data_18667 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of eIF4E3 in complex with m7GDP ; _BMRB_accession_number 18667 _BMRB_flat_file_name bmr18667.str _Entry_type original _Submission_date 2012-08-16 _Accession_date 2012-08-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Osborne M J. . 2 Osborne Mike J. . 3 Volpon L . . 4 Kornblatt J . . 5 Culkjovic-kraljcic B . . 6 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" 1077 "13C chemical shifts" 831 "15N chemical shifts" 203 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-07-03 original BMRB . stop_ _Original_release_date 2015-07-03 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 ? 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-kraljcic Biljana . . 5 Baguet Aurelie . . 6 Borden Katherine L. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _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 'outer mongolian' save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution structure of eIF4E3 in complex with m7GDP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE' $EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE $entity_M7G stop_ _System_molecular_weight 23290.24982 _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_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 LEU 4 4 PRO 5 5 PRO 6 6 ALA 7 7 ALA 8 8 ALA 9 9 PRO 10 10 PRO 11 11 GLY 12 12 ALA 13 13 ASN 14 14 GLU 15 15 PRO 16 16 LEU 17 17 ASP 18 18 LYS 19 19 ALA 20 20 LEU 21 21 SER 22 22 ALA 23 23 LEU 24 24 PRO 25 25 PRO 26 26 GLU 27 27 PRO 28 28 GLY 29 29 GLY 30 30 VAL 31 31 PRO 32 32 LEU 33 33 HIS 34 34 SER 35 35 PRO 36 36 TRP 37 37 THR 38 38 PHE 39 39 TRP 40 40 LEU 41 41 ASP 42 42 ARG 43 43 SER 44 44 LEU 45 45 PRO 46 46 GLY 47 47 ALA 48 48 THR 49 49 ALA 50 50 ALA 51 51 GLU 52 52 CYS 53 53 ALA 54 54 SER 55 55 ASN 56 56 LEU 57 57 LYS 58 58 LYS 59 59 ILE 60 60 TYR 61 61 THR 62 62 VAL 63 63 GLN 64 64 THR 65 65 VAL 66 66 GLN 67 67 ILE 68 68 PHE 69 69 TRP 70 70 SER 71 71 VAL 72 72 TYR 73 73 ASN 74 74 ASN 75 75 ILE 76 76 PRO 77 77 PRO 78 78 VAL 79 79 THR 80 80 SER 81 81 LEU 82 82 PRO 83 83 LEU 84 84 ARG 85 85 CYS 86 86 SER 87 87 TYR 88 88 HIS 89 89 LEU 90 90 MET 91 91 ARG 92 92 GLY 93 93 GLU 94 94 ARG 95 95 ARG 96 96 PRO 97 97 LEU 98 98 TRP 99 99 GLU 100 100 GLU 101 101 GLU 102 102 SER 103 103 ASN 104 104 ALA 105 105 LYS 106 106 GLY 107 107 GLY 108 108 VAL 109 109 TRP 110 110 LYS 111 111 MET 112 112 LYS 113 113 VAL 114 114 PRO 115 115 LYS 116 116 ASP 117 117 SER 118 118 THR 119 119 SER 120 120 THR 121 121 VAL 122 122 TRP 123 123 LYS 124 124 GLU 125 125 LEU 126 126 LEU 127 127 LEU 128 128 ALA 129 129 THR 130 130 ILE 131 131 GLY 132 132 GLU 133 133 GLN 134 134 PHE 135 135 THR 136 136 ASP 137 137 CYS 138 138 ALA 139 139 ALA 140 140 ALA 141 141 ASP 142 142 ASP 143 143 GLU 144 144 ILE 145 145 ILE 146 146 GLY 147 147 VAL 148 148 SER 149 149 VAL 150 150 SER 151 151 VAL 152 152 ARG 153 153 ASP 154 154 ARG 155 155 GLU 156 156 ASP 157 157 VAL 158 158 VAL 159 159 GLN 160 160 VAL 161 161 TRP 162 162 ASN 163 163 VAL 164 164 ASN 165 165 ALA 166 166 SER 167 167 LEU 168 168 VAL 169 169 GLY 170 170 GLU 171 171 ALA 172 172 THR 173 173 VAL 174 174 LEU 175 175 GLU 176 176 LYS 177 177 ILE 178 178 HIS 179 179 GLN 180 180 LEU 181 181 LEU 182 182 PRO 183 183 HIS 184 184 ILE 185 185 ALA 186 186 PHE 187 187 LYS 188 188 ALA 189 189 VAL 190 190 PHE 191 191 TYR 192 192 LYS 193 193 PRO 194 194 HIS 195 195 GLU 196 196 GLU 197 197 HIS 198 198 HIS 199 199 ALA 200 200 PHE 201 201 GLU 202 202 GLY 203 203 GLY 204 204 ARG 205 205 GLY 206 206 LYS 207 207 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 18663 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_ ############# # Ligands # ############# save_M7G _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE _BMRB_code M7G _PDB_code M7G _Molecular_mass 459.243 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? CM7 CM7 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOA2 HOA2 H . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? HM71 HM71 H . 0 . ? HM72 HM72 H . 0 . ? HM73 HM73 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O3A PB ? ? SING O5' C5' ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? SING C8 N7 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING N7 CM7 ? ? SING N7 C5 ? ? SING CM7 HM71 ? ? SING CM7 HM72 ? ? SING CM7 HM73 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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 . n/a n/a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 0.25 loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EUKARYOTIC_TRANSLATION_INITIATION_FACTOR_4E_TYPE 0.25 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-13C; U-15N]' 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_xplor-nih _Saveframe_category software _Name 'X-PLOR NIH' _Version any loop_ _Vendor _Address _Electronic_address 'BRUNGER schwieter' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 0 _Details . save_ ############################# # NMR applied experiments # ############################# save_na_1 _Saveframe_category NMR_applied_experiment _Experiment_name na _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [7.2], temp [300.15], pressure [0.0], ionStrength [100.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100.000 . mM pH 7.200 . pH pressure 1 . atm temperature 300.150 . 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 H 1 'methyl protons' ppm 0.0 external direct . . . 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/4b6u/ebi/MIKE_3.csh' loop_ _Experiment_label na 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 HA H 4.410 . 1 2 1 1 MET HB2 H 2.011 . 1 3 1 1 MET HB3 H 2.011 . 1 4 1 1 MET CA C 55.600 . 1 5 1 1 MET CB C 32.800 . 1 6 2 2 ALA H H 8.232 . 1 7 2 2 ALA HA H 4.330 . 1 8 2 2 ALA HB H 1.350 . 1 9 2 2 ALA CA C 52.200 . 1 10 2 2 ALA CB C 19.200 . 1 11 2 2 ALA N N 125.350 . 1 12 3 3 LEU H H 8.156 . 1 13 3 3 LEU HA H 4.600 . 1 14 3 3 LEU HB2 H 1.510 . 1 15 3 3 LEU HB3 H 1.510 . 1 16 3 3 LEU HD1 H 0.917 . 2 17 3 3 LEU HD2 H 0.948 . 2 18 3 3 LEU CA C 53.000 . 1 19 3 3 LEU CB C 41.600 . 1 20 3 3 LEU CD1 C 23.650 . 2 21 3 3 LEU CD2 C 25.450 . 2 22 3 3 LEU N N 122.960 . 1 23 5 5 PRO HA H 4.384 . 1 24 5 5 PRO HB2 H 2.293 . 2 25 5 5 PRO HB3 H 1.915 . 2 26 5 5 PRO CA C 63.010 . 1 27 5 5 PRO CB C 31.970 . 1 28 6 6 ALA H H 8.302 . 1 29 6 6 ALA HB H 1.370 . 1 30 6 6 ALA CA C 52.520 . 1 31 6 6 ALA CB C 18.160 . 1 32 6 6 ALA N N 123.950 . 1 33 7 7 ALA HA H 4.325 . 1 34 7 7 ALA HB H 1.338 . 1 35 7 7 ALA CA C 52.100 . 1 36 7 7 ALA CB C 19.190 . 1 37 8 8 ALA H H 8.185 . 1 38 8 8 ALA HA H 4.580 . 1 39 8 8 ALA HB H 1.307 . 1 40 8 8 ALA CA C 50.200 . 1 41 8 8 ALA CB C 17.940 . 1 42 8 8 ALA N N 124.650 . 1 43 9 9 PRO HD2 H 3.615 . 2 44 9 9 PRO HD3 H 3.816 . 2 45 11 11 GLY H H 8.527 . 1 46 11 11 GLY HA2 H 3.945 . 1 47 11 11 GLY HA3 H 3.945 . 1 48 11 11 GLY C C 174.973 . 1 49 11 11 GLY CA C 45.306 . 1 50 11 11 GLY N N 109.440 . 1 51 12 12 ALA H H 8.126 . 1 52 12 12 ALA HA H 4.305 . 1 53 12 12 ALA HB H 1.395 . 1 54 12 12 ALA C C 178.384 . 1 55 12 12 ALA CA C 52.803 . 1 56 12 12 ALA CB C 19.031 . 1 57 12 12 ALA N N 123.566 . 1 58 13 13 ASN H H 8.491 . 1 59 13 13 ASN HA H 4.715 . 1 60 13 13 ASN HB2 H 2.840 . 2 61 13 13 ASN HB3 H 2.702 . 2 62 13 13 ASN HD21 H 6.900 . 1 63 13 13 ASN HD22 H 7.625 . 1 64 13 13 ASN C C 175.717 . 1 65 13 13 ASN CA C 53.382 . 1 66 13 13 ASN CB C 38.982 . 1 67 13 13 ASN N N 117.472 . 1 68 13 13 ASN ND2 N 112.940 . 1 69 14 14 GLU H H 8.273 . 1 70 14 14 GLU HA H 4.570 . 1 71 14 14 GLU HB2 H 1.940 . 2 72 14 14 GLU HB3 H 2.070 . 2 73 14 14 GLU HG2 H 2.270 . 1 74 14 14 GLU HG3 H 2.270 . 1 75 14 14 GLU C C 175.694 . 1 76 14 14 GLU CA C 55.527 . 1 77 14 14 GLU CB C 29.300 . 1 78 14 14 GLU CG C 36.000 . 1 79 14 14 GLU N N 122.223 . 1 80 15 15 PRO HA H 4.400 . 1 81 15 15 PRO HD2 H 3.792 . 1 82 15 15 PRO HD3 H 3.792 . 1 83 15 15 PRO C C 178.780 . 1 84 15 15 PRO CA C 63.987 . 1 85 15 15 PRO CD C 50.420 . 1 86 16 16 LEU H H 8.335 . 1 87 16 16 LEU HA H 4.192 . 1 88 16 16 LEU HB2 H 1.639 . 1 89 16 16 LEU HB3 H 1.639 . 1 90 16 16 LEU HD1 H 0.876 . 1 91 16 16 LEU HD2 H 0.876 . 1 92 16 16 LEU C C 178.333 . 1 93 16 16 LEU CA C 56.593 . 1 94 16 16 LEU CB C 42.100 . 1 95 16 16 LEU CD1 C 24.500 . 1 96 16 16 LEU CD2 C 24.500 . 1 97 16 16 LEU N N 121.745 . 1 98 17 17 ASP H H 8.225 . 1 99 17 17 ASP HA H 4.425 . 1 100 17 17 ASP HB2 H 2.710 . 1 101 17 17 ASP HB3 H 2.710 . 1 102 17 17 ASP C C 178.672 . 1 103 17 17 ASP CA C 55.816 . 1 104 17 17 ASP CB C 40.741 . 1 105 17 17 ASP N N 118.750 . 1 106 18 18 LYS H H 8.036 . 1 107 18 18 LYS HA H 4.159 . 1 108 18 18 LYS HB2 H 1.875 . 2 109 18 18 LYS HB3 H 1.827 . 2 110 18 18 LYS HG2 H 1.440 . 2 111 18 18 LYS HG3 H 1.495 . 2 112 18 18 LYS C C 178.792 . 1 113 18 18 LYS CA C 57.813 . 1 114 18 18 LYS CB C 32.590 . 1 115 18 18 LYS CG C 24.800 . 1 116 18 18 LYS N N 121.159 . 1 117 19 19 ALA H H 8.148 . 1 118 19 19 ALA HA H 4.180 . 1 119 19 19 ALA HB H 1.400 . 1 120 19 19 ALA C C 180.150 . 1 121 19 19 ALA CA C 53.978 . 1 122 19 19 ALA CB C 18.333 . 1 123 19 19 ALA N N 123.358 . 1 124 20 20 LEU H H 8.085 . 1 125 20 20 LEU HA H 4.188 . 1 126 20 20 LEU HB2 H 1.520 . 2 127 20 20 LEU HB3 H 1.744 . 2 128 20 20 LEU HG H 1.672 . 1 129 20 20 LEU HD1 H 0.758 . 2 130 20 20 LEU HD2 H 0.706 . 2 131 20 20 LEU C C 179.395 . 1 132 20 20 LEU CA C 55.730 . 1 133 20 20 LEU CB C 41.600 . 1 134 20 20 LEU CG C 27.400 . 1 135 20 20 LEU CD1 C 25.670 . 2 136 20 20 LEU CD2 C 23.210 . 2 137 20 20 LEU N N 118.225 . 1 138 21 21 SER H H 7.954 . 1 139 21 21 SER HA H 4.366 . 1 140 21 21 SER HB2 H 3.939 . 1 141 21 21 SER HB3 H 3.939 . 1 142 21 21 SER C C 175.162 . 1 143 21 21 SER CA C 59.380 . 1 144 21 21 SER CB C 63.514 . 1 145 21 21 SER N N 114.956 . 1 146 22 22 ALA H H 7.780 . 1 147 22 22 ALA HA H 4.403 . 1 148 22 22 ALA HB H 1.375 . 1 149 22 22 ALA C C 178.246 . 1 150 22 22 ALA CA C 52.180 . 1 151 22 22 ALA CB C 19.400 . 1 152 22 22 ALA N N 124.050 . 1 153 23 23 LEU H H 7.674 . 1 154 23 23 LEU HA H 4.515 . 1 155 23 23 LEU HB2 H 1.637 . 2 156 23 23 LEU HB3 H 1.488 . 2 157 23 23 LEU HG H 1.730 . 1 158 23 23 LEU HD1 H 0.835 . 2 159 23 23 LEU HD2 H 0.829 . 2 160 23 23 LEU C C 175.789 . 1 161 23 23 LEU CA C 53.030 . 1 162 23 23 LEU CB C 41.400 . 1 163 23 23 LEU CG C 26.750 . 1 164 23 23 LEU CD1 C 23.240 . 1 165 23 23 LEU CD2 C 23.240 . 1 166 23 23 LEU N N 122.134 . 1 167 24 24 PRO HD2 H 3.593 . 2 168 24 24 PRO HD3 H 3.892 . 2 169 24 24 PRO CD C 50.460 . 1 170 25 25 PRO HA H 4.450 . 1 171 25 25 PRO CA C 63.200 . 1 172 25 25 PRO CB C 31.660 . 1 173 26 26 GLU H H 8.350 . 1 174 26 26 GLU HA H 4.625 . 1 175 26 26 GLU HB2 H 1.910 . 2 176 26 26 GLU HB3 H 2.060 . 2 177 26 26 GLU HG2 H 2.270 . 1 178 26 26 GLU HG3 H 2.270 . 1 179 26 26 GLU CA C 54.490 . 1 180 26 26 GLU CB C 29.830 . 1 181 26 26 GLU CG C 36.000 . 1 182 26 26 GLU N N 121.760 . 1 183 27 27 PRO HD2 H 3.750 . 1 184 27 27 PRO HD3 H 3.750 . 1 185 28 28 GLY HA2 H 3.990 . 1 186 28 28 GLY HA3 H 3.990 . 1 187 28 28 GLY CA C 45.580 . 1 188 29 29 GLY H H 8.240 . 1 189 29 29 GLY HA2 H 4.060 . 1 190 29 29 GLY HA3 H 4.060 . 1 191 29 29 GLY CA C 44.880 . 1 192 29 29 GLY N N 108.770 . 1 193 30 30 VAL H H 8.832 . 1 194 30 30 VAL HA H 4.410 . 1 195 30 30 VAL HB H 2.130 . 1 196 30 30 VAL HG1 H 1.140 . 2 197 30 30 VAL HG2 H 1.053 . 2 198 30 30 VAL CA C 60.450 . 1 199 30 30 VAL CB C 32.430 . 1 200 30 30 VAL CG1 C 21.300 . 2 201 30 30 VAL CG2 C 20.880 . 2 202 30 30 VAL N N 123.630 . 1 203 31 31 PRO HA H 4.660 . 1 204 31 31 PRO HB2 H 1.980 . 2 205 31 31 PRO HB3 H 2.410 . 2 206 31 31 PRO HG2 H 2.070 . 2 207 31 31 PRO HG3 H 2.144 . 2 208 31 31 PRO HD2 H 3.812 . 2 209 31 31 PRO HD3 H 4.159 . 2 210 31 31 PRO C C 178.790 . 1 211 31 31 PRO CA C 62.800 . 1 212 31 31 PRO CB C 32.400 . 1 213 31 31 PRO CG C 27.360 . 1 214 31 31 PRO CD C 51.200 . 1 215 32 32 LEU H H 7.751 . 1 216 32 32 LEU HA H 4.585 . 1 217 32 32 LEU HB2 H 1.910 . 2 218 32 32 LEU HB3 H 1.745 . 2 219 32 32 LEU HD1 H 0.748 . 2 220 32 32 LEU HD2 H 0.921 . 2 221 32 32 LEU C C 178.588 . 1 222 32 32 LEU CA C 53.879 . 1 223 32 32 LEU CB C 42.497 . 1 224 32 32 LEU CD1 C 23.680 . 2 225 32 32 LEU CD2 C 26.320 . 2 226 32 32 LEU N N 121.209 . 1 227 33 33 HIS H H 9.167 . 1 228 33 33 HIS HA H 4.232 . 1 229 33 33 HIS HB2 H 3.572 . 2 230 33 33 HIS HB3 H 3.369 . 2 231 33 33 HIS HD2 H 7.197 . 1 232 33 33 HIS C C 176.418 . 1 233 33 33 HIS CA C 60.065 . 1 234 33 33 HIS CB C 29.000 . 1 235 33 33 HIS CD2 C 120.040 . 1 236 33 33 HIS N N 123.110 . 1 237 34 34 SER H H 8.260 . 1 238 34 34 SER HA H 4.810 . 1 239 34 34 SER HB2 H 3.470 . 1 240 34 34 SER HB3 H 3.470 . 1 241 34 34 SER C C 170.526 . 1 242 34 34 SER CA C 54.682 . 1 243 34 34 SER CB C 65.870 . 1 244 34 34 SER N N 112.200 . 1 245 35 35 PRO HA H 5.217 . 1 246 35 35 PRO HB2 H 2.115 . 2 247 35 35 PRO HB3 H 1.507 . 2 248 35 35 PRO C C 178.682 . 1 249 35 35 PRO CA C 62.374 . 1 250 35 35 PRO CB C 32.389 . 1 251 36 36 TRP H H 8.476 . 1 252 36 36 TRP HA H 5.170 . 1 253 36 36 TRP HB2 H 2.525 . 2 254 36 36 TRP HB3 H 2.975 . 2 255 36 36 TRP HD1 H 7.370 . 1 256 36 36 TRP HE1 H 11.198 . 1 257 36 36 TRP HZ2 H 7.430 . 1 258 36 36 TRP HH2 H 6.800 . 1 259 36 36 TRP C C 176.178 . 1 260 36 36 TRP CA C 56.920 . 1 261 36 36 TRP CB C 33.502 . 1 262 36 36 TRP CD1 C 129.000 . 1 263 36 36 TRP CZ2 C 114.500 . 1 264 36 36 TRP CH2 C 123.500 . 1 265 36 36 TRP N N 119.540 . 1 266 36 36 TRP NE1 N 132.800 . 1 267 37 37 THR H H 10.009 . 1 268 37 37 THR HA H 5.320 . 1 269 37 37 THR HB H 3.988 . 1 270 37 37 THR HG2 H 0.301 . 1 271 37 37 THR C C 175.178 . 1 272 37 37 THR CA C 62.300 . 1 273 37 37 THR CB C 71.450 . 1 274 37 37 THR CG2 C 21.250 . 1 275 37 37 THR N N 118.649 . 1 276 38 38 PHE H H 8.880 . 1 277 38 38 PHE HA H 5.885 . 1 278 38 38 PHE HB2 H 3.011 . 1 279 38 38 PHE HB3 H 3.011 . 1 280 38 38 PHE HD1 H 7.200 . 3 281 38 38 PHE HD2 H 7.200 . 3 282 38 38 PHE HE1 H 7.140 . 3 283 38 38 PHE HE2 H 7.140 . 3 284 38 38 PHE HZ H 6.880 . 1 285 38 38 PHE C C 176.643 . 1 286 38 38 PHE CA C 57.740 . 1 287 38 38 PHE CB C 43.403 . 1 288 38 38 PHE CD1 C 132.200 . 3 289 38 38 PHE CD2 C 132.200 . 3 290 38 38 PHE CE1 C 131.500 . 3 291 38 38 PHE CE2 C 131.500 . 3 292 38 38 PHE CZ C 129.820 . 1 293 38 38 PHE N N 125.255 . 1 294 39 39 TRP H H 9.971 . 1 295 39 39 TRP HA H 5.495 . 1 296 39 39 TRP HB2 H 3.010 . 2 297 39 39 TRP HB3 H 3.440 . 2 298 39 39 TRP HD1 H 7.010 . 1 299 39 39 TRP HE1 H 9.580 . 1 300 39 39 TRP HE3 H 7.098 . 1 301 39 39 TRP HZ2 H 7.220 . 1 302 39 39 TRP HZ3 H 7.299 . 1 303 39 39 TRP HH2 H 7.230 . 1 304 39 39 TRP C C 175.326 . 1 305 39 39 TRP CA C 56.230 . 1 306 39 39 TRP CB C 34.406 . 1 307 39 39 TRP CD1 C 127.340 . 1 308 39 39 TRP CE3 C 122.830 . 1 309 39 39 TRP CZ2 C 115.200 . 1 310 39 39 TRP CZ3 C 119.890 . 1 311 39 39 TRP CH2 C 125.450 . 1 312 39 39 TRP N N 121.770 . 1 313 39 39 TRP NE1 N 128.610 . 1 314 40 40 LEU H H 9.538 . 1 315 40 40 LEU HA H 5.925 . 1 316 40 40 LEU HB2 H 1.900 . 2 317 40 40 LEU HB3 H 1.974 . 2 318 40 40 LEU HG H 1.775 . 1 319 40 40 LEU HD1 H 1.004 . 2 320 40 40 LEU HD2 H 1.003 . 2 321 40 40 LEU C C 176.200 . 1 322 40 40 LEU CA C 54.100 . 1 323 40 40 LEU CB C 46.970 . 1 324 40 40 LEU CG C 27.800 . 1 325 40 40 LEU CD1 C 26.680 . 2 326 40 40 LEU CD2 C 24.020 . 2 327 40 40 LEU N N 123.198 . 1 328 41 41 ASP H H 9.191 . 1 329 41 41 ASP HA H 5.080 . 1 330 41 41 ASP HB2 H 2.883 . 2 331 41 41 ASP HB3 H 2.930 . 2 332 41 41 ASP C C 175.740 . 1 333 41 41 ASP CA C 53.190 . 1 334 41 41 ASP CB C 43.612 . 1 335 41 41 ASP N N 125.425 . 1 336 42 42 ARG H H 7.599 . 1 337 42 42 ARG HA H 4.925 . 1 338 42 42 ARG HB2 H 1.750 . 2 339 42 42 ARG HB3 H 1.794 . 2 340 42 42 ARG HG2 H 1.488 . 1 341 42 42 ARG HG3 H 1.488 . 1 342 42 42 ARG HD2 H 3.150 . 2 343 42 42 ARG HD3 H 3.112 . 2 344 42 42 ARG C C 175.617 . 1 345 42 42 ARG CA C 55.690 . 1 346 42 42 ARG CB C 32.300 . 1 347 42 42 ARG CG C 27.400 . 1 348 42 42 ARG CD C 43.670 . 1 349 42 42 ARG N N 117.830 . 1 350 43 43 SER H H 8.534 . 1 351 43 43 SER HA H 4.509 . 1 352 43 43 SER HB2 H 3.840 . 2 353 43 43 SER HB3 H 3.740 . 2 354 43 43 SER C C 174.589 . 1 355 43 43 SER CA C 57.800 . 1 356 43 43 SER CB C 63.184 . 1 357 43 43 SER N N 119.970 . 1 358 44 44 LEU H H 8.645 . 1 359 44 44 LEU HA H 4.730 . 1 360 44 44 LEU HB2 H 1.506 . 1 361 44 44 LEU HB3 H 1.506 . 1 362 44 44 LEU HG H 1.606 . 1 363 44 44 LEU HD1 H 0.880 . 2 364 44 44 LEU HD2 H 0.840 . 2 365 44 44 LEU C C 174.605 . 1 366 44 44 LEU CA C 52.247 . 1 367 44 44 LEU CB C 42.300 . 1 368 44 44 LEU CG C 27.090 . 1 369 44 44 LEU CD1 C 25.200 . 2 370 44 44 LEU CD2 C 23.470 . 2 371 44 44 LEU N N 128.600 . 1 372 45 45 PRO HA H 4.280 . 1 373 45 45 PRO HB2 H 1.850 . 2 374 45 45 PRO HB3 H 2.340 . 2 375 45 45 PRO HG2 H 2.165 . 1 376 45 45 PRO HG3 H 2.165 . 1 377 45 45 PRO C C 179.072 . 1 378 45 45 PRO CA C 63.720 . 1 379 45 45 PRO CB C 31.730 . 1 380 45 45 PRO CG C 27.800 . 1 381 46 46 GLY H H 8.907 . 1 382 46 46 GLY HA2 H 3.848 . 2 383 46 46 GLY HA3 H 4.141 . 2 384 46 46 GLY C C 175.395 . 1 385 46 46 GLY CA C 45.512 . 1 386 46 46 GLY N N 112.950 . 1 387 47 47 ALA H H 7.644 . 1 388 47 47 ALA HA H 4.440 . 1 389 47 47 ALA HB H 1.399 . 1 390 47 47 ALA C C 179.605 . 1 391 47 47 ALA CA C 52.590 . 1 392 47 47 ALA CB C 20.680 . 1 393 47 47 ALA N N 123.676 . 1 394 48 48 THR H H 8.329 . 1 395 48 48 THR HA H 4.640 . 1 396 48 48 THR HB H 4.879 . 1 397 48 48 THR HG2 H 1.350 . 1 398 48 48 THR C C 176.619 . 1 399 48 48 THR CA C 60.000 . 1 400 48 48 THR CB C 71.527 . 1 401 48 48 THR CG2 C 21.880 . 1 402 48 48 THR N N 112.023 . 1 403 49 49 ALA H H 8.898 . 1 404 49 49 ALA HA H 3.316 . 1 405 49 49 ALA HB H 1.270 . 1 406 49 49 ALA C C 181.413 . 1 407 49 49 ALA CA C 56.210 . 1 408 49 49 ALA CB C 17.495 . 1 409 49 49 ALA N N 124.260 . 1 410 50 50 ALA H H 8.731 . 1 411 50 50 ALA HA H 3.945 . 1 412 50 50 ALA HB H 1.342 . 1 413 50 50 ALA C C 182.133 . 1 414 50 50 ALA CA C 54.878 . 1 415 50 50 ALA CB C 18.200 . 1 416 50 50 ALA N N 120.023 . 1 417 51 51 GLU H H 7.532 . 1 418 51 51 GLU HA H 3.880 . 1 419 51 51 GLU HB2 H 2.207 . 2 420 51 51 GLU HB3 H 1.900 . 2 421 51 51 GLU HG2 H 2.220 . 1 422 51 51 GLU HG3 H 2.220 . 1 423 51 51 GLU C C 180.746 . 1 424 51 51 GLU CA C 58.800 . 1 425 51 51 GLU CB C 29.400 . 1 426 51 51 GLU CG C 37.200 . 1 427 51 51 GLU N N 120.067 . 1 428 52 52 CYS H H 8.169 . 1 429 52 52 CYS HA H 3.980 . 1 430 52 52 CYS HB2 H 2.296 . 1 431 52 52 CYS HB3 H 2.296 . 1 432 52 52 CYS C C 178.740 . 1 433 52 52 CYS CA C 63.195 . 1 434 52 52 CYS CB C 25.706 . 1 435 52 52 CYS N N 118.428 . 1 436 53 53 ALA H H 8.006 . 1 437 53 53 ALA HA H 3.803 . 1 438 53 53 ALA HB H 1.325 . 1 439 53 53 ALA C C 180.786 . 1 440 53 53 ALA CA C 55.053 . 1 441 53 53 ALA CB C 17.469 . 1 442 53 53 ALA N N 120.959 . 1 443 54 54 SER H H 7.689 . 1 444 54 54 SER HA H 4.307 . 1 445 54 54 SER HB2 H 3.960 . 1 446 54 54 SER HB3 H 3.960 . 1 447 54 54 SER C C 175.776 . 1 448 54 54 SER CA C 60.951 . 1 449 54 54 SER CB C 63.145 . 1 450 54 54 SER N N 112.655 . 1 451 55 55 ASN H H 7.380 . 1 452 55 55 ASN HA H 4.856 . 1 453 55 55 ASN HB2 H 2.996 . 2 454 55 55 ASN HB3 H 2.835 . 2 455 55 55 ASN HD21 H 6.922 . 1 456 55 55 ASN HD22 H 7.629 . 1 457 55 55 ASN C C 175.161 . 1 458 55 55 ASN CA C 53.210 . 1 459 55 55 ASN CB C 39.997 . 1 460 55 55 ASN N N 118.403 . 1 461 55 55 ASN ND2 N 113.401 . 1 462 56 56 LEU H H 7.010 . 1 463 56 56 LEU HA H 4.660 . 1 464 56 56 LEU HB2 H 1.766 . 1 465 56 56 LEU HB3 H 1.766 . 1 466 56 56 LEU HG H 1.800 . 1 467 56 56 LEU HD1 H 0.498 . 2 468 56 56 LEU HD2 H 0.460 . 2 469 56 56 LEU C C 177.714 . 1 470 56 56 LEU CA C 55.550 . 1 471 56 56 LEU CB C 43.800 . 1 472 56 56 LEU CG C 26.500 . 1 473 56 56 LEU CD1 C 24.970 . 2 474 56 56 LEU CD2 C 24.680 . 2 475 56 56 LEU N N 120.520 . 1 476 57 57 LYS H H 9.390 . 1 477 57 57 LYS HA H 4.880 . 1 478 57 57 LYS HB2 H 1.953 . 1 479 57 57 LYS HB3 H 1.953 . 1 480 57 57 LYS C C 175.833 . 1 481 57 57 LYS CA C 54.900 . 1 482 57 57 LYS CB C 34.616 . 1 483 57 57 LYS CG C 24.400 . 1 484 57 57 LYS CD C 29.000 . 1 485 57 57 LYS CE C 42.230 . 1 486 57 57 LYS N N 125.020 . 1 487 58 58 LYS H H 8.990 . 1 488 58 58 LYS HA H 3.506 . 1 489 58 58 LYS HB2 H 1.482 . 2 490 58 58 LYS HB3 H 1.196 . 2 491 58 58 LYS HG2 H 0.454 . 2 492 58 58 LYS HG3 H -0.134 . 2 493 58 58 LYS HD2 H 1.262 . 1 494 58 58 LYS HD3 H 1.262 . 1 495 58 58 LYS HE2 H 2.578 . 2 496 58 58 LYS HE3 H 2.530 . 2 497 58 58 LYS C C 177.113 . 1 498 58 58 LYS CA C 57.376 . 1 499 58 58 LYS CB C 32.200 . 1 500 58 58 LYS CG C 24.830 . 1 501 58 58 LYS CD C 29.320 . 1 502 58 58 LYS CE C 41.700 . 1 503 58 58 LYS N N 128.850 . 1 504 59 59 ILE H H 8.786 . 1 505 59 59 ILE HA H 4.110 . 1 506 59 59 ILE HB H 1.724 . 1 507 59 59 ILE HG12 H 1.690 . 2 508 59 59 ILE HG13 H 1.120 . 2 509 59 59 ILE HG2 H 0.790 . 1 510 59 59 ILE HD1 H 0.980 . 1 511 59 59 ILE C C 176.583 . 1 512 59 59 ILE CA C 63.000 . 1 513 59 59 ILE CB C 37.800 . 1 514 59 59 ILE CG1 C 27.550 . 1 515 59 59 ILE CG2 C 16.850 . 1 516 59 59 ILE CD1 C 13.610 . 1 517 59 59 ILE N N 128.073 . 1 518 60 60 TYR H H 7.198 . 1 519 60 60 TYR HA H 4.235 . 1 520 60 60 TYR HB2 H 2.576 . 2 521 60 60 TYR HB3 H 3.065 . 2 522 60 60 TYR HD1 H 7.092 . 3 523 60 60 TYR HD2 H 7.092 . 3 524 60 60 TYR HE1 H 6.850 . 3 525 60 60 TYR HE2 H 6.850 . 3 526 60 60 TYR C C 174.969 . 1 527 60 60 TYR CA C 59.960 . 1 528 60 60 TYR CB C 44.300 . 1 529 60 60 TYR CD1 C 134.100 . 3 530 60 60 TYR CD2 C 134.100 . 3 531 60 60 TYR CE1 C 118.230 . 3 532 60 60 TYR CE2 C 118.230 . 3 533 60 60 TYR N N 115.047 . 1 534 61 61 THR H H 8.294 . 1 535 61 61 THR HA H 5.225 . 1 536 61 61 THR HB H 3.610 . 1 537 61 61 THR HG2 H 1.060 . 1 538 61 61 THR C C 174.452 . 1 539 61 61 THR CA C 62.950 . 1 540 61 61 THR CB C 69.540 . 1 541 61 61 THR CG2 C 21.800 . 1 542 61 61 THR N N 124.400 . 1 543 62 62 VAL H H 9.998 . 1 544 62 62 VAL HA H 4.810 . 1 545 62 62 VAL HB H 2.395 . 1 546 62 62 VAL HG1 H 1.380 . 2 547 62 62 VAL HG2 H 1.342 . 2 548 62 62 VAL C C 177.019 . 1 549 62 62 VAL CA C 59.787 . 1 550 62 62 VAL CB C 34.150 . 1 551 62 62 VAL CG1 C 19.380 . 2 552 62 62 VAL CG2 C 23.854 . 2 553 62 62 VAL N N 120.570 . 1 554 63 63 GLN H H 8.638 . 1 555 63 63 GLN HA H 4.785 . 1 556 63 63 GLN HB2 H 2.129 . 2 557 63 63 GLN HB3 H 2.310 . 2 558 63 63 GLN HG2 H 2.374 . 2 559 63 63 GLN HG3 H 2.489 . 2 560 63 63 GLN HE21 H 6.830 . 1 561 63 63 GLN HE22 H 7.492 . 1 562 63 63 GLN C C 177.223 . 1 563 63 63 GLN CA C 56.381 . 1 564 63 63 GLN CB C 31.116 . 1 565 63 63 GLN CG C 34.560 . 1 566 63 63 GLN N N 117.400 . 1 567 63 63 GLN NE2 N 110.840 . 1 568 64 64 THR H H 7.484 . 1 569 64 64 THR HA H 5.264 . 1 570 64 64 THR HB H 4.560 . 1 571 64 64 THR HG2 H 1.185 . 1 572 64 64 THR C C 175.183 . 1 573 64 64 THR CA C 58.800 . 1 574 64 64 THR CB C 73.208 . 1 575 64 64 THR CG2 C 21.700 . 1 576 64 64 THR N N 108.816 . 1 577 65 65 VAL H H 9.181 . 1 578 65 65 VAL HA H 3.540 . 1 579 65 65 VAL HB H 2.140 . 1 580 65 65 VAL HG1 H 1.203 . 2 581 65 65 VAL HG2 H 1.048 . 2 582 65 65 VAL C C 177.969 . 1 583 65 65 VAL CA C 66.850 . 1 584 65 65 VAL CB C 32.900 . 1 585 65 65 VAL CG1 C 21.840 . 2 586 65 65 VAL CG2 C 23.520 . 2 587 65 65 VAL N N 123.010 . 1 588 66 66 GLN H H 8.596 . 1 589 66 66 GLN HA H 4.307 . 1 590 66 66 GLN HB2 H 2.290 . 2 591 66 66 GLN HB3 H 2.111 . 2 592 66 66 GLN HG2 H 2.589 . 2 593 66 66 GLN HG3 H 2.713 . 2 594 66 66 GLN HE21 H 7.757 . 1 595 66 66 GLN HE22 H 6.706 . 1 596 66 66 GLN C C 180.448 . 1 597 66 66 GLN CA C 60.559 . 1 598 66 66 GLN CB C 28.100 . 1 599 66 66 GLN CG C 35.240 . 1 600 66 66 GLN N N 117.847 . 1 601 66 66 GLN NE2 N 112.470 . 1 602 67 67 ILE H H 7.947 . 1 603 67 67 ILE HA H 4.030 . 1 604 67 67 ILE HB H 2.045 . 1 605 67 67 ILE HG12 H 1.388 . 2 606 67 67 ILE HG13 H 1.720 . 2 607 67 67 ILE HG2 H 1.334 . 1 608 67 67 ILE HD1 H 1.040 . 1 609 67 67 ILE C C 178.528 . 1 610 67 67 ILE CA C 63.400 . 1 611 67 67 ILE CB C 37.500 . 1 612 67 67 ILE CG1 C 29.800 . 1 613 67 67 ILE CG2 C 18.600 . 1 614 67 67 ILE CD1 C 12.500 . 1 615 67 67 ILE N N 120.494 . 1 616 68 68 PHE H H 8.303 . 1 617 68 68 PHE HA H 4.055 . 1 618 68 68 PHE HB2 H 2.883 . 2 619 68 68 PHE HB3 H 3.488 . 2 620 68 68 PHE HD1 H 6.240 . 3 621 68 68 PHE HD2 H 6.240 . 3 622 68 68 PHE HE1 H 5.786 . 3 623 68 68 PHE HE2 H 5.786 . 3 624 68 68 PHE HZ H 6.190 . 1 625 68 68 PHE C C 176.960 . 1 626 68 68 PHE CA C 63.120 . 1 627 68 68 PHE CB C 37.400 . 1 628 68 68 PHE CD1 C 131.242 . 3 629 68 68 PHE CD2 C 131.242 . 3 630 68 68 PHE CE1 C 130.800 . 3 631 68 68 PHE CE2 C 130.800 . 3 632 68 68 PHE CZ C 128.510 . 1 633 68 68 PHE N N 121.916 . 1 634 69 69 TRP H H 8.175 . 1 635 69 69 TRP HA H 4.235 . 1 636 69 69 TRP HB2 H 3.238 . 1 637 69 69 TRP HB3 H 3.238 . 1 638 69 69 TRP HD1 H 7.370 . 1 639 69 69 TRP HE1 H 10.320 . 1 640 69 69 TRP HE3 H 7.565 . 1 641 69 69 TRP HZ2 H 7.456 . 1 642 69 69 TRP HZ3 H 6.673 . 1 643 69 69 TRP HH2 H 6.946 . 1 644 69 69 TRP C C 179.210 . 1 645 69 69 TRP CA C 60.338 . 1 646 69 69 TRP CB C 29.381 . 1 647 69 69 TRP CD1 C 129.000 . 1 648 69 69 TRP CE3 C 121.030 . 1 649 69 69 TRP CZ2 C 115.360 . 1 650 69 69 TRP CZ3 C 121.910 . 1 651 69 69 TRP CH2 C 123.770 . 1 652 69 69 TRP N N 118.382 . 1 653 69 69 TRP NE1 N 127.400 . 1 654 70 70 SER H H 8.088 . 1 655 70 70 SER HA H 4.220 . 1 656 70 70 SER HB2 H 3.880 . 2 657 70 70 SER HB3 H 3.990 . 2 658 70 70 SER C C 177.432 . 1 659 70 70 SER CA C 62.261 . 1 660 70 70 SER CB C 62.987 . 1 661 70 70 SER N N 115.057 . 1 662 71 71 VAL H H 8.039 . 1 663 71 71 VAL HA H 3.306 . 1 664 71 71 VAL HB H 1.717 . 1 665 71 71 VAL HG1 H 0.530 . 2 666 71 71 VAL HG2 H 0.150 . 2 667 71 71 VAL C C 178.142 . 1 668 71 71 VAL CA C 66.566 . 1 669 71 71 VAL CB C 31.190 . 1 670 71 71 VAL CG1 C 23.540 . 2 671 71 71 VAL CG2 C 21.373 . 2 672 71 71 VAL N N 120.610 . 1 673 72 72 TYR H H 8.363 . 1 674 72 72 TYR HA H 3.284 . 1 675 72 72 TYR HB2 H 2.550 . 2 676 72 72 TYR HB3 H 2.060 . 2 677 72 72 TYR HD1 H 6.881 . 3 678 72 72 TYR HD2 H 6.881 . 3 679 72 72 TYR HE1 H 6.825 . 3 680 72 72 TYR HE2 H 6.825 . 3 681 72 72 TYR C C 177.963 . 1 682 72 72 TYR CA C 62.010 . 1 683 72 72 TYR CB C 38.870 . 1 684 72 72 TYR CD1 C 133.410 . 3 685 72 72 TYR CD2 C 133.410 . 3 686 72 72 TYR CE1 C 117.750 . 3 687 72 72 TYR CE2 C 117.750 . 3 688 72 72 TYR N N 119.198 . 1 689 73 73 ASN H H 8.564 . 1 690 73 73 ASN HA H 4.460 . 1 691 73 73 ASN HB2 H 2.903 . 2 692 73 73 ASN HB3 H 2.837 . 2 693 73 73 ASN HD21 H 6.920 . 1 694 73 73 ASN HD22 H 7.480 . 1 695 73 73 ASN C C 177.344 . 1 696 73 73 ASN CA C 54.650 . 1 697 73 73 ASN CB C 38.686 . 1 698 73 73 ASN N N 112.084 . 1 699 73 73 ASN ND2 N 111.310 . 1 700 74 74 ASN H H 7.638 . 1 701 74 74 ASN HA H 4.786 . 1 702 74 74 ASN HB2 H 2.660 . 2 703 74 74 ASN HB3 H 2.630 . 2 704 74 74 ASN HD21 H 8.250 . 1 705 74 74 ASN HD22 H 6.940 . 1 706 74 74 ASN C C 175.367 . 1 707 74 74 ASN CA C 54.460 . 1 708 74 74 ASN CB C 41.030 . 1 709 74 74 ASN N N 117.624 . 1 710 74 74 ASN ND2 N 115.000 . 1 711 75 75 ILE H H 7.210 . 1 712 75 75 ILE HA H 4.568 . 1 713 75 75 ILE HB H 1.910 . 1 714 75 75 ILE HG12 H 1.004 . 1 715 75 75 ILE HG13 H 1.004 . 1 716 75 75 ILE HG2 H 0.690 . 1 717 75 75 ILE HD1 H -0.064 . 1 718 75 75 ILE C C 174.695 . 1 719 75 75 ILE CA C 60.030 . 1 720 75 75 ILE CB C 37.120 . 1 721 75 75 ILE CG1 C 24.000 . 1 722 75 75 ILE CG2 C 17.160 . 1 723 75 75 ILE CD1 C 12.420 . 1 724 75 75 ILE N N 116.500 . 1 725 76 76 PRO HD2 H 3.780 . 1 726 76 76 PRO HD3 H 3.780 . 1 727 76 76 PRO CD C 50.050 . 1 728 77 77 PRO HA H 4.700 . 1 729 77 77 PRO C C 180.071 . 1 730 77 77 PRO CA C 62.648 . 1 731 77 77 PRO CB C 32.450 . 1 732 78 78 VAL H H 9.237 . 1 733 78 78 VAL HA H 3.730 . 1 734 78 78 VAL HB H 2.078 . 1 735 78 78 VAL HG1 H 0.950 . 2 736 78 78 VAL HG2 H 0.840 . 2 737 78 78 VAL C C 176.796 . 1 738 78 78 VAL CA C 65.200 . 1 739 78 78 VAL CB C 31.600 . 1 740 78 78 VAL CG1 C 21.300 . 2 741 78 78 VAL CG2 C 21.900 . 2 742 78 78 VAL N N 121.410 . 1 743 79 79 THR H H 7.061 . 1 744 79 79 THR HA H 4.121 . 1 745 79 79 THR HB H 4.495 . 1 746 79 79 THR HG2 H 1.420 . 1 747 79 79 THR C C 176.416 . 1 748 79 79 THR CA C 63.040 . 1 749 79 79 THR CB C 68.500 . 1 750 79 79 THR CG2 C 22.850 . 1 751 79 79 THR N N 105.960 . 1 752 80 80 SER H H 8.134 . 1 753 80 80 SER HA H 4.660 . 1 754 80 80 SER HB2 H 3.943 . 2 755 80 80 SER HB3 H 3.973 . 2 756 80 80 SER C C 175.150 . 1 757 80 80 SER CA C 58.300 . 1 758 80 80 SER CB C 65.041 . 1 759 80 80 SER N N 116.779 . 1 760 81 81 LEU H H 7.192 . 1 761 81 81 LEU HA H 4.360 . 1 762 81 81 LEU HB2 H 1.250 . 2 763 81 81 LEU HB3 H 1.783 . 2 764 81 81 LEU HG H 1.520 . 1 765 81 81 LEU HD1 H 0.460 . 2 766 81 81 LEU HD2 H 0.220 . 2 767 81 81 LEU C C 175.626 . 1 768 81 81 LEU CA C 53.390 . 1 769 81 81 LEU CB C 41.900 . 1 770 81 81 LEU CG C 26.500 . 1 771 81 81 LEU CD1 C 22.050 . 2 772 81 81 LEU CD2 C 24.060 . 2 773 81 81 LEU N N 124.400 . 1 774 82 82 PRO HA H 4.410 . 1 775 82 82 PRO HB2 H 2.372 . 2 776 82 82 PRO HB3 H 1.935 . 2 777 82 82 PRO HD2 H 3.570 . 2 778 82 82 PRO HD3 H 3.920 . 2 779 82 82 PRO C C 175.769 . 1 780 82 82 PRO CA C 61.700 . 1 781 82 82 PRO CB C 32.540 . 1 782 83 83 LEU H H 7.857 . 1 783 83 83 LEU HA H 3.689 . 1 784 83 83 LEU HB2 H 1.490 . 2 785 83 83 LEU HB3 H 1.630 . 2 786 83 83 LEU HG H 1.648 . 1 787 83 83 LEU HD1 H 0.940 . 2 788 83 83 LEU HD2 H 0.867 . 2 789 83 83 LEU C C 178.732 . 1 790 83 83 LEU CA C 56.900 . 1 791 83 83 LEU CB C 42.350 . 1 792 83 83 LEU CG C 27.100 . 1 793 83 83 LEU CD1 C 24.300 . 2 794 83 83 LEU CD2 C 24.500 . 2 795 83 83 LEU N N 118.300 . 1 796 84 84 ARG H H 8.909 . 1 797 84 84 ARG HA H 3.660 . 1 798 84 84 ARG HB2 H 2.355 . 1 799 84 84 ARG HB3 H 2.355 . 1 800 84 84 ARG HG2 H 1.528 . 2 801 84 84 ARG HG3 H 1.830 . 2 802 84 84 ARG HD2 H 3.299 . 1 803 84 84 ARG HD3 H 3.299 . 1 804 84 84 ARG C C 176.896 . 1 805 84 84 ARG CA C 58.600 . 1 806 84 84 ARG CB C 26.700 . 1 807 84 84 ARG CG C 29.040 . 1 808 84 84 ARG CD C 42.800 . 1 809 84 84 ARG N N 114.930 . 1 810 85 85 CYS H H 8.077 . 1 811 85 85 CYS HA H 4.985 . 1 812 85 85 CYS HB2 H 2.805 . 2 813 85 85 CYS HB3 H 2.982 . 2 814 85 85 CYS C C 174.428 . 1 815 85 85 CYS CA C 61.100 . 1 816 85 85 CYS CB C 29.300 . 1 817 85 85 CYS N N 118.807 . 1 818 86 86 SER H H 8.360 . 1 819 86 86 SER HA H 5.580 . 1 820 86 86 SER HB2 H 3.410 . 2 821 86 86 SER HB3 H 3.590 . 2 822 86 86 SER C C 174.548 . 1 823 86 86 SER CA C 56.680 . 1 824 86 86 SER CB C 65.998 . 1 825 86 86 SER N N 114.802 . 1 826 87 87 TYR H H 8.018 . 1 827 87 87 TYR HA H 6.080 . 1 828 87 87 TYR HB2 H 2.500 . 2 829 87 87 TYR HB3 H 3.350 . 2 830 87 87 TYR HD1 H 7.104 . 3 831 87 87 TYR HD2 H 7.104 . 3 832 87 87 TYR HE1 H 6.680 . 3 833 87 87 TYR HE2 H 6.680 . 3 834 87 87 TYR CA C 54.250 . 1 835 87 87 TYR CB C 43.700 . 1 836 87 87 TYR CD1 C 131.850 . 3 837 87 87 TYR CD2 C 131.850 . 3 838 87 87 TYR CE1 C 118.266 . 3 839 87 87 TYR CE2 C 118.266 . 3 840 87 87 TYR N N 118.126 . 1 841 88 88 HIS H H 9.007 . 1 842 88 88 HIS HA H 5.835 . 1 843 88 88 HIS HB2 H 3.091 . 1 844 88 88 HIS HB3 H 3.091 . 1 845 88 88 HIS HD2 H 6.425 . 1 846 88 88 HIS C C 175.766 . 1 847 88 88 HIS CA C 54.607 . 1 848 88 88 HIS CB C 35.712 . 1 849 88 88 HIS CD2 C 117.250 . 1 850 88 88 HIS N N 114.688 . 1 851 89 89 LEU H H 10.019 . 1 852 89 89 LEU HA H 5.320 . 1 853 89 89 LEU HB2 H 1.893 . 2 854 89 89 LEU HB3 H 0.800 . 2 855 89 89 LEU HG H 1.326 . 1 856 89 89 LEU HD1 H 0.113 . 2 857 89 89 LEU HD2 H -0.163 . 2 858 89 89 LEU C C 176.397 . 1 859 89 89 LEU CA C 54.800 . 1 860 89 89 LEU CB C 43.200 . 1 861 89 89 LEU CG C 27.800 . 1 862 89 89 LEU CD1 C 26.226 . 2 863 89 89 LEU CD2 C 22.730 . 2 864 89 89 LEU N N 126.539 . 1 865 90 90 MET H H 8.972 . 1 866 90 90 MET HA H 5.765 . 1 867 90 90 MET HE H 0.678 . 1 868 90 90 MET CA C 51.100 . 1 869 90 90 MET CB C 34.700 . 1 870 90 90 MET CE C 14.623 . 1 871 90 90 MET N N 121.436 . 1 872 91 91 ARG H H 8.750 . 1 873 91 91 ARG HA H 2.647 . 1 874 91 91 ARG HB2 H 0.671 . 1 875 91 91 ARG HB3 H 0.671 . 1 876 91 91 ARG CA C 58.005 . 1 877 91 91 ARG CB C 30.701 . 1 878 91 91 ARG N N 124.592 . 1 879 92 92 GLY H H 8.545 . 1 880 92 92 GLY HA2 H 3.130 . 2 881 92 92 GLY HA3 H 3.740 . 2 882 92 92 GLY C C 174.510 . 1 883 92 92 GLY CA C 46.800 . 1 884 92 92 GLY N N 117.939 . 1 885 93 93 GLU H H 8.769 . 1 886 93 93 GLU HA H 4.510 . 1 887 93 93 GLU HB2 H 1.700 . 2 888 93 93 GLU HB3 H 2.300 . 2 889 93 93 GLU HG2 H 2.090 . 1 890 93 93 GLU HG3 H 2.090 . 1 891 93 93 GLU C C 177.011 . 1 892 93 93 GLU CA C 54.900 . 1 893 93 93 GLU CB C 30.110 . 1 894 93 93 GLU CG C 36.850 . 1 895 93 93 GLU N N 125.215 . 1 896 94 94 ARG H H 7.396 . 1 897 94 94 ARG HA H 4.140 . 1 898 94 94 ARG HB2 H 1.680 . 1 899 94 94 ARG HB3 H 1.680 . 1 900 94 94 ARG HG2 H 1.740 . 1 901 94 94 ARG HG3 H 1.740 . 1 902 94 94 ARG C C 175.598 . 1 903 94 94 ARG CA C 56.481 . 1 904 94 94 ARG CB C 30.720 . 1 905 94 94 ARG CG C 27.380 . 1 906 94 94 ARG N N 119.722 . 1 907 95 95 ARG H H 8.421 . 1 908 95 95 ARG HA H 3.550 . 1 909 95 95 ARG HB2 H 0.580 . 2 910 95 95 ARG HB3 H 1.320 . 2 911 95 95 ARG HG2 H 1.294 . 2 912 95 95 ARG HG3 H 1.650 . 2 913 95 95 ARG HD2 H 2.750 . 2 914 95 95 ARG HD3 H 3.164 . 2 915 95 95 ARG C C 176.811 . 1 916 95 95 ARG CA C 52.800 . 1 917 95 95 ARG CB C 31.100 . 1 918 95 95 ARG CG C 27.010 . 1 919 95 95 ARG CD C 43.600 . 1 920 95 95 ARG N N 118.881 . 1 921 96 96 PRO HA H 3.530 . 1 922 96 96 PRO HB2 H 0.711 . 1 923 96 96 PRO HB3 H 0.711 . 1 924 96 96 PRO HD2 H 2.740 . 1 925 96 96 PRO HD3 H 2.740 . 1 926 96 96 PRO CA C 61.300 . 1 927 96 96 PRO CB C 30.701 . 1 928 97 97 LEU H H 7.360 . 1 929 97 97 LEU HA H 4.878 . 1 930 97 97 LEU HB2 H 1.062 . 2 931 97 97 LEU HB3 H 1.431 . 2 932 97 97 LEU HG H 0.882 . 1 933 97 97 LEU HD1 H 0.544 . 2 934 97 97 LEU HD2 H 0.460 . 2 935 97 97 LEU C C 174.510 . 1 936 97 97 LEU CA C 52.000 . 1 937 97 97 LEU CB C 45.700 . 1 938 97 97 LEU CG C 26.980 . 1 939 97 97 LEU CD1 C 25.120 . 2 940 97 97 LEU CD2 C 22.900 . 2 941 97 97 LEU N N 119.280 . 1 942 98 98 TRP H H 9.232 . 1 943 98 98 TRP HA H 3.890 . 1 944 98 98 TRP HB2 H 2.740 . 1 945 98 98 TRP HB3 H 2.740 . 1 946 98 98 TRP HD1 H 5.940 . 1 947 98 98 TRP HE1 H 10.077 . 1 948 98 98 TRP HE3 H 7.145 . 1 949 98 98 TRP HZ2 H 6.758 . 1 950 98 98 TRP HZ3 H 6.060 . 1 951 98 98 TRP HH2 H 5.360 . 1 952 98 98 TRP C C 177.011 . 1 953 98 98 TRP CA C 57.810 . 1 954 98 98 TRP CB C 29.080 . 1 955 98 98 TRP CD1 C 124.400 . 1 956 98 98 TRP CE3 C 118.500 . 1 957 98 98 TRP CZ2 C 112.530 . 1 958 98 98 TRP CZ3 C 120.710 . 1 959 98 98 TRP CH2 C 121.960 . 1 960 98 98 TRP N N 126.880 . 1 961 98 98 TRP NE1 N 128.800 . 1 962 99 99 GLU H H 8.395 . 1 963 99 99 GLU HA H 3.870 . 1 964 99 99 GLU HB2 H 1.890 . 1 965 99 99 GLU HB3 H 1.890 . 1 966 99 99 GLU HG2 H 1.580 . 2 967 99 99 GLU HG3 H 2.370 . 2 968 99 99 GLU C C 175.598 . 1 969 99 99 GLU CA C 59.500 . 1 970 99 99 GLU CB C 28.200 . 1 971 99 99 GLU CG C 38.600 . 1 972 99 99 GLU N N 109.400 . 1 973 100 100 GLU H H 6.874 . 1 974 100 100 GLU HA H 4.160 . 1 975 100 100 GLU HB2 H 1.850 . 2 976 100 100 GLU HB3 H 2.220 . 2 977 100 100 GLU HG2 H 2.250 . 2 978 100 100 GLU HG3 H 2.390 . 2 979 100 100 GLU C C 176.811 . 1 980 100 100 GLU CA C 56.640 . 1 981 100 100 GLU CB C 30.582 . 1 982 100 100 GLU CG C 36.840 . 1 983 100 100 GLU N N 119.276 . 1 984 101 101 GLU H H 9.191 . 1 985 101 101 GLU HA H 3.990 . 1 986 101 101 GLU HB2 H 2.167 . 2 987 101 101 GLU HB3 H 2.103 . 2 988 101 101 GLU HG2 H 2.368 . 1 989 101 101 GLU HG3 H 2.368 . 1 990 101 101 GLU C C 179.300 . 1 991 101 101 GLU CA C 60.773 . 1 992 101 101 GLU CB C 29.440 . 1 993 101 101 GLU CG C 36.300 . 1 994 101 101 GLU N N 128.088 . 1 995 102 102 SER H H 8.407 . 1 996 102 102 SER HA H 4.340 . 1 997 102 102 SER HB2 H 3.950 . 1 998 102 102 SER HB3 H 3.950 . 1 999 102 102 SER C C 176.777 . 1 1000 102 102 SER CA C 60.279 . 1 1001 102 102 SER CB C 62.998 . 1 1002 102 102 SER N N 109.834 . 1 1003 103 103 ASN H H 8.149 . 1 1004 103 103 ASN HA H 5.109 . 1 1005 103 103 ASN HB2 H 3.217 . 1 1006 103 103 ASN HB3 H 3.217 . 1 1007 103 103 ASN HD21 H 6.105 . 1 1008 103 103 ASN HD22 H 7.754 . 1 1009 103 103 ASN C C 180.454 . 1 1010 103 103 ASN CA C 53.700 . 1 1011 103 103 ASN CB C 39.133 . 1 1012 103 103 ASN N N 119.965 . 1 1013 103 103 ASN ND2 N 109.210 . 1 1014 104 104 ALA H H 7.741 . 1 1015 104 104 ALA HA H 4.895 . 1 1016 104 104 ALA HB H 1.746 . 1 1017 104 104 ALA C C 179.610 . 1 1018 104 104 ALA CA C 56.680 . 1 1019 104 104 ALA CB C 19.990 . 1 1020 104 104 ALA N N 122.832 . 1 1021 105 105 LYS H H 8.428 . 1 1022 105 105 LYS HA H 4.618 . 1 1023 105 105 LYS HB2 H 1.970 . 2 1024 105 105 LYS HB3 H 2.240 . 2 1025 105 105 LYS HG2 H 1.585 . 2 1026 105 105 LYS HG3 H 1.686 . 2 1027 105 105 LYS HD2 H 1.730 . 2 1028 105 105 LYS HD3 H 1.807 . 2 1029 105 105 LYS C C 177.960 . 1 1030 105 105 LYS CA C 55.030 . 1 1031 105 105 LYS CB C 31.400 . 1 1032 105 105 LYS CG C 25.110 . 1 1033 105 105 LYS CD C 28.640 . 1 1034 105 105 LYS N N 116.460 . 1 1035 106 106 GLY H H 8.116 . 1 1036 106 106 GLY HA2 H 3.740 . 2 1037 106 106 GLY HA3 H 3.910 . 2 1038 106 106 GLY C C 172.693 . 1 1039 106 106 GLY CA C 43.900 . 1 1040 106 106 GLY N N 108.740 . 1 1041 107 107 GLY H H 7.342 . 1 1042 107 107 GLY HA2 H 1.980 . 2 1043 107 107 GLY HA3 H 3.130 . 2 1044 107 107 GLY C C 170.562 . 1 1045 107 107 GLY CA C 44.790 . 1 1046 107 107 GLY N N 113.700 . 1 1047 108 108 VAL H H 6.231 . 1 1048 108 108 VAL HA H 5.246 . 1 1049 108 108 VAL HB H 1.290 . 1 1050 108 108 VAL HG1 H 0.345 . 2 1051 108 108 VAL HG2 H -0.318 . 2 1052 108 108 VAL C C 176.726 . 1 1053 108 108 VAL CA C 56.650 . 1 1054 108 108 VAL CB C 34.434 . 1 1055 108 108 VAL CG1 C 18.010 . 2 1056 108 108 VAL CG2 C 20.990 . 2 1057 108 108 VAL N N 107.006 . 1 1058 109 109 TRP H H 9.052 . 1 1059 109 109 TRP HA H 4.869 . 1 1060 109 109 TRP HB2 H 2.670 . 2 1061 109 109 TRP HB3 H 2.993 . 2 1062 109 109 TRP HD1 H 6.880 . 1 1063 109 109 TRP HE1 H 10.260 . 1 1064 109 109 TRP HE3 H 7.698 . 1 1065 109 109 TRP HZ2 H 7.010 . 1 1066 109 109 TRP HH2 H 6.750 . 1 1067 109 109 TRP C C 176.156 . 1 1068 109 109 TRP CA C 60.558 . 1 1069 109 109 TRP CB C 29.502 . 1 1070 109 109 TRP CD1 C 125.800 . 1 1071 109 109 TRP CE3 C 121.770 . 1 1072 109 109 TRP CZ2 C 114.290 . 1 1073 109 109 TRP CH2 C 123.360 . 1 1074 109 109 TRP N N 121.180 . 1 1075 109 109 TRP NE1 N 128.600 . 1 1076 110 110 LYS H H 8.879 . 1 1077 110 110 LYS HA H 5.020 . 1 1078 110 110 LYS HB2 H 1.240 . 2 1079 110 110 LYS HB3 H 0.982 . 2 1080 110 110 LYS HG2 H 1.040 . 1 1081 110 110 LYS HG3 H 1.040 . 1 1082 110 110 LYS HD2 H 1.500 . 1 1083 110 110 LYS HD3 H 1.500 . 1 1084 110 110 LYS HE2 H 2.810 . 1 1085 110 110 LYS HE3 H 2.810 . 1 1086 110 110 LYS C C 175.708 . 1 1087 110 110 LYS CA C 55.020 . 1 1088 110 110 LYS CB C 35.230 . 1 1089 110 110 LYS CG C 25.780 . 1 1090 110 110 LYS CD C 29.900 . 1 1091 110 110 LYS CE C 41.600 . 1 1092 110 110 LYS N N 122.643 . 1 1093 111 111 MET H H 8.810 . 1 1094 111 111 MET HA H 4.950 . 1 1095 111 111 MET HB2 H 1.950 . 1 1096 111 111 MET HB3 H 1.950 . 1 1097 111 111 MET HG2 H 2.120 . 2 1098 111 111 MET HG3 H 2.330 . 2 1099 111 111 MET HE H 1.480 . 1 1100 111 111 MET C C 175.308 . 1 1101 111 111 MET CA C 54.210 . 1 1102 111 111 MET CB C 37.450 . 1 1103 111 111 MET CG C 31.300 . 1 1104 111 111 MET CE C 16.860 . 1 1105 111 111 MET N N 117.845 . 1 1106 112 112 LYS H H 8.807 . 1 1107 112 112 LYS HA H 5.387 . 1 1108 112 112 LYS HB2 H 1.654 . 1 1109 112 112 LYS HB3 H 1.654 . 1 1110 112 112 LYS C C 177.502 . 1 1111 112 112 LYS CA C 55.400 . 1 1112 112 112 LYS CB C 34.610 . 1 1113 112 112 LYS CG C 26.000 . 1 1114 112 112 LYS N N 121.432 . 1 1115 113 113 VAL H H 9.228 . 1 1116 113 113 VAL HA H 4.880 . 1 1117 113 113 VAL HB H 1.970 . 1 1118 113 113 VAL HG1 H 0.949 . 2 1119 113 113 VAL HG2 H 0.930 . 2 1120 113 113 VAL CA C 57.600 . 1 1121 113 113 VAL CB C 35.067 . 1 1122 113 113 VAL CG1 C 22.980 . 2 1123 113 113 VAL CG2 C 21.090 . 2 1124 113 113 VAL N N 120.480 . 1 1125 114 114 PRO HA H 4.675 . 1 1126 114 114 PRO HB2 H 2.105 . 2 1127 114 114 PRO HB3 H 2.486 . 2 1128 114 114 PRO HG2 H 2.040 . 2 1129 114 114 PRO HG3 H 2.210 . 2 1130 114 114 PRO HD2 H 3.920 . 2 1131 114 114 PRO HD3 H 3.420 . 2 1132 114 114 PRO C C 179.454 . 1 1133 114 114 PRO CA C 62.510 . 1 1134 114 114 PRO CB C 32.100 . 1 1135 114 114 PRO CG C 28.400 . 1 1136 114 114 PRO CD C 51.200 . 1 1137 115 115 LYS H H 8.660 . 1 1138 115 115 LYS HA H 4.235 . 1 1139 115 115 LYS HB2 H 1.830 . 1 1140 115 115 LYS HB3 H 1.830 . 1 1141 115 115 LYS HG2 H 1.666 . 1 1142 115 115 LYS HG3 H 1.666 . 1 1143 115 115 LYS HD2 H 1.687 . 2 1144 115 115 LYS HD3 H 1.505 . 2 1145 115 115 LYS HE2 H 2.605 . 1 1146 115 115 LYS HE3 H 2.605 . 1 1147 115 115 LYS C C 179.602 . 1 1148 115 115 LYS CA C 58.210 . 1 1149 115 115 LYS CB C 31.470 . 1 1150 115 115 LYS CG C 28.000 . 1 1151 115 115 LYS CD C 25.350 . 1 1152 115 115 LYS CE C 41.920 . 1 1153 115 115 LYS N N 121.241 . 1 1154 116 116 ASP H H 8.510 . 1 1155 116 116 ASP HA H 4.530 . 1 1156 116 116 ASP HB2 H 2.830 . 2 1157 116 116 ASP HB3 H 2.750 . 2 1158 116 116 ASP C C 178.451 . 1 1159 116 116 ASP CA C 55.310 . 1 1160 116 116 ASP CB C 39.926 . 1 1161 116 116 ASP N N 114.515 . 1 1162 117 117 SER H H 8.509 . 1 1163 117 117 SER HA H 4.854 . 1 1164 117 117 SER HB2 H 3.760 . 2 1165 117 117 SER HB3 H 3.910 . 2 1166 117 117 SER C C 175.264 . 1 1167 117 117 SER CA C 59.300 . 1 1168 117 117 SER CB C 65.204 . 1 1169 117 117 SER N N 115.014 . 1 1170 118 118 THR H H 7.866 . 1 1171 118 118 THR HA H 3.430 . 1 1172 118 118 THR HB H 3.950 . 1 1173 118 118 THR HG2 H 1.037 . 1 1174 118 118 THR C C 176.416 . 1 1175 118 118 THR CA C 68.200 . 1 1176 118 118 THR CB C 67.589 . 1 1177 118 118 THR CG2 C 24.000 . 1 1178 118 118 THR N N 120.330 . 1 1179 119 119 SER H H 9.233 . 1 1180 119 119 SER HA H 4.250 . 1 1181 119 119 SER HB2 H 4.080 . 2 1182 119 119 SER HB3 H 4.136 . 2 1183 119 119 SER C C 178.276 . 1 1184 119 119 SER CA C 62.650 . 1 1185 119 119 SER CB C 62.150 . 1 1186 119 119 SER N N 114.746 . 1 1187 120 120 THR H H 7.991 . 1 1188 120 120 THR HA H 4.190 . 1 1189 120 120 THR HB H 4.350 . 1 1190 120 120 THR HG2 H 1.382 . 1 1191 120 120 THR C C 176.419 . 1 1192 120 120 THR CA C 66.500 . 1 1193 120 120 THR CB C 69.050 . 1 1194 120 120 THR CG2 C 21.350 . 1 1195 120 120 THR N N 119.416 . 1 1196 121 121 VAL H H 8.257 . 1 1197 121 121 VAL HA H 3.680 . 1 1198 121 121 VAL HB H 2.270 . 1 1199 121 121 VAL HG1 H 1.200 . 2 1200 121 121 VAL HG2 H 1.148 . 2 1201 121 121 VAL C C 177.670 . 1 1202 121 121 VAL CA C 66.600 . 1 1203 121 121 VAL CB C 32.300 . 1 1204 121 121 VAL CG1 C 21.900 . 2 1205 121 121 VAL CG2 C 24.450 . 2 1206 121 121 VAL N N 121.003 . 1 1207 122 122 TRP H H 9.093 . 1 1208 122 122 TRP HA H 4.821 . 1 1209 122 122 TRP HB2 H 3.609 . 2 1210 122 122 TRP HB3 H 3.327 . 2 1211 122 122 TRP HD1 H 7.836 . 1 1212 122 122 TRP HE1 H 10.440 . 1 1213 122 122 TRP HZ2 H 7.193 . 1 1214 122 122 TRP HH2 H 6.946 . 1 1215 122 122 TRP C C 176.884 . 1 1216 122 122 TRP CA C 59.800 . 1 1217 122 122 TRP CB C 31.500 . 1 1218 122 122 TRP CD1 C 128.500 . 1 1219 122 122 TRP CZ2 C 114.740 . 1 1220 122 122 TRP CH2 C 123.770 . 1 1221 122 122 TRP N N 118.950 . 1 1222 122 122 TRP NE1 N 128.110 . 1 1223 123 123 LYS H H 7.710 . 1 1224 123 123 LYS HA H 3.590 . 1 1225 123 123 LYS HB2 H 2.030 . 2 1226 123 123 LYS HB3 H 2.280 . 2 1227 123 123 LYS HG2 H 1.370 . 1 1228 123 123 LYS HG3 H 1.370 . 1 1229 123 123 LYS HD2 H 2.020 . 1 1230 123 123 LYS HD3 H 2.020 . 1 1231 123 123 LYS HE2 H 3.100 . 1 1232 123 123 LYS HE3 H 3.100 . 1 1233 123 123 LYS C C 178.920 . 1 1234 123 123 LYS CA C 60.900 . 1 1235 123 123 LYS CB C 32.670 . 1 1236 123 123 LYS CG C 24.500 . 1 1237 123 123 LYS CD C 29.650 . 1 1238 123 123 LYS CE C 41.900 . 1 1239 123 123 LYS N N 116.230 . 1 1240 124 124 GLU H H 8.140 . 1 1241 124 124 GLU HA H 4.081 . 1 1242 124 124 GLU HB2 H 2.149 . 2 1243 124 124 GLU HB3 H 2.090 . 2 1244 124 124 GLU HG2 H 2.350 . 2 1245 124 124 GLU HG3 H 2.558 . 2 1246 124 124 GLU C C 181.643 . 1 1247 124 124 GLU CA C 58.750 . 1 1248 124 124 GLU CB C 29.440 . 1 1249 124 124 GLU CG C 35.880 . 1 1250 124 124 GLU N N 114.034 . 1 1251 125 125 LEU H H 8.895 . 1 1252 125 125 LEU HA H 4.160 . 1 1253 125 125 LEU HB2 H 1.480 . 2 1254 125 125 LEU HB3 H 2.110 . 2 1255 125 125 LEU HG H 2.080 . 1 1256 125 125 LEU HD1 H 0.910 . 1 1257 125 125 LEU HD2 H 0.910 . 1 1258 125 125 LEU C C 181.420 . 1 1259 125 125 LEU CA C 57.850 . 1 1260 125 125 LEU CB C 41.570 . 1 1261 125 125 LEU CG C 26.980 . 1 1262 125 125 LEU CD1 C 23.520 . 2 1263 125 125 LEU CD2 C 25.900 . 2 1264 125 125 LEU N N 118.950 . 1 1265 126 126 LEU H H 8.560 . 1 1266 126 126 LEU HA H 3.350 . 1 1267 126 126 LEU HB2 H 0.700 . 2 1268 126 126 LEU HB3 H 1.758 . 2 1269 126 126 LEU HD1 H 0.054 . 2 1270 126 126 LEU HD2 H 0.018 . 2 1271 126 126 LEU C C 179.230 . 1 1272 126 126 LEU CA C 58.400 . 1 1273 126 126 LEU CB C 42.100 . 1 1274 126 126 LEU CD1 C 25.142 . 2 1275 126 126 LEU CD2 C 24.500 . 2 1276 126 126 LEU N N 123.690 . 1 1277 127 127 LEU H H 7.495 . 1 1278 127 127 LEU HA H 3.375 . 1 1279 127 127 LEU HB2 H 1.700 . 2 1280 127 127 LEU HB3 H 1.280 . 2 1281 127 127 LEU HG H 1.602 . 1 1282 127 127 LEU HD1 H 0.560 . 2 1283 127 127 LEU HD2 H 0.914 . 2 1284 127 127 LEU C C 181.448 . 1 1285 127 127 LEU CA C 57.251 . 1 1286 127 127 LEU CB C 41.400 . 1 1287 127 127 LEU CG C 26.750 . 1 1288 127 127 LEU CD1 C 22.780 . 2 1289 127 127 LEU CD2 C 25.150 . 2 1290 127 127 LEU N N 116.700 . 1 1291 128 128 ALA H H 7.910 . 1 1292 128 128 ALA HA H 3.740 . 1 1293 128 128 ALA HB H 1.010 . 1 1294 128 128 ALA C C 179.212 . 1 1295 128 128 ALA CA C 54.294 . 1 1296 128 128 ALA CB C 18.850 . 1 1297 128 128 ALA N N 121.599 . 1 1298 129 129 THR H H 7.792 . 1 1299 129 129 THR HA H 3.610 . 1 1300 129 129 THR HB H 3.784 . 1 1301 129 129 THR HG2 H 0.354 . 1 1302 129 129 THR CA C 67.250 . 1 1303 129 129 THR CB C 67.250 . 1 1304 129 129 THR CG2 C 22.150 . 1 1305 129 129 THR N N 116.226 . 1 1306 130 130 ILE H H 7.645 . 1 1307 130 130 ILE HA H 3.590 . 1 1308 130 130 ILE HB H 1.490 . 1 1309 130 130 ILE HG12 H 0.700 . 2 1310 130 130 ILE HG13 H 0.840 . 2 1311 130 130 ILE HG2 H -0.475 . 1 1312 130 130 ILE HD1 H -0.545 . 1 1313 130 130 ILE C C 179.318 . 1 1314 130 130 ILE CA C 64.100 . 1 1315 130 130 ILE CB C 36.500 . 1 1316 130 130 ILE CG1 C 24.400 . 1 1317 130 130 ILE CG2 C 16.120 . 1 1318 130 130 ILE CD1 C 11.700 . 1 1319 130 130 ILE N N 114.090 . 1 1320 131 131 GLY H H 7.283 . 1 1321 131 131 GLY HA2 H 3.598 . 2 1322 131 131 GLY HA3 H 4.133 . 2 1323 131 131 GLY C C 174.050 . 1 1324 131 131 GLY CA C 44.951 . 1 1325 131 131 GLY N N 108.640 . 1 1326 132 132 GLU H H 7.974 . 1 1327 132 132 GLU HA H 4.479 . 1 1328 132 132 GLU HB2 H 2.203 . 1 1329 132 132 GLU HB3 H 2.203 . 1 1330 132 132 GLU C C 179.144 . 1 1331 132 132 GLU CA C 56.754 . 1 1332 132 132 GLU CB C 24.675 . 1 1333 132 132 GLU CG C 34.300 . 1 1334 132 132 GLU N N 113.628 . 1 1335 133 133 GLN H H 8.527 . 1 1336 133 133 GLN HA H 4.040 . 1 1337 133 133 GLN HB2 H 1.330 . 2 1338 133 133 GLN HB3 H 1.834 . 2 1339 133 133 GLN HG2 H 2.160 . 2 1340 133 133 GLN HG3 H 2.240 . 2 1341 133 133 GLN HE21 H 7.228 . 1 1342 133 133 GLN HE22 H 6.760 . 1 1343 133 133 GLN C C 178.069 . 1 1344 133 133 GLN CA C 57.540 . 1 1345 133 133 GLN CB C 27.500 . 1 1346 133 133 GLN CG C 34.450 . 1 1347 133 133 GLN N N 115.404 . 1 1348 133 133 GLN NE2 N 112.200 . 1 1349 134 134 PHE H H 7.999 . 1 1350 134 134 PHE HA H 4.910 . 1 1351 134 134 PHE HB2 H 2.960 . 2 1352 134 134 PHE HB3 H 3.268 . 2 1353 134 134 PHE HD1 H 7.168 . 3 1354 134 134 PHE HD2 H 7.168 . 3 1355 134 134 PHE HE1 H 7.116 . 3 1356 134 134 PHE HE2 H 7.116 . 3 1357 134 134 PHE HZ H 6.724 . 1 1358 134 134 PHE C C 178.587 . 1 1359 134 134 PHE CA C 57.900 . 1 1360 134 134 PHE CB C 39.000 . 1 1361 134 134 PHE CD1 C 131.100 . 3 1362 134 134 PHE CD2 C 131.100 . 3 1363 134 134 PHE CE1 C 131.100 . 3 1364 134 134 PHE CE2 C 131.100 . 3 1365 134 134 PHE CZ C 128.350 . 1 1366 134 134 PHE N N 113.208 . 1 1367 135 135 THR H H 7.425 . 1 1368 135 135 THR HA H 4.015 . 1 1369 135 135 THR HB H 4.300 . 1 1370 135 135 THR HG2 H 1.370 . 1 1371 135 135 THR C C 176.173 . 1 1372 135 135 THR CA C 66.380 . 1 1373 135 135 THR CB C 68.900 . 1 1374 135 135 THR CG2 C 21.900 . 1 1375 135 135 THR N N 118.550 . 1 1376 136 136 ASP H H 8.358 . 1 1377 136 136 ASP HA H 4.877 . 1 1378 136 136 ASP HB2 H 2.734 . 2 1379 136 136 ASP HB3 H 2.812 . 2 1380 136 136 ASP C C 177.273 . 1 1381 136 136 ASP CA C 54.340 . 1 1382 136 136 ASP CB C 40.117 . 1 1383 136 136 ASP N N 118.330 . 1 1384 137 137 CYS H H 7.631 . 1 1385 137 137 CYS HA H 4.608 . 1 1386 137 137 CYS HB2 H 2.914 . 1 1387 137 137 CYS HB3 H 2.914 . 1 1388 137 137 CYS C C 173.651 . 1 1389 137 137 CYS CA C 58.400 . 1 1390 137 137 CYS CB C 28.904 . 1 1391 137 137 CYS N N 114.900 . 1 1392 138 138 ALA H H 7.218 . 1 1393 138 138 ALA HA H 4.690 . 1 1394 138 138 ALA HB H 1.371 . 1 1395 138 138 ALA C C 177.120 . 1 1396 138 138 ALA CA C 50.187 . 1 1397 138 138 ALA CB C 20.700 . 1 1398 138 138 ALA N N 121.230 . 1 1399 139 139 ALA H H 9.418 . 1 1400 139 139 ALA HA H 4.245 . 1 1401 139 139 ALA HB H 1.532 . 1 1402 139 139 ALA C C 178.889 . 1 1403 139 139 ALA CA C 52.060 . 1 1404 139 139 ALA CB C 20.949 . 1 1405 139 139 ALA N N 123.639 . 1 1406 140 140 ALA H H 8.630 . 1 1407 140 140 ALA HA H 4.173 . 1 1408 140 140 ALA HB H 1.457 . 1 1409 140 140 ALA C C 179.918 . 1 1410 140 140 ALA CA C 55.218 . 1 1411 140 140 ALA CB C 18.000 . 1 1412 140 140 ALA N N 123.490 . 1 1413 141 141 ASP H H 8.026 . 1 1414 141 141 ASP HA H 4.772 . 1 1415 141 141 ASP HB2 H 2.508 . 2 1416 141 141 ASP HB3 H 2.850 . 2 1417 141 141 ASP C C 175.624 . 1 1418 141 141 ASP CA C 54.646 . 1 1419 141 141 ASP CB C 40.024 . 1 1420 141 141 ASP N N 112.841 . 1 1421 142 142 ASP H H 8.147 . 1 1422 142 142 ASP HA H 5.036 . 1 1423 142 142 ASP HB2 H 2.430 . 2 1424 142 142 ASP HB3 H 2.944 . 2 1425 142 142 ASP C C 175.002 . 1 1426 142 142 ASP CA C 51.680 . 1 1427 142 142 ASP CB C 45.000 . 1 1428 142 142 ASP N N 121.849 . 1 1429 143 143 GLU H H 9.170 . 1 1430 143 143 GLU HA H 4.355 . 1 1431 143 143 GLU HB2 H 2.036 . 2 1432 143 143 GLU HB3 H 1.908 . 2 1433 143 143 GLU HG2 H 2.210 . 1 1434 143 143 GLU HG3 H 2.210 . 1 1435 143 143 GLU C C 175.208 . 1 1436 143 143 GLU CA C 56.664 . 1 1437 143 143 GLU CB C 33.273 . 1 1438 143 143 GLU CG C 36.500 . 1 1439 143 143 GLU N N 119.830 . 1 1440 144 144 ILE H H 8.982 . 1 1441 144 144 ILE HA H 5.150 . 1 1442 144 144 ILE HB H 2.207 . 1 1443 144 144 ILE HG12 H 1.200 . 2 1444 144 144 ILE HG13 H 1.620 . 2 1445 144 144 ILE HG2 H 1.140 . 1 1446 144 144 ILE HD1 H 0.828 . 1 1447 144 144 ILE C C 179.256 . 1 1448 144 144 ILE CA C 58.898 . 1 1449 144 144 ILE CB C 35.500 . 1 1450 144 144 ILE CG1 C 28.400 . 1 1451 144 144 ILE CG2 C 18.100 . 1 1452 144 144 ILE CD1 C 10.588 . 1 1453 144 144 ILE N N 124.620 . 1 1454 145 145 ILE H H 8.718 . 1 1455 145 145 ILE HA H 4.670 . 1 1456 145 145 ILE HB H 2.170 . 1 1457 145 145 ILE HG12 H 1.210 . 1 1458 145 145 ILE HG13 H 1.210 . 1 1459 145 145 ILE HG2 H 0.814 . 1 1460 145 145 ILE HD1 H 0.970 . 1 1461 145 145 ILE C C 175.286 . 1 1462 145 145 ILE CA C 61.234 . 1 1463 145 145 ILE CB C 40.538 . 1 1464 145 145 ILE CG1 C 27.400 . 1 1465 145 145 ILE CG2 C 19.220 . 1 1466 145 145 ILE CD1 C 15.500 . 1 1467 145 145 ILE N N 117.856 . 1 1468 146 146 GLY H H 7.650 . 1 1469 146 146 GLY HA2 H 4.790 . 2 1470 146 146 GLY HA3 H 5.203 . 2 1471 146 146 GLY C C 172.591 . 1 1472 146 146 GLY CA C 47.946 . 1 1473 146 146 GLY N N 108.782 . 1 1474 147 147 VAL H H 9.040 . 1 1475 147 147 VAL HA H 5.970 . 1 1476 147 147 VAL HB H 2.440 . 1 1477 147 147 VAL HG1 H 1.106 . 2 1478 147 147 VAL HG2 H 1.224 . 2 1479 147 147 VAL C C 175.300 . 1 1480 147 147 VAL CA C 60.030 . 1 1481 147 147 VAL CB C 36.580 . 1 1482 147 147 VAL CG1 C 20.820 . 2 1483 147 147 VAL CG2 C 22.950 . 2 1484 147 147 VAL N N 116.708 . 1 1485 148 148 SER H H 9.530 . 1 1486 148 148 SER HA H 6.030 . 1 1487 148 148 SER HB2 H 3.610 . 2 1488 148 148 SER HB3 H 4.150 . 2 1489 148 148 SER C C 173.665 . 1 1490 148 148 SER CA C 58.210 . 1 1491 148 148 SER CB C 65.666 . 1 1492 148 148 SER N N 118.050 . 1 1493 149 149 VAL H H 8.658 . 1 1494 149 149 VAL HA H 5.140 . 1 1495 149 149 VAL HB H 1.532 . 1 1496 149 149 VAL HG1 H 0.594 . 2 1497 149 149 VAL HG2 H -0.412 . 2 1498 149 149 VAL C C 172.568 . 1 1499 149 149 VAL CA C 59.053 . 1 1500 149 149 VAL CB C 34.077 . 1 1501 149 149 VAL CG1 C 21.894 . 2 1502 149 149 VAL CG2 C 18.100 . 2 1503 149 149 VAL N N 120.433 . 1 1504 150 150 SER H H 9.080 . 1 1505 150 150 SER HA H 5.070 . 1 1506 150 150 SER HB2 H 3.630 . 2 1507 150 150 SER HB3 H 3.490 . 2 1508 150 150 SER C C 175.193 . 1 1509 150 150 SER CA C 56.000 . 1 1510 150 150 SER CB C 65.000 . 1 1511 150 150 SER N N 120.200 . 1 1512 151 151 VAL H H 7.900 . 1 1513 151 151 VAL HA H 4.507 . 1 1514 151 151 VAL HB H 2.000 . 1 1515 151 151 VAL HG1 H 0.880 . 2 1516 151 151 VAL HG2 H 0.910 . 2 1517 151 151 VAL C C 178.710 . 1 1518 151 151 VAL CA C 62.010 . 1 1519 151 151 VAL CB C 31.649 . 1 1520 151 151 VAL CG1 C 21.490 . 2 1521 151 151 VAL CG2 C 22.360 . 2 1522 151 151 VAL N N 127.223 . 1 1523 152 152 ARG H H 8.675 . 1 1524 152 152 ARG HA H 4.964 . 1 1525 152 152 ARG HB2 H 2.559 . 2 1526 152 152 ARG HB3 H 2.043 . 2 1527 152 152 ARG C C 176.663 . 1 1528 152 152 ARG CA C 52.914 . 1 1529 152 152 ARG CB C 31.174 . 1 1530 152 152 ARG N N 126.920 . 1 1531 153 153 ASP H H 8.380 . 1 1532 153 153 ASP HA H 4.371 . 1 1533 153 153 ASP HB2 H 2.670 . 1 1534 153 153 ASP HB3 H 2.670 . 1 1535 153 153 ASP C C 178.517 . 1 1536 153 153 ASP CA C 57.183 . 1 1537 153 153 ASP CB C 41.400 . 1 1538 153 153 ASP N N 118.712 . 1 1539 154 154 ARG H H 8.680 . 1 1540 154 154 ARG N N 116.910 . 1 1541 155 155 GLU H H 8.070 . 1 1542 155 155 GLU HA H 4.472 . 1 1543 155 155 GLU HB2 H 1.928 . 2 1544 155 155 GLU HB3 H 2.089 . 2 1545 155 155 GLU CA C 55.920 . 1 1546 155 155 GLU CB C 31.550 . 1 1547 155 155 GLU CG C 35.300 . 1 1548 155 155 GLU N N 118.520 . 1 1549 156 156 ASP H H 8.223 . 1 1550 156 156 ASP HA H 5.190 . 1 1551 156 156 ASP HB2 H 2.610 . 2 1552 156 156 ASP HB3 H 2.500 . 2 1553 156 156 ASP C C 175.807 . 1 1554 156 156 ASP CA C 54.270 . 1 1555 156 156 ASP CB C 42.179 . 1 1556 156 156 ASP N N 119.920 . 1 1557 157 157 VAL H H 8.733 . 1 1558 157 157 VAL HA H 5.135 . 1 1559 157 157 VAL HB H 1.837 . 1 1560 157 157 VAL HG1 H 0.962 . 2 1561 157 157 VAL HG2 H 0.900 . 2 1562 157 157 VAL C C 176.579 . 1 1563 157 157 VAL CA C 61.000 . 1 1564 157 157 VAL CB C 35.778 . 1 1565 157 157 VAL CG1 C 22.029 . 2 1566 157 157 VAL CG2 C 21.500 . 2 1567 157 157 VAL N N 118.476 . 1 1568 158 158 VAL H H 9.102 . 1 1569 158 158 VAL HA H 5.360 . 1 1570 158 158 VAL HB H 2.045 . 1 1571 158 158 VAL HG1 H 1.150 . 2 1572 158 158 VAL HG2 H 1.082 . 2 1573 158 158 VAL C C 175.906 . 1 1574 158 158 VAL CA C 59.519 . 1 1575 158 158 VAL CB C 34.976 . 1 1576 158 158 VAL CG1 C 21.250 . 2 1577 158 158 VAL CG2 C 21.500 . 2 1578 158 158 VAL N N 126.100 . 1 1579 159 159 GLN H H 8.925 . 1 1580 159 159 GLN HA H 6.125 . 1 1581 159 159 GLN HB2 H 1.845 . 1 1582 159 159 GLN HB3 H 1.845 . 1 1583 159 159 GLN HG2 H 2.408 . 2 1584 159 159 GLN HG3 H 2.080 . 2 1585 159 159 GLN HE21 H 7.375 . 1 1586 159 159 GLN HE22 H 6.615 . 1 1587 159 159 GLN C C 176.361 . 1 1588 159 159 GLN CA C 53.150 . 1 1589 159 159 GLN CB C 33.601 . 1 1590 159 159 GLN CG C 34.500 . 1 1591 159 159 GLN N N 120.192 . 1 1592 159 159 GLN NE2 N 107.210 . 1 1593 160 160 VAL H H 8.760 . 1 1594 160 160 VAL HA H 5.165 . 1 1595 160 160 VAL HB H 2.110 . 1 1596 160 160 VAL HG1 H 0.854 . 1 1597 160 160 VAL HG2 H 0.854 . 1 1598 160 160 VAL C C 175.791 . 1 1599 160 160 VAL CA C 61.900 . 1 1600 160 160 VAL CB C 35.158 . 1 1601 160 160 VAL CG1 C 20.725 . 1 1602 160 160 VAL CG2 C 20.725 . 1 1603 160 160 VAL N N 120.900 . 1 1604 161 161 TRP H H 9.427 . 1 1605 161 161 TRP HA H 5.585 . 1 1606 161 161 TRP HB2 H 3.296 . 1 1607 161 161 TRP HB3 H 3.296 . 1 1608 161 161 TRP HD1 H 7.072 . 1 1609 161 161 TRP HE1 H 11.485 . 1 1610 161 161 TRP HE3 H 8.046 . 1 1611 161 161 TRP HZ2 H 7.180 . 1 1612 161 161 TRP HZ3 H 6.552 . 1 1613 161 161 TRP HH2 H 6.440 . 1 1614 161 161 TRP C C 177.999 . 1 1615 161 161 TRP CA C 56.794 . 1 1616 161 161 TRP CB C 30.983 . 1 1617 161 161 TRP CD1 C 125.200 . 1 1618 161 161 TRP CE3 C 120.230 . 1 1619 161 161 TRP CZ2 C 114.490 . 1 1620 161 161 TRP CZ3 C 120.290 . 1 1621 161 161 TRP CH2 C 122.790 . 1 1622 161 161 TRP N N 128.033 . 1 1623 161 161 TRP NE1 N 133.175 . 1 1624 162 162 ASN H H 9.265 . 1 1625 162 162 ASN HA H 6.330 . 1 1626 162 162 ASN HB2 H 4.130 . 2 1627 162 162 ASN HB3 H 2.900 . 2 1628 162 162 ASN HD21 H 10.584 . 1 1629 162 162 ASN HD22 H 10.584 . 1 1630 162 162 ASN C C 176.120 . 1 1631 162 162 ASN CA C 51.000 . 1 1632 162 162 ASN CB C 40.213 . 1 1633 162 162 ASN N N 123.374 . 1 1634 162 162 ASN ND2 N 113.891 . 1 1635 163 163 VAL H H 8.085 . 1 1636 163 163 VAL HA H 4.560 . 1 1637 163 163 VAL HB H 2.390 . 1 1638 163 163 VAL HG1 H 1.253 . 2 1639 163 163 VAL HG2 H 1.335 . 2 1640 163 163 VAL C C 177.283 . 1 1641 163 163 VAL CA C 62.800 . 1 1642 163 163 VAL CB C 35.000 . 1 1643 163 163 VAL CG1 C 22.180 . 2 1644 163 163 VAL CG2 C 23.090 . 2 1645 163 163 VAL N N 115.183 . 1 1646 164 164 ASN H H 8.374 . 1 1647 164 164 ASN HA H 4.840 . 1 1648 164 164 ASN HB2 H 2.930 . 2 1649 164 164 ASN HB3 H 2.450 . 2 1650 164 164 ASN HD21 H 7.540 . 1 1651 164 164 ASN HD22 H 7.190 . 1 1652 164 164 ASN C C 175.330 . 1 1653 164 164 ASN CA C 51.200 . 1 1654 164 164 ASN CB C 39.010 . 1 1655 164 164 ASN N N 121.409 . 1 1656 164 164 ASN ND2 N 111.900 . 1 1657 165 165 ALA H H 9.526 . 1 1658 165 165 ALA HA H 4.281 . 1 1659 165 165 ALA HB H 1.402 . 1 1660 165 165 ALA C C 180.850 . 1 1661 165 165 ALA CA C 54.650 . 1 1662 165 165 ALA CB C 18.750 . 1 1663 165 165 ALA N N 127.476 . 1 1664 166 166 SER H H 8.345 . 1 1665 166 166 SER HA H 4.300 . 1 1666 166 166 SER HB2 H 3.990 . 1 1667 166 166 SER HB3 H 3.990 . 1 1668 166 166 SER C C 176.519 . 1 1669 166 166 SER CA C 60.800 . 1 1670 166 166 SER CB C 62.951 . 1 1671 166 166 SER N N 113.472 . 1 1672 167 167 LEU H H 7.175 . 1 1673 167 167 LEU HA H 4.725 . 1 1674 167 167 LEU HB2 H 1.790 . 2 1675 167 167 LEU HB3 H 1.370 . 2 1676 167 167 LEU HG H 1.500 . 1 1677 167 167 LEU HD1 H 0.832 . 2 1678 167 167 LEU HD2 H 0.790 . 2 1679 167 167 LEU C C 179.925 . 1 1680 167 167 LEU CA C 54.112 . 1 1681 167 167 LEU CB C 41.700 . 1 1682 167 167 LEU CD1 C 27.500 . 2 1683 167 167 LEU CD2 C 22.140 . 2 1684 167 167 LEU N N 119.700 . 1 1685 168 168 VAL H H 7.219 . 1 1686 168 168 VAL HA H 3.660 . 1 1687 168 168 VAL HB H 1.550 . 1 1688 168 168 VAL HG1 H -0.004 . 2 1689 168 168 VAL HG2 H 0.440 . 2 1690 168 168 VAL C C 178.294 . 1 1691 168 168 VAL CA C 65.270 . 1 1692 168 168 VAL CB C 31.800 . 1 1693 168 168 VAL CG1 C 20.330 . 2 1694 168 168 VAL CG2 C 19.810 . 2 1695 168 168 VAL N N 121.084 . 1 1696 169 169 GLY H H 8.850 . 1 1697 169 169 GLY HA2 H 3.800 . 2 1698 169 169 GLY HA3 H 3.960 . 2 1699 169 169 GLY C C 175.748 . 1 1700 169 169 GLY CA C 46.253 . 1 1701 169 169 GLY N N 110.500 . 1 1702 170 170 GLU H H 7.389 . 1 1703 170 170 GLU HA H 4.430 . 1 1704 170 170 GLU HB2 H 1.890 . 2 1705 170 170 GLU HB3 H 2.310 . 2 1706 170 170 GLU HG2 H 2.240 . 1 1707 170 170 GLU HG3 H 2.240 . 1 1708 170 170 GLU C C 177.073 . 1 1709 170 170 GLU CA C 55.648 . 1 1710 170 170 GLU CB C 31.200 . 1 1711 170 170 GLU CG C 36.500 . 1 1712 170 170 GLU N N 116.500 . 1 1713 171 171 ALA H H 7.656 . 1 1714 171 171 ALA HA H 4.727 . 1 1715 171 171 ALA HB H 1.970 . 1 1716 171 171 ALA C C 179.447 . 1 1717 171 171 ALA CA C 52.443 . 1 1718 171 171 ALA CB C 20.630 . 1 1719 171 171 ALA N N 122.317 . 1 1720 172 172 THR H H 9.060 . 1 1721 172 172 THR HA H 4.900 . 1 1722 172 172 THR HB H 4.605 . 1 1723 172 172 THR HG2 H 1.107 . 1 1724 172 172 THR C C 176.290 . 1 1725 172 172 THR CA C 60.500 . 1 1726 172 172 THR CB C 67.800 . 1 1727 172 172 THR CG2 C 22.030 . 1 1728 172 172 THR N N 112.330 . 1 1729 173 173 VAL H H 6.525 . 1 1730 173 173 VAL HA H 3.295 . 1 1731 173 173 VAL HB H 0.460 . 1 1732 173 173 VAL HG1 H 0.480 . 2 1733 173 173 VAL HG2 H -0.223 . 2 1734 173 173 VAL C C 177.615 . 1 1735 173 173 VAL CA C 66.211 . 1 1736 173 173 VAL CB C 32.800 . 1 1737 173 173 VAL CG1 C 22.900 . 2 1738 173 173 VAL CG2 C 19.200 . 2 1739 173 173 VAL N N 123.820 . 1 1740 174 174 LEU H H 8.283 . 1 1741 174 174 LEU HA H 3.551 . 1 1742 174 174 LEU HB2 H 1.185 . 2 1743 174 174 LEU HB3 H 1.609 . 2 1744 174 174 LEU HG H 1.180 . 1 1745 174 174 LEU HD1 H 0.435 . 2 1746 174 174 LEU HD2 H 0.855 . 2 1747 174 174 LEU C C 180.283 . 1 1748 174 174 LEU CA C 57.700 . 1 1749 174 174 LEU CB C 40.220 . 1 1750 174 174 LEU CG C 26.600 . 1 1751 174 174 LEU CD1 C 22.360 . 2 1752 174 174 LEU CD2 C 25.270 . 2 1753 174 174 LEU N N 118.250 . 1 1754 175 175 GLU H H 8.533 . 1 1755 175 175 GLU HA H 3.984 . 1 1756 175 175 GLU HB2 H 2.134 . 2 1757 175 175 GLU HB3 H 1.940 . 2 1758 175 175 GLU HG2 H 2.260 . 2 1759 175 175 GLU HG3 H 2.440 . 2 1760 175 175 GLU C C 180.165 . 1 1761 175 175 GLU CA C 60.322 . 1 1762 175 175 GLU CB C 28.500 . 1 1763 175 175 GLU CG C 37.260 . 1 1764 175 175 GLU N N 120.873 . 1 1765 176 176 LYS H H 7.805 . 1 1766 176 176 LYS HA H 4.173 . 1 1767 176 176 LYS HB2 H 2.250 . 1 1768 176 176 LYS HB3 H 2.250 . 1 1769 176 176 LYS C C 179.419 . 1 1770 176 176 LYS CA C 57.714 . 1 1771 176 176 LYS CB C 30.633 . 1 1772 176 176 LYS N N 121.600 . 1 1773 177 177 ILE H H 8.381 . 1 1774 177 177 ILE HA H 3.473 . 1 1775 177 177 ILE HB H 1.715 . 1 1776 177 177 ILE HG12 H 1.955 . 2 1777 177 177 ILE HG13 H 0.810 . 2 1778 177 177 ILE HG2 H 0.616 . 1 1779 177 177 ILE HD1 H 0.462 . 1 1780 177 177 ILE C C 178.195 . 1 1781 177 177 ILE CA C 66.937 . 1 1782 177 177 ILE CB C 37.500 . 1 1783 177 177 ILE CG1 C 30.110 . 1 1784 177 177 ILE CG2 C 17.500 . 1 1785 177 177 ILE CD1 C 13.760 . 1 1786 177 177 ILE N N 120.062 . 1 1787 178 178 HIS H H 7.910 . 1 1788 178 178 HIS HA H 4.245 . 1 1789 178 178 HIS HB2 H 3.255 . 1 1790 178 178 HIS HB3 H 3.255 . 1 1791 178 178 HIS HD2 H 7.150 . 1 1792 178 178 HIS C C 177.344 . 1 1793 178 178 HIS CA C 59.332 . 1 1794 178 178 HIS CB C 28.600 . 1 1795 178 178 HIS CD2 C 121.500 . 1 1796 178 178 HIS N N 116.315 . 1 1797 179 179 GLN H H 7.746 . 1 1798 179 179 GLN HA H 3.940 . 1 1799 179 179 GLN HB2 H 2.240 . 1 1800 179 179 GLN HB3 H 2.240 . 1 1801 179 179 GLN HG2 H 2.314 . 2 1802 179 179 GLN HG3 H 2.585 . 2 1803 179 179 GLN HE21 H 6.842 . 1 1804 179 179 GLN HE22 H 7.186 . 1 1805 179 179 GLN C C 179.621 . 1 1806 179 179 GLN CA C 58.200 . 1 1807 179 179 GLN CB C 28.500 . 1 1808 179 179 GLN CG C 33.800 . 1 1809 179 179 GLN N N 117.261 . 1 1810 179 179 GLN NE2 N 111.310 . 1 1811 180 180 LEU H H 8.183 . 1 1812 180 180 LEU HA H 4.120 . 1 1813 180 180 LEU HB2 H 1.470 . 2 1814 180 180 LEU HB3 H 1.900 . 2 1815 180 180 LEU HG H 1.826 . 1 1816 180 180 LEU HD1 H 0.815 . 2 1817 180 180 LEU HD2 H 0.616 . 2 1818 180 180 LEU C C 178.982 . 1 1819 180 180 LEU CA C 56.800 . 1 1820 180 180 LEU CB C 43.600 . 1 1821 180 180 LEU CG C 26.200 . 1 1822 180 180 LEU CD1 C 22.460 . 2 1823 180 180 LEU CD2 C 25.910 . 2 1824 180 180 LEU N N 118.990 . 1 1825 181 181 LEU H H 7.871 . 1 1826 181 181 LEU HA H 4.839 . 1 1827 181 181 LEU HB2 H 1.990 . 1 1828 181 181 LEU HB3 H 1.990 . 1 1829 181 181 LEU HD1 H 0.988 . 2 1830 181 181 LEU HD2 H 1.176 . 2 1831 181 181 LEU C C 175.801 . 1 1832 181 181 LEU CA C 52.370 . 1 1833 181 181 LEU CB C 42.400 . 1 1834 181 181 LEU CD1 C 24.100 . 2 1835 181 181 LEU CD2 C 27.900 . 2 1836 181 181 LEU N N 118.500 . 1 1837 182 182 PRO HA H 4.467 . 1 1838 182 182 PRO HB2 H 1.650 . 2 1839 182 182 PRO HB3 H 2.141 . 2 1840 182 182 PRO HG2 H 1.958 . 1 1841 182 182 PRO HG3 H 1.958 . 1 1842 182 182 PRO HD2 H 3.610 . 2 1843 182 182 PRO HD3 H 3.460 . 2 1844 182 182 PRO C C 178.630 . 1 1845 182 182 PRO CA C 65.100 . 1 1846 182 182 PRO CB C 31.800 . 1 1847 182 182 PRO CG C 27.000 . 1 1848 182 182 PRO CD C 50.000 . 1 1849 183 183 HIS H H 8.762 . 1 1850 183 183 HIS HA H 4.759 . 1 1851 183 183 HIS HB2 H 3.229 . 2 1852 183 183 HIS HB3 H 3.147 . 2 1853 183 183 HIS HD2 H 7.096 . 1 1854 183 183 HIS HE1 H 8.087 . 1 1855 183 183 HIS C C 176.004 . 1 1856 183 183 HIS CA C 55.618 . 1 1857 183 183 HIS CB C 29.855 . 1 1858 183 183 HIS CD2 C 119.580 . 1 1859 183 183 HIS CE1 C 138.230 . 1 1860 183 183 HIS N N 115.430 . 1 1861 184 184 ILE H H 6.921 . 1 1862 184 184 ILE HA H 3.965 . 1 1863 184 184 ILE HB H 1.590 . 1 1864 184 184 ILE HG12 H 0.980 . 2 1865 184 184 ILE HG13 H 1.130 . 2 1866 184 184 ILE HG2 H -0.051 . 1 1867 184 184 ILE HD1 H 0.567 . 1 1868 184 184 ILE C C 175.492 . 1 1869 184 184 ILE CA C 58.010 . 1 1870 184 184 ILE CB C 36.450 . 1 1871 184 184 ILE CG1 C 27.710 . 1 1872 184 184 ILE CG2 C 15.800 . 1 1873 184 184 ILE CD1 C 9.650 . 1 1874 184 184 ILE N N 121.470 . 1 1875 185 185 ALA H H 8.440 . 1 1876 185 185 ALA HA H 4.559 . 1 1877 185 185 ALA HB H 1.267 . 1 1878 185 185 ALA C C 176.825 . 1 1879 185 185 ALA CA C 50.464 . 1 1880 185 185 ALA CB C 17.500 . 1 1881 185 185 ALA N N 132.370 . 1 1882 186 186 PHE H H 7.940 . 1 1883 186 186 PHE HA H 4.650 . 1 1884 186 186 PHE HB2 H 2.874 . 2 1885 186 186 PHE HB3 H 2.950 . 2 1886 186 186 PHE HD1 H 7.185 . 3 1887 186 186 PHE HD2 H 7.185 . 3 1888 186 186 PHE HE1 H 7.165 . 3 1889 186 186 PHE HE2 H 7.165 . 3 1890 186 186 PHE HZ H 6.960 . 1 1891 186 186 PHE C C 177.960 . 1 1892 186 186 PHE CA C 58.900 . 1 1893 186 186 PHE CB C 39.923 . 1 1894 186 186 PHE CD1 C 132.300 . 3 1895 186 186 PHE CD2 C 132.300 . 3 1896 186 186 PHE CE1 C 132.000 . 3 1897 186 186 PHE CE2 C 132.000 . 3 1898 186 186 PHE CZ C 129.300 . 1 1899 186 186 PHE N N 121.224 . 1 1900 187 187 LYS H H 8.812 . 1 1901 187 187 LYS HA H 4.600 . 1 1902 187 187 LYS HB2 H 1.680 . 2 1903 187 187 LYS HB3 H 1.929 . 2 1904 187 187 LYS HG2 H 1.456 . 2 1905 187 187 LYS HG3 H 1.526 . 2 1906 187 187 LYS HD2 H 1.699 . 1 1907 187 187 LYS HD3 H 1.699 . 1 1908 187 187 LYS C C 176.367 . 1 1909 187 187 LYS CA C 55.500 . 1 1910 187 187 LYS CB C 34.400 . 1 1911 187 187 LYS CG C 24.750 . 1 1912 187 187 LYS CD C 28.770 . 1 1913 187 187 LYS N N 121.931 . 1 1914 188 188 ALA H H 8.236 . 1 1915 188 188 ALA HA H 4.260 . 1 1916 188 188 ALA HB H 1.461 . 1 1917 188 188 ALA C C 176.529 . 1 1918 188 188 ALA CA C 52.630 . 1 1919 188 188 ALA CB C 19.330 . 1 1920 188 188 ALA N N 121.225 . 1 1921 189 189 VAL H H 8.100 . 1 1922 189 189 VAL HA H 4.975 . 1 1923 189 189 VAL HB H 2.033 . 1 1924 189 189 VAL HG1 H 0.910 . 1 1925 189 189 VAL HG2 H 0.910 . 1 1926 189 189 VAL C C 177.395 . 1 1927 189 189 VAL CA C 61.600 . 1 1928 189 189 VAL CB C 33.300 . 1 1929 189 189 VAL CG1 C 21.900 . 1 1930 189 189 VAL CG2 C 21.900 . 1 1931 189 189 VAL N N 118.651 . 1 1932 190 190 PHE H H 8.678 . 1 1933 190 190 PHE HA H 4.963 . 1 1934 190 190 PHE HB2 H 3.355 . 2 1935 190 190 PHE HB3 H 2.972 . 2 1936 190 190 PHE HD1 H 7.050 . 3 1937 190 190 PHE HD2 H 7.050 . 3 1938 190 190 PHE HE1 H 7.148 . 3 1939 190 190 PHE HE2 H 7.148 . 3 1940 190 190 PHE HZ H 7.237 . 1 1941 190 190 PHE C C 173.007 . 1 1942 190 190 PHE CA C 56.540 . 1 1943 190 190 PHE CB C 40.900 . 1 1944 190 190 PHE CD1 C 132.860 . 3 1945 190 190 PHE CD2 C 132.860 . 3 1946 190 190 PHE CE1 C 131.160 . 3 1947 190 190 PHE CE2 C 131.160 . 3 1948 190 190 PHE CZ C 129.830 . 1 1949 190 190 PHE N N 123.356 . 1 1950 191 191 TYR H H 8.651 . 1 1951 191 191 TYR HA H 4.937 . 1 1952 191 191 TYR HB2 H 2.445 . 1 1953 191 191 TYR HB3 H 2.445 . 1 1954 191 191 TYR HD1 H 6.520 . 3 1955 191 191 TYR HD2 H 6.520 . 3 1956 191 191 TYR HE1 H 6.050 . 3 1957 191 191 TYR HE2 H 6.050 . 3 1958 191 191 TYR C C 175.488 . 1 1959 191 191 TYR CA C 56.956 . 1 1960 191 191 TYR CB C 39.815 . 1 1961 191 191 TYR CD1 C 132.200 . 3 1962 191 191 TYR CD2 C 132.200 . 3 1963 191 191 TYR CE1 C 115.900 . 3 1964 191 191 TYR CE2 C 115.900 . 3 1965 191 191 TYR N N 121.023 . 1 1966 192 192 LYS H H 7.878 . 1 1967 192 192 LYS HA H 4.580 . 1 1968 192 192 LYS HB2 H 1.500 . 2 1969 192 192 LYS HB3 H 1.850 . 2 1970 192 192 LYS HG2 H 1.080 . 1 1971 192 192 LYS HG3 H 1.080 . 1 1972 192 192 LYS C C 173.529 . 1 1973 192 192 LYS CA C 51.120 . 1 1974 192 192 LYS CB C 35.300 . 1 1975 192 192 LYS CG C 25.800 . 1 1976 192 192 LYS N N 129.650 . 1 1977 193 193 PRO HA H 4.063 . 1 1978 193 193 PRO HB2 H 1.480 . 2 1979 193 193 PRO HB3 H 1.990 . 2 1980 193 193 PRO HD2 H 3.620 . 2 1981 193 193 PRO HD3 H 3.338 . 2 1982 193 193 PRO CA C 61.270 . 1 1983 193 193 PRO CB C 32.000 . 1 1984 193 193 PRO CD C 51.830 . 1 1985 194 194 HIS H H 7.971 . 1 1986 194 194 HIS HA H 3.867 . 1 1987 194 194 HIS HB2 H 2.450 . 2 1988 194 194 HIS HB3 H 2.370 . 2 1989 194 194 HIS HD2 H 7.293 . 1 1990 194 194 HIS HE1 H 6.470 . 1 1991 194 194 HIS CA C 57.780 . 1 1992 194 194 HIS CB C 29.980 . 1 1993 194 194 HIS CD2 C 119.800 . 1 1994 194 194 HIS CE1 C 137.240 . 1 1995 194 194 HIS N N 126.035 . 1 1996 195 195 GLU H H 7.839 . 1 1997 195 195 GLU HA H 2.735 . 1 1998 195 195 GLU HB2 H 1.675 . 2 1999 195 195 GLU HB3 H 1.660 . 2 2000 195 195 GLU HG2 H 2.010 . 1 2001 195 195 GLU HG3 H 2.010 . 1 2002 195 195 GLU CA C 56.900 . 1 2003 195 195 GLU CB C 29.600 . 1 2004 195 195 GLU CG C 36.400 . 1 2005 195 195 GLU N N 111.257 . 1 2006 196 196 GLU H H 6.937 . 1 2007 196 196 GLU HA H 4.130 . 1 2008 196 196 GLU HB2 H 2.080 . 2 2009 196 196 GLU HB3 H 1.590 . 2 2010 196 196 GLU HG2 H 2.073 . 2 2011 196 196 GLU HG3 H 2.134 . 2 2012 196 196 GLU CA C 55.700 . 1 2013 196 196 GLU CB C 30.300 . 1 2014 196 196 GLU CG C 36.700 . 1 2015 196 196 GLU N N 115.030 . 1 2016 197 197 HIS H H 7.843 . 1 2017 197 197 HIS HA H 4.138 . 1 2018 197 197 HIS HB2 H 2.487 . 2 2019 197 197 HIS HB3 H 2.826 . 2 2020 197 197 HIS HD2 H 6.533 . 1 2021 197 197 HIS HE1 H 7.845 . 1 2022 197 197 HIS CA C 58.060 . 1 2023 197 197 HIS CB C 31.000 . 1 2024 197 197 HIS CD2 C 119.382 . 1 2025 197 197 HIS CE1 C 136.900 . 1 2026 197 197 HIS N N 123.160 . 1 2027 198 198 HIS HA H 4.440 . 1 2028 198 198 HIS HB2 H 3.190 . 2 2029 198 198 HIS HB3 H 3.296 . 2 2030 198 198 HIS HD2 H 7.215 . 1 2031 198 198 HIS CA C 59.000 . 1 2032 198 198 HIS CB C 29.300 . 1 2033 198 198 HIS CD2 C 120.390 . 1 2034 199 199 ALA H H -0.914 . 1 2035 199 199 ALA HA H 4.638 . 1 2036 199 199 ALA HB H 1.766 . 1 2037 199 199 ALA CA C 51.800 . 1 2038 199 199 ALA CB C 19.750 . 1 2039 200 200 PHE H H 7.926 . 1 2040 200 200 PHE HA H 4.625 . 1 2041 200 200 PHE HB2 H 3.200 . 1 2042 200 200 PHE HB3 H 3.200 . 1 2043 200 200 PHE HD1 H 7.278 . 3 2044 200 200 PHE HD2 H 7.278 . 3 2045 200 200 PHE HE1 H 7.310 . 3 2046 200 200 PHE HE2 H 7.310 . 3 2047 200 200 PHE HZ H 7.510 . 1 2048 200 200 PHE CA C 59.630 . 1 2049 200 200 PHE CB C 39.940 . 1 2050 200 200 PHE CD1 C 132.900 . 3 2051 200 200 PHE CD2 C 132.900 . 3 2052 200 200 PHE CE1 C 131.400 . 3 2053 200 200 PHE CE2 C 131.400 . 3 2054 200 200 PHE CZ C 130.700 . 1 2055 200 200 PHE N N 121.540 . 1 2056 201 201 GLU H H 9.860 . 1 2057 201 201 GLU HA H 4.450 . 1 2058 201 201 GLU HB2 H 1.576 . 2 2059 201 201 GLU HB3 H 2.175 . 2 2060 201 201 GLU HG2 H 2.454 . 1 2061 201 201 GLU HG3 H 2.454 . 1 2062 201 201 GLU CA C 56.200 . 1 2063 201 201 GLU CB C 29.662 . 1 2064 201 201 GLU CG C 36.530 . 1 2065 201 201 GLU N N 129.280 . 1 2066 202 202 GLY H H 6.269 . 1 2067 202 202 GLY HA2 H 3.690 . 2 2068 202 202 GLY HA3 H 3.954 . 2 2069 202 202 GLY CA C 45.570 . 1 2070 202 202 GLY N N 107.190 . 1 2071 203 203 GLY H H 8.510 . 1 2072 203 203 GLY HA2 H 4.030 . 1 2073 203 203 GLY HA3 H 4.030 . 1 2074 203 203 GLY C C 175.509 . 1 2075 203 203 GLY CA C 45.631 . 1 2076 203 203 GLY N N 108.750 . 1 2077 204 204 ARG H H 8.355 . 1 2078 204 204 ARG HA H 4.380 . 1 2079 204 204 ARG C C 178.021 . 1 2080 204 204 ARG CA C 56.304 . 1 2081 204 204 ARG CB C 30.947 . 1 2082 204 204 ARG N N 120.747 . 1 2083 205 205 GLY H H 8.575 . 1 2084 205 205 GLY HA2 H 3.957 . 1 2085 205 205 GLY HA3 H 3.957 . 1 2086 205 205 GLY C C 174.868 . 1 2087 205 205 GLY CA C 45.349 . 1 2088 205 205 GLY N N 109.833 . 1 2089 206 206 LYS H H 8.153 . 1 2090 206 206 LYS HA H 4.306 . 1 2091 206 206 LYS HB2 H 1.722 . 2 2092 206 206 LYS HB3 H 1.815 . 2 2093 206 206 LYS HG2 H 1.390 . 2 2094 206 206 LYS HG3 H 1.410 . 2 2095 206 206 LYS HE2 H 3.008 . 1 2096 206 206 LYS HE3 H 3.008 . 1 2097 206 206 LYS C C 176.668 . 1 2098 206 206 LYS CA C 56.240 . 1 2099 206 206 LYS CB C 33.082 . 1 2100 206 206 LYS CG C 24.590 . 1 2101 206 206 LYS CD C 28.650 . 1 2102 206 206 LYS CE C 42.130 . 1 2103 206 206 LYS N N 121.170 . 1 2104 207 207 HIS H H 8.043 . 1 2105 207 207 HIS HA H 4.470 . 1 2106 207 207 HIS HB2 H 3.046 . 2 2107 207 207 HIS HB3 H 3.204 . 2 2108 207 207 HIS C C 180.376 . 1 2109 207 207 HIS CA C 57.000 . 1 2110 207 207 HIS CB C 30.802 . 1 2111 207 207 HIS N N 125.501 . 1 stop_ save_