data_18663 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The third member of the eIF4E family represses gene expression via a novel mode of recognition of the methyl-7 guanosine cap moiety ; _BMRB_accession_number 18663 _BMRB_flat_file_name bmr18663.str _Entry_type original _Submission_date 2012-08-15 _Accession_date 2012-08-15 _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 Osborne M. J. . 2 Volpon Laurent . . 3 Kornblatt J. A. . 4 Culjkovic-kraljcic B. . . 5 Baguet A. . . 6 Borden K. L.B. . 7 Borden A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1083 "13C chemical shifts" 620 "15N chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-11 update BMRB 'update entry citation' 2013-02-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'eIF4E3 acts as a tumor suppressor by utilizing an atypical mode of methyl-7-guanosine cap recognition.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23431134 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Osborne Michael J. . 2 Volpon Laurent . . 3 Kornblatt Jack A. . 4 Culjkovic-Kraljacic Biljana . . 5 Baguet Aurelie . . 6 Borden Katherine L.B. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 110 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3877 _Page_last 3882 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'The third member of the eIF4E family represses gene expression via a novel mode of recognition of the methyl-7 guanosine cap mo' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE' $EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE stop_ _System_molecular_weight 22831.0043 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE _Molecular_mass 22831.0043 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MALPPAAAPPGANEPLDKAL SALPPEPGGVPLHSPWTFWL DRSLPGATAAECASNLKKIY TVQTVQIFWSVYNNIPPVTS LPLRCSYHLMRGERRPLWEE ESNAKGGVWKMKVPKDSTST VWKELLLATIGEQFTDCAAA DDEIIGVSVSVRDREDVVQV WNVNASLVGEATVLEKIHQL LPHIAFKAVFYKPHEEHHAF EGGRGKH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LEU 4 PRO 5 PRO 6 ALA 7 ALA 8 ALA 9 PRO 10 PRO 11 GLY 12 ALA 13 ASN 14 GLU 15 PRO 16 LEU 17 ASP 18 LYS 19 ALA 20 LEU 21 SER 22 ALA 23 LEU 24 PRO 25 PRO 26 GLU 27 PRO 28 GLY 29 GLY 30 VAL 31 PRO 32 LEU 33 HIS 34 SER 35 PRO 36 TRP 37 THR 38 PHE 39 TRP 40 LEU 41 ASP 42 ARG 43 SER 44 LEU 45 PRO 46 GLY 47 ALA 48 THR 49 ALA 50 ALA 51 GLU 52 CYS 53 ALA 54 SER 55 ASN 56 LEU 57 LYS 58 LYS 59 ILE 60 TYR 61 THR 62 VAL 63 GLN 64 THR 65 VAL 66 GLN 67 ILE 68 PHE 69 TRP 70 SER 71 VAL 72 TYR 73 ASN 74 ASN 75 ILE 76 PRO 77 PRO 78 VAL 79 THR 80 SER 81 LEU 82 PRO 83 LEU 84 ARG 85 CYS 86 SER 87 TYR 88 HIS 89 LEU 90 MET 91 ARG 92 GLY 93 GLU 94 ARG 95 ARG 96 PRO 97 LEU 98 TRP 99 GLU 100 GLU 101 GLU 102 SER 103 ASN 104 ALA 105 LYS 106 GLY 107 GLY 108 VAL 109 TRP 110 LYS 111 MET 112 LYS 113 VAL 114 PRO 115 LYS 116 ASP 117 SER 118 THR 119 SER 120 THR 121 VAL 122 TRP 123 LYS 124 GLU 125 LEU 126 LEU 127 LEU 128 ALA 129 THR 130 ILE 131 GLY 132 GLU 133 GLN 134 PHE 135 THR 136 ASP 137 CYS 138 ALA 139 ALA 140 ALA 141 ASP 142 ASP 143 GLU 144 ILE 145 ILE 146 GLY 147 VAL 148 SER 149 VAL 150 SER 151 VAL 152 ARG 153 ASP 154 ARG 155 GLU 156 ASP 157 VAL 158 VAL 159 GLN 160 VAL 161 TRP 162 ASN 163 VAL 164 ASN 165 ALA 166 SER 167 LEU 168 VAL 169 GLY 170 GLU 171 ALA 172 THR 173 VAL 174 LEU 175 GLU 176 LYS 177 ILE 178 HIS 179 GLN 180 LEU 181 LEU 182 PRO 183 HIS 184 ILE 185 ALA 186 PHE 187 LYS 188 ALA 189 VAL 190 PHE 191 TYR 192 LYS 193 PRO 194 HIS 195 GLU 196 GLU 197 HIS 198 HIS 199 ALA 200 PHE 201 GLU 202 GLY 203 GLY 204 ARG 205 GLY 206 LYS 207 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 18667 EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE 100.00 207 100.00 100.00 1.79e-149 PDB 4B6U "Solution Structure Of Eif4e3 In Complex With M7gdp" 99.03 207 100.00 100.00 1.67e-147 PDB 4B6V "The Third Member Of The Eif4e Family Represses Gene Expression Via A Novel Mode Of Recognition Of The Methyl-7 Guanosine Cap Mo" 99.52 207 100.00 100.00 1.38e-148 DBJ BAB23780 "unnamed protein product [Mus musculus]" 100.00 207 100.00 100.00 1.79e-149 DBJ BAB24928 "unnamed protein product [Mus musculus]" 100.00 207 99.52 99.52 5.66e-148 GB AAH27014 "Eukaryotic translation initiation factor 4E member 3 [Mus musculus]" 100.00 207 100.00 100.00 1.79e-149 GB AAI68936 "Eukaryotic translation initiation factor 4E member 3 [Rattus norvegicus]" 100.00 207 97.10 98.55 1.64e-145 GB AAT45741 "eukaryotic translation initiation factor-3 [Mus musculus]" 100.00 207 100.00 100.00 1.79e-149 GB EDK99365 "eukaryotic translation initiation factor 4E member 3 [Mus musculus]" 100.00 207 100.00 100.00 1.79e-149 GB EDL91436 "similar to eukaryotic translation initiation factor 4E member 3 [Rattus norvegicus]" 100.00 207 97.10 98.55 1.64e-145 REF NP_001100082 "eukaryotic translation initiation factor 4E type 3 [Rattus norvegicus]" 100.00 207 97.10 98.55 1.64e-145 REF NP_080105 "eukaryotic translation initiation factor 4E type 3 [Mus musculus]" 100.00 207 100.00 100.00 1.79e-149 REF XP_005547668 "PREDICTED: eukaryotic translation initiation factor 4E type 3 isoform X1 [Macaca fascicularis]" 81.16 195 97.02 98.81 4.67e-115 REF XP_005547669 "PREDICTED: eukaryotic translation initiation factor 4E type 3 isoform X2 [Macaca fascicularis]" 80.19 186 97.59 99.40 2.57e-116 REF XP_005547670 "PREDICTED: eukaryotic translation initiation factor 4E type 3 isoform X3 [Macaca fascicularis]" 79.71 180 97.58 99.39 3.11e-115 SP Q9DBB5 "RecName: Full=Eukaryotic translation initiation factor 4E type 3; Short=eIF-4E type 3; Short=eIF-4E3; Short=eIF4E type 3; Short" 100.00 207 100.00 100.00 1.79e-149 TPG DAA17098 "TPA: eukaryotic translation initiation factor 4E family member 3 [Bos taurus]" 64.73 166 97.01 98.51 7.22e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE 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 $EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) n/a pET-15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'eIF4E3 0.2mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE 0.2 mM '[U-13C; U-15N]' Phosphate 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' TCEP 100 uM 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version any loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version any loop_ _Vendor _Address _Electronic_address BRUNGER . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_UnityInova-800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [7.3], temp [293], pressure [1], ionStrength [100.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100.000 . mM pH 7.300 . pH pressure 1.000 . atm temperature 293.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449519 DSS H 1 'methyl protons' ppm 0.0 external indirect . . . 1.0 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_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b6v/ebi/CHEMICAL-SHIFTS_apo4E3_6.txt.csh' loop_ _Experiment_label NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE' _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 1 1 MET H H 8.372 0.002 1 2 1 1 MET HA H 4.427 0.002 1 3 1 1 MET HB2 H 2.039 0.004 2 4 1 1 MET HB3 H 1.965 0.001 2 5 1 1 MET CA C 55.521 . 1 6 1 1 MET CB C 32.538 . 1 7 1 1 MET N N 122.031 0.021 1 8 2 2 ALA H H 8.263 0.005 1 9 2 2 ALA HA H 4.305 0.004 1 10 2 2 ALA HB H 1.344 0.002 1 11 2 2 ALA CA C 51.936 0.001 1 12 2 2 ALA CB C 18.885 . 1 13 2 2 ALA N N 125.602 0.007 1 14 3 3 LEU H H 8.218 0.004 1 15 3 3 LEU HA H 4.580 0.002 1 16 3 3 LEU HB2 H 1.557 0.002 2 17 3 3 LEU HB3 H 1.518 0.002 2 18 3 3 LEU HG H 1.666 0.004 1 19 3 3 LEU HD1 H 0.896 0.004 2 20 3 3 LEU HD2 H 0.917 . 2 21 3 3 LEU CA C 52.588 . 1 22 3 3 LEU CB C 41.403 . 1 23 3 3 LEU CG C 27.455 . 1 24 3 3 LEU CD1 C 23.059 . 1 25 3 3 LEU N N 123.255 0.01 1 26 4 4 PRO HD2 H 3.853 0.002 2 27 4 4 PRO HD3 H 3.598 0.002 2 28 4 4 PRO CD C 50.126 0.011 1 29 5 5 PRO HA H 4.376 0.003 1 30 5 5 PRO HB2 H 2.288 0.004 2 31 5 5 PRO HB3 H 1.898 0.004 2 32 5 5 PRO HG3 H 2.019 0.002 1 33 5 5 PRO HD2 H 3.801 0.003 2 34 5 5 PRO HD3 H 3.641 0.001 2 35 5 5 PRO CA C 62.900 . 1 36 5 5 PRO CB C 31.813 0.013 1 37 5 5 PRO CG C 27.185 . 1 38 5 5 PRO CD C 50.096 . 1 39 6 6 ALA H H 8.344 0.005 1 40 6 6 ALA HA H 4.247 0.001 1 41 6 6 ALA HB H 1.365 0.001 1 42 6 6 ALA CA C 52.280 . 1 43 6 6 ALA CB C 18.836 . 1 44 6 6 ALA N N 124.133 0.05 1 45 7 7 ALA H H 8.246 0.007 1 46 7 7 ALA HA H 4.293 0.001 1 47 7 7 ALA HB H 1.351 0.002 1 48 7 7 ALA CA C 52.096 . 1 49 7 7 ALA CB C 19.032 . 1 50 7 7 ALA N N 123.494 0.027 1 51 8 8 ALA H H 8.239 0.006 1 52 8 8 ALA HA H 4.556 . 1 53 8 8 ALA HB H 1.320 0.002 1 54 8 8 ALA CA C 50.083 . 1 55 8 8 ALA CB C 17.773 . 1 56 8 8 ALA N N 124.787 0.07 1 57 9 9 PRO HA H 4.683 0.001 1 58 9 9 PRO HB2 H 2.337 0.001 2 59 9 9 PRO HB3 H 1.894 0.001 2 60 9 9 PRO HG2 H 2.042 . 2 61 9 9 PRO HG3 H 2.027 0.001 2 62 9 9 PRO HD2 H 3.799 0.002 2 63 9 9 PRO HD3 H 3.590 0.001 2 64 9 9 PRO CA C 61.166 . 1 65 9 9 PRO CB C 30.585 0.013 1 66 9 9 PRO CG C 27.146 0.001 1 67 9 9 PRO CD C 50.150 0.019 1 68 10 10 PRO HA H 4.405 0.003 1 69 10 10 PRO HB2 H 2.290 0.003 2 70 10 10 PRO HB3 H 1.933 0.003 2 71 10 10 PRO HG3 H 2.030 0.003 1 72 10 10 PRO HD2 H 3.804 0.001 2 73 10 10 PRO HD3 H 3.633 0.003 2 74 10 10 PRO CA C 63.104 . 1 75 10 10 PRO CB C 31.500 0.008 1 76 10 10 PRO CG C 27.362 . 1 77 10 10 PRO CD C 50.180 0.008 1 78 11 11 GLY H H 8.544 0.004 1 79 11 11 GLY HA3 H 3.945 0.004 1 80 11 11 GLY CA C 45.168 . 1 81 11 11 GLY N N 109.662 0.029 1 82 12 12 ALA H H 8.152 0.004 1 83 12 12 ALA HA H 4.301 0.005 1 84 12 12 ALA HB H 1.381 0.004 1 85 12 12 ALA CA C 52.573 . 1 86 12 12 ALA CB C 18.864 . 1 87 12 12 ALA N N 123.547 0.059 1 88 13 13 ASN H H 8.516 0.007 1 89 13 13 ASN HA H 4.697 0.001 1 90 13 13 ASN HB2 H 2.831 0.004 2 91 13 13 ASN HB3 H 2.689 0.003 2 92 13 13 ASN HD21 H 6.915 0.003 1 93 13 13 ASN HD22 H 7.634 0.002 1 94 13 13 ASN CA C 52.763 . 1 95 13 13 ASN CB C 38.806 0.008 1 96 13 13 ASN N N 117.435 0.072 1 97 13 13 ASN ND2 N 113.016 . 1 98 14 14 GLU H H 8.298 0.004 1 99 14 14 GLU HA H 4.556 0.001 1 100 14 14 GLU HB2 H 2.058 0.003 2 101 14 14 GLU HB3 H 1.925 0.002 2 102 14 14 GLU HG3 H 2.285 0.007 1 103 14 14 GLU CA C 55.051 . 1 104 14 14 GLU CB C 29.109 0.016 1 105 14 14 GLU CG C 35.621 . 1 106 14 14 GLU N N 122.307 0.009 1 107 15 15 PRO HA H 4.421 0.01 1 108 15 15 PRO HB2 H 2.296 0.005 2 109 15 15 PRO HB3 H 1.923 0.004 2 110 15 15 PRO HG3 H 2.027 0.002 1 111 15 15 PRO HD2 H 3.806 0.004 2 112 15 15 PRO HD3 H 3.631 0.004 2 113 15 15 PRO CA C 63.046 0.007 1 114 15 15 PRO CB C 31.555 0.032 1 115 15 15 PRO CG C 27.361 0.032 1 116 15 15 PRO CD C 50.124 0.016 1 117 16 16 LEU H H 8.385 0.005 1 118 16 16 LEU HA H 4.178 0.003 1 119 16 16 LEU HB2 H 1.607 0.002 1 120 16 16 LEU HB3 H 1.607 0.002 1 121 16 16 LEU HG H 1.618 0.004 1 122 16 16 LEU HD1 H 0.842 0.003 2 123 16 16 LEU HD2 H 0.868 . 2 124 16 16 LEU CA C 56.210 . 1 125 16 16 LEU CB C 41.785 0.032 1 126 16 16 LEU CG C 26.860 0.006 1 127 16 16 LEU CD1 C 24.089 . 1 128 16 16 LEU N N 121.615 0.048 1 129 17 17 ASP H H 8.189 0.005 1 130 17 17 ASP HA H 4.409 0.009 1 131 17 17 ASP HB2 H 2.689 0.005 2 132 17 17 ASP HB3 H 2.683 0.011 2 133 17 17 ASP CA C 55.257 . 1 134 17 17 ASP CB C 40.577 . 1 135 17 17 ASP N N 118.882 0.081 1 136 18 18 LYS H H 8.042 0.007 1 137 18 18 LYS HA H 4.137 0.003 1 138 18 18 LYS HB2 H 1.840 0.005 2 139 18 18 LYS HB3 H 1.798 0.002 2 140 18 18 LYS HG2 H 1.475 0.003 2 141 18 18 LYS HG3 H 1.413 0.003 2 142 18 18 LYS HD3 H 1.655 0.007 1 143 18 18 LYS HE2 H 2.981 0.003 2 144 18 18 LYS HE3 H 2.960 0.009 2 145 18 18 LYS CA C 57.450 . 1 146 18 18 LYS CB C 32.254 . 1 147 18 18 LYS CG C 24.534 . 1 148 18 18 LYS CD C 28.797 0.007 1 149 18 18 LYS CE C 41.800 0.016 1 150 18 18 LYS N N 121.355 0.023 1 151 19 19 ALA H H 8.161 0.004 1 152 19 19 ALA HA H 4.163 0.005 1 153 19 19 ALA HB H 1.403 0.001 1 154 19 19 ALA CA C 53.669 . 1 155 19 19 ALA CB C 18.148 0.064 1 156 19 19 ALA N N 123.388 0.091 1 157 20 20 LEU H H 8.095 0.006 1 158 20 20 LEU HA H 4.180 0.003 1 159 20 20 LEU HB2 H 1.727 0.003 2 160 20 20 LEU HB3 H 1.499 0.003 2 161 20 20 LEU HG H 1.656 0.005 1 162 20 20 LEU HD1 H 0.685 0.002 2 163 20 20 LEU HD2 H 0.738 0.003 2 164 20 20 LEU CA C 55.829 . 1 165 20 20 LEU CB C 41.324 0.016 1 166 20 20 LEU CG C 27.203 . 1 167 20 20 LEU CD1 C 22.914 . 2 168 20 20 LEU CD2 C 25.466 . 2 169 20 20 LEU N N 118.227 0.092 1 170 21 21 SER H H 7.980 0.008 1 171 21 21 SER HA H 4.344 0.005 1 172 21 21 SER HB2 H 3.939 0.004 2 173 21 21 SER HB3 H 3.915 0.003 2 174 21 21 SER CA C 59.197 . 1 175 21 21 SER CB C 63.263 . 1 176 21 21 SER N N 115.098 0.081 1 177 22 22 ALA H H 7.780 0.009 1 178 22 22 ALA HA H 4.386 0.005 1 179 22 22 ALA HB H 1.379 0.008 1 180 22 22 ALA CA C 51.858 . 1 181 22 22 ALA CB C 18.848 0.127 1 182 22 22 ALA N N 124.129 0.097 1 183 23 23 LEU H H 7.683 0.003 1 184 23 23 LEU HA H 4.496 0.002 1 185 23 23 LEU HB2 H 1.619 0.003 2 186 23 23 LEU HB3 H 1.478 0.005 2 187 23 23 LEU HG H 1.711 0.003 1 188 23 23 LEU HD1 H 0.830 0.004 2 189 23 23 LEU HD2 H 0.826 0.001 2 190 23 23 LEU CA C 52.844 0.036 1 191 23 23 LEU CB C 41.085 0.032 1 192 23 23 LEU CG C 26.758 . 1 193 23 23 LEU CD1 C 22.787 . 2 194 23 23 LEU CD2 C 23.279 . 2 195 23 23 LEU N N 122.139 0.017 1 196 24 24 PRO HD2 H 3.875 0.006 2 197 24 24 PRO HD3 H 3.583 0.001 2 198 25 25 PRO HA H 4.423 0.003 1 199 25 25 PRO HB2 H 2.276 0.004 2 200 25 25 PRO HB3 H 1.904 0.002 2 201 25 25 PRO CA C 62.776 0.01 1 202 25 25 PRO CB C 31.666 . 1 203 26 26 GLU H H 8.395 0.006 1 204 26 26 GLU HA H 4.601 0.004 1 205 26 26 GLU HB2 H 2.032 0.004 2 206 26 26 GLU HB3 H 1.883 0.003 2 207 26 26 GLU HG3 H 2.261 0.002 1 208 26 26 GLU CA C 54.209 . 1 209 26 26 GLU CB C 29.236 . 1 210 26 26 GLU CG C 36.543 . 1 211 26 26 GLU N N 122.116 0.013 1 212 27 27 PRO HD2 H 3.774 0.008 2 213 27 27 PRO HD3 H 3.728 0.004 2 214 27 27 PRO CD C 50.378 . 1 215 28 28 GLY H H 8.569 0.006 1 216 28 28 GLY HA2 H 3.986 0.004 1 217 28 28 GLY HA3 H 3.986 0.004 1 218 28 28 GLY CA C 45.028 0.012 1 219 28 28 GLY N N 109.207 0.074 1 220 29 29 GLY H H 8.255 0.004 1 221 29 29 GLY HA2 H 4.067 0.003 2 222 29 29 GLY HA3 H 4.047 0.002 2 223 29 29 GLY CA C 44.659 0.016 1 224 29 29 GLY N N 108.931 0.041 1 225 30 30 VAL H H 8.838 0.003 1 226 30 30 VAL HA H 4.396 0.002 1 227 30 30 VAL HB H 2.109 0.003 1 228 30 30 VAL HG1 H 1.024 0.002 2 229 30 30 VAL HG2 H 1.098 0.004 2 230 30 30 VAL CA C 60.372 . 1 231 30 30 VAL CB C 32.349 . 1 232 30 30 VAL CG1 C 20.722 . 2 233 30 30 VAL CG2 C 20.754 . 2 234 30 30 VAL N N 123.730 0.069 1 235 31 31 PRO HA H 4.655 0.002 1 236 31 31 PRO HB2 H 2.397 0.001 2 237 31 31 PRO HB3 H 1.994 . 2 238 31 31 PRO HD2 H 4.122 . 2 239 31 31 PRO HD3 H 3.795 . 2 240 31 31 PRO CA C 62.929 . 1 241 31 31 PRO CB C 32.206 . 1 242 32 32 LEU H H 7.759 0.006 1 243 32 32 LEU HA H 4.592 0.004 1 244 32 32 LEU HG H 1.292 0.001 1 245 32 32 LEU HD1 H 0.710 0.004 2 246 32 32 LEU HD2 H 0.905 0.004 2 247 32 32 LEU CA C 53.462 . 1 248 32 32 LEU CG C 27.544 . 1 249 32 32 LEU CD1 C 23.295 . 2 250 32 32 LEU CD2 C 26.155 . 2 251 32 32 LEU N N 121.156 0.039 1 252 33 33 HIS H H 9.152 0.005 1 253 33 33 HIS HA H 4.220 0.006 1 254 33 33 HIS HB2 H 3.560 0.009 2 255 33 33 HIS HB3 H 3.334 0.001 2 256 33 33 HIS CA C 59.736 . 1 257 33 33 HIS CB C 29.506 0.016 1 258 33 33 HIS N N 123.333 0.08 1 259 34 34 SER H H 8.254 0.004 1 260 34 34 SER HA H 4.798 0.001 1 261 34 34 SER HB2 H 3.454 0.011 2 262 34 34 SER HB3 H 3.420 0.012 2 263 34 34 SER CA C 54.503 . 1 264 34 34 SER CB C 65.836 . 1 265 34 34 SER N N 112.278 0.071 1 266 35 35 PRO HA H 5.173 0.002 1 267 35 35 PRO CA C 61.931 . 1 268 36 36 TRP H H 8.462 0.004 1 269 36 36 TRP HA H 5.162 0.005 1 270 36 36 TRP HB2 H 2.936 0.004 2 271 36 36 TRP HB3 H 2.533 0.005 2 272 36 36 TRP HE1 H 11.252 0.01 1 273 36 36 TRP CA C 56.528 . 1 274 36 36 TRP CB C 32.759 0.012 1 275 36 36 TRP N N 119.591 0.082 1 276 36 36 TRP NE1 N 132.897 . 1 277 37 37 THR H H 9.949 0.004 1 278 37 37 THR HA H 5.373 0.001 1 279 37 37 THR HB H 4.115 0.001 1 280 37 37 THR HG2 H 0.400 0.001 1 281 37 37 THR CA C 61.992 . 1 282 37 37 THR CB C 71.268 . 1 283 37 37 THR CG2 C 21.110 0.025 1 284 37 37 THR N N 118.568 0.017 1 285 38 38 PHE H H 8.870 0.009 1 286 38 38 PHE HA H 5.700 0.001 1 287 38 38 PHE HB2 H 2.970 0.004 2 288 38 38 PHE HB3 H 2.942 0.003 2 289 38 38 PHE CA C 57.894 . 1 290 38 38 PHE CB C 43.331 0.041 1 291 38 38 PHE N N 125.225 0.038 1 292 39 39 TRP H H 10.148 0.008 1 293 39 39 TRP HA H 5.458 0.005 1 294 39 39 TRP HB2 H 3.394 0.003 2 295 39 39 TRP HB3 H 3.388 0.01 2 296 39 39 TRP HD1 H 7.132 0.001 1 297 39 39 TRP HE1 H 9.692 . 1 298 39 39 TRP HE3 H 7.270 0.002 1 299 39 39 TRP HZ2 H 7.274 0.001 1 300 39 39 TRP HZ3 H 7.034 0.001 1 301 39 39 TRP HH2 H 7.202 0.002 1 302 39 39 TRP CA C 56.496 . 1 303 39 39 TRP CB C 33.522 0.006 1 304 39 39 TRP CD1 C 126.512 . 1 305 39 39 TRP CE3 C 119.333 . 1 306 39 39 TRP CZ2 C 114.377 . 1 307 39 39 TRP CZ3 C 122.700 . 1 308 39 39 TRP CH2 C 124.765 . 1 309 39 39 TRP N N 121.730 0.051 1 310 39 39 TRP NE1 N 128.860 . 1 311 40 40 LEU H H 9.611 0.005 1 312 40 40 LEU HA H 5.561 0.002 1 313 40 40 LEU HB2 H 2.028 0.003 2 314 40 40 LEU HB3 H 1.780 0.007 2 315 40 40 LEU HG H 1.649 0.004 1 316 40 40 LEU HD1 H 0.921 0.004 2 317 40 40 LEU HD2 H 0.987 0.012 2 318 40 40 LEU CA C 54.304 . 1 319 40 40 LEU CB C 45.644 0.016 1 320 40 40 LEU CG C 27.876 0.006 1 321 40 40 LEU CD1 C 23.276 0.012 2 322 40 40 LEU CD2 C 26.282 . 2 323 40 40 LEU N N 123.014 0.018 1 324 41 41 ASP H H 9.177 0.007 1 325 41 41 ASP HA H 5.411 0.005 1 326 41 41 ASP HB2 H 3.027 0.003 2 327 41 41 ASP HB3 H 2.598 0.002 2 328 41 41 ASP CA C 52.271 . 1 329 41 41 ASP CB C 44.453 . 1 330 41 41 ASP N N 126.788 0.05 1 331 42 42 ARG H H 8.442 0.003 1 332 42 42 ARG HA H 4.947 0.002 1 333 42 42 ARG HB2 H 2.008 0.005 2 334 42 42 ARG HB3 H 1.775 0.004 2 335 42 42 ARG HG3 H 1.675 0.002 1 336 42 42 ARG HD2 H 3.237 0.004 2 337 42 42 ARG HD3 H 3.203 0.001 2 338 42 42 ARG CA C 55.289 . 1 339 42 42 ARG CB C 31.206 . 1 340 42 42 ARG CG C 27.425 . 1 341 42 42 ARG CD C 43.729 0.024 1 342 42 42 ARG N N 123.915 0.038 1 343 43 43 SER H H 8.240 0.007 1 344 43 43 SER HA H 4.441 0.005 1 345 43 43 SER HB2 H 3.886 0.005 2 346 43 43 SER HB3 H 3.845 0.006 2 347 43 43 SER CA C 58.561 . 1 348 43 43 SER CB C 63.635 0.009 1 349 43 43 SER N N 118.998 0.029 1 350 44 44 LEU H H 8.442 0.005 1 351 44 44 LEU HA H 4.654 0.002 1 352 44 44 LEU HB2 H 1.567 0.002 2 353 44 44 LEU HB3 H 1.516 0.002 2 354 44 44 LEU HG H 1.658 0.002 1 355 44 44 LEU HD1 H 0.893 0.005 1 356 44 44 LEU CA C 52.491 . 1 357 44 44 LEU CB C 41.467 . 1 358 44 44 LEU CG C 27.425 . 1 359 44 44 LEU CD1 C 23.645 . 1 360 44 44 LEU N N 125.229 0.064 1 361 45 45 PRO HA H 4.351 0.003 1 362 45 45 PRO HB2 H 2.084 . 2 363 45 45 PRO HB3 H 1.897 . 2 364 45 45 PRO HD2 H 3.806 0.004 2 365 45 45 PRO HD3 H 3.640 0.007 2 366 45 45 PRO CA C 63.421 . 1 367 45 45 PRO CB C 31.261 . 1 368 45 45 PRO CD C 50.177 0.013 1 369 46 46 GLY H H 8.708 0.004 1 370 46 46 GLY HA2 H 3.997 0.004 2 371 46 46 GLY HA3 H 3.819 0.001 2 372 46 46 GLY CA C 44.962 0.022 1 373 46 46 GLY N N 111.472 0.054 1 374 47 47 ALA H H 7.746 0.005 1 375 47 47 ALA HA H 4.383 0.004 1 376 47 47 ALA HB H 1.507 0.002 1 377 47 47 ALA CA C 52.620 . 1 378 47 47 ALA CB C 19.864 . 1 379 47 47 ALA N N 123.370 0.043 1 380 48 48 THR H H 8.406 0.007 1 381 48 48 THR HA H 4.414 0.002 1 382 48 48 THR HB H 4.566 0.002 1 383 48 48 THR HG2 H 1.319 0.002 1 384 48 48 THR CA C 60.753 . 1 385 48 48 THR CB C 70.855 . 1 386 48 48 THR CG2 C 21.459 0.006 1 387 48 48 THR N N 112.231 0.063 1 388 49 49 ALA H H 8.822 0.006 1 389 49 49 ALA HA H 4.073 0.002 1 390 49 49 ALA HB H 1.361 0.004 1 391 49 49 ALA CA C 54.739 0.01 1 392 49 49 ALA CB C 17.901 0.006 1 393 49 49 ALA N N 124.737 0.042 1 394 50 50 ALA H H 8.320 0.005 1 395 50 50 ALA HA H 4.130 0.004 1 396 50 50 ALA HB H 1.381 0.002 1 397 50 50 ALA CA C 53.986 . 1 398 50 50 ALA CB C 18.108 0.022 1 399 50 50 ALA N N 120.340 0.075 1 400 51 51 GLU H H 7.800 0.003 1 401 51 51 GLU HA H 4.144 0.001 1 402 51 51 GLU HB2 H 2.202 0.004 2 403 51 51 GLU HB3 H 2.052 0.003 2 404 51 51 GLU HG2 H 2.271 0.003 1 405 51 51 GLU HG3 H 2.271 0.003 1 406 51 51 GLU CA C 57.767 . 1 407 51 51 GLU CB C 29.823 0.047 1 408 51 51 GLU CG C 36.320 . 1 409 51 51 GLU N N 119.158 0.054 1 410 52 52 CYS H H 8.409 0.005 1 411 52 52 CYS HA H 4.324 0.005 1 412 52 52 CYS HB2 H 2.982 0.005 2 413 52 52 CYS HB3 H 2.847 0.006 2 414 52 52 CYS CA C 61.166 . 1 415 52 52 CYS CB C 27.012 . 1 416 52 52 CYS N N 119.247 0.041 1 417 53 53 ALA H H 8.191 0.003 1 418 53 53 ALA HA H 4.147 0.004 1 419 53 53 ALA HB H 1.395 0.006 1 420 53 53 ALA CA C 53.796 . 1 421 53 53 ALA CB C 18.117 . 1 422 53 53 ALA N N 122.766 0.021 1 423 54 54 SER H H 7.957 0.007 1 424 54 54 SER HA H 4.441 0.001 1 425 54 54 SER HB2 H 3.934 0.004 2 426 54 54 SER HB3 H 3.906 0.003 2 427 54 54 SER CA C 59.863 . 1 428 54 54 SER CB C 63.263 . 1 429 54 54 SER N N 113.059 0.057 1 430 55 55 ASN H H 8.079 0.003 1 431 55 55 ASN HA H 4.873 0.002 1 432 55 55 ASN HB2 H 2.958 0.005 2 433 55 55 ASN HB3 H 2.804 0.002 2 434 55 55 ASN HD21 H 7.009 0.002 1 435 55 55 ASN HD22 H 7.662 0.003 1 436 55 55 ASN CA C 53.446 . 1 437 55 55 ASN CB C 39.815 0.032 1 438 55 55 ASN N N 119.767 0.027 1 439 55 55 ASN ND2 N 113.373 0.02 1 440 56 56 LEU H H 7.569 0.004 1 441 56 56 LEU HA H 5.026 0.004 1 442 56 56 LEU HB2 H 1.793 0.003 2 443 56 56 LEU HB3 H 1.750 0.002 2 444 56 56 LEU HG H 1.807 0.004 1 445 56 56 LEU HD1 H 0.604 0.001 2 446 56 56 LEU HD2 H 0.617 . 2 447 56 56 LEU CA C 55.066 . 1 448 56 56 LEU CB C 43.564 . 1 449 56 56 LEU CG C 26.536 . 1 450 56 56 LEU CD1 C 24.058 . 1 451 56 56 LEU N N 122.397 0.082 1 452 57 57 LYS H H 9.360 0.006 1 453 57 57 LYS HA H 4.881 0.006 1 454 57 57 LYS HB2 H 1.954 0.005 2 455 57 57 LYS HB3 H 1.894 0.002 2 456 57 57 LYS HG2 H 1.487 0.004 2 457 57 57 LYS HG3 H 1.386 0.002 2 458 57 57 LYS HD3 H 1.745 0.001 1 459 57 57 LYS HE2 H 3.030 0.002 1 460 57 57 LYS HE3 H 3.030 0.002 1 461 57 57 LYS CA C 54.749 . 1 462 57 57 LYS CB C 35.431 . 1 463 57 57 LYS CG C 24.450 0.013 1 464 57 57 LYS CD C 28.537 . 1 465 57 57 LYS CE C 42.011 0.003 1 466 57 57 LYS N N 125.110 0.034 1 467 58 58 LYS H H 8.980 0.004 1 468 58 58 LYS HA H 3.353 0.006 1 469 58 58 LYS HB2 H 1.354 0.003 2 470 58 58 LYS HB3 H 0.939 0.002 2 471 58 58 LYS HG2 H 0.331 0.002 2 472 58 58 LYS HG3 H -0.045 0.004 2 473 58 58 LYS HD2 H 1.246 0.004 1 474 58 58 LYS HD3 H 1.246 0.004 1 475 58 58 LYS HE2 H 2.603 0.004 2 476 58 58 LYS HE3 H 2.554 0.001 2 477 58 58 LYS CA C 56.973 . 1 478 58 58 LYS CB C 31.809 0.032 1 479 58 58 LYS CG C 24.344 . 1 480 58 58 LYS CD C 29.045 . 1 481 58 58 LYS CE C 41.554 0.014 1 482 58 58 LYS N N 129.317 0.046 1 483 59 59 ILE H H 8.897 0.006 1 484 59 59 ILE HA H 4.066 0.003 1 485 59 59 ILE HB H 1.701 0.006 1 486 59 59 ILE HG12 H 1.703 0.003 2 487 59 59 ILE HG13 H 1.113 0.002 2 488 59 59 ILE HG2 H 0.790 0.003 1 489 59 59 ILE HD1 H 0.953 0.003 1 490 59 59 ILE CA C 62.977 . 1 491 59 59 ILE CB C 37.448 0.016 1 492 59 59 ILE CG1 C 27.406 . 1 493 59 59 ILE CG2 C 16.751 . 1 494 59 59 ILE CD1 C 13.254 . 1 495 59 59 ILE N N 128.019 0.005 1 496 60 60 TYR H H 7.163 0.003 1 497 60 60 TYR HA H 4.242 0.004 1 498 60 60 TYR HB2 H 3.034 0.003 2 499 60 60 TYR HB3 H 2.585 0.003 2 500 60 60 TYR HD1 H 7.075 0.003 3 501 60 60 TYR HD2 H 7.075 0.003 3 502 60 60 TYR HE1 H 6.827 0.002 3 503 60 60 TYR HE2 H 6.827 0.002 3 504 60 60 TYR CA C 59.591 0.012 1 505 60 60 TYR CB C 44.199 . 1 506 60 60 TYR CD1 C 133.628 . 3 507 60 60 TYR CE1 C 117.553 . 3 508 60 60 TYR N N 115.026 0.025 1 509 61 61 THR H H 8.318 0.006 1 510 61 61 THR HA H 5.212 0.003 1 511 61 61 THR HB H 3.607 0.001 1 512 61 61 THR HG2 H 1.061 0.001 1 513 61 61 THR CA C 62.469 . 1 514 61 61 THR CB C 69.363 . 1 515 61 61 THR CG2 C 21.866 . 1 516 61 61 THR N N 124.319 0.026 1 517 62 62 VAL H H 9.990 0.007 1 518 62 62 VAL HA H 4.786 0.004 1 519 62 62 VAL HB H 2.374 0.001 1 520 62 62 VAL HG1 H 1.311 0.001 2 521 62 62 VAL HG2 H 1.336 . 2 522 62 62 VAL CA C 59.524 . 1 523 62 62 VAL CB C 33.815 . 1 524 62 62 VAL CG1 C 23.549 . 1 525 62 62 VAL N N 120.353 0.035 1 526 63 63 GLN H H 8.659 0.007 1 527 63 63 GLN HA H 4.791 0.003 1 528 63 63 GLN HB2 H 2.296 0.001 2 529 63 63 GLN HB3 H 2.101 0.004 2 530 63 63 GLN HG2 H 2.523 0.001 2 531 63 63 GLN HG3 H 2.356 0.002 2 532 63 63 GLN HE21 H 6.840 0.001 1 533 63 63 GLN HE22 H 7.467 0.002 1 534 63 63 GLN CA C 55.939 . 1 535 63 63 GLN CB C 31.186 0.002 1 536 63 63 GLN CG C 34.257 . 1 537 63 63 GLN N N 117.654 0.02 1 538 63 63 GLN NE2 N 110.792 . 1 539 64 64 THR H H 7.488 0.004 1 540 64 64 THR HA H 5.234 0.001 1 541 64 64 THR HB H 4.539 0.003 1 542 64 64 THR HG2 H 1.178 0.004 1 543 64 64 THR CA C 58.783 . 1 544 64 64 THR CB C 72.952 . 1 545 64 64 THR CG2 C 21.357 . 1 546 64 64 THR N N 109.123 0.069 1 547 65 65 VAL H H 9.186 0.004 1 548 65 65 VAL HA H 3.514 0.005 1 549 65 65 VAL HB H 2.137 0.007 1 550 65 65 VAL HG1 H 1.017 0.002 2 551 65 65 VAL HG2 H 1.176 0.004 2 552 65 65 VAL CA C 66.694 . 1 553 65 65 VAL CB C 32.572 . 1 554 65 65 VAL CG1 C 23.359 . 2 555 65 65 VAL CG2 C 21.532 0.016 2 556 65 65 VAL N N 123.108 0.016 1 557 66 66 GLN H H 8.615 0.003 1 558 66 66 GLN HA H 4.309 0.004 1 559 66 66 GLN HB2 H 2.267 0.002 2 560 66 66 GLN HB3 H 2.088 0.003 2 561 66 66 GLN HG2 H 2.674 0.003 2 562 66 66 GLN HG3 H 2.556 0.006 2 563 66 66 GLN HE21 H 6.722 0.004 1 564 66 66 GLN HE22 H 7.757 0.002 1 565 66 66 GLN CA C 60.086 . 1 566 66 66 GLN CB C 27.401 0.047 1 567 66 66 GLN CG C 34.875 0.016 1 568 66 66 GLN N N 117.884 0.01 1 569 66 66 GLN NE2 N 112.519 0.016 1 570 67 67 ILE H H 7.952 0.005 1 571 67 67 ILE HA H 4.036 0.005 1 572 67 67 ILE HB H 2.035 0.004 1 573 67 67 ILE HG12 H 1.689 0.003 2 574 67 67 ILE HG13 H 1.365 0.005 2 575 67 67 ILE HG2 H 1.310 0.002 1 576 67 67 ILE HD1 H 1.021 0.002 1 577 67 67 ILE CA C 63.771 . 1 578 67 67 ILE CB C 36.924 . 1 579 67 67 ILE CG1 C 29.585 . 1 580 67 67 ILE CG2 C 18.276 . 1 581 67 67 ILE CD1 C 12.300 . 1 582 67 67 ILE N N 120.491 0.003 1 583 68 68 PHE H H 8.307 0.002 1 584 68 68 PHE HA H 4.031 0.004 1 585 68 68 PHE HB2 H 3.480 0.001 2 586 68 68 PHE HB3 H 2.843 0.004 2 587 68 68 PHE HD1 H 6.179 0.003 3 588 68 68 PHE HD2 H 6.179 0.003 3 589 68 68 PHE HE1 H 6.874 . 3 590 68 68 PHE HE2 H 6.874 . 3 591 68 68 PHE CA C 62.956 . 1 592 68 68 PHE CB C 37.155 . 1 593 68 68 PHE CD1 C 127.910 . 3 594 68 68 PHE CE1 C 129.371 . 3 595 68 68 PHE N N 121.744 . 1 596 69 69 TRP H H 8.162 0.004 1 597 69 69 TRP HA H 4.241 0.001 1 598 69 69 TRP HB2 H 3.330 0.002 2 599 69 69 TRP HB3 H 3.187 0.002 2 600 69 69 TRP HD1 H 7.844 0.004 1 601 69 69 TRP HE1 H 10.552 0.005 1 602 69 69 TRP HZ2 H 7.164 0.001 1 603 69 69 TRP CA C 60.138 . 1 604 69 69 TRP CB C 28.977 . 1 605 69 69 TRP CD1 C 128.291 . 1 606 69 69 TRP CZ2 C 113.868 . 1 607 69 69 TRP N N 118.535 . 1 608 69 69 TRP NE1 N 128.393 0.01 1 609 70 70 SER H H 8.067 0.001 1 610 70 70 SER HA H 4.197 0.004 1 611 70 70 SER HB2 H 4.037 0.004 2 612 70 70 SER HB3 H 4.025 0.005 2 613 70 70 SER CA C 61.772 . 1 614 70 70 SER CB C 63.191 0.004 1 615 70 70 SER N N 114.846 . 1 616 71 71 VAL H H 8.052 0.005 1 617 71 71 VAL HA H 3.281 0.005 1 618 71 71 VAL HB H 1.707 0.004 1 619 71 71 VAL HG1 H 0.148 0.005 2 620 71 71 VAL HG2 H 0.508 0.002 2 621 71 71 VAL CA C 66.249 . 1 622 71 71 VAL CB C 30.824 . 1 623 71 71 VAL CG1 C 21.167 . 2 624 71 71 VAL CG2 C 23.009 . 2 625 71 71 VAL N N 120.788 0.021 1 626 72 72 TYR H H 8.456 0.004 1 627 72 72 TYR HA H 3.234 0.001 1 628 72 72 TYR HB2 H 2.519 0.004 2 629 72 72 TYR HB3 H 2.028 0.004 2 630 72 72 TYR HD1 H 6.865 0.003 3 631 72 72 TYR HD2 H 6.865 0.003 3 632 72 72 TYR HE1 H 6.806 0.004 3 633 72 72 TYR HE2 H 6.806 0.004 3 634 72 72 TYR CA C 61.882 . 1 635 72 72 TYR CB C 38.407 . 1 636 72 72 TYR CD1 C 132.739 . 3 637 72 72 TYR CE1 C 117.363 . 3 638 72 72 TYR N N 119.345 0.096 1 639 73 73 ASN H H 8.551 0.005 1 640 73 73 ASN HA H 4.456 0.003 1 641 73 73 ASN HB2 H 2.891 0.001 2 642 73 73 ASN HB3 H 2.824 0.003 2 643 73 73 ASN HD21 H 6.880 0.004 1 644 73 73 ASN HD22 H 7.467 0.002 1 645 73 73 ASN CA C 54.765 0.016 1 646 73 73 ASN CB C 38.592 0.016 1 647 73 73 ASN N N 112.214 0.037 1 648 73 73 ASN ND2 N 111.547 . 1 649 74 74 ASN H H 7.624 0.003 1 650 74 74 ASN HA H 4.756 0.001 1 651 74 74 ASN HB2 H 2.635 0.004 2 652 74 74 ASN HB3 H 2.595 0.004 2 653 74 74 ASN HD21 H 6.947 0.002 1 654 74 74 ASN HD22 H 8.204 0.004 1 655 74 74 ASN CA C 53.955 . 1 656 74 74 ASN CB C 40.625 0.016 1 657 74 74 ASN N N 117.587 0.072 1 658 74 74 ASN ND2 N 115.200 . 1 659 75 75 ILE H H 7.200 0.004 1 660 75 75 ILE HA H 4.515 0.005 1 661 75 75 ILE HB H 1.810 0.002 1 662 75 75 ILE HG12 H 1.017 0.005 2 663 75 75 ILE HG13 H 0.950 0.007 2 664 75 75 ILE HG2 H 0.645 0.003 1 665 75 75 ILE HD1 H -0.105 0.002 1 666 75 75 ILE CA C 59.705 . 1 667 75 75 ILE CB C 37.051 . 1 668 75 75 ILE CG1 C 24.344 . 1 669 75 75 ILE CG2 C 16.783 . 1 670 75 75 ILE CD1 C 12.356 . 1 671 75 75 ILE N N 117.330 0.113 1 672 76 76 PRO HD2 H 3.831 . 2 673 76 76 PRO HD3 H 3.722 . 2 674 77 77 PRO HA H 4.643 0.003 1 675 77 77 PRO HB2 H 2.495 0.004 2 676 77 77 PRO HB3 H 2.353 0.002 2 677 77 77 PRO CA C 62.341 . 1 678 77 77 PRO CB C 32.651 0.016 1 679 78 78 VAL H H 9.257 0.004 1 680 78 78 VAL HA H 3.720 0.006 1 681 78 78 VAL HB H 2.061 0.003 1 682 78 78 VAL HG1 H 0.822 0.003 2 683 78 78 VAL HG2 H 0.924 0.004 2 684 78 78 VAL CA C 65.105 . 1 685 78 78 VAL CB C 31.110 . 1 686 78 78 VAL CG1 C 22.151 . 2 687 78 78 VAL CG2 C 21.262 . 2 688 78 78 VAL N N 121.316 0.026 1 689 79 79 THR H H 7.073 0.004 1 690 79 79 THR HA H 4.102 0.004 1 691 79 79 THR HB H 4.465 0.002 1 692 79 79 THR HG2 H 1.395 0.002 1 693 79 79 THR CA C 62.882 . 1 694 79 79 THR CB C 68.219 . 1 695 79 79 THR CG2 C 22.596 . 1 696 79 79 THR N N 106.521 0.046 1 697 80 80 SER H H 8.120 0.004 1 698 80 80 SER HA H 4.613 0.001 1 699 80 80 SER HB2 H 3.962 0.008 2 700 80 80 SER HB3 H 3.873 0.001 2 701 80 80 SER CA C 58.148 . 1 702 80 80 SER CB C 64.930 0.016 1 703 80 80 SER N N 116.699 0.053 1 704 81 81 LEU H H 7.218 0.003 1 705 81 81 LEU HA H 4.323 0.003 1 706 81 81 LEU HB2 H 1.669 0.002 2 707 81 81 LEU HB3 H 1.239 0.007 2 708 81 81 LEU HG H 1.413 0.001 1 709 81 81 LEU HD1 H 0.194 0.003 2 710 81 81 LEU HD2 H 0.327 0.003 2 711 81 81 LEU CA C 52.970 . 1 712 81 81 LEU CB C 41.673 0.016 1 713 81 81 LEU CG C 26.059 . 1 714 81 81 LEU CD1 C 23.804 . 2 715 81 81 LEU CD2 C 22.025 . 2 716 81 81 LEU N N 125.223 0.028 1 717 82 82 PRO HA H 4.383 0.001 1 718 82 82 PRO HB2 H 2.336 0.005 2 719 82 82 PRO HB3 H 1.977 0.005 2 720 82 82 PRO HG2 H 1.970 0.002 1 721 82 82 PRO HG3 H 1.970 0.002 1 722 82 82 PRO HD2 H 3.975 0.002 2 723 82 82 PRO HD3 H 3.502 0.001 2 724 82 82 PRO CA C 61.759 . 1 725 82 82 PRO CB C 31.904 0.001 1 726 82 82 PRO CG C 27.408 . 1 727 82 82 PRO CD C 50.511 0.002 1 728 83 83 LEU H H 7.814 0.003 1 729 83 83 LEU HA H 3.681 0.008 1 730 83 83 LEU HB2 H 1.601 0.004 2 731 83 83 LEU HB3 H 1.438 0.004 2 732 83 83 LEU HG H 1.641 0.003 1 733 83 83 LEU HD1 H 0.840 0.003 2 734 83 83 LEU HD2 H 0.865 . 2 735 83 83 LEU CA C 56.464 . 1 736 83 83 LEU CB C 42.134 . 1 737 83 83 LEU CG C 27.552 . 1 738 83 83 LEU CD1 C 21.548 . 1 739 83 83 LEU N N 117.797 0.008 1 740 84 84 ARG H H 8.559 0.002 1 741 84 84 ARG HA H 3.767 0.001 1 742 84 84 ARG HB2 H 2.307 0.003 2 743 84 84 ARG HB3 H 2.132 0.005 2 744 84 84 ARG HG2 H 1.641 0.004 2 745 84 84 ARG HG3 H 1.544 0.003 2 746 84 84 ARG HD2 H 3.227 0.006 2 747 84 84 ARG HD3 H 3.161 0.002 2 748 84 84 ARG CA C 58.432 . 1 749 84 84 ARG CB C 26.615 0.016 1 750 84 84 ARG CG C 26.433 0.01 1 751 84 84 ARG CD C 42.770 0.001 1 752 84 84 ARG N N 113.688 0.006 1 753 85 85 CYS H H 7.826 0.008 1 754 85 85 CYS HA H 5.015 0.002 1 755 85 85 CYS HB2 H 2.997 . 2 756 85 85 CYS HB3 H 2.717 0.001 2 757 85 85 CYS CA C 59.927 . 1 758 85 85 CYS CB C 29.522 . 1 759 85 85 CYS N N 118.325 0.075 1 760 86 86 SER H H 8.610 0.006 1 761 86 86 SER HA H 5.656 0.003 1 762 86 86 SER HB2 H 3.380 . 2 763 86 86 SER HB3 H 3.366 0.003 2 764 86 86 SER CA C 57.131 . 1 765 86 86 SER CB C 66.725 0.001 1 766 86 86 SER N N 114.203 0.021 1 767 87 87 TYR H H 8.114 0.005 1 768 87 87 TYR HA H 6.013 0.003 1 769 87 87 TYR HB2 H 3.341 0.005 2 770 87 87 TYR HB3 H 2.542 0.006 2 771 87 87 TYR HD1 H 7.089 0.002 3 772 87 87 TYR HD2 H 7.089 0.002 3 773 87 87 TYR HE1 H 6.639 0.002 3 774 87 87 TYR HE2 H 6.639 0.002 3 775 87 87 TYR CA C 54.654 . 1 776 87 87 TYR CB C 43.135 0.016 1 777 87 87 TYR CD1 C 130.801 . 3 778 87 87 TYR CE1 C 117.903 . 3 779 87 87 TYR N N 118.314 0.029 1 780 88 88 HIS H H 9.034 0.007 1 781 88 88 HIS HA H 5.896 0.006 1 782 88 88 HIS HB2 H 3.059 0.006 1 783 88 88 HIS HB3 H 3.059 0.006 1 784 88 88 HIS CA C 54.399 . 1 785 88 88 HIS CB C 35.336 . 1 786 88 88 HIS N N 114.640 0.015 1 787 89 89 LEU H H 10.112 0.007 1 788 89 89 LEU HA H 5.406 0.005 1 789 89 89 LEU HB2 H 0.822 . 2 790 89 89 LEU HB3 H 0.823 0.003 2 791 89 89 LEU HG H 1.291 0.007 1 792 89 89 LEU HD1 H -0.189 0.003 2 793 89 89 LEU HD2 H 0.118 0.002 2 794 89 89 LEU CA C 54.463 . 1 795 89 89 LEU CB C 42.706 . 1 796 89 89 LEU CG C 27.266 . 1 797 89 89 LEU CD1 C 22.438 . 2 798 89 89 LEU CD2 C 25.960 . 2 799 89 89 LEU N N 127.061 0.024 1 800 90 90 MET H H 8.908 0.006 1 801 90 90 MET HA H 5.729 0.003 1 802 90 90 MET HB2 H 1.740 . 1 803 90 90 MET HB3 H 1.740 . 1 804 90 90 MET HE H 0.599 0.003 1 805 90 90 MET CA C 50.870 . 1 806 90 90 MET CE C 14.112 0.001 1 807 90 90 MET N N 121.219 0.058 1 808 91 91 ARG H H 8.571 0.007 1 809 91 91 ARG HA H 2.686 0.005 1 810 91 91 ARG CA C 57.386 . 1 811 91 91 ARG N N 124.353 0.06 1 812 92 92 GLY H H 8.465 0.003 1 813 92 92 GLY HA2 H 3.690 0.003 2 814 92 92 GLY HA3 H 3.190 0.003 2 815 92 92 GLY CA C 46.566 0.016 1 816 92 92 GLY N N 116.946 0.03 1 817 93 93 GLU H H 8.821 0.005 1 818 93 93 GLU HA H 4.470 0.001 1 819 93 93 GLU HB2 H 1.704 0.003 2 820 93 93 GLU HB3 H 1.688 0.003 2 821 93 93 GLU HG2 H 2.074 0.004 1 822 93 93 GLU HG3 H 2.074 0.004 1 823 93 93 GLU CA C 55.030 . 1 824 93 93 GLU CB C 29.465 0.005 1 825 93 93 GLU CG C 36.300 . 1 826 93 93 GLU N N 125.098 0.026 1 827 94 94 ARG H H 7.456 0.004 1 828 94 94 ARG HA H 4.043 0.004 1 829 94 94 ARG HB2 H 1.662 0.002 2 830 94 94 ARG HB3 H 1.621 0.002 2 831 94 94 ARG CA C 56.338 . 1 832 94 94 ARG CB C 30.333 0.02 1 833 94 94 ARG N N 119.934 0.058 1 834 95 95 ARG H H 8.558 0.006 1 835 95 95 ARG HA H 3.660 0.002 1 836 95 95 ARG HB2 H 1.357 0.002 1 837 95 95 ARG HB3 H 1.357 0.002 1 838 95 95 ARG HG2 H 3.136 . 2 839 95 95 ARG HG3 H 0.568 0.001 2 840 95 95 ARG HD2 H 3.138 0.002 2 841 95 95 ARG HD3 H 2.880 0.002 2 842 95 95 ARG CA C 52.716 . 1 843 95 95 ARG CB C 30.598 . 1 844 95 95 ARG CG C 24.877 . 1 845 95 95 ARG CD C 43.416 . 1 846 95 95 ARG N N 119.731 0.055 1 847 96 96 PRO HA H 3.504 0.004 1 848 96 96 PRO CA C 60.944 . 1 849 97 97 LEU H H 7.426 0.004 1 850 97 97 LEU HA H 4.610 0.005 1 851 97 97 LEU HB2 H 1.308 0.001 2 852 97 97 LEU HB3 H 1.077 0.002 2 853 97 97 LEU HD1 H 0.577 0.009 2 854 97 97 LEU HD2 H 0.658 0.002 2 855 97 97 LEU CA C 52.557 . 1 856 97 97 LEU CB C 44.263 0.031 1 857 97 97 LEU CD1 C 25.034 . 2 858 97 97 LEU CD2 C 23.327 . 2 859 97 97 LEU N N 121.788 0.064 1 860 98 98 TRP H H 8.496 0.004 1 861 98 98 TRP HA H 3.779 0.004 1 862 98 98 TRP HB2 H 2.326 0.001 2 863 98 98 TRP HB3 H 2.308 0.008 2 864 98 98 TRP HD1 H 7.108 0.001 1 865 98 98 TRP HE1 H 9.873 0.004 1 866 98 98 TRP HE3 H 7.158 0.003 1 867 98 98 TRP HZ2 H 7.227 0.001 1 868 98 98 TRP HZ3 H 6.980 0.001 1 869 98 98 TRP HH2 H 7.030 0.001 1 870 98 98 TRP CA C 59.609 0.001 1 871 98 98 TRP CB C 26.059 . 1 872 98 98 TRP CD1 C 127.021 . 1 873 98 98 TRP CE3 C 120.476 . 1 874 98 98 TRP CZ2 C 114.218 . 1 875 98 98 TRP CZ3 C 121.652 . 1 876 98 98 TRP CH2 C 124.384 . 1 877 98 98 TRP N N 126.388 0.021 1 878 98 98 TRP NE1 N 129.496 . 1 879 99 99 GLU H H 7.344 0.007 1 880 99 99 GLU HA H 3.397 0.002 1 881 99 99 GLU HB2 H 1.161 0.006 2 882 99 99 GLU HB3 H 1.078 0.004 2 883 99 99 GLU HG2 H 1.438 0.004 2 884 99 99 GLU HG3 H 1.090 0.01 2 885 99 99 GLU CA C 56.909 . 1 886 99 99 GLU CB C 28.791 . 1 887 99 99 GLU CG C 35.637 0.016 1 888 99 99 GLU N N 114.841 0.015 1 889 100 100 GLU H H 6.815 0.003 1 890 100 100 GLU HA H 4.013 0.004 1 891 100 100 GLU HB2 H 2.070 0.004 2 892 100 100 GLU HB3 H 1.777 0.002 2 893 100 100 GLU HG2 H 2.245 0.002 1 894 100 100 GLU HG3 H 2.245 0.002 1 895 100 100 GLU CA C 56.560 . 1 896 100 100 GLU CB C 29.697 0.016 1 897 100 100 GLU CG C 36.860 . 1 898 100 100 GLU N N 120.290 0.043 1 899 101 101 GLU H H 9.020 0.004 1 900 101 101 GLU HA H 3.939 0.003 1 901 101 101 GLU HB2 H 2.096 0.002 2 902 101 101 GLU HB3 H 2.033 0.001 2 903 101 101 GLU HG2 H 2.333 0.005 2 904 101 101 GLU HG3 H 2.269 0.001 2 905 101 101 GLU CA C 59.895 . 1 906 101 101 GLU CB C 28.950 . 1 907 101 101 GLU CG C 35.907 . 1 908 101 101 GLU N N 126.792 0.027 1 909 102 102 SER H H 8.421 0.006 1 910 102 102 SER HA H 4.302 0.004 1 911 102 102 SER HB2 H 3.992 0.003 2 912 102 102 SER HB3 H 3.885 0.006 2 913 102 102 SER CA C 59.959 . 1 914 102 102 SER CB C 62.612 0.065 1 915 102 102 SER N N 110.898 0.056 1 916 103 103 ASN H H 8.069 0.005 1 917 103 103 ASN HA H 5.051 0.002 1 918 103 103 ASN HB2 H 2.972 0.01 2 919 103 103 ASN HB3 H 2.945 0.005 2 920 103 103 ASN HD21 H 6.218 0.001 1 921 103 103 ASN HD22 H 7.323 0.002 1 922 103 103 ASN CA C 53.605 . 1 923 103 103 ASN CB C 38.767 0.001 1 924 103 103 ASN N N 119.891 0.029 1 925 103 103 ASN ND2 N 109.621 0.02 1 926 104 104 ALA H H 7.723 0.004 1 927 104 104 ALA HA H 4.558 0.003 1 928 104 104 ALA HB H 1.558 0.002 1 929 104 104 ALA CA C 56.274 . 1 930 104 104 ALA CB C 19.451 . 1 931 104 104 ALA N N 123.194 0.027 1 932 105 105 LYS H H 8.278 0.003 1 933 105 105 LYS HA H 4.661 0.007 1 934 105 105 LYS HB2 H 2.249 0.001 2 935 105 105 LYS HB3 H 1.992 0.005 2 936 105 105 LYS HG2 H 1.667 0.002 2 937 105 105 LYS HG3 H 1.575 0.003 2 938 105 105 LYS HD2 H 1.777 0.002 2 939 105 105 LYS HD3 H 1.715 0.003 2 940 105 105 LYS HE2 H 3.054 0.002 1 941 105 105 LYS HE3 H 3.054 0.002 1 942 105 105 LYS CA C 55.499 0.013 1 943 105 105 LYS CB C 31.065 . 1 944 105 105 LYS CG C 25.134 0.012 1 945 105 105 LYS CD C 28.498 0.012 1 946 105 105 LYS CE C 41.992 . 1 947 105 105 LYS N N 115.105 0.053 1 948 106 106 GLY H H 8.038 0.004 1 949 106 106 GLY HA2 H 3.985 . 2 950 106 106 GLY HA3 H 3.845 . 2 951 106 106 GLY N N 108.579 0.05 1 952 107 107 GLY H H 7.530 0.002 1 953 107 107 GLY HA2 H 4.157 . 2 954 107 107 GLY HA3 H 3.370 . 2 955 107 107 GLY N N 115.093 0.062 1 956 108 108 VAL H H 6.534 0.005 1 957 108 108 VAL HA H 5.234 0.002 1 958 108 108 VAL HB H 1.240 0.004 1 959 108 108 VAL HG1 H -0.313 0.003 2 960 108 108 VAL HG2 H 0.300 0.002 2 961 108 108 VAL CA C 56.337 . 1 962 108 108 VAL CB C 34.478 . 1 963 108 108 VAL CG1 C 20.754 . 2 964 108 108 VAL CG2 C 17.863 . 2 965 108 108 VAL N N 107.373 0.134 1 966 109 109 TRP H H 9.150 0.005 1 967 109 109 TRP HA H 4.756 . 1 968 109 109 TRP HB2 H 2.964 0.002 2 969 109 109 TRP HB3 H 2.620 0.002 2 970 109 109 TRP HD1 H 6.823 0.002 1 971 109 109 TRP HE1 H 10.362 0.005 1 972 109 109 TRP HZ2 H 6.962 0.002 1 973 109 109 TRP HH2 H 6.767 . 1 974 109 109 TRP CB C 28.953 . 1 975 109 109 TRP CD1 C 125.019 . 1 976 109 109 TRP CZ2 C 113.709 . 1 977 109 109 TRP CH2 C 123.176 . 1 978 109 109 TRP N N 121.556 0.04 1 979 109 109 TRP NE1 N 128.803 0.013 1 980 110 110 LYS H H 8.959 0.004 1 981 110 110 LYS HA H 4.895 0.005 1 982 110 110 LYS HB2 H 1.113 0.001 2 983 110 110 LYS HB3 H 0.909 0.001 2 984 110 110 LYS HG2 H 1.006 0.002 1 985 110 110 LYS HG3 H 1.006 0.002 1 986 110 110 LYS HD2 H 1.391 0.003 1 987 110 110 LYS HD3 H 1.391 0.003 1 988 110 110 LYS HE2 H 2.654 0.001 1 989 110 110 LYS HE3 H 2.654 0.001 1 990 110 110 LYS CA C 54.939 . 1 991 110 110 LYS CB C 34.686 0.013 1 992 110 110 LYS CG C 25.319 . 1 993 110 110 LYS CD C 29.560 . 1 994 110 110 LYS CE C 41.581 . 1 995 110 110 LYS N N 123.084 0.021 1 996 111 111 MET H H 8.780 0.002 1 997 111 111 MET HA H 4.944 0.002 1 998 111 111 MET HB2 H 1.956 0.006 2 999 111 111 MET HB3 H 1.933 0.001 2 1000 111 111 MET HG2 H 2.228 0.006 1 1001 111 111 MET HG3 H 2.228 0.006 1 1002 111 111 MET HE H 1.527 0.004 1 1003 111 111 MET CA C 54.209 . 1 1004 111 111 MET CB C 37.337 0.001 1 1005 111 111 MET CG C 31.187 . 1 1006 111 111 MET CE C 16.994 . 1 1007 111 111 MET N N 117.979 0.047 1 1008 112 112 LYS H H 8.747 0.007 1 1009 112 112 LYS HA H 5.279 0.004 1 1010 112 112 LYS HB2 H 1.641 0.002 2 1011 112 112 LYS HB3 H 1.578 0.001 2 1012 112 112 LYS HG2 H 1.512 0.007 2 1013 112 112 LYS HG3 H 1.462 0.003 2 1014 112 112 LYS HD2 H 1.676 0.003 1 1015 112 112 LYS HD3 H 1.676 0.003 1 1016 112 112 LYS HE2 H 2.944 0.003 1 1017 112 112 LYS HE3 H 2.944 0.003 1 1018 112 112 LYS CA C 55.225 0.001 1 1019 112 112 LYS CB C 33.907 0.004 1 1020 112 112 LYS CG C 24.765 0.013 1 1021 112 112 LYS CD C 28.535 . 1 1022 112 112 LYS CE C 39.807 . 1 1023 112 112 LYS N N 121.660 0.044 1 1024 113 113 VAL H H 9.302 0.003 1 1025 113 113 VAL HA H 4.791 0.002 1 1026 113 113 VAL HB H 1.974 0.001 1 1027 113 113 VAL HG1 H 0.948 0.01 2 1028 113 113 VAL HG2 H 0.949 0.004 2 1029 113 113 VAL CA C 57.903 . 1 1030 113 113 VAL CB C 34.700 . 1 1031 113 113 VAL CG1 C 21.262 . 2 1032 113 113 VAL CG2 C 22.851 . 2 1033 113 113 VAL N N 121.910 0.047 1 1034 114 114 PRO HA H 4.658 0.002 1 1035 114 114 PRO HB2 H 2.447 . 1 1036 114 114 PRO HB3 H 2.447 . 1 1037 114 114 PRO HG2 H 2.139 . 1 1038 114 114 PRO HG3 H 2.139 . 1 1039 114 114 PRO CA C 62.527 . 1 1040 114 114 PRO CB C 32.136 . 1 1041 114 114 PRO CG C 26.841 . 1 1042 115 115 LYS H H 8.613 0.004 1 1043 115 115 LYS HA H 4.182 0.001 1 1044 115 115 LYS HB2 H 1.999 . 2 1045 115 115 LYS HB3 H 1.769 0.003 2 1046 115 115 LYS CA C 58.115 0.001 1 1047 115 115 LYS CB C 31.463 . 1 1048 115 115 LYS N N 121.095 0.038 1 1049 116 116 ASP H H 8.514 0.007 1 1050 116 116 ASP HA H 4.501 0.001 1 1051 116 116 ASP HB2 H 2.810 0.011 2 1052 116 116 ASP HB3 H 2.725 0.005 2 1053 116 116 ASP CA C 55.321 . 1 1054 116 116 ASP CB C 39.831 0.016 1 1055 116 116 ASP N N 114.575 0.048 1 1056 117 117 SER H H 8.510 0.01 1 1057 117 117 SER HA H 4.842 0.006 1 1058 117 117 SER HB2 H 3.878 0.003 2 1059 117 117 SER HB3 H 3.705 0.001 2 1060 117 117 SER CA C 59.426 . 1 1061 117 117 SER CB C 65.013 0.012 1 1062 117 117 SER N N 114.985 0.022 1 1063 118 118 THR H H 7.837 0.003 1 1064 118 118 THR HA H 3.906 0.015 1 1065 118 118 THR HB H 3.414 0.003 1 1066 118 118 THR HG2 H 1.008 0.002 1 1067 118 118 THR CA C 65.049 0.049 1 1068 118 118 THR CB C 68.045 . 1 1069 118 118 THR CG2 C 23.867 . 1 1070 118 118 THR N N 120.314 0.042 1 1071 119 119 SER H H 9.258 0.005 1 1072 119 119 SER HA H 4.225 0.005 1 1073 119 119 SER HB2 H 4.126 0.001 2 1074 119 119 SER HB3 H 4.079 0.005 2 1075 119 119 SER CA C 62.437 . 1 1076 119 119 SER CB C 62.196 0.029 1 1077 119 119 SER N N 114.885 0.03 1 1078 120 120 THR H H 7.972 0.005 1 1079 120 120 THR HA H 4.165 0.002 1 1080 120 120 THR HB H 4.321 0.004 1 1081 120 120 THR HG2 H 1.354 0.002 1 1082 120 120 THR CA C 66.471 . 1 1083 120 120 THR CB C 68.854 . 1 1084 120 120 THR CG2 C 21.230 . 1 1085 120 120 THR N N 119.317 0.009 1 1086 121 121 VAL H H 8.154 0.004 1 1087 121 121 VAL HA H 3.666 0.003 1 1088 121 121 VAL HB H 2.229 0.001 1 1089 121 121 VAL HG1 H 1.121 0.004 2 1090 121 121 VAL HG2 H 1.169 0.009 2 1091 121 121 VAL CA C 66.535 . 1 1092 121 121 VAL CB C 31.364 . 1 1093 121 121 VAL CG1 C 24.089 . 2 1094 121 121 VAL CG2 C 27.769 . 2 1095 121 121 VAL N N 120.884 0.007 1 1096 122 122 TRP H H 9.103 0.004 1 1097 122 122 TRP HA H 4.231 0.001 1 1098 122 122 TRP HB2 H 3.297 0.002 2 1099 122 122 TRP HB3 H 3.274 0.002 2 1100 122 122 TRP HD1 H 7.363 0.001 1 1101 122 122 TRP HE1 H 10.348 0.004 1 1102 122 122 TRP HE3 H 7.571 0.002 1 1103 122 122 TRP HZ2 H 7.464 0.004 1 1104 122 122 TRP HZ3 H 6.675 . 1 1105 122 122 TRP HH2 H 6.955 0.002 1 1106 122 122 TRP CA C 59.843 . 1 1107 122 122 TRP CB C 31.261 . 1 1108 122 122 TRP CD1 C 128.431 . 1 1109 122 122 TRP CE3 C 120.667 . 1 1110 122 122 TRP CZ2 C 115.012 . 1 1111 122 122 TRP CZ3 C 121.366 . 1 1112 122 122 TRP CH2 C 123.272 . 1 1113 122 122 TRP N N 119.092 0.014 1 1114 122 122 TRP NE1 N 127.510 . 1 1115 123 123 LYS H H 7.750 0.003 1 1116 123 123 LYS HA H 3.565 0.003 1 1117 123 123 LYS HB2 H 2.275 0.004 2 1118 123 123 LYS HB3 H 2.005 0.001 2 1119 123 123 LYS HG2 H 1.339 0.005 1 1120 123 123 LYS HG3 H 1.339 0.005 1 1121 123 123 LYS HD2 H 1.943 0.001 2 1122 123 123 LYS HD3 H 1.899 0.001 2 1123 123 123 LYS HE2 H 3.095 0.003 2 1124 123 123 LYS HE3 H 3.079 0.002 2 1125 123 123 LYS CA C 60.721 . 1 1126 123 123 LYS CB C 32.284 0.008 1 1127 123 123 LYS CG C 24.031 . 1 1128 123 123 LYS CD C 29.604 0.013 1 1129 123 123 LYS CE C 42.041 . 1 1130 123 123 LYS N N 116.257 0.025 1 1131 124 124 GLU H H 8.118 0.003 1 1132 124 124 GLU HA H 4.060 0.002 1 1133 124 124 GLU HB2 H 2.123 0.005 2 1134 124 124 GLU HB3 H 2.054 0.002 2 1135 124 124 GLU HG2 H 2.287 . 1 1136 124 124 GLU HG3 H 2.287 . 1 1137 124 124 GLU CA C 58.402 . 1 1138 124 124 GLU CB C 29.363 . 1 1139 124 124 GLU N N 113.906 0.065 1 1140 125 125 LEU H H 8.840 0.003 1 1141 125 125 LEU HA H 4.148 0.005 1 1142 125 125 LEU HB2 H 2.087 0.004 2 1143 125 125 LEU HB3 H 2.076 0.002 2 1144 125 125 LEU HG H 2.082 0.003 1 1145 125 125 LEU HD1 H 0.883 0.004 2 1146 125 125 LEU HD2 H 0.880 0.001 2 1147 125 125 LEU CA C 57.576 0.001 1 1148 125 125 LEU CB C 40.800 . 1 1149 125 125 LEU CG C 26.790 . 1 1150 125 125 LEU CD1 C 23.295 . 2 1151 125 125 LEU CD2 C 25.653 0.025 2 1152 125 125 LEU N N 118.687 0.024 1 1153 126 126 LEU H H 8.567 0.005 1 1154 126 126 LEU HA H 3.346 0.003 1 1155 126 126 LEU HB2 H 1.745 0.003 2 1156 126 126 LEU HB3 H 1.715 0.008 2 1157 126 126 LEU HG H 0.679 0.006 1 1158 126 126 LEU HD1 H -0.014 0.004 2 1159 126 126 LEU HD2 H 0.010 0.004 2 1160 126 126 LEU CA C 58.307 . 1 1161 126 126 LEU CB C 42.118 0.016 1 1162 126 126 LEU CG C 25.424 . 1 1163 126 126 LEU CD1 C 24.248 . 2 1164 126 126 LEU CD2 C 24.693 . 2 1165 126 126 LEU N N 124.052 0.046 1 1166 127 127 LEU H H 7.419 0.003 1 1167 127 127 LEU HA H 3.346 0.004 1 1168 127 127 LEU HB2 H 1.668 0.003 2 1169 127 127 LEU HB3 H 1.286 0.002 2 1170 127 127 LEU HG H 1.555 0.003 1 1171 127 127 LEU HD1 H 0.539 0.002 2 1172 127 127 LEU HD2 H 0.883 0.001 2 1173 127 127 LEU CA C 57.005 0.001 1 1174 127 127 LEU CB C 41.165 0.016 1 1175 127 127 LEU CG C 26.440 . 1 1176 127 127 LEU CD1 C 22.564 . 2 1177 127 127 LEU CD2 C 25.170 . 2 1178 127 127 LEU N N 116.699 0.056 1 1179 128 128 ALA H H 7.854 0.004 1 1180 128 128 ALA HA H 3.717 0.001 1 1181 128 128 ALA HB H 0.925 0.003 1 1182 128 128 ALA CA C 53.986 . 1 1183 128 128 ALA CB C 18.562 . 1 1184 128 128 ALA N N 121.480 0.022 1 1185 129 129 THR H H 7.753 0.003 1 1186 129 129 THR HA H 3.761 0.008 1 1187 129 129 THR HB H 3.594 0.006 1 1188 129 129 THR HG2 H 0.368 0.003 1 1189 129 129 THR CA C 67.170 . 1 1190 129 129 THR CB C 67.138 . 1 1191 129 129 THR CG2 C 21.707 . 1 1192 129 129 THR N N 116.263 0.024 1 1193 130 130 ILE H H 7.641 0.002 1 1194 130 130 ILE HA H 3.541 0.008 1 1195 130 130 ILE HB H 1.444 0.005 1 1196 130 130 ILE HG12 H 0.712 0.007 1 1197 130 130 ILE HG13 H 0.712 0.007 1 1198 130 130 ILE HG2 H -0.541 0.006 1 1199 130 130 ILE HD1 H -0.564 0.004 1 1200 130 130 ILE CA C 63.676 . 1 1201 130 130 ILE CB C 36.352 . 1 1202 130 130 ILE CG1 C 23.613 . 1 1203 130 130 ILE CG2 C 15.595 0.001 1 1204 130 130 ILE CD1 C 11.463 0.018 1 1205 130 130 ILE N N 114.212 0.06 1 1206 131 131 GLY H H 7.298 0.001 1 1207 131 131 GLY HA2 H 4.106 0.003 2 1208 131 131 GLY HA3 H 3.607 0.003 2 1209 131 131 GLY CA C 44.564 0.016 1 1210 131 131 GLY N N 108.622 0.039 1 1211 132 132 GLU H H 7.943 0.003 1 1212 132 132 GLU HA H 4.418 0.002 1 1213 132 132 GLU HB2 H 3.160 0.001 2 1214 132 132 GLU HB3 H 2.997 0.001 2 1215 132 132 GLU HG2 H 3.148 0.003 2 1216 132 132 GLU HG3 H 2.995 0.003 2 1217 132 132 GLU CA C 56.541 . 1 1218 132 132 GLU CB C 22.440 0.013 1 1219 132 132 GLU CG C 31.014 0.002 1 1220 132 132 GLU N N 113.149 0.096 1 1221 133 133 GLN H H 8.480 0.005 1 1222 133 133 GLN HA H 4.016 0.004 1 1223 133 133 GLN HB2 H 1.798 0.004 2 1224 133 133 GLN HB3 H 1.347 0.003 2 1225 133 133 GLN HG2 H 2.216 0.003 2 1226 133 133 GLN HG3 H 2.137 0.001 2 1227 133 133 GLN HE21 H 6.762 0.001 1 1228 133 133 GLN HE22 H 7.246 . 1 1229 133 133 GLN CA C 57.576 . 1 1230 133 133 GLN CB C 27.267 0.031 1 1231 133 133 GLN CG C 34.224 . 1 1232 133 133 GLN N N 115.596 0.055 1 1233 133 133 GLN NE2 N 112.222 . 1 1234 134 134 PHE H H 7.900 0.007 1 1235 134 134 PHE HA H 4.814 0.001 1 1236 134 134 PHE HB2 H 3.186 0.003 2 1237 134 134 PHE HB3 H 2.985 0.004 2 1238 134 134 PHE HD1 H 7.113 0.002 3 1239 134 134 PHE HD2 H 7.113 0.002 3 1240 134 134 PHE HE1 H 7.077 0.004 3 1241 134 134 PHE HE2 H 7.077 0.004 3 1242 134 134 PHE HZ H 6.730 0.003 1 1243 134 134 PHE CA C 58.051 . 1 1244 134 134 PHE CB C 38.418 0.013 1 1245 134 134 PHE CD1 C 130.578 . 3 1246 134 134 PHE CE1 C 130.420 . 3 1247 134 134 PHE CZ C 127.942 . 1 1248 134 134 PHE N N 113.186 0.056 1 1249 135 135 THR H H 7.382 0.001 1 1250 135 135 THR HA H 3.913 0.002 1 1251 135 135 THR HB H 4.316 0.002 1 1252 135 135 THR HG2 H 1.343 0.004 1 1253 135 135 THR CA C 66.440 . 1 1254 135 135 THR CB C 68.663 . 1 1255 135 135 THR CG2 C 21.592 0.012 1 1256 135 135 THR N N 118.726 0.036 1 1257 136 136 ASP H H 8.165 0.005 1 1258 136 136 ASP HA H 4.806 0.002 1 1259 136 136 ASP HB2 H 2.819 0.003 2 1260 136 136 ASP HB3 H 2.692 0.001 2 1261 136 136 ASP CA C 54.687 . 1 1262 136 136 ASP CB C 39.894 0.003 1 1263 136 136 ASP N N 117.989 0.145 1 1264 137 137 CYS H H 7.563 0.003 1 1265 137 137 CYS HA H 4.534 0.002 1 1266 137 137 CYS HB2 H 2.878 0.004 2 1267 137 137 CYS HB3 H 2.865 0.003 2 1268 137 137 CYS CA C 57.926 . 1 1269 137 137 CYS CB C 28.696 . 1 1270 137 137 CYS N N 115.095 0.067 1 1271 138 138 ALA H H 7.222 0.002 1 1272 138 138 ALA HA H 4.708 0.006 1 1273 138 138 ALA HB H 1.378 0.001 1 1274 138 138 ALA CA C 49.981 . 1 1275 138 138 ALA CB C 20.150 . 1 1276 138 138 ALA N N 121.666 0.037 1 1277 139 139 ALA H H 9.502 0.005 1 1278 139 139 ALA HA H 4.227 0.003 1 1279 139 139 ALA HB H 1.538 0.004 1 1280 139 139 ALA CA C 51.985 . 1 1281 139 139 ALA CB C 20.436 . 1 1282 139 139 ALA N N 123.585 0.047 1 1283 140 140 ALA H H 8.723 0.005 1 1284 140 140 ALA HA H 4.143 0.003 1 1285 140 140 ALA HB H 1.442 0.003 1 1286 140 140 ALA CA C 54.971 . 1 1287 140 140 ALA CB C 17.577 . 1 1288 140 140 ALA N N 124.233 0.025 1 1289 141 141 ASP H H 8.095 0.009 1 1290 141 141 ASP HA H 4.748 0.002 1 1291 141 141 ASP HB2 H 2.829 0.001 2 1292 141 141 ASP HB3 H 2.491 0.003 2 1293 141 141 ASP CA C 54.526 . 1 1294 141 141 ASP CB C 39.831 0.016 1 1295 141 141 ASP N N 112.272 0.061 1 1296 142 142 ASP H H 8.018 0.005 1 1297 142 142 ASP HA H 4.991 0.001 1 1298 142 142 ASP HB2 H 2.946 0.007 2 1299 142 142 ASP HB3 H 2.448 0.007 2 1300 142 142 ASP CA C 51.445 . 1 1301 142 142 ASP CB C 44.437 0.016 1 1302 142 142 ASP N N 121.921 0.083 1 1303 143 143 GLU H H 9.268 0.004 1 1304 143 143 GLU HA H 4.363 0.003 1 1305 143 143 GLU HB2 H 1.991 0.004 2 1306 143 143 GLU HB3 H 1.861 0.002 2 1307 143 143 GLU HG2 H 2.214 0.002 2 1308 143 143 GLU HG3 H 2.076 0.003 2 1309 143 143 GLU CA C 56.401 . 1 1310 143 143 GLU CB C 33.382 0.016 1 1311 143 143 GLU CG C 35.779 0.001 1 1312 143 143 GLU N N 119.973 0.085 1 1313 144 144 ILE H H 9.107 0.006 1 1314 144 144 ILE HA H 5.185 0.005 1 1315 144 144 ILE HB H 2.215 0.007 1 1316 144 144 ILE HG12 H 1.607 0.003 2 1317 144 144 ILE HG13 H 1.257 0.003 2 1318 144 144 ILE HG2 H 1.181 0.004 1 1319 144 144 ILE HD1 H 0.805 0.003 1 1320 144 144 ILE CA C 58.529 0.001 1 1321 144 144 ILE CB C 34.923 . 1 1322 144 144 ILE CG1 C 27.651 . 1 1323 144 144 ILE CG2 C 17.958 . 1 1324 144 144 ILE CD1 C 10.299 . 1 1325 144 144 ILE N N 125.413 0.01 1 1326 145 145 ILE H H 8.683 0.008 1 1327 145 145 ILE HA H 4.632 0.006 1 1328 145 145 ILE HB H 2.127 0.01 1 1329 145 145 ILE HG12 H 1.202 0.004 2 1330 145 145 ILE HG13 H 1.166 0.003 2 1331 145 145 ILE HG2 H 0.762 0.006 1 1332 145 145 ILE HD1 H 0.907 0.003 1 1333 145 145 ILE CA C 61.166 . 1 1334 145 145 ILE CB C 39.751 . 1 1335 145 145 ILE CG1 C 24.980 0.005 1 1336 145 145 ILE CG2 C 18.657 . 1 1337 145 145 ILE CD1 C 14.677 . 1 1338 145 145 ILE N N 117.678 0.005 1 1339 146 146 GLY H H 7.615 0.005 1 1340 146 146 GLY HA2 H 5.182 0.006 2 1341 146 146 GLY HA3 H 4.672 0.004 2 1342 146 146 GLY CA C 47.471 . 1 1343 146 146 GLY N N 108.496 0.042 1 1344 147 147 VAL H H 9.178 0.005 1 1345 147 147 VAL HA H 5.979 0.004 1 1346 147 147 VAL HB H 2.394 0.005 1 1347 147 147 VAL HG1 H 1.110 0.001 2 1348 147 147 VAL HG2 H 1.197 0.001 2 1349 147 147 VAL CA C 60.181 . 1 1350 147 147 VAL CB C 36.003 . 1 1351 147 147 VAL CG1 C 21.262 . 2 1352 147 147 VAL CG2 C 22.533 . 2 1353 147 147 VAL N N 117.947 0.09 1 1354 148 148 SER H H 9.595 0.008 1 1355 148 148 SER HA H 6.039 0.003 1 1356 148 148 SER HB2 H 4.225 0.003 2 1357 148 148 SER HB3 H 4.154 0.002 2 1358 148 148 SER CA C 58.116 . 1 1359 148 148 SER CB C 65.438 0.004 1 1360 148 148 SER N N 118.805 0.05 1 1361 149 149 VAL H H 8.656 0.005 1 1362 149 149 VAL HA H 5.158 0.004 1 1363 149 149 VAL HB H 1.549 0.005 1 1364 149 149 VAL HG1 H -0.429 0.004 2 1365 149 149 VAL HG2 H 0.538 0.004 2 1366 149 149 VAL CA C 59.006 . 1 1367 149 149 VAL CB C 33.809 . 1 1368 149 149 VAL CG1 C 17.704 . 2 1369 149 149 VAL CG2 C 21.421 . 2 1370 149 149 VAL N N 120.334 0.054 1 1371 150 150 SER H H 9.021 0.005 1 1372 150 150 SER HA H 5.058 0.003 1 1373 150 150 SER HB2 H 3.575 0.003 2 1374 150 150 SER HB3 H 3.479 0.001 2 1375 150 150 SER CA C 55.924 . 1 1376 150 150 SER CB C 64.915 0.031 1 1377 150 150 SER N N 120.649 0.032 1 1378 151 151 VAL H H 7.781 0.005 1 1379 151 151 VAL HA H 4.561 0.004 1 1380 151 151 VAL HB H 1.982 0.001 1 1381 151 151 VAL HG1 H 0.839 0.002 2 1382 151 151 VAL HG2 H 0.840 0.003 2 1383 151 151 VAL CA C 61.754 0.016 1 1384 151 151 VAL CB C 31.682 . 1 1385 151 151 VAL CG1 C 21.643 . 2 1386 151 151 VAL CG2 C 21.242 . 2 1387 151 151 VAL N N 125.713 0.072 1 1388 152 152 ARG H H 8.527 0.006 1 1389 152 152 ARG HA H 4.896 0.003 1 1390 152 152 ARG HB2 H 2.427 0.004 2 1391 152 152 ARG HB3 H 2.087 0.003 2 1392 152 152 ARG HG2 H 1.655 0.001 2 1393 152 152 ARG HG3 H 1.493 0.003 2 1394 152 152 ARG HD2 H 3.231 0.003 2 1395 152 152 ARG HD3 H 3.143 0.002 2 1396 152 152 ARG CA C 53.192 . 1 1397 152 152 ARG CB C 31.347 0.012 1 1398 152 152 ARG CG C 27.001 0.012 1 1399 152 152 ARG CD C 43.230 0.016 1 1400 152 152 ARG N N 127.220 0.069 1 1401 153 153 ASP H H 8.373 0.003 1 1402 153 153 ASP HA H 4.340 0.001 1 1403 153 153 ASP HB2 H 2.635 . 2 1404 153 153 ASP HB3 H 2.631 0.003 2 1405 153 153 ASP CA C 57.100 . 1 1406 153 153 ASP CB C 41.149 . 1 1407 153 153 ASP N N 118.756 0.019 1 1408 154 154 ARG H H 8.718 0.005 1 1409 154 154 ARG HA H 4.188 0.003 1 1410 154 154 ARG HB2 H 1.949 0.001 1 1411 154 154 ARG HB3 H 1.949 0.001 1 1412 154 154 ARG HG2 H 1.621 0.001 2 1413 154 154 ARG HG3 H 1.562 0.004 2 1414 154 154 ARG HD2 H 3.213 0.003 2 1415 154 154 ARG HD3 H 3.197 0.005 2 1416 154 154 ARG CA C 58.021 . 1 1417 154 154 ARG CB C 30.353 . 1 1418 154 154 ARG CG C 27.517 0.009 1 1419 154 154 ARG CD C 42.778 . 1 1420 154 154 ARG N N 116.569 0.026 1 1421 155 155 GLU H H 7.978 0.003 1 1422 155 155 GLU HA H 4.456 0.002 1 1423 155 155 GLU HB2 H 2.055 0.005 2 1424 155 155 GLU HB3 H 1.896 0.002 2 1425 155 155 GLU HG2 H 2.012 . 1 1426 155 155 GLU HG3 H 2.012 . 1 1427 155 155 GLU CA C 55.321 . 1 1428 155 155 GLU CB C 30.983 . 1 1429 155 155 GLU CG C 35.080 . 1 1430 155 155 GLU N N 118.221 0.043 1 1431 156 156 ASP H H 8.246 0.008 1 1432 156 156 ASP HA H 5.197 0.003 1 1433 156 156 ASP HB2 H 2.530 0.002 2 1434 156 156 ASP HB3 H 2.495 0.004 2 1435 156 156 ASP CA C 53.891 . 1 1436 156 156 ASP CB C 41.975 . 1 1437 156 156 ASP N N 119.597 0.027 1 1438 157 157 VAL H H 8.687 0.004 1 1439 157 157 VAL HA H 5.158 0.001 1 1440 157 157 VAL HB H 1.794 0.001 1 1441 157 157 VAL HG1 H 0.828 0.001 2 1442 157 157 VAL HG2 H 0.896 0.003 2 1443 157 157 VAL CA C 60.880 . 1 1444 157 157 VAL CB C 35.209 . 1 1445 157 157 VAL CG1 C 20.913 . 2 1446 157 157 VAL CG2 C 21.262 . 2 1447 157 157 VAL N N 118.382 0.055 1 1448 158 158 VAL H H 9.093 0.004 1 1449 158 158 VAL HA H 5.412 0.002 1 1450 158 158 VAL HB H 1.999 0.006 1 1451 158 158 VAL HG1 H 1.065 0.001 2 1452 158 158 VAL HG2 H 1.181 0.001 2 1453 158 158 VAL CA C 59.514 . 1 1454 158 158 VAL CB C 34.414 . 1 1455 158 158 VAL CG1 C 21.104 . 2 1456 158 158 VAL CG2 C 21.341 0.015 2 1457 158 158 VAL N N 126.989 0.012 1 1458 159 159 GLN H H 9.005 0.003 1 1459 159 159 GLN HA H 6.041 0.006 1 1460 159 159 GLN HB2 H 2.062 0.001 2 1461 159 159 GLN HB3 H 1.965 0.002 2 1462 159 159 GLN HG2 H 1.792 0.006 2 1463 159 159 GLN HG3 H 1.711 0.001 2 1464 159 159 GLN HE21 H 6.482 0.002 1 1465 159 159 GLN HE22 H 7.072 0.003 1 1466 159 159 GLN CA C 53.065 . 1 1467 159 159 GLN CB C 32.766 0.018 1 1468 159 159 GLN CG C 33.152 . 1 1469 159 159 GLN N N 120.621 0.02 1 1470 159 159 GLN NE2 N 107.218 . 1 1471 160 160 VAL H H 8.831 0.007 1 1472 160 160 VAL HA H 5.163 0.005 1 1473 160 160 VAL HB H 2.081 0.002 1 1474 160 160 VAL HG1 H 0.837 0.006 2 1475 160 160 VAL HG2 H 0.951 0.003 2 1476 160 160 VAL CA C 61.674 . 1 1477 160 160 VAL CB C 34.668 . 1 1478 160 160 VAL CG1 C 20.658 . 2 1479 160 160 VAL CG2 C 21.199 . 2 1480 160 160 VAL N N 121.635 0.052 1 1481 161 161 TRP H H 9.480 0.005 1 1482 161 161 TRP HA H 5.531 0.002 1 1483 161 161 TRP HB2 H 3.293 0.002 2 1484 161 161 TRP HB3 H 3.223 0.002 2 1485 161 161 TRP HD1 H 7.072 0.001 1 1486 161 161 TRP HE1 H 11.626 0.012 1 1487 161 161 TRP HZ2 H 7.042 0.002 1 1488 161 161 TRP CA C 56.401 . 1 1489 161 161 TRP CB C 30.967 0.016 1 1490 161 161 TRP CD1 C 131.055 . 1 1491 161 161 TRP CZ2 C 113.328 . 1 1492 161 161 TRP N N 127.994 0.024 1 1493 161 161 TRP NE1 N 132.699 . 1 1494 162 162 ASN H H 9.304 0.004 1 1495 162 162 ASN HA H 6.333 0.005 1 1496 162 162 ASN HB2 H 2.953 0.005 1 1497 162 162 ASN HB3 H 2.953 0.005 1 1498 162 162 ASN HD21 H 7.075 . 1 1499 162 162 ASN HD22 H 6.481 . 1 1500 162 162 ASN CA C 50.902 . 1 1501 162 162 ASN CB C 39.925 . 1 1502 162 162 ASN N N 123.468 0.014 1 1503 162 162 ASN ND2 N 107.218 . 1 1504 163 163 VAL H H 8.065 0.001 1 1505 163 163 VAL HA H 4.616 0.001 1 1506 163 163 VAL HB H 2.350 0.001 1 1507 163 163 VAL HG1 H 1.232 0.003 2 1508 163 163 VAL HG2 H 1.305 0.001 2 1509 163 163 VAL CA C 62.167 . 1 1510 163 163 VAL CB C 34.811 . 1 1511 163 163 VAL CG1 C 21.548 . 2 1512 163 163 VAL CG2 C 22.835 . 2 1513 163 163 VAL N N 115.078 0.042 1 1514 164 164 ASN H H 8.335 0.006 1 1515 164 164 ASN HA H 4.876 0.008 1 1516 164 164 ASN HB2 H 2.945 0.003 2 1517 164 164 ASN HB3 H 2.452 0.006 2 1518 164 164 ASN HD21 H 7.213 0.002 1 1519 164 164 ASN HD22 H 7.659 0.002 1 1520 164 164 ASN CA C 51.200 . 1 1521 164 164 ASN CB C 38.755 0.007 1 1522 164 164 ASN N N 121.515 0.065 1 1523 164 164 ASN ND2 N 111.864 . 1 1524 165 165 ALA H H 9.565 0.006 1 1525 165 165 ALA HA H 4.276 0.002 1 1526 165 165 ALA HB H 1.497 0.003 1 1527 165 165 ALA CA C 54.415 . 1 1528 165 165 ALA CB C 18.673 . 1 1529 165 165 ALA N N 127.656 0.043 1 1530 166 166 SER H H 8.419 0.004 1 1531 166 166 SER HA H 4.334 0.003 1 1532 166 166 SER HB2 H 4.016 . 2 1533 166 166 SER HB3 H 3.988 0.004 2 1534 166 166 SER CA C 60.610 . 1 1535 166 166 SER CB C 62.620 0.023 1 1536 166 166 SER N N 113.439 0.051 1 1537 167 167 LEU H H 7.210 0.003 1 1538 167 167 LEU HA H 4.717 0.001 1 1539 167 167 LEU HB2 H 1.800 0.004 2 1540 167 167 LEU HB3 H 1.495 0.004 2 1541 167 167 LEU HG H 1.308 0.003 1 1542 167 167 LEU HD1 H 0.785 0.004 2 1543 167 167 LEU HD2 H 0.808 0.001 2 1544 167 167 LEU CA C 53.716 0.001 1 1545 167 167 LEU CB C 41.006 . 1 1546 167 167 LEU CG C 26.028 . 1 1547 167 167 LEU CD1 C 21.739 . 2 1548 167 167 LEU CD2 C 26.980 . 2 1549 167 167 LEU N N 119.557 0.031 1 1550 168 168 VAL H H 7.230 0.004 1 1551 168 168 VAL HA H 3.755 0.003 1 1552 168 168 VAL HB H 1.659 0.004 1 1553 168 168 VAL HG1 H 0.089 0.001 2 1554 168 168 VAL HG2 H 0.402 0.003 2 1555 168 168 VAL CA C 65.074 . 1 1556 168 168 VAL CB C 31.428 . 1 1557 168 168 VAL CG1 C 19.864 . 2 1558 168 168 VAL CG2 C 19.880 . 2 1559 168 168 VAL N N 119.916 0.076 1 1560 169 169 GLY H H 8.897 0.004 1 1561 169 169 GLY HA2 H 3.962 0.006 2 1562 169 169 GLY HA3 H 3.836 0.002 2 1563 169 169 GLY CA C 46.328 0.015 1 1564 169 169 GLY N N 111.091 0.072 1 1565 170 170 GLU H H 7.394 0.003 1 1566 170 170 GLU HA H 4.463 0.005 1 1567 170 170 GLU HB2 H 2.297 0.001 2 1568 170 170 GLU HB3 H 1.923 0.002 2 1569 170 170 GLU HG2 H 2.222 0.002 1 1570 170 170 GLU HG3 H 2.222 0.002 1 1571 170 170 GLU CA C 55.385 . 1 1572 170 170 GLU CB C 30.650 0.016 1 1573 170 170 GLU CG C 36.004 . 1 1574 170 170 GLU N N 116.314 0.046 1 1575 171 171 ALA H H 7.673 0.005 1 1576 171 171 ALA HA H 4.739 0.005 1 1577 171 171 ALA HB H 1.956 0.006 1 1578 171 171 ALA CA C 51.985 . 1 1579 171 171 ALA CB C 20.547 . 1 1580 171 171 ALA N N 122.388 0.015 1 1581 172 172 THR H H 9.130 0.005 1 1582 172 172 THR HA H 4.913 0.002 1 1583 172 172 THR HB H 4.599 0.004 1 1584 172 172 THR HG2 H 1.097 0.007 1 1585 172 172 THR CA C 60.435 . 1 1586 172 172 THR CB C 67.679 . 1 1587 172 172 THR CG2 C 21.786 . 1 1588 172 172 THR N N 112.246 0.08 1 1589 173 173 VAL H H 6.491 0.004 1 1590 173 173 VAL HA H 3.204 0.006 1 1591 173 173 VAL HB H 0.233 0.004 1 1592 173 173 VAL HG1 H -0.356 0.001 2 1593 173 173 VAL HG2 H 0.364 0.004 2 1594 173 173 VAL CA C 66.059 . 1 1595 173 173 VAL CB C 32.794 . 1 1596 173 173 VAL CG1 C 18.848 . 2 1597 173 173 VAL CG2 C 22.310 . 2 1598 173 173 VAL N N 124.286 0.005 1 1599 174 174 LEU H H 8.391 0.005 1 1600 174 174 LEU HA H 3.546 0.003 1 1601 174 174 LEU HB2 H 1.645 0.002 2 1602 174 174 LEU HB3 H 1.260 0.011 2 1603 174 174 LEU HG H 1.310 0.002 1 1604 174 174 LEU HD1 H 0.526 0.002 2 1605 174 174 LEU HD2 H 0.897 0.003 2 1606 174 174 LEU CA C 57.814 . 1 1607 174 174 LEU CB C 39.846 0.048 1 1608 174 174 LEU CG C 26.567 . 1 1609 174 174 LEU CD1 C 22.549 . 2 1610 174 174 LEU CD2 C 25.265 . 2 1611 174 174 LEU N N 118.008 0.018 1 1612 175 175 GLU H H 8.549 0.011 1 1613 175 175 GLU HA H 3.969 0.002 1 1614 175 175 GLU HB2 H 2.119 0.003 2 1615 175 175 GLU HB3 H 1.921 0.003 2 1616 175 175 GLU HG2 H 2.432 0.001 2 1617 175 175 GLU HG3 H 2.248 0.003 2 1618 175 175 GLU CA C 60.086 . 1 1619 175 175 GLU CB C 28.260 0.033 1 1620 175 175 GLU CG C 37.018 0.013 1 1621 175 175 GLU N N 120.711 0.032 1 1622 176 176 LYS H H 7.850 0.005 1 1623 176 176 LYS HA H 4.147 0.005 1 1624 176 176 LYS HB2 H 2.191 0.005 2 1625 176 176 LYS HB3 H 2.066 0.002 2 1626 176 176 LYS HG2 H 1.717 0.001 2 1627 176 176 LYS HG3 H 1.559 0.002 2 1628 176 176 LYS HE2 H 2.746 0.003 2 1629 176 176 LYS HE3 H 2.590 0.003 2 1630 176 176 LYS CA C 57.274 . 1 1631 176 176 LYS CB C 30.475 0.016 1 1632 176 176 LYS CG C 27.037 . 1 1633 176 176 LYS CE C 41.761 0.015 1 1634 176 176 LYS N N 121.775 . 1 1635 177 177 ILE H H 8.410 0.002 1 1636 177 177 ILE HA H 3.447 0.003 1 1637 177 177 ILE HB H 1.736 0.007 1 1638 177 177 ILE HG12 H 1.924 0.002 2 1639 177 177 ILE HG13 H 0.790 0.005 2 1640 177 177 ILE HG2 H 0.619 0.004 1 1641 177 177 ILE HD1 H 0.439 0.003 1 1642 177 177 ILE CA C 66.821 . 1 1643 177 177 ILE CB C 37.337 . 1 1644 177 177 ILE CG1 C 30.105 0.084 1 1645 177 177 ILE CG2 C 17.196 . 1 1646 177 177 ILE CD1 C 13.413 . 1 1647 177 177 ILE N N 120.313 0.03 1 1648 178 178 HIS H H 7.827 0.002 1 1649 178 178 HIS HA H 4.216 0.006 1 1650 178 178 HIS HB2 H 3.251 0.001 2 1651 178 178 HIS HB3 H 3.158 0.002 2 1652 178 178 HIS HD2 H 7.075 0.002 1 1653 178 178 HIS CA C 59.355 . 1 1654 178 178 HIS CB C 28.537 0.016 1 1655 178 178 HIS CD2 C 122.732 . 1 1656 178 178 HIS N N 116.094 0.033 1 1657 179 179 GLN H H 7.782 0.003 1 1658 179 179 GLN HA H 3.937 0.003 1 1659 179 179 GLN HB2 H 2.216 0.005 2 1660 179 179 GLN HB3 H 2.205 0.002 2 1661 179 179 GLN HG2 H 2.570 0.005 2 1662 179 179 GLN HG3 H 2.316 0.006 2 1663 179 179 GLN HE21 H 6.839 . 1 1664 179 179 GLN HE22 H 7.464 0.002 1 1665 179 179 GLN CA C 58.084 . 1 1666 179 179 GLN CB C 28.314 . 1 1667 179 179 GLN CG C 33.594 . 1 1668 179 179 GLN N N 117.530 . 1 1669 179 179 GLN NE2 N 111.527 0.02 1 1670 180 180 LEU H H 8.216 0.001 1 1671 180 180 LEU HA H 4.098 0.001 1 1672 180 180 LEU HB2 H 1.924 0.002 2 1673 180 180 LEU HB3 H 1.439 0.002 2 1674 180 180 LEU HG H 1.797 0.003 1 1675 180 180 LEU HD1 H 0.597 0.003 2 1676 180 180 LEU HD2 H 0.807 0.003 2 1677 180 180 LEU CA C 56.504 . 1 1678 180 180 LEU CB C 43.104 0.007 1 1679 180 180 LEU CG C 26.178 . 1 1680 180 180 LEU CD1 C 25.854 . 2 1681 180 180 LEU CD2 C 22.274 . 2 1682 180 180 LEU N N 118.893 . 1 1683 181 181 LEU H H 7.836 0.001 1 1684 181 181 LEU HA H 4.814 0.002 1 1685 181 181 LEU HB2 H 1.978 0.005 2 1686 181 181 LEU HB3 H 1.946 0.005 2 1687 181 181 LEU HG H 1.167 . 1 1688 181 181 LEU HD1 H 0.951 0.002 2 1689 181 181 LEU HD2 H 1.162 0.001 2 1690 181 181 LEU CA C 52.071 . 1 1691 181 181 LEU CB C 41.998 0.006 1 1692 181 181 LEU CG C 28.056 . 1 1693 181 181 LEU CD1 C 23.873 . 2 1694 181 181 LEU CD2 C 28.081 0.061 2 1695 181 181 LEU N N 118.726 . 1 1696 182 182 PRO HA H 4.464 0.001 1 1697 182 182 PRO HB2 H 2.155 0.002 2 1698 182 182 PRO HB3 H 1.625 0.002 2 1699 182 182 PRO HG2 H 2.129 0.002 2 1700 182 182 PRO HG3 H 1.956 0.001 2 1701 182 182 PRO HD2 H 3.583 . 2 1702 182 182 PRO HD3 H 3.466 0.001 2 1703 182 182 PRO CA C 65.049 . 1 1704 182 182 PRO CB C 31.304 0.006 1 1705 182 182 PRO CG C 27.072 0.002 1 1706 182 182 PRO CD C 49.825 . 1 1707 183 183 HIS H H 8.764 0.004 1 1708 183 183 HIS HA H 4.756 0.004 1 1709 183 183 HIS HB2 H 3.129 0.004 2 1710 183 183 HIS HB3 H 3.104 0.002 2 1711 183 183 HIS HD2 H 6.992 . 1 1712 183 183 HIS CA C 55.131 . 1 1713 183 183 HIS CB C 29.887 . 1 1714 183 183 HIS CD2 C 119.237 . 1 1715 183 183 HIS N N 115.481 0.065 1 1716 184 184 ILE H H 6.846 0.005 1 1717 184 184 ILE HA H 3.913 0.003 1 1718 184 184 ILE HB H 1.536 0.006 1 1719 184 184 ILE HG12 H 0.929 0.002 2 1720 184 184 ILE HG13 H 0.995 0.005 2 1721 184 184 ILE HG2 H -0.118 0.005 1 1722 184 184 ILE HD1 H 0.522 0.005 1 1723 184 184 ILE CA C 57.671 0.001 1 1724 184 184 ILE CB C 35.874 . 1 1725 184 184 ILE CG1 C 27.695 0.016 1 1726 184 184 ILE CG2 C 15.385 . 1 1727 184 184 ILE CD1 C 8.931 . 1 1728 184 184 ILE N N 121.485 0.04 1 1729 185 185 ALA H H 8.527 0.003 1 1730 185 185 ALA HA H 4.570 0.004 1 1731 185 185 ALA HB H 1.255 0.003 1 1732 185 185 ALA CA C 49.855 0.003 1 1733 185 185 ALA CB C 17.055 . 1 1734 185 185 ALA N N 132.710 0.044 1 1735 186 186 PHE H H 7.895 0.002 1 1736 186 186 PHE HA H 4.519 0.002 1 1737 186 186 PHE HB2 H 2.952 0.008 2 1738 186 186 PHE HB3 H 2.852 0.003 2 1739 186 186 PHE HD1 H 7.210 . 3 1740 186 186 PHE HD2 H 7.210 . 3 1741 186 186 PHE HE1 H 7.156 . 3 1742 186 186 PHE HE2 H 7.156 . 3 1743 186 186 PHE HZ H 6.982 0.001 1 1744 186 186 PHE CA C 59.276 . 1 1745 186 186 PHE CB C 39.940 0.014 1 1746 186 186 PHE CD1 C 131.245 . 3 1747 186 186 PHE CE1 C 131.182 . 3 1748 186 186 PHE CZ C 128.831 . 1 1749 186 186 PHE N N 120.794 0.01 1 1750 187 187 LYS H H 8.803 0.002 1 1751 187 187 LYS HA H 4.510 0.002 1 1752 187 187 LYS HB2 H 3.023 0.004 2 1753 187 187 LYS HB3 H 2.927 0.003 2 1754 187 187 LYS HG2 H 1.512 0.003 1 1755 187 187 LYS HG3 H 1.512 0.003 1 1756 187 187 LYS HD2 H 1.682 0.002 1 1757 187 187 LYS HD3 H 1.682 0.002 1 1758 187 187 LYS CA C 55.781 . 1 1759 187 187 LYS CB C 30.268 . 1 1760 187 187 LYS CG C 24.436 . 1 1761 187 187 LYS CD C 28.683 . 1 1762 187 187 LYS N N 121.756 0.061 1 1763 188 188 ALA H H 8.002 0.006 1 1764 188 188 ALA HA H 4.333 0.002 1 1765 188 188 ALA HB H 1.468 0.001 1 1766 188 188 ALA CA C 52.541 . 1 1767 188 188 ALA CB C 19.658 . 1 1768 188 188 ALA N N 120.268 0.01 1 1769 189 189 VAL H H 8.263 0.006 1 1770 189 189 VAL HA H 5.020 0.006 1 1771 189 189 VAL HB H 2.012 0.005 1 1772 189 189 VAL HG1 H 0.816 0.002 2 1773 189 189 VAL HG2 H 0.848 0.003 2 1774 189 189 VAL CA C 61.436 . 1 1775 189 189 VAL CB C 33.461 . 1 1776 189 189 VAL CG1 C 21.405 . 2 1777 189 189 VAL CG2 C 22.009 . 2 1778 189 189 VAL N N 118.814 0.046 1 1779 190 190 PHE H H 8.691 0.005 1 1780 190 190 PHE HA H 4.941 0.003 1 1781 190 190 PHE HB2 H 3.409 0.007 2 1782 190 190 PHE HB3 H 2.964 0.003 2 1783 190 190 PHE HD1 H 6.971 0.001 3 1784 190 190 PHE HD2 H 6.971 0.001 3 1785 190 190 PHE CA C 56.305 . 1 1786 190 190 PHE CB C 40.227 0.063 1 1787 190 190 PHE CD1 C 132.358 . 3 1788 190 190 PHE N N 122.921 0.035 1 1789 191 191 TYR H H 8.801 0.003 1 1790 191 191 TYR HA H 4.801 0.002 1 1791 191 191 TYR HB2 H 2.563 0.001 2 1792 191 191 TYR HB3 H 2.538 0.002 2 1793 191 191 TYR CA C 57.052 . 1 1794 191 191 TYR CB C 39.114 0.017 1 1795 191 191 TYR N N 120.704 0.024 1 1796 192 192 LYS H H 8.286 0.004 1 1797 192 192 LYS HA H 4.622 0.002 1 1798 192 192 LYS HB2 H 1.423 0.005 2 1799 192 192 LYS HB3 H 1.200 0.003 2 1800 192 192 LYS HG2 H 0.998 . 1 1801 192 192 LYS HG3 H 0.998 . 1 1802 192 192 LYS HD2 H 1.473 0.001 2 1803 192 192 LYS HD3 H 1.309 0.003 2 1804 192 192 LYS HE2 H 2.667 0.003 1 1805 192 192 LYS HE3 H 2.667 0.003 1 1806 192 192 LYS CA C 51.335 . 1 1807 192 192 LYS CB C 35.276 . 1 1808 192 192 LYS CG C 25.835 . 1 1809 192 192 LYS CD C 29.077 . 1 1810 192 192 LYS CE C 41.574 . 1 1811 192 192 LYS N N 130.476 0.055 1 1812 193 193 PRO HA H 4.157 0.002 1 1813 193 193 PRO CA C 61.772 . 1 1814 194 194 HIS H H 8.443 0.003 1 1815 194 194 HIS HA H 4.205 0.001 1 1816 194 194 HIS HB2 H 2.917 0.003 2 1817 194 194 HIS HB3 H 2.731 0.007 2 1818 194 194 HIS HD2 H 6.751 0.002 1 1819 194 194 HIS CA C 57.425 . 1 1820 194 194 HIS CB C 30.438 . 1 1821 194 194 HIS CD2 C 119.460 . 1 1822 194 194 HIS N N 122.840 . 1 1823 195 195 GLU H H 8.270 0.004 1 1824 195 195 GLU HA H 4.124 0.004 1 1825 195 195 GLU HB2 H 1.891 0.002 2 1826 195 195 GLU HB3 H 1.884 0.001 2 1827 195 195 GLU HG2 H 2.330 . 2 1828 195 195 GLU HG3 H 2.155 0.003 2 1829 195 195 GLU CA C 56.185 0.012 1 1830 195 195 GLU CB C 30.041 0.005 1 1831 195 195 GLU CG C 36.406 . 1 1832 195 195 GLU N N 117.265 0.019 1 1833 196 196 GLU H H 7.915 0.009 1 1834 196 196 GLU HA H 4.111 0.004 1 1835 196 196 GLU HB2 H 1.906 0.005 2 1836 196 196 GLU HB3 H 1.724 0.002 2 1837 196 196 GLU HG2 H 2.315 0.002 2 1838 196 196 GLU HG3 H 2.130 0.006 2 1839 196 196 GLU CA C 56.407 . 1 1840 196 196 GLU CB C 30.094 0.025 1 1841 196 196 GLU CG C 36.320 0.012 1 1842 196 196 GLU N N 120.826 0.089 1 1843 197 197 HIS H H 8.186 0.006 1 1844 197 197 HIS HA H 4.410 0.002 1 1845 197 197 HIS HB2 H 2.867 0.001 2 1846 197 197 HIS HB3 H 2.799 0.003 2 1847 197 197 HIS HD2 H 6.773 0.001 1 1848 197 197 HIS CA C 56.578 0.012 1 1849 197 197 HIS CB C 30.168 0.013 1 1850 197 197 HIS CD2 C 119.428 . 1 1851 197 197 HIS N N 120.259 0.056 1 1852 199 199 ALA H H 8.242 0.007 1 1853 199 199 ALA HA H 4.239 0.001 1 1854 199 199 ALA HB H 1.333 0.008 1 1855 199 199 ALA CA C 52.542 0.004 1 1856 199 199 ALA CB C 18.547 0.006 1 1857 199 199 ALA N N 125.034 0.024 1 1858 200 200 PHE H H 8.267 0.003 1 1859 200 200 PHE HA H 4.573 0.002 1 1860 200 200 PHE HB2 H 3.096 0.003 2 1861 200 200 PHE HB3 H 3.040 0.004 2 1862 200 200 PHE HD1 H 7.222 0.004 3 1863 200 200 PHE HD2 H 7.222 0.004 3 1864 200 200 PHE HE1 H 7.310 0.004 3 1865 200 200 PHE HE2 H 7.310 0.004 3 1866 200 200 PHE CA C 57.560 . 1 1867 200 200 PHE CB C 39.164 . 1 1868 200 200 PHE CD1 C 131.338 0.182 3 1869 200 200 PHE CE1 C 131.444 0.165 3 1870 200 200 PHE N N 119.544 0.049 1 1871 201 201 GLU H H 8.404 0.007 1 1872 201 201 GLU HA H 4.201 0.002 1 1873 201 201 GLU HB2 H 2.015 0.003 2 1874 201 201 GLU HB3 H 1.889 0.004 2 1875 201 201 GLU HG2 H 2.175 0.003 1 1876 201 201 GLU HG3 H 2.175 0.003 1 1877 201 201 GLU CA C 56.607 . 1 1878 201 201 GLU CB C 29.538 . 1 1879 201 201 GLU CG C 36.037 . 1 1880 201 201 GLU N N 123.180 0.058 1 1881 202 202 GLY H H 8.099 0.004 1 1882 202 202 GLY HA2 H 3.910 0.006 2 1883 202 202 GLY HA3 H 3.901 0.006 2 1884 202 202 GLY CA C 45.438 . 1 1885 202 202 GLY N N 109.590 0.031 1 1886 203 203 GLY H H 8.285 0.005 1 1887 203 203 GLY N N 108.748 0.079 1 1888 204 204 ARG H H 8.222 0.002 1 1889 204 204 ARG N N 120.506 0.034 1 1890 205 205 GLY H H 8.489 0.004 1 1891 205 205 GLY HA2 H 3.893 0.002 1 1892 205 205 GLY HA3 H 3.893 0.002 1 1893 205 205 GLY CA C 45.025 . 1 1894 205 205 GLY N N 109.827 0.115 1 1895 206 206 LYS H H 8.109 0.007 1 1896 206 206 LYS HA H 4.256 0.005 1 1897 206 206 LYS HB2 H 1.749 0.001 2 1898 206 206 LYS HB3 H 1.638 0.001 2 1899 206 206 LYS CA C 56.194 . 1 1900 206 206 LYS CB C 32.853 . 1 1901 206 206 LYS N N 121.224 0.072 1 1902 207 207 HIS H H 8.000 0.003 1 1903 207 207 HIS HA H 4.421 0.003 1 1904 207 207 HIS HB2 H 3.147 0.005 2 1905 207 207 HIS HB3 H 2.990 0.003 2 1906 207 207 HIS HD2 H 7.015 0.001 1 1907 207 207 HIS CA C 57.497 . 1 1908 207 207 HIS CB C 30.316 0.016 1 1909 207 207 HIS CD2 C 120.222 . 1 1910 207 207 HIS N N 125.658 0.07 1 stop_ save_