data_15615 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the F0F1 double domain (residues 1-202) of the Talin FERM domain ; _BMRB_accession_number 15615 _BMRB_flat_file_name bmr15615.str _Entry_type original _Submission_date 2008-01-04 _Accession_date 2008-01-04 _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 Goult Benjamin T. . 2 Elliott Paul R. . 3 Critchley David R. . 4 Barsukov Igor L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1104 "13C chemical shifts" 791 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-22 update BMRB 'update related entry loop' 2010-04-16 update BMRB 'add related PDB ID' 2010-02-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15457 'domain, 1655-1822' 15458 'F0 domain (residues 1-85)' 15616 F1 15625 'Residues 1815-1973' 16930 'F2 domain (residues 196-309)' 16932 'F2F3 domain (residues 196-405)' 16959 'F1F2 double domain (residues 86-303)' 17070 'domain C' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The NMR Structure of the F0F1 double domain (Residues 1-202) from the talin FERM domain' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Elliott Paul R. . 3 Roberts Gordon C.K. . 4 Critchley David R. . 5 Barsukov Igor L. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword CYTOSKELETON F0 F1 FERM NMR Talin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name F0F1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label F0F1 $F0F1 stop_ _System_molecular_weight 24194.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_F0F1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F0F1 _Molecular_mass 24194.9 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 208 _Mol_residue_sequence ; GIDPFTMVALSLKISIGNVV KTMQFEPSTMVYDACRMIRE RIPEALAGPPNDFGLFLSDD DPKKGIWLEAGKALDYYMLR NGDTMEYRKKQRPLKIRMLD GTVKTIMVDDSKTVTDMLMT ICARIGITNHDEYSLVRELM EEKKDEGTGTLRKDKTLLRD EKKMEKLKQKLHTDDELNWL DHGRTLREQGVEEHETLLLR RKFFYSDQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 ILE 3 -3 ASP 4 -2 PRO 5 -1 PHE 6 0 THR 7 1 MET 8 2 VAL 9 3 ALA 10 4 LEU 11 5 SER 12 6 LEU 13 7 LYS 14 8 ILE 15 9 SER 16 10 ILE 17 11 GLY 18 12 ASN 19 13 VAL 20 14 VAL 21 15 LYS 22 16 THR 23 17 MET 24 18 GLN 25 19 PHE 26 20 GLU 27 21 PRO 28 22 SER 29 23 THR 30 24 MET 31 25 VAL 32 26 TYR 33 27 ASP 34 28 ALA 35 29 CYS 36 30 ARG 37 31 MET 38 32 ILE 39 33 ARG 40 34 GLU 41 35 ARG 42 36 ILE 43 37 PRO 44 38 GLU 45 39 ALA 46 40 LEU 47 41 ALA 48 42 GLY 49 43 PRO 50 44 PRO 51 45 ASN 52 46 ASP 53 47 PHE 54 48 GLY 55 49 LEU 56 50 PHE 57 51 LEU 58 52 SER 59 53 ASP 60 54 ASP 61 55 ASP 62 56 PRO 63 57 LYS 64 58 LYS 65 59 GLY 66 60 ILE 67 61 TRP 68 62 LEU 69 63 GLU 70 64 ALA 71 65 GLY 72 66 LYS 73 67 ALA 74 68 LEU 75 69 ASP 76 70 TYR 77 71 TYR 78 72 MET 79 73 LEU 80 74 ARG 81 75 ASN 82 76 GLY 83 77 ASP 84 78 THR 85 79 MET 86 80 GLU 87 81 TYR 88 82 ARG 89 83 LYS 90 84 LYS 91 85 GLN 92 86 ARG 93 87 PRO 94 88 LEU 95 89 LYS 96 90 ILE 97 91 ARG 98 92 MET 99 93 LEU 100 94 ASP 101 95 GLY 102 96 THR 103 97 VAL 104 98 LYS 105 99 THR 106 100 ILE 107 101 MET 108 102 VAL 109 103 ASP 110 104 ASP 111 105 SER 112 106 LYS 113 107 THR 114 108 VAL 115 109 THR 116 110 ASP 117 111 MET 118 112 LEU 119 113 MET 120 114 THR 121 115 ILE 122 116 CYS 123 117 ALA 124 118 ARG 125 119 ILE 126 120 GLY 127 121 ILE 128 122 THR 129 123 ASN 130 124 HIS 131 125 ASP 132 126 GLU 133 127 TYR 134 128 SER 135 129 LEU 136 130 VAL 137 131 ARG 138 132 GLU 139 133 LEU 140 134 MET 141 135 GLU 142 136 GLU 143 137 LYS 144 138 LYS 145 139 ASP 146 140 GLU 147 141 GLY 148 142 THR 149 143 GLY 150 144 THR 151 145 LEU 152 146 ARG 153 147 LYS 154 148 ASP 155 149 LYS 156 150 THR 157 151 LEU 158 152 LEU 159 153 ARG 160 154 ASP 161 155 GLU 162 156 LYS 163 157 LYS 164 158 MET 165 159 GLU 166 160 LYS 167 161 LEU 168 162 LYS 169 163 GLN 170 164 LYS 171 165 LEU 172 166 HIS 173 167 THR 174 168 ASP 175 169 ASP 176 170 GLU 177 171 LEU 178 172 ASN 179 173 TRP 180 174 LEU 181 175 ASP 182 176 HIS 183 177 GLY 184 178 ARG 185 179 THR 186 180 LEU 187 181 ARG 188 182 GLU 189 183 GLN 190 184 GLY 191 185 VAL 192 186 GLU 193 187 GLU 194 188 HIS 195 189 GLU 196 190 THR 197 191 LEU 198 192 LEU 199 193 LEU 200 194 ARG 201 195 ARG 202 196 LYS 203 197 PHE 204 198 PHE 205 199 TYR 206 200 SER 207 201 ASP 208 202 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15616 F1 56.25 128 100.00 100.00 6.14e-75 PDB 2KC2 "Nmr Structure Of The F1 Domain (Residues 86-202) Of The Talin" 56.25 128 100.00 100.00 6.14e-75 DBJ BAA82979 "KIAA1027 protein [Homo sapiens]" 97.60 2550 97.54 99.01 3.48e-130 DBJ BAC65702 "mKIAA1027 protein [Mus musculus]" 97.60 2564 100.00 100.00 1.59e-134 DBJ BAE27781 "unnamed protein product [Mus musculus]" 97.12 2541 100.00 100.00 1.05e-133 DBJ BAG09941 "talin-1 [synthetic construct]" 97.12 2541 97.52 99.01 1.57e-129 EMBL CAA39588 "talin [Mus musculus]" 97.12 2541 100.00 100.00 8.74e-134 GB AAD13152 "talin [Homo sapiens]" 97.12 2541 97.52 99.01 1.73e-129 GB AAF23322 "talin [Homo sapiens]" 97.12 2541 97.52 99.01 1.41e-129 GB AAF27330 "talin [Homo sapiens]" 97.12 2540 97.52 99.01 1.57e-129 GB AAH42923 "Talin 1 [Homo sapiens]" 97.12 2541 97.52 99.01 1.36e-129 GB AAI50811 "Talin 1 [Mus musculus]" 97.12 2541 100.00 100.00 1.05e-133 PRF 1617167A talin 97.12 2541 100.00 100.00 8.74e-134 REF NP_001034114 "talin-1 [Rattus norvegicus]" 97.12 2541 99.01 100.00 8.15e-133 REF NP_006280 "talin-1 [Homo sapiens]" 97.12 2541 97.52 99.01 1.57e-129 REF NP_035732 "talin-1 [Mus musculus]" 97.12 2541 100.00 100.00 1.05e-133 REF XP_001084941 "PREDICTED: talin-1 [Macaca mulatta]" 97.12 2428 97.52 99.01 1.81e-129 REF XP_001504543 "PREDICTED: talin-1 isoform X1 [Equus caballus]" 97.12 2541 97.03 98.51 8.32e-129 SP P26039 "RecName: Full=Talin-1" 97.12 2541 100.00 100.00 1.05e-133 SP Q9Y490 "RecName: Full=Talin-1" 97.12 2541 97.52 99.01 1.57e-129 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $F0F1 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_name $F0F1 'recombinant technology' . Escherichia coli BL21(DE3) PET-151 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F0F1 1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_15n _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F0F1 1 mM '[U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_double _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F0F1 1 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 1.015 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15n save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $double save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $double save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15n save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $15n stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name F0F1 _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 GLY HA2 H 3.865 0.015 1 2 1 1 GLY HA3 H 3.865 0.015 1 3 1 1 GLY CA C 44.700 0.25 1 4 2 2 ILE HA H 4.120 0.015 1 5 2 2 ILE HB H 1.728 0.015 1 6 2 2 ILE HD1 H 0.788 0.015 1 7 2 2 ILE HG12 H 1.074 0.015 1 8 2 2 ILE HG13 H 1.347 0.015 1 9 2 2 ILE HG2 H 0.763 0.015 1 10 2 2 ILE CA C 60.222 0.25 1 11 2 2 ILE CB C 38.274 0.25 1 12 2 2 ILE CD1 C 16.758 0.25 1 13 2 2 ILE CG1 C 26.368 0.25 1 14 2 2 ILE CG2 C 12.313 0.25 1 15 3 3 ASP H H 8.373 0.015 1 16 3 3 ASP HA H 4.798 0.015 1 17 3 3 ASP HB2 H 2.470 0.015 1 18 3 3 ASP HB3 H 2.670 0.015 1 19 3 3 ASP CA C 51.417 0.25 1 20 3 3 ASP CB C 40.592 0.25 1 21 3 3 ASP N N 126.360 0.25 1 22 4 4 PRO HA H 4.254 0.015 1 23 4 4 PRO HB2 H 1.602 0.015 1 24 4 4 PRO HB3 H 2.092 0.015 1 25 4 4 PRO HD2 H 3.676 0.015 1 26 4 4 PRO HD3 H 3.795 0.015 1 27 4 4 PRO HG2 H 1.704 0.015 1 28 4 4 PRO HG3 H 1.845 0.015 1 29 4 4 PRO CA C 62.827 0.25 1 30 4 4 PRO CB C 31.217 0.25 1 31 4 4 PRO CD C 50.078 0.25 1 32 4 4 PRO CG C 26.220 0.25 1 33 5 5 PHE H H 8.160 0.015 1 34 5 5 PHE HA H 4.532 0.015 1 35 5 5 PHE HB2 H 3.106 0.015 1 36 5 5 PHE HB3 H 2.986 0.015 1 37 5 5 PHE HD1 H 7.217 0.015 3 38 5 5 PHE HD2 H 7.217 0.015 3 39 5 5 PHE HE1 H 7.256 0.015 3 40 5 5 PHE HE2 H 7.256 0.015 3 41 5 5 PHE CA C 57.536 0.25 1 42 5 5 PHE CB C 38.378 0.25 1 43 5 5 PHE CD1 C 131.705 0.25 3 44 5 5 PHE CD2 C 131.705 0.25 3 45 5 5 PHE CE1 C 131.558 0.25 3 46 5 5 PHE CE2 C 131.558 0.25 3 47 5 5 PHE N N 118.670 0.25 1 48 6 6 THR H H 8.040 0.015 1 49 6 6 THR HA H 4.201 0.015 1 50 6 6 THR HB H 4.138 0.015 1 51 6 6 THR HG2 H 1.137 0.015 1 52 6 6 THR CA C 61.540 0.25 1 53 6 6 THR CB C 69.207 0.25 1 54 6 6 THR CG2 C 20.738 0.25 1 55 6 6 THR N N 114.725 0.25 1 56 7 7 MET H H 8.153 0.015 1 57 7 7 MET HA H 4.401 0.015 1 58 7 7 MET HB2 H 2.045 0.015 1 59 7 7 MET HB3 H 1.962 0.015 1 60 7 7 MET HE H 1.899 0.015 1 61 7 7 MET HG2 H 2.464 0.015 1 62 7 7 MET HG3 H 2.533 0.015 1 63 7 7 MET C C 176.096 0.25 1 64 7 7 MET CA C 55.080 0.25 1 65 7 7 MET CB C 32.180 0.25 1 66 7 7 MET CE C 16.269 0.25 1 67 7 7 MET CG C 31.290 0.25 1 68 7 7 MET N N 122.089 0.25 1 69 8 8 VAL H H 7.977 0.015 1 70 8 8 VAL HA H 4.111 0.015 1 71 8 8 VAL HB H 2.059 0.015 1 72 8 8 VAL HG1 H 0.868 0.015 1 73 8 8 VAL HG2 H 0.864 0.015 1 74 8 8 VAL C C 175.147 0.25 1 75 8 8 VAL CA C 61.201 0.25 1 76 8 8 VAL CB C 31.904 0.25 1 77 8 8 VAL CG1 C 20.572 0.25 1 78 8 8 VAL CG2 C 19.517 0.25 1 79 8 8 VAL N N 119.895 0.25 1 80 9 9 ALA H H 7.855 0.015 1 81 9 9 ALA HA H 4.282 0.015 1 82 9 9 ALA HB H 1.105 0.015 1 83 9 9 ALA C C 176.726 0.25 1 84 9 9 ALA CA C 51.431 0.25 1 85 9 9 ALA CB C 19.295 0.25 1 86 9 9 ALA N N 124.911 0.25 1 87 10 10 LEU H H 8.731 0.015 1 88 10 10 LEU HA H 4.709 0.015 1 89 10 10 LEU HB2 H 1.582 0.015 1 90 10 10 LEU HB3 H 1.292 0.015 1 91 10 10 LEU HD1 H 0.696 0.015 1 92 10 10 LEU HD2 H 0.719 0.015 1 93 10 10 LEU HG H 1.479 0.015 1 94 10 10 LEU C C 176.191 0.25 1 95 10 10 LEU CA C 52.967 0.25 1 96 10 10 LEU CB C 43.866 0.25 1 97 10 10 LEU CD1 C 24.161 0.25 1 98 10 10 LEU CD2 C 23.744 0.25 1 99 10 10 LEU CG C 26.479 0.25 1 100 10 10 LEU N N 122.238 0.25 1 101 11 11 SER H H 8.655 0.015 1 102 11 11 SER HA H 4.893 0.015 1 103 11 11 SER HB2 H 3.550 0.015 1 104 11 11 SER HB3 H 3.600 0.015 1 105 11 11 SER C C 173.738 0.25 1 106 11 11 SER CA C 56.406 0.25 1 107 11 11 SER CB C 62.313 0.25 1 108 11 11 SER N N 119.987 0.25 1 109 12 12 LEU H H 8.892 0.015 1 110 12 12 LEU HA H 4.982 0.015 1 111 12 12 LEU HB2 H 1.331 0.015 1 112 12 12 LEU HB3 H 1.640 0.015 1 113 12 12 LEU HD1 H 0.709 0.015 1 114 12 12 LEU HD2 H 0.881 0.015 1 115 12 12 LEU C C 175.249 0.25 1 116 12 12 LEU CA C 52.031 0.25 1 117 12 12 LEU CB C 45.171 0.25 1 118 12 12 LEU CD1 C 25.533 0.25 1 119 12 12 LEU CD2 C 24.238 0.25 1 120 12 12 LEU N N 126.384 0.25 1 121 13 13 LYS H H 8.677 0.015 1 122 13 13 LYS HA H 4.500 0.015 1 123 13 13 LYS HB2 H 1.820 0.015 1 124 13 13 LYS HB3 H 1.337 0.015 1 125 13 13 LYS HD2 H 1.460 0.015 1 126 13 13 LYS HD3 H 1.460 0.015 1 127 13 13 LYS HE2 H 2.798 0.015 1 128 13 13 LYS HE3 H 2.798 0.015 1 129 13 13 LYS HG2 H 1.198 0.015 1 130 13 13 LYS HG3 H 1.141 0.015 1 131 13 13 LYS C C 174.677 0.25 1 132 13 13 LYS CA C 55.280 0.25 1 133 13 13 LYS CB C 32.276 0.25 1 134 13 13 LYS CD C 28.642 0.25 1 135 13 13 LYS CE C 41.388 0.25 1 136 13 13 LYS CG C 24.724 0.25 1 137 13 13 LYS N N 121.121 0.25 1 138 14 14 ILE H H 9.032 0.015 1 139 14 14 ILE HA H 4.912 0.015 1 140 14 14 ILE HB H 2.079 0.015 1 141 14 14 ILE HD1 H 0.719 0.015 1 142 14 14 ILE HG12 H 1.411 0.015 1 143 14 14 ILE HG13 H 1.661 0.015 1 144 14 14 ILE HG2 H 0.743 0.015 1 145 14 14 ILE C C 175.479 0.25 1 146 14 14 ILE CA C 56.671 0.25 1 147 14 14 ILE CB C 36.370 0.25 1 148 14 14 ILE CD1 C 10.481 0.25 1 149 14 14 ILE CG1 C 26.113 0.25 1 150 14 14 ILE CG2 C 16.617 0.25 1 151 14 14 ILE N N 124.269 0.25 1 152 15 15 SER H H 8.854 0.015 1 153 15 15 SER HA H 5.295 0.015 1 154 15 15 SER HB2 H 3.577 0.015 1 155 15 15 SER HB3 H 3.660 0.015 1 156 15 15 SER C C 174.271 0.25 1 157 15 15 SER CA C 55.427 0.25 1 158 15 15 SER CB C 63.866 0.25 1 159 15 15 SER N N 121.649 0.25 1 160 16 16 ILE H H 8.889 0.015 1 161 16 16 ILE HA H 4.624 0.015 1 162 16 16 ILE HB H 1.820 0.015 1 163 16 16 ILE HD1 H 0.688 0.015 1 164 16 16 ILE HG12 H 1.187 0.015 1 165 16 16 ILE HG13 H 1.585 0.015 1 166 16 16 ILE HG2 H 0.875 0.015 1 167 16 16 ILE C C 176.527 0.25 1 168 16 16 ILE CA C 59.662 0.25 1 169 16 16 ILE CB C 38.844 0.25 1 170 16 16 ILE CD1 C 14.670 0.25 1 171 16 16 ILE CG1 C 27.367 0.25 1 172 16 16 ILE CG2 C 17.208 0.25 1 173 16 16 ILE N N 126.712 0.25 1 174 17 17 GLY H H 9.104 0.015 1 175 17 17 GLY HA2 H 3.960 0.015 1 176 17 17 GLY HA3 H 3.672 0.015 1 177 17 17 GLY CA C 46.789 0.25 1 178 17 17 GLY N N 117.655 0.25 1 179 18 18 ASN H H 8.768 0.015 1 180 18 18 ASN HA H 4.646 0.015 1 181 18 18 ASN HB2 H 2.849 0.015 1 182 18 18 ASN HB3 H 2.849 0.015 1 183 18 18 ASN HD21 H 7.502 0.015 1 184 18 18 ASN HD22 H 6.820 0.015 1 185 18 18 ASN CA C 52.583 0.25 1 186 18 18 ASN CB C 37.847 0.25 1 187 18 18 ASN N N 123.746 0.25 1 188 18 18 ASN ND2 N 112.148 0.25 1 189 19 19 VAL H H 8.085 0.015 1 190 19 19 VAL HA H 4.228 0.015 1 191 19 19 VAL HB H 2.182 0.015 1 192 19 19 VAL HG1 H 0.915 0.015 1 193 19 19 VAL HG2 H 0.823 0.015 1 194 19 19 VAL C C 174.611 0.25 1 195 19 19 VAL CA C 61.216 0.25 1 196 19 19 VAL CB C 33.025 0.25 1 197 19 19 VAL CG1 C 20.230 0.25 1 198 19 19 VAL CG2 C 20.273 0.25 1 199 19 19 VAL N N 121.017 0.25 1 200 20 20 VAL H H 8.206 0.015 1 201 20 20 VAL HA H 4.988 0.015 1 202 20 20 VAL HB H 1.790 0.015 1 203 20 20 VAL HG1 H 0.780 0.015 1 204 20 20 VAL HG2 H 0.711 0.015 1 205 20 20 VAL C C 176.030 0.25 1 206 20 20 VAL CA C 60.274 0.25 1 207 20 20 VAL CB C 33.220 0.25 1 208 20 20 VAL CG1 C 20.355 0.25 1 209 20 20 VAL CG2 C 20.713 0.25 1 210 20 20 VAL N N 124.993 0.25 1 211 21 21 LYS H H 8.896 0.015 1 212 21 21 LYS HA H 4.683 0.015 1 213 21 21 LYS HB2 H 1.475 0.015 1 214 21 21 LYS HB3 H 1.712 0.015 1 215 21 21 LYS HD2 H 1.575 0.015 1 216 21 21 LYS HD3 H 1.678 0.015 1 217 21 21 LYS HE2 H 2.799 0.015 1 218 21 21 LYS HE3 H 2.799 0.015 1 219 21 21 LYS HG2 H 1.307 0.015 1 220 21 21 LYS HG3 H 1.244 0.015 1 221 21 21 LYS C C 175.423 0.25 1 222 21 21 LYS CA C 52.917 0.25 1 223 21 21 LYS CB C 35.298 0.25 1 224 21 21 LYS CD C 28.007 0.25 1 225 21 21 LYS CE C 41.394 0.25 1 226 21 21 LYS CG C 24.050 0.25 1 227 21 21 LYS N N 127.274 0.25 1 228 22 22 THR H H 8.593 0.015 1 229 22 22 THR HA H 4.958 0.015 1 230 22 22 THR HB H 3.869 0.015 1 231 22 22 THR HG2 H 0.932 0.015 1 232 22 22 THR C C 174.596 0.25 1 233 22 22 THR CA C 61.967 0.25 1 234 22 22 THR CB C 68.313 0.25 1 235 22 22 THR CG2 C 20.869 0.25 1 236 22 22 THR N N 120.172 0.25 1 237 23 23 MET H H 9.138 0.015 1 238 23 23 MET HA H 4.383 0.015 1 239 23 23 MET HB2 H 1.475 0.015 1 240 23 23 MET HB3 H 1.475 0.015 1 241 23 23 MET HE H 1.684 0.015 1 242 23 23 MET HG2 H 2.129 0.015 1 243 23 23 MET HG3 H 2.075 0.015 1 244 23 23 MET C C 172.436 0.25 1 245 23 23 MET CA C 54.021 0.25 1 246 23 23 MET CB C 36.991 0.25 1 247 23 23 MET CE C 15.806 0.25 1 248 23 23 MET CG C 31.593 0.25 1 249 23 23 MET N N 126.639 0.25 1 250 24 24 GLN H H 7.660 0.015 1 251 24 24 GLN HA H 5.266 0.015 1 252 24 24 GLN HB2 H 1.578 0.015 1 253 24 24 GLN HB3 H 1.437 0.015 1 254 24 24 GLN HE21 H 7.209 0.015 1 255 24 24 GLN HE22 H 6.674 0.015 1 256 24 24 GLN HG2 H 2.023 0.015 1 257 24 24 GLN HG3 H 2.023 0.015 1 258 24 24 GLN C C 175.351 0.25 1 259 24 24 GLN CA C 53.583 0.25 1 260 24 24 GLN CB C 30.262 0.25 1 261 24 24 GLN CG C 33.878 0.25 1 262 24 24 GLN N N 118.595 0.25 1 263 24 24 GLN NE2 N 111.533 0.25 1 264 25 25 PHE H H 8.836 0.015 1 265 25 25 PHE HA H 4.848 0.015 1 266 25 25 PHE HB2 H 2.279 0.015 1 267 25 25 PHE HB3 H 2.930 0.015 1 268 25 25 PHE HD1 H 7.061 0.015 3 269 25 25 PHE HD2 H 7.061 0.015 3 270 25 25 PHE HE1 H 7.122 0.015 3 271 25 25 PHE HE2 H 7.122 0.015 3 272 25 25 PHE HZ H 6.962 0.015 1 273 25 25 PHE C C 175.972 0.25 1 274 25 25 PHE CA C 55.173 0.25 1 275 25 25 PHE CB C 43.234 0.25 1 276 25 25 PHE CD1 C 132.301 0.25 3 277 25 25 PHE CD2 C 132.301 0.25 3 278 25 25 PHE CE1 C 130.429 0.25 3 279 25 25 PHE CE2 C 130.429 0.25 3 280 25 25 PHE CZ C 128.601 0.25 1 281 25 25 PHE N N 118.542 0.25 1 282 26 26 GLU H H 9.211 0.015 1 283 26 26 GLU HA H 4.655 0.015 1 284 26 26 GLU HB2 H 1.893 0.015 1 285 26 26 GLU HB3 H 2.120 0.015 1 286 26 26 GLU HG2 H 2.353 0.015 1 287 26 26 GLU HG3 H 2.361 0.015 1 288 26 26 GLU CA C 54.825 0.25 1 289 26 26 GLU CB C 27.875 0.25 1 290 26 26 GLU CG C 35.910 0.25 1 291 26 26 GLU N N 123.538 0.25 1 292 27 27 PRO HA H 4.100 0.015 1 293 27 27 PRO HB2 H 2.096 0.015 1 294 27 27 PRO HB3 H 2.341 0.015 1 295 27 27 PRO HD2 H 3.880 0.015 1 296 27 27 PRO HD3 H 3.815 0.015 1 297 27 27 PRO HG2 H 2.150 0.015 1 298 27 27 PRO HG3 H 1.939 0.015 1 299 27 27 PRO C C 174.393 0.25 1 300 27 27 PRO CA C 65.077 0.25 1 301 27 27 PRO CB C 30.905 0.25 1 302 27 27 PRO CD C 50.311 0.25 1 303 27 27 PRO CG C 27.190 0.25 1 304 28 28 SER H H 7.381 0.015 1 305 28 28 SER HA H 4.320 0.015 1 306 28 28 SER HB2 H 3.796 0.015 1 307 28 28 SER HB3 H 4.038 0.015 1 308 28 28 SER C C 174.605 0.25 1 309 28 28 SER CA C 57.060 0.25 1 310 28 28 SER CB C 62.476 0.25 1 311 28 28 SER N N 105.765 0.25 1 312 29 29 THR H H 7.716 0.015 1 313 29 29 THR HA H 3.896 0.015 1 314 29 29 THR HB H 3.938 0.015 1 315 29 29 THR HG2 H 1.366 0.015 1 316 29 29 THR C C 173.762 0.25 1 317 29 29 THR CA C 63.804 0.25 1 318 29 29 THR CB C 69.396 0.25 1 319 29 29 THR CG2 C 20.935 0.25 1 320 29 29 THR N N 120.352 0.25 1 321 30 30 MET H H 9.134 0.015 1 322 30 30 MET HA H 4.704 0.015 1 323 30 30 MET HB2 H 1.741 0.015 1 324 30 30 MET HB3 H 1.741 0.015 1 325 30 30 MET HE H 2.021 0.015 1 326 30 30 MET HG2 H 2.605 0.015 1 327 30 30 MET HG3 H 2.729 0.015 1 328 30 30 MET C C 178.910 0.25 1 329 30 30 MET CA C 53.526 0.25 1 330 30 30 MET CB C 31.238 0.25 1 331 30 30 MET CE C 16.271 0.25 1 332 30 30 MET CG C 31.473 0.25 1 333 30 30 MET N N 126.038 0.25 1 334 31 31 VAL H H 9.461 0.015 1 335 31 31 VAL HA H 3.286 0.015 1 336 31 31 VAL HB H 2.750 0.015 1 337 31 31 VAL HG1 H 0.755 0.015 1 338 31 31 VAL HG2 H 0.984 0.015 1 339 31 31 VAL C C 179.141 0.25 1 340 31 31 VAL CA C 67.290 0.25 1 341 31 31 VAL CB C 30.164 0.25 1 342 31 31 VAL CG1 C 20.873 0.25 1 343 31 31 VAL CG2 C 24.131 0.25 1 344 31 31 VAL N N 127.767 0.25 1 345 32 32 TYR H H 8.703 0.015 1 346 32 32 TYR HA H 4.378 0.015 1 347 32 32 TYR HB2 H 2.830 0.015 1 348 32 32 TYR HB3 H 3.191 0.015 1 349 32 32 TYR HD1 H 7.072 0.015 3 350 32 32 TYR HD2 H 7.072 0.015 3 351 32 32 TYR HE1 H 6.785 0.015 3 352 32 32 TYR HE2 H 6.785 0.015 3 353 32 32 TYR C C 178.291 0.25 1 354 32 32 TYR CA C 60.408 0.25 1 355 32 32 TYR CB C 37.468 0.25 1 356 32 32 TYR CD1 C 134.157 0.25 3 357 32 32 TYR CD2 C 134.157 0.25 3 358 32 32 TYR CE1 C 118.307 0.25 3 359 32 32 TYR CE2 C 118.307 0.25 3 360 32 32 TYR N N 116.424 0.25 1 361 33 33 ASP H H 6.721 0.015 1 362 33 33 ASP HA H 4.626 0.015 1 363 33 33 ASP HB2 H 2.605 0.015 1 364 33 33 ASP HB3 H 2.605 0.015 1 365 33 33 ASP C C 177.773 0.25 1 366 33 33 ASP CA C 56.196 0.25 1 367 33 33 ASP CB C 40.426 0.25 1 368 33 33 ASP N N 122.134 0.25 1 369 34 34 ALA H H 8.612 0.015 1 370 34 34 ALA HA H 4.238 0.015 1 371 34 34 ALA HB H 1.012 0.015 1 372 34 34 ALA C C 179.752 0.25 1 373 34 34 ALA CA C 54.556 0.25 1 374 34 34 ALA CB C 16.313 0.25 1 375 34 34 ALA N N 124.749 0.25 1 376 35 35 CYS H H 8.220 0.015 1 377 35 35 CYS HA H 3.928 0.015 1 378 35 35 CYS HB2 H 2.981 0.015 1 379 35 35 CYS HB3 H 3.208 0.015 1 380 35 35 CYS C C 175.757 0.25 1 381 35 35 CYS CA C 64.128 0.25 1 382 35 35 CYS CB C 26.137 0.25 1 383 35 35 CYS N N 113.623 0.25 1 384 36 36 ARG H H 7.179 0.015 1 385 36 36 ARG HA H 3.815 0.015 1 386 36 36 ARG HB2 H 2.098 0.015 1 387 36 36 ARG HB3 H 1.865 0.015 1 388 36 36 ARG HD2 H 3.147 0.015 1 389 36 36 ARG HD3 H 3.229 0.015 1 390 36 36 ARG HE H 7.347 0.015 1 391 36 36 ARG HG2 H 1.465 0.015 1 392 36 36 ARG HG3 H 1.665 0.015 1 393 36 36 ARG C C 178.613 0.25 1 394 36 36 ARG CA C 59.253 0.25 1 395 36 36 ARG CB C 28.512 0.25 1 396 36 36 ARG CD C 42.388 0.25 1 397 36 36 ARG CG C 26.200 0.25 1 398 36 36 ARG N N 119.975 0.25 1 399 36 36 ARG NE N 82.788 0.25 1 400 37 37 MET H H 8.332 0.015 1 401 37 37 MET HA H 3.873 0.015 1 402 37 37 MET HB2 H 1.989 0.015 1 403 37 37 MET HB3 H 2.345 0.015 1 404 37 37 MET HE H 2.049 0.015 1 405 37 37 MET HG2 H 2.723 0.015 1 406 37 37 MET HG3 H 2.523 0.015 1 407 37 37 MET C C 178.870 0.25 1 408 37 37 MET CA C 58.697 0.25 1 409 37 37 MET CB C 32.817 0.25 1 410 37 37 MET CE C 16.738 0.25 1 411 37 37 MET CG C 31.741 0.25 1 412 37 37 MET N N 118.460 0.25 1 413 38 38 ILE H H 8.084 0.015 1 414 38 38 ILE HA H 3.226 0.015 1 415 38 38 ILE HB H 1.568 0.015 1 416 38 38 ILE HD1 H 0.111 0.015 1 417 38 38 ILE HG12 H 0.971 0.015 1 418 38 38 ILE HG13 H 0.971 0.015 1 419 38 38 ILE HG2 H 0.739 0.015 1 420 38 38 ILE C C 176.780 0.25 1 421 38 38 ILE CA C 65.440 0.25 1 422 38 38 ILE CB C 37.568 0.25 1 423 38 38 ILE CD1 C 15.493 0.25 1 424 38 38 ILE CG1 C 29.817 0.25 1 425 38 38 ILE CG2 C 15.309 0.25 1 426 38 38 ILE N N 120.572 0.25 1 427 39 39 ARG H H 7.463 0.015 1 428 39 39 ARG HA H 3.557 0.015 1 429 39 39 ARG HB2 H 1.751 0.015 1 430 39 39 ARG HB3 H 1.712 0.015 1 431 39 39 ARG HD2 H 3.036 0.015 1 432 39 39 ARG HD3 H 3.036 0.015 1 433 39 39 ARG HE H 7.667 0.015 1 434 39 39 ARG HG2 H 1.174 0.015 1 435 39 39 ARG HG3 H 1.140 0.015 1 436 39 39 ARG C C 177.848 0.25 1 437 39 39 ARG CA C 58.677 0.25 1 438 39 39 ARG CB C 29.655 0.25 1 439 39 39 ARG CD C 42.822 0.25 1 440 39 39 ARG CG C 28.060 0.25 1 441 39 39 ARG N N 117.000 0.25 1 442 39 39 ARG NE N 84.136 0.25 1 443 40 40 GLU H H 7.631 0.015 1 444 40 40 GLU HA H 3.954 0.015 1 445 40 40 GLU HB2 H 1.949 0.015 1 446 40 40 GLU HB3 H 2.028 0.015 1 447 40 40 GLU HG2 H 2.167 0.015 1 448 40 40 GLU HG3 H 2.435 0.015 1 449 40 40 GLU C C 178.301 0.25 1 450 40 40 GLU CA C 57.307 0.25 1 451 40 40 GLU CB C 29.402 0.25 1 452 40 40 GLU CG C 35.929 0.25 1 453 40 40 GLU N N 115.126 0.25 1 454 41 41 ARG H H 7.521 0.015 1 455 41 41 ARG HA H 4.323 0.015 1 456 41 41 ARG HB2 H 1.879 0.015 1 457 41 41 ARG HB3 H 1.677 0.015 1 458 41 41 ARG HD2 H 3.010 0.015 1 459 41 41 ARG HD3 H 3.118 0.015 1 460 41 41 ARG HG2 H 1.652 0.015 1 461 41 41 ARG HG3 H 1.652 0.015 1 462 41 41 ARG C C 176.159 0.25 1 463 41 41 ARG CA C 55.599 0.25 1 464 41 41 ARG CB C 31.411 0.25 1 465 41 41 ARG CD C 42.266 0.25 1 466 41 41 ARG CG C 26.404 0.25 1 467 41 41 ARG N N 116.289 0.25 1 468 42 42 ILE H H 7.972 0.015 1 469 42 42 ILE HA H 4.501 0.015 1 470 42 42 ILE HB H 1.863 0.015 1 471 42 42 ILE HD1 H 0.664 0.015 1 472 42 42 ILE HG12 H 0.896 0.015 1 473 42 42 ILE HG13 H 1.472 0.015 1 474 42 42 ILE HG2 H 0.835 0.015 1 475 42 42 ILE CA C 57.826 0.25 1 476 42 42 ILE CB C 37.306 0.25 1 477 42 42 ILE CD1 C 13.023 0.25 1 478 42 42 ILE CG1 C 25.782 0.25 1 479 42 42 ILE CG2 C 17.465 0.25 1 480 42 42 ILE N N 120.019 0.25 1 481 43 43 PRO HA H 4.152 0.015 1 482 43 43 PRO HB2 H 1.809 0.015 1 483 43 43 PRO HB3 H 2.255 0.015 1 484 43 43 PRO HD2 H 3.745 0.015 1 485 43 43 PRO HD3 H 3.745 0.015 1 486 43 43 PRO HG2 H 2.023 0.015 1 487 43 43 PRO HG3 H 1.907 0.015 1 488 43 43 PRO C C 179.135 0.25 1 489 43 43 PRO CA C 64.398 0.25 1 490 43 43 PRO CB C 31.016 0.25 1 491 43 43 PRO CD C 50.129 0.25 1 492 43 43 PRO CG C 26.742 0.25 1 493 44 44 GLU H H 9.458 0.015 1 494 44 44 GLU HA H 3.923 0.015 1 495 44 44 GLU HB2 H 1.799 0.015 1 496 44 44 GLU HB3 H 1.925 0.015 1 497 44 44 GLU HG2 H 2.228 0.015 1 498 44 44 GLU HG3 H 2.424 0.015 1 499 44 44 GLU C C 177.249 0.25 1 500 44 44 GLU CA C 59.095 0.25 1 501 44 44 GLU CB C 27.819 0.25 1 502 44 44 GLU CG C 36.921 0.25 1 503 44 44 GLU N N 118.751 0.25 1 504 45 45 ALA H H 7.996 0.015 1 505 45 45 ALA HA H 4.023 0.015 1 506 45 45 ALA HB H 1.109 0.015 1 507 45 45 ALA C C 177.055 0.25 1 508 45 45 ALA CA C 52.155 0.25 1 509 45 45 ALA CB C 19.109 0.25 1 510 45 45 ALA N N 119.920 0.25 1 511 46 46 LEU H H 7.370 0.015 1 512 46 46 LEU HA H 4.217 0.015 1 513 46 46 LEU HB2 H 1.706 0.015 1 514 46 46 LEU HB3 H 1.541 0.015 1 515 46 46 LEU HD1 H 0.844 0.015 1 516 46 46 LEU HD2 H 0.734 0.015 1 517 46 46 LEU HG H 1.605 0.015 1 518 46 46 LEU C C 177.035 0.25 1 519 46 46 LEU CA C 53.832 0.25 1 520 46 46 LEU CB C 40.000 0.25 1 521 46 46 LEU CD1 C 24.476 0.25 1 522 46 46 LEU CD2 C 22.405 0.25 1 523 46 46 LEU CG C 26.339 0.25 1 524 46 46 LEU N N 117.259 0.25 1 525 47 47 ALA H H 7.363 0.015 1 526 47 47 ALA HA H 4.227 0.015 1 527 47 47 ALA HB H 1.353 0.015 1 528 47 47 ALA C C 177.080 0.25 1 529 47 47 ALA CA C 52.155 0.25 1 530 47 47 ALA CB C 18.679 0.25 1 531 47 47 ALA N N 122.573 0.25 1 532 48 48 GLY H H 7.589 0.015 1 533 48 48 GLY HA2 H 4.253 0.015 1 534 48 48 GLY HA3 H 4.088 0.015 1 535 48 48 GLY CA C 43.799 0.25 1 536 48 48 GLY N N 106.380 0.25 1 537 49 49 PRO HA H 4.705 0.015 1 538 49 49 PRO HB2 H 1.978 0.015 1 539 49 49 PRO HB3 H 2.328 0.015 1 540 49 49 PRO HD2 H 3.678 0.015 1 541 49 49 PRO HD3 H 3.678 0.015 1 542 49 49 PRO HG2 H 1.978 0.015 1 543 49 49 PRO HG3 H 1.952 0.015 1 544 49 49 PRO CA C 61.019 0.25 1 545 49 49 PRO CB C 30.533 0.25 1 546 49 49 PRO CD C 49.229 0.25 1 547 49 49 PRO CG C 26.860 0.25 1 548 50 50 PRO HA H 4.224 0.015 1 549 50 50 PRO HB2 H 2.161 0.015 1 550 50 50 PRO HB3 H 1.997 0.015 1 551 50 50 PRO HD2 H 3.795 0.015 1 552 50 50 PRO HD3 H 3.734 0.015 1 553 50 50 PRO HG2 H 2.083 0.015 1 554 50 50 PRO HG3 H 1.904 0.015 1 555 50 50 PRO C C 178.817 0.25 1 556 50 50 PRO CA C 64.836 0.25 1 557 50 50 PRO CB C 31.222 0.25 1 558 50 50 PRO CD C 49.817 0.25 1 559 50 50 PRO CG C 26.786 0.25 1 560 51 51 ASN H H 8.557 0.015 1 561 51 51 ASN HA H 4.625 0.015 1 562 51 51 ASN HB2 H 2.758 0.015 1 563 51 51 ASN HB3 H 2.758 0.015 1 564 51 51 ASN HD21 H 7.563 0.015 1 565 51 51 ASN HD22 H 6.888 0.015 1 566 51 51 ASN C C 175.757 0.25 1 567 51 51 ASN CA C 53.851 0.25 1 568 51 51 ASN CB C 36.942 0.25 1 569 51 51 ASN N N 112.361 0.25 1 570 51 51 ASN ND2 N 113.562 0.25 1 571 52 52 ASP H H 7.853 0.015 1 572 52 52 ASP HA H 4.475 0.015 1 573 52 52 ASP HB2 H 2.319 0.015 1 574 52 52 ASP HB3 H 2.631 0.015 1 575 52 52 ASP C C 175.461 0.25 1 576 52 52 ASP CA C 54.130 0.25 1 577 52 52 ASP CB C 40.492 0.25 1 578 52 52 ASP N N 118.230 0.25 1 579 53 53 PHE H H 7.492 0.015 1 580 53 53 PHE HA H 4.861 0.015 1 581 53 53 PHE HB2 H 2.561 0.015 1 582 53 53 PHE HB3 H 1.853 0.015 1 583 53 53 PHE HD1 H 6.707 0.015 3 584 53 53 PHE HD2 H 6.707 0.015 3 585 53 53 PHE HE1 H 7.086 0.015 3 586 53 53 PHE HE2 H 7.086 0.015 3 587 53 53 PHE C C 175.065 0.25 1 588 53 53 PHE CA C 56.321 0.25 1 589 53 53 PHE CB C 42.611 0.25 1 590 53 53 PHE CD1 C 132.269 0.25 3 591 53 53 PHE CD2 C 132.269 0.25 3 592 53 53 PHE CE1 C 130.631 0.25 3 593 53 53 PHE CE2 C 130.631 0.25 3 594 53 53 PHE N N 119.212 0.25 1 595 54 54 GLY H H 8.607 0.015 1 596 54 54 GLY HA2 H 3.946 0.015 1 597 54 54 GLY HA3 H 4.450 0.015 1 598 54 54 GLY C C 170.402 0.25 1 599 54 54 GLY CA C 44.044 0.25 1 600 54 54 GLY N N 106.793 0.25 1 601 55 55 LEU H H 9.085 0.015 1 602 55 55 LEU HA H 5.420 0.015 1 603 55 55 LEU HB2 H 1.518 0.015 1 604 55 55 LEU HB3 H 1.277 0.015 1 605 55 55 LEU HD1 H 0.733 0.015 1 606 55 55 LEU HD2 H 0.868 0.015 1 607 55 55 LEU HG H 1.768 0.015 1 608 55 55 LEU C C 174.651 0.25 1 609 55 55 LEU CA C 52.737 0.25 1 610 55 55 LEU CB C 43.802 0.25 1 611 55 55 LEU CD1 C 24.391 0.25 1 612 55 55 LEU CD2 C 22.560 0.25 1 613 55 55 LEU CG C 26.585 0.25 1 614 55 55 LEU N N 119.498 0.25 1 615 56 56 PHE H H 9.135 0.015 1 616 56 56 PHE HA H 4.710 0.015 1 617 56 56 PHE HB2 H 2.438 0.015 1 618 56 56 PHE HB3 H 2.143 0.015 1 619 56 56 PHE HD1 H 5.498 0.015 3 620 56 56 PHE HD2 H 5.498 0.015 3 621 56 56 PHE HE1 H 6.505 0.015 3 622 56 56 PHE HE2 H 6.505 0.015 3 623 56 56 PHE HZ H 6.735 0.015 1 624 56 56 PHE C C 173.741 0.25 1 625 56 56 PHE CA C 54.826 0.25 1 626 56 56 PHE CB C 42.621 0.25 1 627 56 56 PHE CD1 C 131.472 0.25 3 628 56 56 PHE CD2 C 131.472 0.25 3 629 56 56 PHE CE1 C 129.563 0.25 3 630 56 56 PHE CE2 C 129.563 0.25 3 631 56 56 PHE CZ C 128.233 0.25 1 632 56 56 PHE N N 125.233 0.25 1 633 57 57 LEU H H 8.438 0.015 1 634 57 57 LEU HA H 4.417 0.015 1 635 57 57 LEU HB2 H 0.942 0.015 1 636 57 57 LEU HB3 H 1.495 0.015 1 637 57 57 LEU HD1 H 0.776 0.015 1 638 57 57 LEU HD2 H 0.726 0.015 1 639 57 57 LEU HG H 1.303 0.015 1 640 57 57 LEU C C 174.609 0.25 1 641 57 57 LEU CA C 52.430 0.25 1 642 57 57 LEU CB C 42.653 0.25 1 643 57 57 LEU CD1 C 23.550 0.25 1 644 57 57 LEU CD2 C 24.404 0.25 1 645 57 57 LEU CG C 26.119 0.25 1 646 57 57 LEU N N 130.102 0.25 1 647 58 58 SER H H 8.139 0.015 1 648 58 58 SER HA H 3.957 0.015 1 649 58 58 SER HB2 H 3.707 0.015 1 650 58 58 SER HB3 H 3.707 0.015 1 651 58 58 SER C C 172.503 0.25 1 652 58 58 SER CA C 57.311 0.25 1 653 58 58 SER CB C 63.480 0.25 1 654 58 58 SER N N 120.371 0.25 1 655 59 59 ASP H H 8.033 0.015 1 656 59 59 ASP HA H 4.595 0.015 1 657 59 59 ASP HB2 H 2.113 0.015 1 658 59 59 ASP HB3 H 2.612 0.015 1 659 59 59 ASP C C 174.600 0.25 1 660 59 59 ASP CA C 52.303 0.25 1 661 59 59 ASP CB C 45.356 0.25 1 662 59 59 ASP N N 122.368 0.25 1 663 60 60 ASP H H 8.264 0.015 1 664 60 60 ASP HA H 4.164 0.015 1 665 60 60 ASP HB2 H 2.450 0.015 1 666 60 60 ASP HB3 H 2.540 0.015 1 667 60 60 ASP C C 176.894 0.25 1 668 60 60 ASP CA C 56.378 0.25 1 669 60 60 ASP CB C 40.186 0.25 1 670 60 60 ASP N N 123.501 0.25 1 671 61 61 ASP H H 9.268 0.015 1 672 61 61 ASP HA H 4.930 0.015 1 673 61 61 ASP HB2 H 2.872 0.015 1 674 61 61 ASP HB3 H 2.449 0.015 1 675 61 61 ASP CA C 49.501 0.25 1 676 61 61 ASP CB C 40.799 0.25 1 677 61 61 ASP N N 120.441 0.25 1 678 62 62 PRO HA H 4.356 0.015 1 679 62 62 PRO HB2 H 2.017 0.015 1 680 62 62 PRO HB3 H 2.361 0.015 1 681 62 62 PRO HD2 H 4.045 0.015 1 682 62 62 PRO HD3 H 3.979 0.015 1 683 62 62 PRO HG2 H 2.029 0.015 1 684 62 62 PRO HG3 H 2.029 0.015 1 685 62 62 PRO C C 178.848 0.25 1 686 62 62 PRO CA C 63.809 0.25 1 687 62 62 PRO CB C 31.440 0.25 1 688 62 62 PRO CD C 50.568 0.25 1 689 62 62 PRO CG C 26.633 0.25 1 690 63 63 LYS H H 8.128 0.015 1 691 63 63 LYS HA H 4.144 0.015 1 692 63 63 LYS HB2 H 1.768 0.015 1 693 63 63 LYS HB3 H 1.792 0.015 1 694 63 63 LYS HD2 H 1.655 0.015 1 695 63 63 LYS HD3 H 1.655 0.015 1 696 63 63 LYS HE2 H 2.953 0.015 1 697 63 63 LYS HE3 H 2.953 0.015 1 698 63 63 LYS HG2 H 1.400 0.015 1 699 63 63 LYS HG3 H 1.459 0.015 1 700 63 63 LYS CA C 57.191 0.25 1 701 63 63 LYS CB C 31.293 0.25 1 702 63 63 LYS CD C 28.127 0.25 1 703 63 63 LYS CE C 40.362 0.25 1 704 63 63 LYS CG C 23.865 0.25 1 705 63 63 LYS N N 115.328 0.25 1 706 64 64 LYS H H 8.016 0.015 1 707 64 64 LYS HA H 4.338 0.015 1 708 64 64 LYS HB2 H 1.712 0.015 1 709 64 64 LYS HB3 H 1.904 0.015 1 710 64 64 LYS HD2 H 1.621 0.015 1 711 64 64 LYS HD3 H 1.621 0.015 1 712 64 64 LYS HE2 H 2.922 0.015 1 713 64 64 LYS HE3 H 2.922 0.015 1 714 64 64 LYS HG2 H 1.285 0.015 1 715 64 64 LYS HG3 H 1.184 0.015 1 716 64 64 LYS C C 176.661 0.25 1 717 64 64 LYS CA C 54.862 0.25 1 718 64 64 LYS CB C 32.283 0.25 1 719 64 64 LYS CD C 28.276 0.25 1 720 64 64 LYS CE C 41.294 0.25 1 721 64 64 LYS CG C 24.978 0.25 1 722 64 64 LYS N N 117.818 0.25 1 723 65 65 GLY H H 7.332 0.015 1 724 65 65 GLY HA2 H 3.547 0.015 1 725 65 65 GLY HA3 H 3.752 0.015 1 726 65 65 GLY C C 172.226 0.25 1 727 65 65 GLY CA C 45.509 0.25 1 728 65 65 GLY N N 108.357 0.25 1 729 66 66 ILE H H 7.230 0.015 1 730 66 66 ILE HA H 4.482 0.015 1 731 66 66 ILE HB H 1.565 0.015 1 732 66 66 ILE HD1 H 0.833 0.015 1 733 66 66 ILE HG12 H 0.924 0.015 1 734 66 66 ILE HG13 H 1.327 0.015 1 735 66 66 ILE HG2 H 0.787 0.015 1 736 66 66 ILE C C 173.887 0.25 1 737 66 66 ILE CA C 58.521 0.25 1 738 66 66 ILE CB C 42.435 0.25 1 739 66 66 ILE CD1 C 13.400 0.25 1 740 66 66 ILE CG1 C 25.308 0.25 1 741 66 66 ILE CG2 C 17.283 0.25 1 742 66 66 ILE N N 117.435 0.25 1 743 67 67 TRP H H 8.464 0.015 1 744 67 67 TRP HA H 4.896 0.015 1 745 67 67 TRP HB2 H 3.020 0.015 1 746 67 67 TRP HB3 H 3.152 0.015 1 747 67 67 TRP HD1 H 7.325 0.015 1 748 67 67 TRP HE1 H 10.989 0.015 1 749 67 67 TRP HE3 H 7.521 0.015 1 750 67 67 TRP HH2 H 6.488 0.015 1 751 67 67 TRP HZ2 H 7.156 0.015 1 752 67 67 TRP HZ3 H 6.611 0.015 1 753 67 67 TRP C C 176.799 0.25 1 754 67 67 TRP CA C 55.349 0.25 1 755 67 67 TRP CB C 28.693 0.25 1 756 67 67 TRP CD1 C 126.659 0.25 1 757 67 67 TRP CE3 C 120.350 0.25 1 758 67 67 TRP CH2 C 125.176 0.25 1 759 67 67 TRP CZ2 C 113.684 0.25 1 760 67 67 TRP CZ3 C 121.251 0.25 1 761 67 67 TRP N N 123.678 0.25 1 762 67 67 TRP NE1 N 131.495 0.25 1 763 68 68 LEU H H 8.791 0.015 1 764 68 68 LEU HA H 3.886 0.015 1 765 68 68 LEU HB2 H 1.183 0.015 1 766 68 68 LEU HB3 H 1.434 0.015 1 767 68 68 LEU HD1 H 0.402 0.015 1 768 68 68 LEU HD2 H -0.162 0.015 1 769 68 68 LEU HG H 0.670 0.015 1 770 68 68 LEU C C 177.413 0.25 1 771 68 68 LEU CA C 55.065 0.25 1 772 68 68 LEU CB C 40.163 0.25 1 773 68 68 LEU CD1 C 24.520 0.25 1 774 68 68 LEU CD2 C 21.541 0.25 1 775 68 68 LEU CG C 26.803 0.25 1 776 68 68 LEU N N 124.864 0.25 1 777 69 69 GLU H H 8.482 0.015 1 778 69 69 GLU HA H 4.216 0.015 1 779 69 69 GLU HB2 H 1.920 0.015 1 780 69 69 GLU HB3 H 2.053 0.015 1 781 69 69 GLU HG2 H 2.401 0.015 1 782 69 69 GLU HG3 H 2.284 0.015 1 783 69 69 GLU C C 176.472 0.25 1 784 69 69 GLU CA C 55.913 0.25 1 785 69 69 GLU CB C 30.214 0.25 1 786 69 69 GLU CG C 36.272 0.25 1 787 69 69 GLU N N 124.315 0.25 1 788 70 70 ALA H H 8.421 0.015 1 789 70 70 ALA HA H 3.918 0.015 1 790 70 70 ALA HB H 1.520 0.015 1 791 70 70 ALA C C 178.006 0.25 1 792 70 70 ALA CA C 54.560 0.25 1 793 70 70 ALA CB C 18.838 0.25 1 794 70 70 ALA N N 124.276 0.25 1 795 71 71 GLY H H 8.160 0.015 1 796 71 71 GLY HA2 H 3.583 0.015 1 797 71 71 GLY HA3 H 4.351 0.015 1 798 71 71 GLY C C 174.571 0.25 1 799 71 71 GLY CA C 44.556 0.25 1 800 71 71 GLY N N 99.920 0.25 1 801 72 72 LYS H H 7.473 0.015 1 802 72 72 LYS HA H 4.396 0.015 1 803 72 72 LYS HB2 H 2.048 0.015 1 804 72 72 LYS HB3 H 1.536 0.015 1 805 72 72 LYS HD2 H 0.493 0.015 1 806 72 72 LYS HD3 H 0.867 0.015 1 807 72 72 LYS HE2 H 2.248 0.015 1 808 72 72 LYS HE3 H 2.248 0.015 1 809 72 72 LYS HG2 H 0.983 0.015 1 810 72 72 LYS HG3 H 0.983 0.015 1 811 72 72 LYS CA C 52.569 0.25 1 812 72 72 LYS CB C 34.623 0.25 1 813 72 72 LYS CD C 27.223 0.25 1 814 72 72 LYS CE C 41.580 0.25 1 815 72 72 LYS CG C 24.318 0.25 1 816 72 72 LYS N N 119.985 0.25 1 817 73 73 ALA H H 8.131 0.015 1 818 73 73 ALA HA H 4.866 0.015 1 819 73 73 ALA HB H 1.391 0.015 1 820 73 73 ALA C C 179.377 0.25 1 821 73 73 ALA CA C 50.066 0.25 1 822 73 73 ALA CB C 19.990 0.25 1 823 73 73 ALA N N 121.925 0.25 1 824 74 74 LEU H H 8.349 0.015 1 825 74 74 LEU HA H 3.921 0.015 1 826 74 74 LEU HB2 H 1.930 0.015 1 827 74 74 LEU HB3 H 1.085 0.015 1 828 74 74 LEU HD1 H 0.325 0.015 1 829 74 74 LEU HD2 H 0.295 0.015 1 830 74 74 LEU HG H 1.651 0.015 1 831 74 74 LEU C C 179.380 0.25 1 832 74 74 LEU CA C 57.967 0.25 1 833 74 74 LEU CB C 40.375 0.25 1 834 74 74 LEU CD1 C 25.405 0.25 1 835 74 74 LEU CD2 C 21.037 0.25 1 836 74 74 LEU CG C 25.516 0.25 1 837 74 74 LEU N N 118.605 0.25 1 838 75 75 ASP H H 8.084 0.015 1 839 75 75 ASP HA H 4.373 0.015 1 840 75 75 ASP HB2 H 2.764 0.015 1 841 75 75 ASP HB3 H 2.439 0.015 1 842 75 75 ASP C C 178.948 0.25 1 843 75 75 ASP CA C 54.879 0.25 1 844 75 75 ASP CB C 38.982 0.25 1 845 75 75 ASP N N 113.515 0.25 1 846 76 76 TYR H H 7.900 0.015 1 847 76 76 TYR HA H 3.929 0.015 1 848 76 76 TYR HB2 H 2.827 0.015 1 849 76 76 TYR HB3 H 3.108 0.015 1 850 76 76 TYR HD1 H 6.061 0.015 3 851 76 76 TYR HD2 H 6.061 0.015 3 852 76 76 TYR HE1 H 6.542 0.015 3 853 76 76 TYR HE2 H 6.542 0.015 3 854 76 76 TYR C C 176.679 0.25 1 855 76 76 TYR CA C 59.969 0.25 1 856 76 76 TYR CB C 38.030 0.25 1 857 76 76 TYR CD1 C 133.504 0.25 3 858 76 76 TYR CD2 C 133.504 0.25 3 859 76 76 TYR CE1 C 117.569 0.25 3 860 76 76 TYR CE2 C 117.569 0.25 3 861 76 76 TYR N N 124.072 0.25 1 862 77 77 TYR H H 7.561 0.015 1 863 77 77 TYR HA H 3.999 0.015 1 864 77 77 TYR HB2 H 2.689 0.015 1 865 77 77 TYR HB3 H 3.159 0.015 1 866 77 77 TYR HD1 H 7.231 0.015 3 867 77 77 TYR HD2 H 7.231 0.015 3 868 77 77 TYR HE1 H 6.866 0.015 3 869 77 77 TYR HE2 H 6.866 0.015 3 870 77 77 TYR C C 174.463 0.25 1 871 77 77 TYR CA C 58.248 0.25 1 872 77 77 TYR CB C 37.425 0.25 1 873 77 77 TYR CD1 C 134.030 0.25 3 874 77 77 TYR CD2 C 134.030 0.25 3 875 77 77 TYR CE1 C 118.806 0.25 3 876 77 77 TYR CE2 C 118.806 0.25 3 877 77 77 TYR N N 113.971 0.25 1 878 78 78 MET H H 7.827 0.015 1 879 78 78 MET HA H 4.091 0.015 1 880 78 78 MET HB2 H 2.064 0.015 1 881 78 78 MET HB3 H 2.010 0.015 1 882 78 78 MET HE H 1.930 0.015 1 883 78 78 MET HG2 H 2.279 0.015 1 884 78 78 MET HG3 H 2.339 0.015 1 885 78 78 MET C C 175.161 0.25 1 886 78 78 MET CA C 54.984 0.25 1 887 78 78 MET CB C 27.914 0.25 1 888 78 78 MET CE C 16.019 0.25 1 889 78 78 MET CG C 31.349 0.25 1 890 78 78 MET N N 114.215 0.25 1 891 79 79 LEU H H 6.781 0.015 1 892 79 79 LEU HA H 4.216 0.015 1 893 79 79 LEU HB2 H 1.481 0.015 1 894 79 79 LEU HB3 H 1.324 0.015 1 895 79 79 LEU HD1 H 0.821 0.015 1 896 79 79 LEU HD2 H 0.822 0.015 1 897 79 79 LEU HG H 1.514 0.015 1 898 79 79 LEU C C 176.099 0.25 1 899 79 79 LEU CA C 53.969 0.25 1 900 79 79 LEU CB C 42.849 0.25 1 901 79 79 LEU CD1 C 23.019 0.25 1 902 79 79 LEU CD2 C 26.574 0.25 1 903 79 79 LEU CG C 26.819 0.25 1 904 79 79 LEU N N 117.878 0.25 1 905 80 80 ARG H H 8.928 0.015 1 906 80 80 ARG HA H 4.450 0.015 1 907 80 80 ARG HB2 H 1.731 0.015 1 908 80 80 ARG HB3 H 1.629 0.015 1 909 80 80 ARG HD2 H 3.183 0.015 1 910 80 80 ARG HD3 H 3.114 0.015 1 911 80 80 ARG HE H 7.403 0.015 1 912 80 80 ARG HG2 H 1.559 0.015 1 913 80 80 ARG HG3 H 1.611 0.015 1 914 80 80 ARG C C 175.113 0.25 1 915 80 80 ARG CA C 52.792 0.25 1 916 80 80 ARG CB C 32.548 0.25 1 917 80 80 ARG CD C 42.687 0.25 1 918 80 80 ARG CG C 25.826 0.25 1 919 80 80 ARG N N 120.795 0.25 1 920 80 80 ARG NE N 85.829 0.25 1 921 81 81 ASN H H 8.363 0.015 1 922 81 81 ASN HA H 4.722 0.015 1 923 81 81 ASN HB2 H 2.607 0.015 1 924 81 81 ASN HB3 H 2.695 0.015 1 925 81 81 ASN HD21 H 7.535 0.015 1 926 81 81 ASN HD22 H 7.090 0.015 1 927 81 81 ASN C C 177.859 0.25 1 928 81 81 ASN CA C 53.773 0.25 1 929 81 81 ASN CB C 37.541 0.25 1 930 81 81 ASN N N 117.353 0.25 1 931 81 81 ASN ND2 N 112.852 0.25 1 932 82 82 GLY H H 9.300 0.015 1 933 82 82 GLY HA2 H 3.517 0.015 1 934 82 82 GLY HA3 H 4.261 0.015 1 935 82 82 GLY CA C 44.162 0.25 1 936 82 82 GLY N N 112.169 0.25 1 937 83 83 ASP H H 8.080 0.015 1 938 83 83 ASP HA H 4.584 0.015 1 939 83 83 ASP HB2 H 2.804 0.015 1 940 83 83 ASP HB3 H 2.472 0.015 1 941 83 83 ASP C C 174.448 0.25 1 942 83 83 ASP CA C 55.036 0.25 1 943 83 83 ASP CB C 40.677 0.25 1 944 83 83 ASP N N 122.064 0.25 1 945 84 84 THR H H 8.146 0.015 1 946 84 84 THR HA H 5.336 0.015 1 947 84 84 THR HB H 3.862 0.015 1 948 84 84 THR HG2 H 1.007 0.015 1 949 84 84 THR C C 174.562 0.25 1 950 84 84 THR CA C 60.570 0.25 1 951 84 84 THR CB C 69.925 0.25 1 952 84 84 THR CG2 C 20.251 0.25 1 953 84 84 THR N N 114.092 0.25 1 954 85 85 MET H H 9.055 0.015 1 955 85 85 MET HA H 4.881 0.015 1 956 85 85 MET HB2 H 1.717 0.015 1 957 85 85 MET HB3 H 1.816 0.015 1 958 85 85 MET HE H 1.472 0.015 1 959 85 85 MET HG2 H 2.147 0.015 1 960 85 85 MET HG3 H 2.147 0.015 1 961 85 85 MET C C 173.973 0.25 1 962 85 85 MET CA C 53.187 0.25 1 963 85 85 MET CB C 36.241 0.25 1 964 85 85 MET CE C 17.088 0.25 1 965 85 85 MET CG C 30.863 0.25 1 966 85 85 MET N N 123.252 0.25 1 967 86 86 GLU H H 9.168 0.015 1 968 86 86 GLU HA H 5.171 0.015 1 969 86 86 GLU HB2 H 1.985 0.015 1 970 86 86 GLU HB3 H 1.985 0.015 1 971 86 86 GLU HG2 H 2.022 0.015 1 972 86 86 GLU HG3 H 2.402 0.015 1 973 86 86 GLU C C 175.622 0.25 1 974 86 86 GLU CA C 53.758 0.25 1 975 86 86 GLU CB C 31.573 0.25 1 976 86 86 GLU CG C 35.263 0.25 1 977 86 86 GLU N N 121.794 0.25 1 978 87 87 TYR H H 8.550 0.015 1 979 87 87 TYR HA H 5.416 0.015 1 980 87 87 TYR HB2 H 2.437 0.015 1 981 87 87 TYR HB3 H 3.110 0.015 1 982 87 87 TYR HD1 H 6.816 0.015 3 983 87 87 TYR HD2 H 6.816 0.015 3 984 87 87 TYR HE1 H 6.311 0.015 3 985 87 87 TYR HE2 H 6.311 0.015 3 986 87 87 TYR CA C 56.582 0.25 1 987 87 87 TYR CB C 37.764 0.25 1 988 87 87 TYR CD1 C 132.719 0.25 3 989 87 87 TYR CD2 C 132.719 0.25 3 990 87 87 TYR CE1 C 117.823 0.25 3 991 87 87 TYR CE2 C 117.823 0.25 3 992 87 87 TYR N N 127.503 0.25 1 993 88 88 ARG H H 8.680 0.015 1 994 88 88 ARG HA H 4.735 0.015 1 995 88 88 ARG HB2 H 1.459 0.015 1 996 88 88 ARG HB3 H 1.696 0.015 1 997 88 88 ARG HD2 H 2.433 0.015 1 998 88 88 ARG HD3 H 2.137 0.015 1 999 88 88 ARG HE H 6.674 0.015 1 1000 88 88 ARG HG2 H 1.462 0.015 1 1001 88 88 ARG HG3 H 1.544 0.015 1 1002 88 88 ARG CA C 54.182 0.25 1 1003 88 88 ARG CB C 33.906 0.25 1 1004 88 88 ARG CD C 42.617 0.25 1 1005 88 88 ARG CG C 25.848 0.25 1 1006 88 88 ARG N N 126.310 0.25 1 1007 88 88 ARG NE N 83.687 0.25 1 1008 89 89 LYS H H 8.413 0.015 1 1009 89 89 LYS HA H 3.520 0.015 1 1010 89 89 LYS HB2 H 1.335 0.015 1 1011 89 89 LYS HB3 H 1.530 0.015 1 1012 89 89 LYS HD2 H 1.451 0.015 1 1013 89 89 LYS HD3 H 1.451 0.015 1 1014 89 89 LYS HE2 H 2.779 0.015 1 1015 89 89 LYS HE3 H 2.806 0.015 1 1016 89 89 LYS HG2 H 0.911 0.015 1 1017 89 89 LYS HG3 H 0.911 0.015 1 1018 89 89 LYS CA C 56.125 0.25 1 1019 89 89 LYS CB C 31.816 0.25 1 1020 89 89 LYS CD C 28.673 0.25 1 1021 89 89 LYS CE C 41.345 0.25 1 1022 89 89 LYS CG C 24.722 0.25 1 1023 89 89 LYS N N 124.430 0.25 1 1024 90 90 LYS H H 8.102 0.015 1 1025 90 90 LYS HA H 3.700 0.015 1 1026 90 90 LYS HB2 H 1.131 0.015 1 1027 90 90 LYS HB3 H 0.953 0.015 1 1028 90 90 LYS HD2 H 1.046 0.015 1 1029 90 90 LYS HD3 H 1.046 0.015 1 1030 90 90 LYS HE2 H 2.377 0.015 1 1031 90 90 LYS HE3 H 2.332 0.015 1 1032 90 90 LYS HG2 H 0.537 0.015 1 1033 90 90 LYS HG3 H 0.026 0.015 1 1034 90 90 LYS C C 177.050 0.25 1 1035 90 90 LYS CA C 57.075 0.25 1 1036 90 90 LYS CB C 32.481 0.25 1 1037 90 90 LYS CD C 28.166 0.25 1 1038 90 90 LYS CE C 41.042 0.25 1 1039 90 90 LYS CG C 24.551 0.25 1 1040 90 90 LYS N N 124.361 0.25 1 1041 91 91 GLN H H 7.127 0.015 1 1042 91 91 GLN HA H 4.683 0.015 1 1043 91 91 GLN HB2 H 1.551 0.015 1 1044 91 91 GLN HB3 H 1.611 0.015 1 1045 91 91 GLN HE21 H 6.467 0.015 1 1046 91 91 GLN HE22 H 7.284 0.015 1 1047 91 91 GLN HG2 H 1.887 0.015 1 1048 91 91 GLN HG3 H 2.074 0.015 1 1049 91 91 GLN C C 175.570 0.25 1 1050 91 91 GLN CA C 54.531 0.25 1 1051 91 91 GLN CB C 29.092 0.25 1 1052 91 91 GLN CG C 33.177 0.25 1 1053 91 91 GLN N N 116.460 0.25 1 1054 91 91 GLN NE2 N 110.728 0.25 1 1055 92 92 ARG H H 9.315 0.015 1 1056 92 92 ARG HA H 4.808 0.015 1 1057 92 92 ARG HB2 H 1.791 0.015 1 1058 92 92 ARG HB3 H 1.791 0.015 1 1059 92 92 ARG HD2 H 2.982 0.015 1 1060 92 92 ARG HD3 H 2.903 0.015 1 1061 92 92 ARG HE H 7.403 0.015 1 1062 92 92 ARG HG2 H 1.444 0.015 1 1063 92 92 ARG HG3 H 1.507 0.015 1 1064 92 92 ARG CA C 51.549 0.25 1 1065 92 92 ARG CB C 31.062 0.25 1 1066 92 92 ARG CD C 43.682 0.25 1 1067 92 92 ARG CG C 24.445 0.25 1 1068 92 92 ARG N N 121.064 0.25 1 1069 92 92 ARG NE N 85.133 0.25 1 1070 93 93 PRO HA H 4.634 0.015 1 1071 93 93 PRO HB2 H 1.676 0.015 1 1072 93 93 PRO HB3 H 1.918 0.015 1 1073 93 93 PRO HD2 H 3.643 0.015 1 1074 93 93 PRO HD3 H 3.527 0.015 1 1075 93 93 PRO HG2 H 2.087 0.015 1 1076 93 93 PRO HG3 H 1.873 0.015 1 1077 93 93 PRO C C 176.528 0.25 1 1078 93 93 PRO CA C 62.019 0.25 1 1079 93 93 PRO CB C 31.366 0.25 1 1080 93 93 PRO CD C 49.832 0.25 1 1081 93 93 PRO CG C 26.691 0.25 1 1082 94 94 LEU H H 9.024 0.015 1 1083 94 94 LEU HA H 4.630 0.015 1 1084 94 94 LEU HB2 H 1.848 0.015 1 1085 94 94 LEU HB3 H 1.089 0.015 1 1086 94 94 LEU HD1 H 0.689 0.015 1 1087 94 94 LEU HD2 H 0.787 0.015 1 1088 94 94 LEU HG H 1.300 0.015 1 1089 94 94 LEU C C 174.498 0.25 1 1090 94 94 LEU CA C 53.116 0.25 1 1091 94 94 LEU CB C 44.857 0.25 1 1092 94 94 LEU CD1 C 26.622 0.25 1 1093 94 94 LEU CD2 C 22.954 0.25 1 1094 94 94 LEU CG C 26.512 0.25 1 1095 94 94 LEU N N 128.567 0.25 1 1096 95 95 LYS H H 8.481 0.015 1 1097 95 95 LYS HA H 4.657 0.015 1 1098 95 95 LYS HB2 H 1.843 0.015 1 1099 95 95 LYS HB3 H 1.815 0.015 1 1100 95 95 LYS HD2 H 1.459 0.015 1 1101 95 95 LYS HD3 H 1.505 0.015 1 1102 95 95 LYS HE2 H 2.803 0.015 1 1103 95 95 LYS HE3 H 2.803 0.015 1 1104 95 95 LYS HG2 H 1.273 0.015 1 1105 95 95 LYS HG3 H 1.330 0.015 1 1106 95 95 LYS C C 174.775 0.25 1 1107 95 95 LYS CA C 55.471 0.25 1 1108 95 95 LYS CB C 32.299 0.25 1 1109 95 95 LYS CD C 28.560 0.25 1 1110 95 95 LYS CE C 41.430 0.25 1 1111 95 95 LYS CG C 24.346 0.25 1 1112 95 95 LYS N N 127.742 0.25 1 1113 96 96 ILE H H 8.810 0.015 1 1114 96 96 ILE HA H 5.055 0.015 1 1115 96 96 ILE HB H 1.654 0.015 1 1116 96 96 ILE HD1 H 0.637 0.015 1 1117 96 96 ILE HG12 H 1.114 0.015 1 1118 96 96 ILE HG13 H 1.208 0.015 1 1119 96 96 ILE HG2 H 0.638 0.015 1 1120 96 96 ILE C C 174.681 0.25 1 1121 96 96 ILE CA C 56.258 0.25 1 1122 96 96 ILE CB C 40.045 0.25 1 1123 96 96 ILE CD1 C 12.950 0.25 1 1124 96 96 ILE CG1 C 26.122 0.25 1 1125 96 96 ILE CG2 C 18.005 0.25 1 1126 96 96 ILE N N 122.067 0.25 1 1127 97 97 ARG H H 9.211 0.015 1 1128 97 97 ARG HA H 4.821 0.015 1 1129 97 97 ARG HB2 H 1.381 0.015 1 1130 97 97 ARG HB3 H 1.708 0.015 1 1131 97 97 ARG HD2 H 2.983 0.015 1 1132 97 97 ARG HD3 H 3.184 0.015 1 1133 97 97 ARG HE H 7.931 0.015 1 1134 97 97 ARG HG2 H 1.631 0.015 1 1135 97 97 ARG HG3 H 1.381 0.015 1 1136 97 97 ARG HH12 H 6.801 0.015 1 1137 97 97 ARG HH22 H 6.801 0.015 1 1138 97 97 ARG C C 175.857 0.25 1 1139 97 97 ARG CA C 54.273 0.25 1 1140 97 97 ARG CB C 30.269 0.25 1 1141 97 97 ARG CD C 42.138 0.25 1 1142 97 97 ARG CG C 26.293 0.25 1 1143 97 97 ARG N N 127.044 0.25 1 1144 97 97 ARG NE N 82.663 0.25 1 1145 97 97 ARG NH1 N 71.967 0.25 1 1146 97 97 ARG NH2 N 71.967 0.25 1 1147 98 98 MET H H 8.934 0.015 1 1148 98 98 MET HA H 4.570 0.015 1 1149 98 98 MET HB2 H 2.458 0.015 1 1150 98 98 MET HB3 H 2.231 0.015 1 1151 98 98 MET HE H 1.908 0.015 1 1152 98 98 MET HG2 H 2.450 0.015 1 1153 98 98 MET HG3 H 2.587 0.015 1 1154 98 98 MET C C 178.552 0.25 1 1155 98 98 MET CA C 53.206 0.25 1 1156 98 98 MET CB C 32.677 0.25 1 1157 98 98 MET CE C 17.137 0.25 1 1158 98 98 MET CG C 32.412 0.25 1 1159 98 98 MET N N 125.249 0.25 1 1160 99 99 LEU H H 8.495 0.015 1 1161 99 99 LEU HA H 4.071 0.015 1 1162 99 99 LEU HB2 H 1.739 0.015 1 1163 99 99 LEU HB3 H 1.615 0.015 1 1164 99 99 LEU HD1 H 0.951 0.015 1 1165 99 99 LEU HD2 H 0.961 0.015 1 1166 99 99 LEU HG H 1.750 0.015 1 1167 99 99 LEU C C 177.993 0.25 1 1168 99 99 LEU CA C 57.227 0.25 1 1169 99 99 LEU CB C 40.539 0.25 1 1170 99 99 LEU CD1 C 22.949 0.25 1 1171 99 99 LEU CD2 C 24.387 0.25 1 1172 99 99 LEU CG C 26.787 0.25 1 1173 99 99 LEU N N 121.241 0.25 1 1174 100 100 ASP H H 7.679 0.015 1 1175 100 100 ASP HA H 4.436 0.015 1 1176 100 100 ASP HB2 H 2.543 0.015 1 1177 100 100 ASP HB3 H 3.044 0.015 1 1178 100 100 ASP C C 177.163 0.25 1 1179 100 100 ASP CA C 52.621 0.25 1 1180 100 100 ASP CB C 39.259 0.25 1 1181 100 100 ASP N N 115.053 0.25 1 1182 101 101 GLY H H 7.987 0.015 1 1183 101 101 GLY HA2 H 4.324 0.015 1 1184 101 101 GLY HA3 H 3.486 0.015 1 1185 101 101 GLY C C 174.848 0.25 1 1186 101 101 GLY CA C 44.451 0.25 1 1187 101 101 GLY N N 107.994 0.25 1 1188 102 102 THR H H 8.053 0.015 1 1189 102 102 THR HA H 4.178 0.015 1 1190 102 102 THR HB H 4.073 0.015 1 1191 102 102 THR HG2 H 1.073 0.015 1 1192 102 102 THR C C 173.032 0.25 1 1193 102 102 THR CA C 62.064 0.25 1 1194 102 102 THR CB C 69.489 0.25 1 1195 102 102 THR CG2 C 21.070 0.25 1 1196 102 102 THR N N 115.992 0.25 1 1197 103 103 VAL H H 8.397 0.015 1 1198 103 103 VAL HA H 4.871 0.015 1 1199 103 103 VAL HB H 1.809 0.015 1 1200 103 103 VAL HG1 H 0.821 0.015 1 1201 103 103 VAL HG2 H 0.691 0.015 1 1202 103 103 VAL C C 176.375 0.25 1 1203 103 103 VAL CA C 60.661 0.25 1 1204 103 103 VAL CB C 32.551 0.25 1 1205 103 103 VAL CG1 C 20.978 0.25 1 1206 103 103 VAL CG2 C 20.677 0.25 1 1207 103 103 VAL N N 121.801 0.25 1 1208 104 104 LYS H H 9.137 0.015 1 1209 104 104 LYS HA H 4.612 0.015 1 1210 104 104 LYS HB2 H 1.642 0.015 1 1211 104 104 LYS HB3 H 1.510 0.015 1 1212 104 104 LYS HD2 H 1.578 0.015 1 1213 104 104 LYS HD3 H 1.578 0.015 1 1214 104 104 LYS HE2 H 2.878 0.015 1 1215 104 104 LYS HE3 H 2.878 0.015 1 1216 104 104 LYS HG2 H 1.280 0.015 1 1217 104 104 LYS HG3 H 1.331 0.015 1 1218 104 104 LYS C C 174.781 0.25 1 1219 104 104 LYS CA C 53.326 0.25 1 1220 104 104 LYS CB C 35.292 0.25 1 1221 104 104 LYS CD C 28.148 0.25 1 1222 104 104 LYS CE C 41.454 0.25 1 1223 104 104 LYS CG C 24.410 0.25 1 1224 104 104 LYS N N 128.894 0.25 1 1225 105 105 THR H H 8.420 0.015 1 1226 105 105 THR HA H 4.936 0.015 1 1227 105 105 THR HB H 3.831 0.015 1 1228 105 105 THR HG2 H 0.904 0.015 1 1229 105 105 THR C C 174.394 0.25 1 1230 105 105 THR CA C 61.471 0.25 1 1231 105 105 THR CB C 68.288 0.25 1 1232 105 105 THR CG2 C 21.139 0.25 1 1233 105 105 THR N N 118.508 0.25 1 1234 106 106 ILE H H 9.170 0.015 1 1235 106 106 ILE HA H 4.271 0.015 1 1236 106 106 ILE HB H 1.588 0.015 1 1237 106 106 ILE HD1 H 0.634 0.015 1 1238 106 106 ILE HG12 H 1.249 0.015 1 1239 106 106 ILE HG13 H 1.065 0.015 1 1240 106 106 ILE HG2 H 0.686 0.015 1 1241 106 106 ILE C C 174.677 0.25 1 1242 106 106 ILE CA C 58.063 0.25 1 1243 106 106 ILE CB C 40.298 0.25 1 1244 106 106 ILE CD1 C 12.795 0.25 1 1245 106 106 ILE CG1 C 26.743 0.25 1 1246 106 106 ILE CG2 C 16.827 0.25 1 1247 106 106 ILE N N 128.652 0.25 1 1248 107 107 MET H H 8.323 0.015 1 1249 107 107 MET HA H 4.866 0.015 1 1250 107 107 MET HB2 H 1.888 0.015 1 1251 107 107 MET HB3 H 1.559 0.015 1 1252 107 107 MET HE H 1.748 0.015 1 1253 107 107 MET HG2 H 2.442 0.015 1 1254 107 107 MET HG3 H 2.514 0.015 1 1255 107 107 MET C C 176.371 0.25 1 1256 107 107 MET CA C 53.022 0.25 1 1257 107 107 MET CB C 30.029 0.25 1 1258 107 107 MET CE C 15.656 0.25 1 1259 107 107 MET CG C 31.382 0.25 1 1260 107 107 MET N N 124.052 0.25 1 1261 108 108 VAL H H 8.818 0.015 1 1262 108 108 VAL HA H 4.654 0.015 1 1263 108 108 VAL HB H 1.965 0.015 1 1264 108 108 VAL HG1 H 0.728 0.015 1 1265 108 108 VAL HG2 H 0.729 0.015 1 1266 108 108 VAL CA C 57.984 0.25 1 1267 108 108 VAL CB C 35.275 0.25 1 1268 108 108 VAL CG1 C 20.645 0.25 1 1269 108 108 VAL CG2 C 17.481 0.25 1 1270 108 108 VAL N N 116.771 0.25 1 1271 109 109 ASP H H 8.057 0.015 1 1272 109 109 ASP HA H 4.172 0.015 1 1273 109 109 ASP HB2 H 2.263 0.015 1 1274 109 109 ASP HB3 H 2.624 0.015 1 1275 109 109 ASP C C 175.171 0.25 1 1276 109 109 ASP CA C 52.082 0.25 1 1277 109 109 ASP CB C 40.431 0.25 1 1278 109 109 ASP N N 120.742 0.25 1 1279 110 110 ASP H H 8.374 0.015 1 1280 110 110 ASP HA H 4.254 0.015 1 1281 110 110 ASP HB2 H 2.619 0.015 1 1282 110 110 ASP HB3 H 2.478 0.015 1 1283 110 110 ASP C C 175.815 0.25 1 1284 110 110 ASP CA C 55.764 0.25 1 1285 110 110 ASP CB C 43.278 0.25 1 1286 110 110 ASP N N 124.722 0.25 1 1287 111 111 SER H H 8.605 0.015 1 1288 111 111 SER HA H 4.156 0.015 1 1289 111 111 SER HB2 H 3.707 0.015 1 1290 111 111 SER HB3 H 2.420 0.015 1 1291 111 111 SER C C 174.751 0.25 1 1292 111 111 SER CA C 58.062 0.25 1 1293 111 111 SER CB C 63.482 0.25 1 1294 111 111 SER N N 111.726 0.25 1 1295 112 112 LYS H H 7.248 0.015 1 1296 112 112 LYS HA H 4.505 0.015 1 1297 112 112 LYS HB2 H 1.830 0.015 1 1298 112 112 LYS HB3 H 1.953 0.015 1 1299 112 112 LYS HD2 H 1.454 0.015 1 1300 112 112 LYS HD3 H 1.547 0.015 1 1301 112 112 LYS HE2 H 2.745 0.015 1 1302 112 112 LYS HE3 H 2.843 0.015 1 1303 112 112 LYS HG2 H 1.328 0.015 1 1304 112 112 LYS HG3 H 1.138 0.015 1 1305 112 112 LYS C C 176.349 0.25 1 1306 112 112 LYS CA C 53.868 0.25 1 1307 112 112 LYS CB C 33.016 0.25 1 1308 112 112 LYS CD C 27.764 0.25 1 1309 112 112 LYS CE C 41.566 0.25 1 1310 112 112 LYS CG C 24.603 0.25 1 1311 112 112 LYS N N 122.646 0.25 1 1312 113 113 THR H H 8.524 0.015 1 1313 113 113 THR HA H 3.787 0.015 1 1314 113 113 THR HB H 4.437 0.015 1 1315 113 113 THR HG2 H 1.207 0.015 1 1316 113 113 THR CA C 60.845 0.25 1 1317 113 113 THR CB C 70.591 0.25 1 1318 113 113 THR CG2 C 21.719 0.25 1 1319 113 113 THR N N 108.818 0.25 1 1320 114 114 VAL H H 7.903 0.015 1 1321 114 114 VAL HA H 3.455 0.015 1 1322 114 114 VAL HB H 2.297 0.015 1 1323 114 114 VAL HG1 H 0.486 0.015 1 1324 114 114 VAL HG2 H 0.929 0.015 1 1325 114 114 VAL C C 177.618 0.25 1 1326 114 114 VAL CA C 66.771 0.25 1 1327 114 114 VAL CB C 30.867 0.25 1 1328 114 114 VAL CG1 C 20.993 0.25 1 1329 114 114 VAL CG2 C 24.013 0.25 1 1330 114 114 VAL N N 121.189 0.25 1 1331 115 115 THR H H 8.767 0.015 1 1332 115 115 THR HA H 3.773 0.015 1 1333 115 115 THR HB H 4.014 0.015 1 1334 115 115 THR HG2 H 1.206 0.015 1 1335 115 115 THR C C 175.478 0.25 1 1336 115 115 THR CA C 66.851 0.25 1 1337 115 115 THR CB C 68.687 0.25 1 1338 115 115 THR CG2 C 20.875 0.25 1 1339 115 115 THR N N 116.565 0.25 1 1340 116 116 ASP H H 7.010 0.015 1 1341 116 116 ASP HA H 4.373 0.015 1 1342 116 116 ASP HB2 H 2.678 0.015 1 1343 116 116 ASP HB3 H 2.595 0.015 1 1344 116 116 ASP CA C 56.694 0.25 1 1345 116 116 ASP CB C 40.486 0.25 1 1346 116 116 ASP N N 121.131 0.25 1 1347 117 117 MET H H 8.406 0.015 1 1348 117 117 MET HA H 4.013 0.015 1 1349 117 117 MET HB2 H 1.739 0.015 1 1350 117 117 MET HB3 H 2.001 0.015 1 1351 117 117 MET HE H 1.950 0.015 1 1352 117 117 MET HG2 H 2.574 0.015 1 1353 117 117 MET HG3 H 2.241 0.015 1 1354 117 117 MET CA C 58.722 0.25 1 1355 117 117 MET CB C 31.868 0.25 1 1356 117 117 MET CE C 17.795 0.25 1 1357 117 117 MET CG C 31.953 0.25 1 1358 117 117 MET N N 120.608 0.25 1 1359 118 118 LEU H H 8.745 0.015 1 1360 118 118 LEU HA H 3.852 0.015 1 1361 118 118 LEU HB2 H 1.641 0.015 1 1362 118 118 LEU HB3 H 1.779 0.015 1 1363 118 118 LEU HD1 H 0.750 0.015 1 1364 118 118 LEU HD2 H 0.677 0.015 1 1365 118 118 LEU HG H 1.503 0.015 1 1366 118 118 LEU C C 178.946 0.25 1 1367 118 118 LEU CA C 57.396 0.25 1 1368 118 118 LEU CB C 41.412 0.25 1 1369 118 118 LEU CD1 C 24.209 0.25 1 1370 118 118 LEU CD2 C 24.737 0.25 1 1371 118 118 LEU CG C 27.311 0.25 1 1372 118 118 LEU N N 120.276 0.25 1 1373 119 119 MET H H 7.642 0.015 1 1374 119 119 MET HA H 3.584 0.015 1 1375 119 119 MET HB2 H 1.907 0.015 1 1376 119 119 MET HB3 H 1.742 0.015 1 1377 119 119 MET HE H 1.749 0.015 1 1378 119 119 MET HG2 H 1.746 0.015 1 1379 119 119 MET HG3 H 2.305 0.015 1 1380 119 119 MET C C 178.811 0.25 1 1381 119 119 MET CA C 59.165 0.25 1 1382 119 119 MET CB C 31.296 0.25 1 1383 119 119 MET CE C 15.625 0.25 1 1384 119 119 MET CG C 30.830 0.25 1 1385 119 119 MET N N 118.442 0.25 1 1386 120 120 THR H H 7.464 0.015 1 1387 120 120 THR HA H 3.838 0.015 1 1388 120 120 THR HB H 4.242 0.015 1 1389 120 120 THR HG2 H 1.160 0.015 1 1390 120 120 THR C C 176.375 0.25 1 1391 120 120 THR CA C 65.841 0.25 1 1392 120 120 THR CB C 68.094 0.25 1 1393 120 120 THR CG2 C 21.169 0.25 1 1394 120 120 THR N N 116.907 0.25 1 1395 121 121 ILE H H 8.529 0.015 1 1396 121 121 ILE HA H 3.374 0.015 1 1397 121 121 ILE HB H 1.771 0.015 1 1398 121 121 ILE HD1 H 0.642 0.015 1 1399 121 121 ILE HG12 H 0.781 0.015 1 1400 121 121 ILE HG13 H 0.781 0.015 1 1401 121 121 ILE HG2 H 0.726 0.015 1 1402 121 121 ILE C C 177.379 0.25 1 1403 121 121 ILE CA C 64.850 0.25 1 1404 121 121 ILE CB C 38.501 0.25 1 1405 121 121 ILE CD1 C 14.249 0.25 1 1406 121 121 ILE CG1 C 28.610 0.25 1 1407 121 121 ILE CG2 C 16.513 0.25 1 1408 121 121 ILE N N 121.176 0.25 1 1409 122 122 CYS H H 8.348 0.015 1 1410 122 122 CYS HA H 3.751 0.015 1 1411 122 122 CYS HB2 H 2.996 0.015 1 1412 122 122 CYS HB3 H 2.802 0.015 1 1413 122 122 CYS C C 176.754 0.25 1 1414 122 122 CYS CA C 64.675 0.25 1 1415 122 122 CYS CB C 25.470 0.25 1 1416 122 122 CYS N N 114.793 0.25 1 1417 123 123 ALA H H 7.776 0.015 1 1418 123 123 ALA HA H 4.080 0.015 1 1419 123 123 ALA HB H 1.429 0.015 1 1420 123 123 ALA C C 180.751 0.25 1 1421 123 123 ALA CA C 54.277 0.25 1 1422 123 123 ALA CB C 17.173 0.25 1 1423 123 123 ALA N N 121.182 0.25 1 1424 124 124 ARG H H 7.673 0.015 1 1425 124 124 ARG HA H 4.104 0.015 1 1426 124 124 ARG HB2 H 1.953 0.015 1 1427 124 124 ARG HB3 H 1.897 0.015 1 1428 124 124 ARG HD2 H 3.156 0.015 1 1429 124 124 ARG HD3 H 3.156 0.015 1 1430 124 124 ARG HG2 H 1.635 0.015 1 1431 124 124 ARG HG3 H 1.776 0.015 1 1432 124 124 ARG C C 178.298 0.25 1 1433 124 124 ARG CA C 56.820 0.25 1 1434 124 124 ARG CB C 29.080 0.25 1 1435 124 124 ARG CD C 41.789 0.25 1 1436 124 124 ARG CG C 26.067 0.25 1 1437 124 124 ARG N N 116.484 0.25 1 1438 125 125 ILE H H 7.459 0.015 1 1439 125 125 ILE HA H 4.323 0.015 1 1440 125 125 ILE HB H 1.961 0.015 1 1441 125 125 ILE HD1 H 0.590 0.015 1 1442 125 125 ILE HG12 H 1.242 0.015 1 1443 125 125 ILE HG13 H 1.282 0.015 1 1444 125 125 ILE HG2 H 0.765 0.015 1 1445 125 125 ILE C C 175.991 0.25 1 1446 125 125 ILE CA C 60.442 0.25 1 1447 125 125 ILE CB C 37.427 0.25 1 1448 125 125 ILE CD1 C 13.652 0.25 1 1449 125 125 ILE CG1 C 25.822 0.25 1 1450 125 125 ILE CG2 C 16.560 0.25 1 1451 125 125 ILE N N 111.764 0.25 1 1452 126 126 GLY H H 7.549 0.015 1 1453 126 126 GLY HA2 H 3.675 0.015 1 1454 126 126 GLY HA3 H 4.048 0.015 1 1455 126 126 GLY C C 174.672 0.25 1 1456 126 126 GLY CA C 45.417 0.25 1 1457 126 126 GLY N N 109.201 0.25 1 1458 127 127 ILE H H 7.947 0.015 1 1459 127 127 ILE HA H 4.117 0.015 1 1460 127 127 ILE HB H 1.208 0.015 1 1461 127 127 ILE HD1 H 0.286 0.015 1 1462 127 127 ILE HG12 H 0.822 0.015 1 1463 127 127 ILE HG13 H 0.822 0.015 1 1464 127 127 ILE HG2 H 0.489 0.015 1 1465 127 127 ILE C C 176.310 0.25 1 1466 127 127 ILE CA C 59.814 0.25 1 1467 127 127 ILE CB C 39.174 0.25 1 1468 127 127 ILE CD1 C 12.540 0.25 1 1469 127 127 ILE CG1 C 26.882 0.25 1 1470 127 127 ILE CG2 C 16.954 0.25 1 1471 127 127 ILE N N 122.112 0.25 1 1472 128 128 THR H H 8.499 0.015 1 1473 128 128 THR HA H 4.198 0.015 1 1474 128 128 THR HB H 4.189 0.015 1 1475 128 128 THR HG2 H 1.142 0.015 1 1476 128 128 THR CA C 62.572 0.25 1 1477 128 128 THR CB C 68.349 0.25 1 1478 128 128 THR CG2 C 21.030 0.25 1 1479 128 128 THR N N 119.712 0.25 1 1480 129 129 ASN H H 8.685 0.015 1 1481 129 129 ASN HA H 4.904 0.015 1 1482 129 129 ASN HB2 H 2.793 0.015 1 1483 129 129 ASN HB3 H 2.696 0.015 1 1484 129 129 ASN HD21 H 7.702 0.015 1 1485 129 129 ASN HD22 H 6.654 0.015 1 1486 129 129 ASN CA C 51.556 0.25 1 1487 129 129 ASN CB C 34.882 0.25 1 1488 129 129 ASN N N 121.134 0.25 1 1489 129 129 ASN ND2 N 111.534 0.25 1 1490 130 130 HIS H H 7.690 0.015 1 1491 130 130 HIS HA H 4.383 0.015 1 1492 130 130 HIS HB2 H 2.930 0.015 1 1493 130 130 HIS HB3 H 3.054 0.015 1 1494 130 130 HIS HD2 H 7.075 0.015 1 1495 130 130 HIS HE1 H 7.839 0.015 1 1496 130 130 HIS CA C 57.956 0.25 1 1497 130 130 HIS CB C 29.821 0.25 1 1498 130 130 HIS CD2 C 120.009 0.25 1 1499 130 130 HIS CE1 C 138.899 0.25 1 1500 130 130 HIS N N 118.465 0.25 1 1501 131 131 ASP H H 8.010 0.015 1 1502 131 131 ASP HA H 4.447 0.015 1 1503 131 131 ASP HB2 H 2.401 0.015 1 1504 131 131 ASP HB3 H 2.484 0.015 1 1505 131 131 ASP C C 177.180 0.25 1 1506 131 131 ASP CA C 54.803 0.25 1 1507 131 131 ASP CB C 39.230 0.25 1 1508 131 131 ASP N N 117.596 0.25 1 1509 132 132 GLU H H 7.665 0.015 1 1510 132 132 GLU HA H 4.188 0.015 1 1511 132 132 GLU HB2 H 1.840 0.015 1 1512 132 132 GLU HB3 H 2.107 0.015 1 1513 132 132 GLU HG2 H 1.819 0.015 1 1514 132 132 GLU HG3 H 2.112 0.015 1 1515 132 132 GLU C C 175.395 0.25 1 1516 132 132 GLU CA C 56.003 0.25 1 1517 132 132 GLU CB C 29.293 0.25 1 1518 132 132 GLU CG C 37.183 0.25 1 1519 132 132 GLU N N 116.364 0.25 1 1520 133 133 TYR H H 7.828 0.015 1 1521 133 133 TYR HA H 4.725 0.015 1 1522 133 133 TYR HB2 H 2.800 0.015 1 1523 133 133 TYR HB3 H 2.800 0.015 1 1524 133 133 TYR HD1 H 6.864 0.015 3 1525 133 133 TYR HD2 H 6.864 0.015 3 1526 133 133 TYR HE1 H 6.641 0.015 3 1527 133 133 TYR HE2 H 6.641 0.015 3 1528 133 133 TYR C C 174.118 0.25 1 1529 133 133 TYR CA C 57.783 0.25 1 1530 133 133 TYR CB C 41.530 0.25 1 1531 133 133 TYR CD1 C 132.624 0.25 3 1532 133 133 TYR CD2 C 132.624 0.25 3 1533 133 133 TYR CE1 C 118.204 0.25 3 1534 133 133 TYR CE2 C 118.204 0.25 3 1535 133 133 TYR N N 118.681 0.25 1 1536 134 134 SER H H 8.862 0.015 1 1537 134 134 SER HA H 4.614 0.015 1 1538 134 134 SER HB2 H 3.699 0.015 1 1539 134 134 SER HB3 H 3.728 0.015 1 1540 134 134 SER C C 172.574 0.25 1 1541 134 134 SER CA C 55.913 0.25 1 1542 134 134 SER CB C 63.594 0.25 1 1543 134 134 SER N N 112.143 0.25 1 1544 135 135 LEU H H 8.898 0.015 1 1545 135 135 LEU HA H 5.577 0.015 1 1546 135 135 LEU HB2 H 1.158 0.015 1 1547 135 135 LEU HB3 H 1.472 0.015 1 1548 135 135 LEU HD1 H 0.739 0.015 1 1549 135 135 LEU HD2 H 0.636 0.015 1 1550 135 135 LEU C C 175.460 0.25 1 1551 135 135 LEU CA C 52.194 0.25 1 1552 135 135 LEU CB C 46.074 0.25 1 1553 135 135 LEU CD1 C 23.245 0.25 1 1554 135 135 LEU CD2 C 24.803 0.25 1 1555 135 135 LEU N N 119.668 0.25 1 1556 136 136 VAL H H 8.794 0.015 1 1557 136 136 VAL HA H 4.389 0.015 1 1558 136 136 VAL HB H 1.659 0.015 1 1559 136 136 VAL HG1 H 0.227 0.015 1 1560 136 136 VAL HG2 H 0.483 0.015 1 1561 136 136 VAL C C 175.326 0.25 1 1562 136 136 VAL CA C 59.008 0.25 1 1563 136 136 VAL CB C 34.670 0.25 1 1564 136 136 VAL CG1 C 20.913 0.25 1 1565 136 136 VAL CG2 C 20.995 0.25 1 1566 136 136 VAL N N 119.224 0.25 1 1567 137 137 ARG H H 8.420 0.015 1 1568 137 137 ARG HA H 4.435 0.015 1 1569 137 137 ARG HB2 H 1.991 0.015 1 1570 137 137 ARG HB3 H 1.535 0.015 1 1571 137 137 ARG HD2 H 2.952 0.015 1 1572 137 137 ARG HD3 H 3.064 0.015 1 1573 137 137 ARG HE H 9.032 0.015 1 1574 137 137 ARG C C 175.792 0.25 1 1575 137 137 ARG CA C 54.983 0.25 1 1576 137 137 ARG CB C 31.415 0.25 1 1577 137 137 ARG CD C 43.457 0.25 1 1578 137 137 ARG N N 124.090 0.25 1 1579 137 137 ARG NE N 84.163 0.25 1 1580 138 138 GLU H H 8.624 0.015 1 1581 138 138 GLU HA H 4.108 0.015 1 1582 138 138 GLU HB2 H 1.936 0.015 1 1583 138 138 GLU HB3 H 1.835 0.015 1 1584 138 138 GLU HG2 H 2.008 0.015 1 1585 138 138 GLU HG3 H 2.116 0.015 1 1586 138 138 GLU CA C 56.814 0.25 1 1587 138 138 GLU CB C 29.755 0.25 1 1588 138 138 GLU CG C 36.266 0.25 1 1589 138 138 GLU N N 124.907 0.25 1 1590 139 139 LEU H H 8.193 0.015 1 1591 139 139 LEU HA H 4.302 0.015 1 1592 139 139 LEU HB2 H 1.571 0.015 1 1593 139 139 LEU HB3 H 1.483 0.015 1 1594 139 139 LEU HD1 H 0.789 0.015 1 1595 139 139 LEU HD2 H 0.825 0.015 1 1596 139 139 LEU HG H 1.502 0.015 1 1597 139 139 LEU C C 177.083 0.25 1 1598 139 139 LEU CA C 54.443 0.25 1 1599 139 139 LEU CB C 41.929 0.25 1 1600 139 139 LEU CD1 C 22.912 0.25 1 1601 139 139 LEU CD2 C 24.271 0.25 1 1602 139 139 LEU CG C 26.354 0.25 1 1603 139 139 LEU N N 122.038 0.25 1 1604 140 140 MET H H 8.178 0.015 1 1605 140 140 MET HA H 4.426 0.015 1 1606 140 140 MET HB2 H 2.040 0.015 1 1607 140 140 MET HB3 H 1.916 0.015 1 1608 140 140 MET HE H 1.998 0.015 1 1609 140 140 MET HG2 H 2.414 0.015 1 1610 140 140 MET HG3 H 2.549 0.015 1 1611 140 140 MET C C 176.392 0.25 1 1612 140 140 MET CA C 54.683 0.25 1 1613 140 140 MET CB C 32.103 0.25 1 1614 140 140 MET CE C 16.523 0.25 1 1615 140 140 MET CG C 31.572 0.25 1 1616 140 140 MET N N 120.100 0.25 1 1617 141 141 GLU H H 8.274 0.015 1 1618 141 141 GLU HA H 4.134 0.015 1 1619 141 141 GLU HB2 H 1.898 0.015 1 1620 141 141 GLU HB3 H 1.981 0.015 1 1621 141 141 GLU HG2 H 2.149 0.015 1 1622 141 141 GLU HG3 H 2.149 0.015 1 1623 141 141 GLU C C 176.501 0.25 1 1624 141 141 GLU CA C 56.394 0.25 1 1625 141 141 GLU CB C 29.461 0.25 1 1626 141 141 GLU CG C 35.612 0.25 1 1627 141 141 GLU N N 121.228 0.25 1 1628 142 142 GLU H H 8.368 0.015 1 1629 142 142 GLU HA H 4.125 0.015 1 1630 142 142 GLU HB2 H 1.982 0.015 1 1631 142 142 GLU HB3 H 1.896 0.015 1 1632 142 142 GLU HG2 H 2.140 0.015 1 1633 142 142 GLU HG3 H 2.191 0.015 1 1634 142 142 GLU C C 176.463 0.25 1 1635 142 142 GLU CA C 56.389 0.25 1 1636 142 142 GLU CB C 29.325 0.25 1 1637 142 142 GLU CG C 35.606 0.25 1 1638 142 142 GLU N N 120.295 0.25 1 1639 143 143 LYS H H 8.141 0.015 1 1640 143 143 LYS HA H 4.261 0.015 1 1641 143 143 LYS HB2 H 1.685 0.015 1 1642 143 143 LYS HB3 H 1.811 0.015 1 1643 143 143 LYS HD2 H 1.599 0.015 1 1644 143 143 LYS HD3 H 1.599 0.015 1 1645 143 143 LYS HE2 H 2.911 0.015 1 1646 143 143 LYS HE3 H 2.911 0.015 1 1647 143 143 LYS HG2 H 1.305 0.015 1 1648 143 143 LYS HG3 H 1.360 0.015 1 1649 143 143 LYS C C 176.395 0.25 1 1650 143 143 LYS CA C 55.335 0.25 1 1651 143 143 LYS CB C 31.926 0.25 1 1652 143 143 LYS CD C 28.306 0.25 1 1653 143 143 LYS CE C 41.492 0.25 1 1654 143 143 LYS CG C 24.200 0.25 1 1655 143 143 LYS N N 120.944 0.25 1 1656 144 144 LYS H H 8.092 0.015 1 1657 144 144 LYS HA H 4.195 0.015 1 1658 144 144 LYS HB2 H 1.701 0.015 1 1659 144 144 LYS HB3 H 1.775 0.015 1 1660 144 144 LYS HD2 H 1.593 0.015 1 1661 144 144 LYS HD3 H 1.593 0.015 1 1662 144 144 LYS HE2 H 2.905 0.015 1 1663 144 144 LYS HE3 H 2.905 0.015 1 1664 144 144 LYS HG2 H 1.311 0.015 1 1665 144 144 LYS HG3 H 1.347 0.015 1 1666 144 144 LYS C C 176.287 0.25 1 1667 144 144 LYS CA C 56.032 0.25 1 1668 144 144 LYS CB C 32.163 0.25 1 1669 144 144 LYS CD C 28.339 0.25 1 1670 144 144 LYS CE C 41.431 0.25 1 1671 144 144 LYS CG C 23.832 0.25 1 1672 144 144 LYS N N 121.137 0.25 1 1673 175 175 ASP H H 8.327 0.015 1 1674 175 175 ASP HA H 4.454 0.015 1 1675 175 175 ASP HB2 H 2.602 0.015 1 1676 175 175 ASP HB3 H 2.660 0.015 1 1677 175 175 ASP CA C 54.161 0.25 1 1678 175 175 ASP CB C 40.146 0.25 1 1679 175 175 ASP N N 119.499 0.25 1 1680 176 176 GLU H H 7.892 0.015 1 1681 176 176 GLU HA H 4.213 0.015 1 1682 176 176 GLU HB2 H 1.797 0.015 1 1683 176 176 GLU HB3 H 1.938 0.015 1 1684 176 176 GLU HG2 H 2.133 0.015 1 1685 176 176 GLU HG3 H 2.133 0.015 1 1686 176 176 GLU C C 175.886 0.25 1 1687 176 176 GLU CA C 55.479 0.25 1 1688 176 176 GLU CB C 30.135 0.25 1 1689 176 176 GLU CG C 35.418 0.25 1 1690 176 176 GLU N N 119.513 0.25 1 1691 177 177 LEU H H 8.196 0.015 1 1692 177 177 LEU HA H 4.142 0.015 1 1693 177 177 LEU HB2 H 1.343 0.015 1 1694 177 177 LEU HB3 H 0.852 0.015 1 1695 177 177 LEU HD1 H 0.691 0.015 1 1696 177 177 LEU HD2 H 0.616 0.015 1 1697 177 177 LEU HG H 1.431 0.015 1 1698 177 177 LEU C C 176.774 0.25 1 1699 177 177 LEU CA C 53.987 0.25 1 1700 177 177 LEU CB C 41.307 0.25 1 1701 177 177 LEU CD1 C 24.608 0.25 1 1702 177 177 LEU CD2 C 22.545 0.25 1 1703 177 177 LEU CG C 26.291 0.25 1 1704 177 177 LEU N N 122.116 0.25 1 1705 178 178 ASN H H 8.332 0.015 1 1706 178 178 ASN HA H 4.766 0.015 1 1707 178 178 ASN HB2 H 2.842 0.015 1 1708 178 178 ASN HB3 H 2.622 0.015 1 1709 178 178 ASN HD21 H 7.401 0.015 1 1710 178 178 ASN HD22 H 6.991 0.015 1 1711 178 178 ASN C C 174.431 0.25 1 1712 178 178 ASN CA C 51.661 0.25 1 1713 178 178 ASN CB C 37.793 0.25 1 1714 178 178 ASN N N 120.377 0.25 1 1715 178 178 ASN ND2 N 112.373 0.25 1 1716 179 179 TRP H H 7.684 0.015 1 1717 179 179 TRP HA H 4.657 0.015 1 1718 179 179 TRP HB2 H 2.994 0.015 1 1719 179 179 TRP HB3 H 3.548 0.015 1 1720 179 179 TRP HD1 H 7.262 0.015 1 1721 179 179 TRP HE1 H 10.156 0.015 1 1722 179 179 TRP HE3 H 7.566 0.015 1 1723 179 179 TRP HH2 H 6.848 0.015 1 1724 179 179 TRP HZ2 H 7.340 0.015 1 1725 179 179 TRP HZ3 H 6.722 0.015 1 1726 179 179 TRP C C 177.342 0.25 1 1727 179 179 TRP CA C 56.373 0.25 1 1728 179 179 TRP CB C 29.174 0.25 1 1729 179 179 TRP CD1 C 127.992 0.25 1 1730 179 179 TRP CE3 C 121.638 0.25 1 1731 179 179 TRP CH2 C 124.056 0.25 1 1732 179 179 TRP CZ2 C 114.467 0.25 1 1733 179 179 TRP CZ3 C 121.700 0.25 1 1734 179 179 TRP N N 122.671 0.25 1 1735 179 179 TRP NE1 N 129.745 0.25 1 1736 180 180 LEU H H 8.450 0.015 1 1737 180 180 LEU HA H 4.267 0.015 1 1738 180 180 LEU HB2 H 1.254 0.015 1 1739 180 180 LEU HB3 H 1.649 0.015 1 1740 180 180 LEU HD1 H 0.665 0.015 1 1741 180 180 LEU HD2 H 0.678 0.015 1 1742 180 180 LEU C C 176.114 0.25 1 1743 180 180 LEU CA C 53.948 0.25 1 1744 180 180 LEU CB C 42.221 0.25 1 1745 180 180 LEU CD1 C 26.007 0.25 1 1746 180 180 LEU CD2 C 23.013 0.25 1 1747 180 180 LEU N N 122.738 0.25 1 1748 181 181 ASP H H 9.108 0.015 1 1749 181 181 ASP HA H 4.656 0.015 1 1750 181 181 ASP HB2 H 2.612 0.015 1 1751 181 181 ASP HB3 H 2.612 0.015 1 1752 181 181 ASP C C 178.655 0.25 1 1753 181 181 ASP CA C 52.707 0.25 1 1754 181 181 ASP CB C 40.545 0.25 1 1755 181 181 ASP N N 122.214 0.25 1 1756 182 182 HIS H H 9.309 0.015 1 1757 182 182 HIS HA H 4.257 0.015 1 1758 182 182 HIS HB2 H 3.020 0.015 1 1759 182 182 HIS HB3 H 3.519 0.015 1 1760 182 182 HIS HD2 H 6.917 0.015 1 1761 182 182 HIS HE1 H 8.032 0.015 1 1762 182 182 HIS C C 176.278 0.25 1 1763 182 182 HIS CA C 58.045 0.25 1 1764 182 182 HIS CB C 27.388 0.25 1 1765 182 182 HIS CD2 C 124.096 0.25 1 1766 182 182 HIS CE1 C 138.814 0.25 1 1767 182 182 HIS N N 126.533 0.25 1 1768 183 183 GLY H H 8.778 0.015 1 1769 183 183 GLY HA2 H 3.718 0.015 1 1770 183 183 GLY HA3 H 4.371 0.015 1 1771 183 183 GLY C C 173.422 0.25 1 1772 183 183 GLY CA C 44.444 0.25 1 1773 183 183 GLY N N 105.791 0.25 1 1774 184 184 ARG H H 7.019 0.015 1 1775 184 184 ARG HA H 4.885 0.015 1 1776 184 184 ARG HB3 H 2.009 0.015 1 1777 184 184 ARG HD2 H 3.042 0.015 1 1778 184 184 ARG HD3 H 3.087 0.015 1 1779 184 184 ARG HG2 H 1.621 0.015 1 1780 184 184 ARG HG3 H 1.510 0.015 1 1781 184 184 ARG C C 176.139 0.25 1 1782 184 184 ARG CA C 53.241 0.25 1 1783 184 184 ARG CB C 35.238 0.25 1 1784 184 184 ARG CD C 43.447 0.25 1 1785 184 184 ARG CG C 27.040 0.25 1 1786 184 184 ARG N N 117.482 0.25 1 1787 185 185 THR H H 9.374 0.015 1 1788 185 185 THR HA H 4.582 0.015 1 1789 185 185 THR HB H 4.712 0.015 1 1790 185 185 THR HG2 H 1.179 0.015 1 1791 185 185 THR C C 177.214 0.25 1 1792 185 185 THR CA C 60.632 0.25 1 1793 185 185 THR CB C 70.447 0.25 1 1794 185 185 THR CG2 C 20.713 0.25 1 1795 185 185 THR N N 112.324 0.25 1 1796 186 186 LEU H H 8.968 0.015 1 1797 186 186 LEU HA H 3.840 0.015 1 1798 186 186 LEU HB2 H 1.916 0.015 1 1799 186 186 LEU HB3 H 1.158 0.015 1 1800 186 186 LEU HD1 H 0.738 0.015 1 1801 186 186 LEU HD2 H 0.592 0.015 1 1802 186 186 LEU HG H 1.677 0.015 1 1803 186 186 LEU CA C 57.411 0.25 1 1804 186 186 LEU CB C 40.241 0.25 1 1805 186 186 LEU CD1 C 26.319 0.25 1 1806 186 186 LEU CD2 C 23.589 0.25 1 1807 186 186 LEU CG C 25.557 0.25 1 1808 186 186 LEU N N 121.884 0.25 1 1809 187 187 ARG H H 8.745 0.015 1 1810 187 187 ARG HA H 3.975 0.015 1 1811 187 187 ARG HB2 H 2.093 0.015 1 1812 187 187 ARG HB3 H 1.807 0.015 1 1813 187 187 ARG HD2 H 3.413 0.015 1 1814 187 187 ARG HD3 H 3.205 0.015 1 1815 187 187 ARG HE H 7.990 0.015 1 1816 187 187 ARG HG2 H 1.537 0.015 1 1817 187 187 ARG HG3 H 1.615 0.015 1 1818 187 187 ARG CA C 58.516 0.25 1 1819 187 187 ARG CB C 29.620 0.25 1 1820 187 187 ARG CD C 42.209 0.25 1 1821 187 187 ARG CG C 26.606 0.25 1 1822 187 187 ARG N N 120.297 0.25 1 1823 187 187 ARG NE N 84.057 0.25 1 1824 188 188 GLU H H 8.009 0.015 1 1825 188 188 GLU HA H 4.381 0.015 1 1826 188 188 GLU HB2 H 1.935 0.015 1 1827 188 188 GLU HB3 H 2.322 0.015 1 1828 188 188 GLU HG2 H 2.564 0.015 1 1829 188 188 GLU HG3 H 2.229 0.015 1 1830 188 188 GLU C C 176.811 0.25 1 1831 188 188 GLU CA C 57.589 0.25 1 1832 188 188 GLU CB C 29.326 0.25 1 1833 188 188 GLU CG C 36.651 0.25 1 1834 188 188 GLU N N 117.638 0.25 1 1835 189 189 GLN H H 7.165 0.015 1 1836 189 189 GLN HA H 4.488 0.015 1 1837 189 189 GLN HB2 H 2.152 0.015 1 1838 189 189 GLN HB3 H 2.060 0.015 1 1839 189 189 GLN HE21 H 6.508 0.015 1 1840 189 189 GLN HE22 H 7.281 0.015 1 1841 189 189 GLN HG2 H 2.254 0.015 1 1842 189 189 GLN HG3 H 2.531 0.015 1 1843 189 189 GLN C C 175.238 0.25 1 1844 189 189 GLN CA C 54.683 0.25 1 1845 189 189 GLN CB C 29.471 0.25 1 1846 189 189 GLN CG C 34.757 0.25 1 1847 189 189 GLN N N 114.700 0.25 1 1848 189 189 GLN NE2 N 112.701 0.25 1 1849 190 190 GLY H H 7.710 0.015 1 1850 190 190 GLY HA2 H 3.662 0.015 1 1851 190 190 GLY HA3 H 4.055 0.015 1 1852 190 190 GLY C C 173.694 0.25 1 1853 190 190 GLY CA C 45.261 0.25 1 1854 190 190 GLY N N 106.775 0.25 1 1855 191 191 VAL H H 7.347 0.015 1 1856 191 191 VAL HA H 3.841 0.015 1 1857 191 191 VAL HB H 1.684 0.015 1 1858 191 191 VAL HG1 H 0.695 0.015 1 1859 191 191 VAL HG2 H 0.733 0.015 1 1860 191 191 VAL C C 176.474 0.25 1 1861 191 191 VAL CA C 61.676 0.25 1 1862 191 191 VAL CB C 30.352 0.25 1 1863 191 191 VAL CG1 C 20.726 0.25 1 1864 191 191 VAL CG2 C 20.663 0.25 1 1865 191 191 VAL N N 119.571 0.25 1 1866 192 192 GLU H H 8.796 0.015 1 1867 192 192 GLU HA H 4.329 0.015 1 1868 192 192 GLU HB2 H 2.147 0.015 1 1869 192 192 GLU HB3 H 1.684 0.015 1 1870 192 192 GLU HG2 H 2.181 0.015 1 1871 192 192 GLU HG3 H 2.388 0.015 1 1872 192 192 GLU CA C 55.481 0.25 1 1873 192 192 GLU CB C 30.768 0.25 1 1874 192 192 GLU CG C 36.317 0.25 1 1875 192 192 GLU N N 130.539 0.25 1 1876 193 193 GLU H H 9.143 0.015 1 1877 193 193 GLU HA H 3.831 0.015 1 1878 193 193 GLU HB2 H 1.907 0.015 1 1879 193 193 GLU HB3 H 1.907 0.015 1 1880 193 193 GLU HG2 H 2.049 0.015 1 1881 193 193 GLU HG3 H 2.211 0.015 1 1882 193 193 GLU CA C 59.208 0.25 1 1883 193 193 GLU CB C 28.809 0.25 1 1884 193 193 GLU CG C 36.365 0.25 1 1885 193 193 GLU N N 120.964 0.25 1 1886 194 194 HIS H H 7.568 0.015 1 1887 194 194 HIS HA H 4.518 0.015 1 1888 194 194 HIS HB2 H 3.235 0.015 1 1889 194 194 HIS HB3 H 2.971 0.015 1 1890 194 194 HIS HD2 H 6.986 0.015 1 1891 194 194 HIS HE1 H 7.812 0.015 1 1892 194 194 HIS C C 175.731 0.25 1 1893 194 194 HIS CA C 55.194 0.25 1 1894 194 194 HIS CB C 29.453 0.25 1 1895 194 194 HIS CD2 C 118.642 0.25 1 1896 194 194 HIS CE1 C 139.138 0.25 1 1897 194 194 HIS N N 112.743 0.25 1 1898 195 195 GLU H H 6.934 0.015 1 1899 195 195 GLU HA H 3.989 0.015 1 1900 195 195 GLU HB2 H 1.791 0.015 1 1901 195 195 GLU HB3 H 1.848 0.015 1 1902 195 195 GLU HG2 H 1.845 0.015 1 1903 195 195 GLU HG3 H 2.004 0.015 1 1904 195 195 GLU C C 175.882 0.25 1 1905 195 195 GLU CA C 56.928 0.25 1 1906 195 195 GLU CB C 30.167 0.25 1 1907 195 195 GLU CG C 37.148 0.25 1 1908 195 195 GLU N N 121.524 0.25 1 1909 196 196 THR H H 8.614 0.015 1 1910 196 196 THR HA H 4.554 0.015 1 1911 196 196 THR HB H 3.894 0.015 1 1912 196 196 THR HG2 H 0.927 0.015 1 1913 196 196 THR C C 174.236 0.25 1 1914 196 196 THR CA C 61.659 0.25 1 1915 196 196 THR CB C 68.696 0.25 1 1916 196 196 THR CG2 C 21.664 0.25 1 1917 196 196 THR N N 120.901 0.25 1 1918 197 197 LEU H H 8.438 0.015 1 1919 197 197 LEU HA H 4.900 0.015 1 1920 197 197 LEU HB2 H 1.616 0.015 1 1921 197 197 LEU HB3 H 1.244 0.015 1 1922 197 197 LEU HD1 H 0.779 0.015 1 1923 197 197 LEU HD2 H 0.749 0.015 1 1924 197 197 LEU HG H 1.612 0.015 1 1925 197 197 LEU C C 174.737 0.25 1 1926 197 197 LEU CA C 51.991 0.25 1 1927 197 197 LEU CB C 43.627 0.25 1 1928 197 197 LEU CD1 C 26.865 0.25 1 1929 197 197 LEU CD2 C 23.006 0.25 1 1930 197 197 LEU CG C 26.725 0.25 1 1931 197 197 LEU N N 126.402 0.25 1 1932 198 198 LEU H H 9.085 0.015 1 1933 198 198 LEU HA H 4.707 0.015 1 1934 198 198 LEU HB2 H 1.401 0.015 1 1935 198 198 LEU HB3 H 1.555 0.015 1 1936 198 198 LEU HD1 H 0.716 0.015 1 1937 198 198 LEU HD2 H 0.699 0.015 1 1938 198 198 LEU HG H 1.370 0.015 1 1939 198 198 LEU C C 175.830 0.25 1 1940 198 198 LEU CA C 53.569 0.25 1 1941 198 198 LEU CB C 42.408 0.25 1 1942 198 198 LEU CD1 C 23.652 0.25 1 1943 198 198 LEU CD2 C 24.456 0.25 1 1944 198 198 LEU CG C 26.815 0.25 1 1945 198 198 LEU N N 120.978 0.25 1 1946 199 199 LEU H H 7.894 0.015 1 1947 199 199 LEU HA H 4.871 0.015 1 1948 199 199 LEU HB2 H 1.018 0.015 1 1949 199 199 LEU HB3 H 1.851 0.015 1 1950 199 199 LEU HD1 H 0.573 0.015 1 1951 199 199 LEU HD2 H 0.728 0.015 1 1952 199 199 LEU HG H 1.371 0.015 1 1953 199 199 LEU C C 175.915 0.25 1 1954 199 199 LEU CA C 53.844 0.25 1 1955 199 199 LEU CB C 42.711 0.25 1 1956 199 199 LEU CD1 C 25.916 0.25 1 1957 199 199 LEU CD2 C 23.669 0.25 1 1958 199 199 LEU CG C 26.705 0.25 1 1959 199 199 LEU N N 125.649 0.25 1 1960 200 200 ARG H H 8.651 0.015 1 1961 200 200 ARG HA H 4.729 0.015 1 1962 200 200 ARG HB2 H 1.501 0.015 1 1963 200 200 ARG HB3 H 1.713 0.015 1 1964 200 200 ARG HD2 H 3.014 0.015 1 1965 200 200 ARG HD3 H 2.973 0.015 1 1966 200 200 ARG HE H 7.334 0.015 1 1967 200 200 ARG HG2 H 1.434 0.015 1 1968 200 200 ARG HG3 H 1.434 0.015 1 1969 200 200 ARG C C 174.367 0.25 1 1970 200 200 ARG CA C 53.336 0.25 1 1971 200 200 ARG CB C 33.944 0.25 1 1972 200 200 ARG CD C 42.532 0.25 1 1973 200 200 ARG CG C 26.113 0.25 1 1974 200 200 ARG N N 125.976 0.25 1 1975 200 200 ARG NE N 84.612 0.25 1 1976 201 201 ARG H H 8.791 0.015 1 1977 201 201 ARG HA H 3.594 0.015 1 1978 201 201 ARG HB2 H 1.183 0.015 1 1979 201 201 ARG HB3 H 1.512 0.015 1 1980 201 201 ARG HD2 H 2.688 0.015 1 1981 201 201 ARG HD3 H 2.688 0.015 1 1982 201 201 ARG HE H 6.728 0.015 1 1983 201 201 ARG HG2 H 0.796 0.015 1 1984 201 201 ARG HG3 H 0.796 0.015 1 1985 201 201 ARG C C 175.180 0.25 1 1986 201 201 ARG CA C 56.117 0.25 1 1987 201 201 ARG CB C 29.611 0.25 1 1988 201 201 ARG CD C 42.722 0.25 1 1989 201 201 ARG CG C 26.761 0.25 1 1990 201 201 ARG N N 125.049 0.25 1 1991 201 201 ARG NE N 84.237 0.25 1 1992 202 202 LYS H H 8.351 0.015 1 1993 202 202 LYS HA H 3.773 0.015 1 1994 202 202 LYS HB2 H 0.900 0.015 1 1995 202 202 LYS HB3 H 0.823 0.015 1 1996 202 202 LYS HD2 H 0.882 0.015 1 1997 202 202 LYS HD3 H 0.541 0.015 1 1998 202 202 LYS HE2 H 1.952 0.015 1 1999 202 202 LYS HE3 H 2.209 0.015 1 2000 202 202 LYS HG2 H 0.094 0.015 1 2001 202 202 LYS HG3 H 0.174 0.015 1 2002 202 202 LYS C C 175.375 0.25 1 2003 202 202 LYS CA C 56.315 0.25 1 2004 202 202 LYS CB C 33.739 0.25 1 2005 202 202 LYS CD C 28.598 0.25 1 2006 202 202 LYS CE C 40.969 0.25 1 2007 202 202 LYS CG C 24.316 0.25 1 2008 202 202 LYS N N 126.872 0.25 1 2009 203 203 PHE H H 7.548 0.015 1 2010 203 203 PHE HA H 4.469 0.015 1 2011 203 203 PHE HB2 H 2.426 0.015 1 2012 203 203 PHE HB3 H 2.681 0.015 1 2013 203 203 PHE HD1 H 7.013 0.015 3 2014 203 203 PHE HD2 H 7.013 0.015 3 2015 203 203 PHE HE1 H 7.104 0.015 3 2016 203 203 PHE HE2 H 7.104 0.015 3 2017 203 203 PHE HZ H 6.965 0.015 1 2018 203 203 PHE C C 174.141 0.25 1 2019 203 203 PHE CA C 55.556 0.25 1 2020 203 203 PHE CB C 40.283 0.25 1 2021 203 203 PHE CD1 C 131.855 0.25 3 2022 203 203 PHE CD2 C 131.855 0.25 3 2023 203 203 PHE CE1 C 131.268 0.25 3 2024 203 203 PHE CE2 C 131.268 0.25 3 2025 203 203 PHE CZ C 128.600 0.25 1 2026 203 203 PHE N N 117.606 0.25 1 2027 204 204 PHE H H 8.160 0.015 1 2028 204 204 PHE HA H 4.407 0.015 1 2029 204 204 PHE HB2 H 2.680 0.015 1 2030 204 204 PHE HB3 H 2.950 0.015 1 2031 204 204 PHE HD1 H 6.965 0.015 3 2032 204 204 PHE HD2 H 6.965 0.015 3 2033 204 204 PHE HE1 H 7.099 0.015 3 2034 204 204 PHE HE2 H 7.099 0.015 3 2035 204 204 PHE C C 175.386 0.25 1 2036 204 204 PHE CA C 56.506 0.25 1 2037 204 204 PHE CB C 38.788 0.25 1 2038 204 204 PHE CD1 C 131.671 0.25 3 2039 204 204 PHE CD2 C 131.671 0.25 3 2040 204 204 PHE CE1 C 129.394 0.25 3 2041 204 204 PHE CE2 C 129.394 0.25 3 2042 204 204 PHE N N 120.031 0.25 1 2043 205 205 TYR H H 7.831 0.015 1 2044 205 205 TYR HA H 4.473 0.015 1 2045 205 205 TYR HB2 H 2.964 0.015 1 2046 205 205 TYR HB3 H 2.795 0.015 1 2047 205 205 TYR HD1 H 6.970 0.015 3 2048 205 205 TYR HD2 H 6.970 0.015 3 2049 205 205 TYR HE1 H 6.613 0.015 3 2050 205 205 TYR HE2 H 6.613 0.015 3 2051 205 205 TYR C C 176.394 0.25 1 2052 205 205 TYR CA C 56.963 0.25 1 2053 205 205 TYR CB C 37.909 0.25 1 2054 205 205 TYR CD1 C 132.886 0.25 3 2055 205 205 TYR CD2 C 132.886 0.25 3 2056 205 205 TYR CE1 C 118.228 0.25 3 2057 205 205 TYR CE2 C 118.228 0.25 3 2058 205 205 TYR N N 121.208 0.25 1 2059 206 206 SER H H 8.261 0.015 1 2060 206 206 SER HA H 4.348 0.015 1 2061 206 206 SER HB2 H 3.821 0.015 1 2062 206 206 SER HB3 H 3.710 0.015 1 2063 206 206 SER C C 174.577 0.25 1 2064 206 206 SER CA C 57.683 0.25 1 2065 206 206 SER CB C 63.201 0.25 1 2066 206 206 SER N N 116.555 0.25 1 2067 207 207 ASP H H 8.156 0.015 1 2068 207 207 ASP HA H 4.582 0.015 1 2069 207 207 ASP HB2 H 2.603 0.015 1 2070 207 207 ASP HB3 H 2.672 0.015 1 2071 207 207 ASP C C 175.425 0.25 1 2072 207 207 ASP CA C 53.689 0.25 1 2073 207 207 ASP CB C 40.200 0.25 1 2074 207 207 ASP N N 122.100 0.25 1 2075 208 208 GLN H H 7.717 0.015 1 2076 208 208 GLN HA H 4.068 0.015 1 2077 208 208 GLN HB2 H 2.043 0.015 1 2078 208 208 GLN HB3 H 1.833 0.015 1 2079 208 208 GLN HE21 H 6.689 0.015 1 2080 208 208 GLN HE22 H 7.440 0.015 1 2081 208 208 GLN HG2 H 2.210 0.015 1 2082 208 208 GLN HG3 H 2.210 0.015 1 2083 208 208 GLN CA C 56.582 0.25 1 2084 208 208 GLN CB C 29.767 0.25 1 2085 208 208 GLN CG C 33.544 0.25 1 2086 208 208 GLN N N 124.403 0.25 1 2087 208 208 GLN NE2 N 112.488 0.25 1 stop_ save_