 VAL HA H 3.306 0.030 1 1838 181 181 VAL HB H 1.829 0.030 1 1839 181 181 VAL HG1 H 0.699 0.030 1 1840 181 181 VAL HG2 H 0.694 0.030 1 1841 181 181 VAL C C 177.762 0.300 1 1842 181 181 VAL CA C 66.952 0.300 1 1843 181 181 VAL CB C 31.053 0.300 1 1844 181 181 VAL CG1 C 23.523 0.300 2 1845 181 181 VAL CG2 C 22.787 0.300 2 1846 181 181 VAL N N 117.848 0.300 1 1847 182 182 GLN H H 8.007 0.030 1 1848 182 182 GLN HA H 3.589 0.030 1 1849 182 182 GLN HB2 H 1.921 0.030 2 1850 182 182 GLN HB3 H 1.789 0.030 2 1851 182 182 GLN HE21 H 5.664 0.030 2 1852 182 182 GLN HE22 H 6.419 0.030 2 1853 182 182 GLN HG2 H 1.588 0.030 2 1854 182 182 GLN HG3 H 1.074 0.030 2 1855 182 182 GLN C C 178.585 0.300 1 1856 182 182 GLN CA C 60.130 0.300 1 1857 182 182 GLN CB C 28.485 0.300 1 1858 182 182 GLN CG C 32.805 0.300 1 1859 182 182 GLN N N 119.547 0.300 1 1860 182 182 GLN NE2 N 108.454 0.300 1 1861 183 183 ALA H H 7.928 0.030 1 1862 183 183 ALA HA H 4.035 0.030 1 1863 183 183 ALA HB H 1.408 0.030 1 1864 183 183 ALA C C 177.665 0.300 1 1865 183 183 ALA CA C 53.802 0.300 1 1866 183 183 ALA CB C 18.300 0.300 1 1867 183 183 ALA N N 119.253 0.300 1 1868 184 184 ALA H H 7.314 0.030 1 1869 184 184 ALA HA H 4.273 0.030 1 1870 184 184 ALA HB H 1.342 0.030 1 1871 184 184 ALA C C 177.181 0.300 1 1872 184 184 ALA CA C 52.157 0.300 1 1873 184 184 ALA CB C 18.978 0.300 1 1874 184 184 ALA N N 119.892 0.300 1 1875 185 185 CYS H H 7.092 0.030 1 1876 185 185 CYS HA H 4.061 0.030 1 1877 185 185 CYS HB2 H 3.174 0.030 2 1878 185 185 CYS HB3 H 3.304 0.030 2 1879 185 185 CYS C C 179.603 0.300 1 1880 185 185 CYS CA C 63.171 0.300 1 1881 185 185 CYS CB C 29.267 0.300 1 1882 185 185 CYS N N 120.991 0.300 1 stop_ save_