data_16912 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Delta subunit of RNA polymerase from Bacillus subtilis ; _BMRB_accession_number 16912 _BMRB_flat_file_name bmr16912.str _Entry_type original _Submission_date 2010-05-03 _Accession_date 2010-05-03 _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 Motackova Veronika . . 2 Novacek Jiri . . 3 Zawadska-Kazimierczuk Anna . . 4 Kazimierczuk Krzysztof . . 5 Zidek Lukas . . 6 Sanderova Hana . . 7 Krasny Libor . . 8 Kozminski Wiktor . . 9 Sklenar Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1017 "13C chemical shifts" 752 "15N chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-04 update BMRB 'update related entry' 2010-10-26 update BMRB 'update entry citation' 2010-10-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19284 'T1, T2, and NOE data' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Strategy for complete NMR assignment of disordered proteins with highly repetitive sequences based on resolution-enhanced 5D experiments.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20890634 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Motakova Veronika . . 2 Novaek Jii . . 3 Zawadzka-Kazimierczuk Anna . . 4 Kazimierczuk Krzysztof . . 5 Zidek Luka . . 6 Sanderova Hana . . 7 Krasny Libor . . 8 Komiski Wiktor . . 9 Sklena Vladimir . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 48 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 169 _Page_last 177 _Year 2010 _Details . loop_ _Keyword 'delta subunit' 'gram-positive bacteria' nmr 'NMR assignment' 'RNA polymerase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name delta _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label delta $delta stop_ _System_molecular_weight 20400 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_delta _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common delta _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; GIKQYSQEELKEMALVEIAH ELFEEHKKPVPFQELLNEIA SLLGVKKEELGDRIAQFYTD LNIDGRFLALSDQTWGLRSW YPYDQLDEETQPTVKAKKKK AKKAVEEDLDLDEFEEIDED DLDLDEVEEELDLEADDFDE EDLDEDDDDLEIEEDIIDED DEDYDDEEEEIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ILE 3 4 LYS 4 5 GLN 5 6 TYR 6 7 SER 7 8 GLN 8 9 GLU 9 10 GLU 10 11 LEU 11 12 LYS 12 13 GLU 13 14 MET 14 15 ALA 15 16 LEU 16 17 VAL 17 18 GLU 18 19 ILE 19 20 ALA 20 21 HIS 21 22 GLU 22 23 LEU 23 24 PHE 24 25 GLU 25 26 GLU 26 27 HIS 27 28 LYS 28 29 LYS 29 30 PRO 30 31 VAL 31 32 PRO 32 33 PHE 33 34 GLN 34 35 GLU 35 36 LEU 36 37 LEU 37 38 ASN 38 39 GLU 39 40 ILE 40 41 ALA 41 42 SER 42 43 LEU 43 44 LEU 44 45 GLY 45 46 VAL 46 47 LYS 47 48 LYS 48 49 GLU 49 50 GLU 50 51 LEU 51 52 GLY 52 53 ASP 53 54 ARG 54 55 ILE 55 56 ALA 56 57 GLN 57 58 PHE 58 59 TYR 59 60 THR 60 61 ASP 61 62 LEU 62 63 ASN 63 64 ILE 64 65 ASP 65 66 GLY 66 67 ARG 67 68 PHE 68 69 LEU 69 70 ALA 70 71 LEU 71 72 SER 72 73 ASP 73 74 GLN 74 75 THR 75 76 TRP 76 77 GLY 77 78 LEU 78 79 ARG 79 80 SER 80 81 TRP 81 82 TYR 82 83 PRO 83 84 TYR 84 85 ASP 85 86 GLN 86 87 LEU 87 88 ASP 88 89 GLU 89 90 GLU 90 91 THR 91 92 GLN 92 93 PRO 93 94 THR 94 95 VAL 95 96 LYS 96 97 ALA 97 98 LYS 98 99 LYS 99 100 LYS 100 101 LYS 101 102 ALA 102 103 LYS 103 104 LYS 104 105 ALA 105 106 VAL 106 107 GLU 107 108 GLU 108 109 ASP 109 110 LEU 110 111 ASP 111 112 LEU 112 113 ASP 113 114 GLU 114 115 PHE 115 116 GLU 116 117 GLU 117 118 ILE 118 119 ASP 119 120 GLU 120 121 ASP 121 122 ASP 122 123 LEU 123 124 ASP 124 125 LEU 125 126 ASP 126 127 GLU 127 128 VAL 128 129 GLU 129 130 GLU 130 131 GLU 131 132 LEU 132 133 ASP 133 134 LEU 134 135 GLU 135 136 ALA 136 137 ASP 137 138 ASP 138 139 PHE 139 140 ASP 140 141 GLU 141 142 GLU 142 143 ASP 143 144 LEU 144 145 ASP 145 146 GLU 146 147 ASP 147 148 ASP 148 149 ASP 149 150 ASP 150 151 LEU 151 152 GLU 152 153 ILE 153 154 GLU 154 155 GLU 155 156 ASP 156 157 ILE 157 158 ILE 158 159 ASP 159 160 GLU 160 161 ASP 161 162 ASP 162 163 GLU 163 164 ASP 164 165 TYR 165 166 ASP 166 167 ASP 167 168 GLU 168 169 GLU 169 170 GLU 170 171 GLU 171 172 ILE 172 173 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 16635 N_delta 52.91 99 100.00 100.00 1.73e-58 BMRB 18903 delta 100.00 172 100.00 100.00 8.66e-109 BMRB 19284 delta 100.00 172 100.00 100.00 8.66e-109 PDB 2KRC "Solution Structure Of The N-Terminal Domain Of Bacillus Subtilis Delta Subunit Of Rna Polymerase" 52.91 99 100.00 100.00 1.73e-58 PDB 4NC7 "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With I3c And Nickel Ions" 52.91 99 100.00 100.00 1.73e-58 PDB 4NC8 "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With Nickel Ions" 52.91 99 100.00 100.00 1.73e-58 DBJ BAM55799 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7613]" 100.00 173 100.00 100.00 6.11e-109 DBJ BAM59811 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7003]" 100.00 173 100.00 100.00 6.11e-109 EMBL CAA89869 "RNA polymerase delta subunit [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.11e-109 EMBL CAB15744 "RNA polymerase (delta subunit) [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.11e-109 EMBL CCU60814 "DNA-directed RNA polymerase delta subunit [Bacillus subtilis E1]" 100.00 173 99.42 100.00 2.05e-108 EMBL CEI59524 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" 100.00 173 100.00 100.00 6.11e-109 EMBL CEJ79381 "DNA-directed RNA polymerase subunit delta [Bacillus sp.]" 100.00 173 100.00 100.00 6.11e-109 GB AAA22710 "rpoE protein (ttg start codon) [Bacillus subtilis]" 100.00 173 100.00 100.00 6.11e-109 GB ADM39706 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. spizizenii str. W23]" 63.37 173 98.17 98.17 1.20e-59 GB ADV94526 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BSn5]" 100.00 173 98.84 100.00 3.22e-108 GB AEP92774 "hypothetical protein I33_3861 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 173 98.84 99.42 8.88e-108 GB AFI30331 "DNA-directed RNA polymerase subunit delta [Bacillus sp. JS]" 100.00 173 98.84 100.00 3.22e-108 REF NP_391597 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. subtilis str. 168]" 100.00 173 100.00 100.00 6.11e-109 REF WP_003221959 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 63.37 173 98.17 98.17 1.20e-59 REF WP_003227609 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 100.00 173 99.42 100.00 2.05e-108 REF WP_003235832 "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" 63.37 173 99.08 99.08 1.39e-61 REF WP_003243661 "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" 100.00 173 100.00 100.00 6.11e-109 SP P12464 "RecName: Full=DNA-directed RNA polymerase subunit delta; AltName: Full=RNAP delta factor" 100.00 173 100.00 100.00 6.11e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $delta 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $delta 'recombinant technology' . Escherichia coli BL21 DE3 pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $delta 0.7 mM '[U-100% 13C; U-100% 15N]' D2O 10 % [U-2H] 'sodium chloride' 10 mM 'natural abundance' 'sodium azide' 50 uM 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_CON_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_3D_CBCACON_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACON' _Sample_label $sample_1 save_ save_3D_CBCANCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANCO' _Sample_label $sample_1 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_5D_HN_CA_CONH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HN_CA_CONH' _Sample_label $sample_1 save_ save_5D_HabCabCONH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HabCabCONH' _Sample_label $sample_1 save_ save_5D_H_CCtocsy_CONH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '5D H_CCtocsy_CONH' _Sample_label $sample_1 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' 30 . mM pH 6.6 . pH pressure 1 . atm temperature 301 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 internal 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D HNCO' '3D 1H-13C NOESY' '2D CON' '3D CBCACON' '3D CBCANCO' '5D HN_CA_CONH' '5D HabCabCONH' '5D H_CCtocsy_CONH' 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 delta _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 2 1 GLY HA2 H 3.937 0.010 2 2 2 1 GLY HA3 H 3.974 0.005 2 3 2 1 GLY C C 171.615 0.006 1 4 2 1 GLY CA C 43.643 0.028 1 5 3 2 ILE H H 8.987 0.003 1 6 3 2 ILE HA H 4.109 0.006 1 7 3 2 ILE HB H 1.829 0.006 1 8 3 2 ILE HD1 H 0.855 0.004 . 9 3 2 ILE HG12 H 1.505 0.006 2 10 3 2 ILE HG13 H 1.292 0.005 2 11 3 2 ILE HG2 H 0.908 0.006 . 12 3 2 ILE C C 176.338 0.002 1 13 3 2 ILE CA C 61.616 0.025 1 14 3 2 ILE CB C 38.968 0.070 1 15 3 2 ILE CD1 C 14.085 0.020 1 16 3 2 ILE CG1 C 28.250 0.026 1 17 3 2 ILE CG2 C 18.540 0.038 1 18 3 2 ILE N N 121.384 0.014 1 19 4 3 LYS H H 8.426 0.002 1 20 4 3 LYS HA H 4.165 0.008 1 21 4 3 LYS HB2 H 1.784 0.006 2 22 4 3 LYS HB3 H 1.690 0.010 2 23 4 3 LYS HD2 H 1.639 0.010 2 24 4 3 LYS HD3 H 1.639 0.010 2 25 4 3 LYS HE2 H 2.953 0.015 2 26 4 3 LYS HE3 H 2.953 0.015 2 27 4 3 LYS HG2 H 1.444 0.007 2 28 4 3 LYS HG3 H 1.361 0.008 2 29 4 3 LYS C C 176.730 0.003 1 30 4 3 LYS CA C 57.507 0.080 1 31 4 3 LYS CB C 31.547 0.039 1 32 4 3 LYS CD C 29.177 0.000 1 33 4 3 LYS CE C 42.126 0.029 1 34 4 3 LYS CG C 25.537 0.017 1 35 4 3 LYS N N 119.855 0.088 1 36 5 4 GLN H H 7.830 0.002 1 37 5 4 GLN HA H 4.197 0.007 1 38 5 4 GLN HB2 H 1.887 0.009 2 39 5 4 GLN HB3 H 1.887 0.009 2 40 5 4 GLN HE21 H 7.298 0.000 2 41 5 4 GLN HE22 H 6.753 0.000 2 42 5 4 GLN HG2 H 2.114 0.003 2 43 5 4 GLN HG3 H 1.809 0.006 2 44 5 4 GLN C C 175.887 0.007 1 45 5 4 GLN CA C 56.424 0.036 1 46 5 4 GLN CB C 28.676 0.068 1 47 5 4 GLN CG C 34.003 0.032 1 48 5 4 GLN N N 117.164 0.034 1 49 5 4 GLN NE2 N 112.794 0.015 1 50 6 5 TYR H H 7.308 0.010 1 51 6 5 TYR HA H 4.749 0.003 1 52 6 5 TYR HB2 H 3.105 0.005 2 53 6 5 TYR HB3 H 2.729 0.003 2 54 6 5 TYR HD1 H 7.109 0.001 3 55 6 5 TYR HD2 H 7.109 0.001 3 56 6 5 TYR HE1 H 6.705 0.000 3 57 6 5 TYR HE2 H 6.705 0.000 3 58 6 5 TYR C C 176.187 0.001 1 59 6 5 TYR CA C 57.392 0.063 1 60 6 5 TYR CB C 39.767 0.027 1 61 6 5 TYR CD1 C 133.004 0.000 . 62 6 5 TYR CD2 C 133.004 0.000 . 63 6 5 TYR CE1 C 118.145 0.000 . 64 6 5 TYR CE2 C 118.145 0.000 . 65 6 5 TYR N N 119.761 0.033 1 66 7 6 SER H H 9.306 0.007 1 67 7 6 SER HA H 4.593 0.003 1 68 7 6 SER HB2 H 4.415 0.003 2 69 7 6 SER HB3 H 4.074 0.007 2 70 7 6 SER C C 175.154 0.003 1 71 7 6 SER CA C 57.083 0.061 1 72 7 6 SER CB C 65.419 0.027 1 73 7 6 SER N N 118.900 0.019 1 74 8 7 GLN H H 9.045 0.001 1 75 8 7 GLN HA H 3.944 0.007 1 76 8 7 GLN HB2 H 2.144 0.005 2 77 8 7 GLN HB3 H 2.074 0.003 2 78 8 7 GLN HG2 H 2.526 0.003 2 79 8 7 GLN HG3 H 2.348 0.004 2 80 8 7 GLN C C 178.131 0.010 1 81 8 7 GLN CA C 59.936 0.025 1 82 8 7 GLN CB C 28.782 0.002 1 83 8 7 GLN CG C 34.572 0.038 1 84 8 7 GLN N N 121.386 0.017 1 85 9 8 GLU H H 8.554 0.002 1 86 9 8 GLU HA H 3.898 0.002 1 87 9 8 GLU HB2 H 2.020 0.003 2 88 9 8 GLU HB3 H 1.953 0.006 2 89 9 8 GLU HG2 H 2.394 0.003 2 90 9 8 GLU HG3 H 2.282 0.004 2 91 9 8 GLU C C 179.116 0.002 1 92 9 8 GLU CA C 60.149 0.020 1 93 9 8 GLU CB C 28.741 0.117 1 94 9 8 GLU CG C 36.980 0.045 1 95 9 8 GLU N N 117.117 0.024 1 96 10 9 GLU H H 7.672 0.001 1 97 10 9 GLU HA H 3.963 0.003 1 98 10 9 GLU HB2 H 2.420 0.004 2 99 10 9 GLU HB3 H 1.916 0.000 2 100 10 9 GLU HG2 H 2.302 0.007 2 101 10 9 GLU HG3 H 2.302 0.007 2 102 10 9 GLU C C 180.113 0.003 1 103 10 9 GLU CA C 58.920 0.010 1 104 10 9 GLU CB C 30.118 0.051 1 105 10 9 GLU CG C 37.590 0.028 1 106 10 9 GLU N N 119.170 0.034 1 107 11 10 LEU H H 8.178 0.002 1 108 11 10 LEU HA H 3.906 0.005 1 109 11 10 LEU HB2 H 1.843 0.003 2 110 11 10 LEU HB3 H 1.233 0.004 2 111 11 10 LEU HD1 H 0.816 0.003 2 112 11 10 LEU HD2 H 0.752 0.004 2 113 11 10 LEU HG H 1.700 0.004 1 114 11 10 LEU C C 178.904 0.002 1 115 11 10 LEU CA C 57.895 0.070 1 116 11 10 LEU CB C 42.264 0.063 1 117 11 10 LEU CD1 C 26.346 0.023 2 118 11 10 LEU CD2 C 24.159 0.046 2 119 11 10 LEU CG C 26.912 0.037 1 120 11 10 LEU N N 120.130 0.021 1 121 12 11 LYS H H 7.654 0.003 1 122 12 11 LYS HA H 3.846 0.007 1 123 12 11 LYS HB2 H 1.896 0.007 2 124 12 11 LYS HB3 H 1.853 0.003 2 125 12 11 LYS HD2 H 1.659 0.003 2 126 12 11 LYS HD3 H 1.659 0.003 2 127 12 11 LYS HE2 H 2.927 0.011 2 128 12 11 LYS HE3 H 2.927 0.011 2 129 12 11 LYS HG2 H 1.643 0.002 2 130 12 11 LYS HG3 H 1.443 0.005 2 131 12 11 LYS C C 177.280 0.003 1 132 12 11 LYS CA C 59.001 0.017 1 133 12 11 LYS CB C 32.663 0.044 1 134 12 11 LYS CD C 29.707 0.084 1 135 12 11 LYS CE C 42.198 0.000 1 136 12 11 LYS CG C 25.967 0.034 1 137 12 11 LYS N N 115.124 0.020 1 138 13 12 GLU H H 7.086 0.003 1 139 13 12 GLU HA H 4.356 0.005 1 140 13 12 GLU HB2 H 2.232 0.001 2 141 13 12 GLU HB3 H 1.821 0.006 2 142 13 12 GLU HG2 H 2.348 0.013 2 143 13 12 GLU HG3 H 2.224 0.001 2 144 13 12 GLU C C 176.471 0.005 1 145 13 12 GLU CA C 55.489 0.019 1 146 13 12 GLU CB C 30.349 0.079 1 147 13 12 GLU CG C 35.831 0.039 1 148 13 12 GLU N N 115.054 0.020 1 149 14 13 MET H H 7.299 0.001 1 150 14 13 MET HA H 4.166 0.007 1 151 14 13 MET HB2 H 1.926 0.002 2 152 14 13 MET HB3 H 1.926 0.002 2 153 14 13 MET HG2 H 2.559 0.003 2 154 14 13 MET HG3 H 2.409 0.003 2 155 14 13 MET C C 175.453 0.000 1 156 14 13 MET CA C 56.011 0.019 1 157 14 13 MET CB C 34.577 0.083 1 158 14 13 MET CG C 32.166 0.040 1 159 14 13 MET N N 120.415 0.026 1 160 15 14 ALA H H 8.638 0.002 1 161 15 14 ALA HA H 4.274 0.004 1 162 15 14 ALA HB H 1.508 0.001 1 163 15 14 ALA C C 179.511 0.015 1 164 15 14 ALA CA C 51.904 0.025 1 165 15 14 ALA CB C 18.802 0.022 1 166 15 14 ALA N N 124.804 0.023 1 167 16 15 LEU H H 8.485 0.007 1 168 16 15 LEU HA H 3.648 0.003 1 169 16 15 LEU HB2 H 1.416 0.009 2 170 16 15 LEU HB3 H 0.338 0.003 2 171 16 15 LEU HD1 H 0.554 0.004 2 172 16 15 LEU HD2 H 0.510 0.002 2 173 16 15 LEU HG H 1.653 0.004 1 174 16 15 LEU C C 179.319 0.002 1 175 16 15 LEU CA C 58.917 0.014 1 176 16 15 LEU CB C 39.859 0.042 1 177 16 15 LEU CD1 C 25.129 0.027 2 178 16 15 LEU CD2 C 22.753 0.035 2 179 16 15 LEU CG C 27.352 0.015 1 180 16 15 LEU N N 123.066 0.071 1 181 17 16 VAL H H 8.893 0.003 1 182 17 16 VAL HA H 3.911 0.003 1 183 17 16 VAL HB H 2.263 0.002 1 184 17 16 VAL HG1 H 1.006 0.001 . 185 17 16 VAL HG2 H 1.006 0.001 . 186 17 16 VAL C C 176.662 0.008 1 187 17 16 VAL CA C 65.732 0.046 1 188 17 16 VAL CB C 31.762 0.132 1 189 17 16 VAL CG1 C 21.624 0.037 . 190 17 16 VAL CG2 C 21.624 0.037 . 191 17 16 VAL N N 113.942 0.027 1 192 18 17 GLU H H 7.099 0.004 1 193 18 17 GLU HA H 4.476 0.003 1 194 18 17 GLU HB2 H 2.204 0.001 2 195 18 17 GLU HB3 H 2.084 0.003 2 196 18 17 GLU HG2 H 2.531 0.005 2 197 18 17 GLU HG3 H 2.326 0.001 2 198 18 17 GLU C C 179.591 0.005 1 199 18 17 GLU CA C 57.676 0.098 1 200 18 17 GLU CB C 28.531 0.174 1 201 18 17 GLU CG C 35.912 0.027 1 202 18 17 GLU N N 119.928 0.037 1 203 19 18 ILE H H 7.544 0.003 1 204 19 18 ILE HA H 3.417 0.003 1 205 19 18 ILE HB H 1.781 0.002 1 206 19 18 ILE HD1 H 0.779 0.003 . 207 19 18 ILE HG12 H 1.639 0.005 2 208 19 18 ILE HG13 H 0.779 0.004 2 209 19 18 ILE HG2 H 0.735 0.002 . 210 19 18 ILE C C 178.105 0.003 1 211 19 18 ILE CA C 65.938 0.028 1 212 19 18 ILE CB C 37.755 0.045 1 213 19 18 ILE CD1 C 13.798 0.005 1 214 19 18 ILE CG1 C 28.813 0.027 1 215 19 18 ILE CG2 C 18.458 0.010 1 216 19 18 ILE N N 120.123 0.022 1 217 20 19 ALA H H 8.614 0.002 1 218 20 19 ALA HA H 3.775 0.003 1 219 20 19 ALA HB H 1.531 0.002 1 220 20 19 ALA C C 177.905 0.002 1 221 20 19 ALA CA C 55.297 0.026 1 222 20 19 ALA CB C 17.987 0.013 1 223 20 19 ALA N N 119.155 0.022 1 224 21 20 HIS H H 8.513 0.003 1 225 21 20 HIS HA H 4.141 0.002 1 226 21 20 HIS HB2 H 3.551 0.003 2 227 21 20 HIS HB3 H 3.458 0.004 2 228 21 20 HIS C C 176.529 0.010 1 229 21 20 HIS CA C 62.927 0.065 1 230 21 20 HIS CB C 28.699 0.140 1 231 21 20 HIS N N 115.619 0.091 1 232 22 21 GLU H H 7.851 0.008 1 233 22 21 GLU HA H 4.197 0.000 1 234 22 21 GLU HB2 H 2.160 0.009 2 235 22 21 GLU HB3 H 2.160 0.009 2 236 22 21 GLU HG2 H 2.612 0.005 2 237 22 21 GLU HG3 H 2.384 0.011 2 238 22 21 GLU C C 180.031 0.007 1 239 22 21 GLU CA C 59.127 0.043 1 240 22 21 GLU CB C 29.276 0.127 1 241 22 21 GLU CG C 35.912 0.069 1 242 22 21 GLU N N 116.621 0.091 1 243 23 22 LEU H H 8.532 0.003 1 244 23 22 LEU HA H 4.008 0.006 1 245 23 22 LEU HB2 H 1.848 0.001 2 246 23 22 LEU HB3 H 1.313 0.001 2 247 23 22 LEU HD1 H 0.799 0.002 2 248 23 22 LEU HD2 H 0.693 0.005 2 249 23 22 LEU HG H 1.687 0.008 1 250 23 22 LEU C C 179.886 0.004 1 251 23 22 LEU CA C 58.236 0.058 1 252 23 22 LEU CB C 41.523 0.232 1 253 23 22 LEU CD1 C 23.056 0.038 2 254 23 22 LEU CD2 C 26.352 0.018 2 255 23 22 LEU CG C 26.635 0.036 1 256 23 22 LEU N N 121.649 0.026 1 257 24 23 PHE H H 8.683 0.011 1 258 24 23 PHE HA H 4.788 0.002 1 259 24 23 PHE HB2 H 3.253 0.001 2 260 24 23 PHE HB3 H 3.113 0.006 2 261 24 23 PHE HD1 H 7.466 0.011 3 262 24 23 PHE HD2 H 7.466 0.011 3 263 24 23 PHE HE1 H 7.069 0.003 3 264 24 23 PHE HE2 H 7.069 0.003 3 265 24 23 PHE C C 179.196 0.006 1 266 24 23 PHE CA C 61.706 0.033 1 267 24 23 PHE CB C 38.412 0.011 1 268 24 23 PHE CD1 C 129.235 0.000 . 269 24 23 PHE CD2 C 129.235 0.000 . 270 24 23 PHE CE1 C 130.440 0.000 . 271 24 23 PHE CE2 C 130.440 0.000 . 272 24 23 PHE N N 118.945 0.045 1 273 25 24 GLU H H 8.109 0.013 1 274 25 24 GLU HA H 4.413 0.003 1 275 25 24 GLU HB2 H 2.085 0.007 2 276 25 24 GLU HB3 H 2.085 0.007 2 277 25 24 GLU HG2 H 2.291 0.002 2 278 25 24 GLU HG3 H 2.291 0.002 2 279 25 24 GLU C C 178.070 0.004 1 280 25 24 GLU CA C 59.286 0.045 1 281 25 24 GLU CB C 29.487 0.040 1 282 25 24 GLU CG C 36.459 0.000 1 283 25 24 GLU N N 118.295 0.050 1 284 26 25 GLU H H 7.697 0.002 1 285 26 25 GLU HA H 4.217 0.003 1 286 26 25 GLU HB2 H 2.075 0.008 2 287 26 25 GLU HB3 H 1.942 0.001 2 288 26 25 GLU HG2 H 2.167 0.015 2 289 26 25 GLU HG3 H 2.167 0.015 2 290 26 25 GLU C C 178.001 0.004 1 291 26 25 GLU CA C 58.347 0.060 1 292 26 25 GLU CB C 30.102 0.040 1 293 26 25 GLU CG C 36.023 0.000 1 294 26 25 GLU N N 117.333 0.077 1 295 27 26 HIS H H 8.546 0.002 1 296 27 26 HIS HA H 4.646 0.009 1 297 27 26 HIS HB2 H 3.556 0.003 2 298 27 26 HIS HB3 H 3.262 0.004 2 299 27 26 HIS C C 176.200 0.010 1 300 27 26 HIS CA C 57.242 0.098 1 301 27 26 HIS CB C 30.385 0.121 1 302 27 26 HIS N N 116.122 0.078 1 303 28 27 LYS H H 8.886 0.002 1 304 28 27 LYS HA H 3.751 0.020 1 305 28 27 LYS HB2 H 1.706 0.012 2 306 28 27 LYS HB3 H 1.558 0.001 2 307 28 27 LYS HD2 H 1.628 0.002 2 308 28 27 LYS HD3 H 1.489 0.009 2 309 28 27 LYS HE2 H 2.986 0.004 2 310 28 27 LYS HE3 H 2.986 0.004 2 311 28 27 LYS HG2 H 1.195 0.006 2 312 28 27 LYS HG3 H 1.195 0.006 2 313 28 27 LYS C C 173.830 0.002 1 314 28 27 LYS CA C 57.391 0.069 1 315 28 27 LYS CB C 29.923 0.031 1 316 28 27 LYS CD C 29.376 0.100 1 317 28 27 LYS CE C 42.501 0.019 1 318 28 27 LYS CG C 25.329 0.016 1 319 28 27 LYS N N 113.775 0.108 1 320 29 28 LYS H H 7.442 0.004 1 321 29 28 LYS HA H 4.631 0.004 1 322 29 28 LYS HB2 H 1.810 0.005 2 323 29 28 LYS HB3 H 1.659 0.002 2 324 29 28 LYS HD2 H 1.673 0.000 2 325 29 28 LYS HD3 H 1.673 0.000 2 326 29 28 LYS HE2 H 2.984 0.001 2 327 29 28 LYS HE3 H 2.984 0.001 2 328 29 28 LYS HG2 H 1.390 0.005 2 329 29 28 LYS HG3 H 1.390 0.005 2 330 29 28 LYS C C 173.073 0.000 1 331 29 28 LYS CA C 53.222 0.014 1 332 29 28 LYS CB C 34.515 0.045 1 333 29 28 LYS CD C 29.654 0.000 1 334 29 28 LYS CG C 23.698 0.017 1 335 29 28 LYS N N 117.742 0.040 1 336 30 29 PRO HA H 5.516 0.003 1 337 30 29 PRO HB2 H 2.285 0.005 2 338 30 29 PRO HB3 H 1.907 0.004 2 339 30 29 PRO HD2 H 3.852 0.004 2 340 30 29 PRO HD3 H 3.774 0.005 2 341 30 29 PRO HG2 H 2.224 0.002 2 342 30 29 PRO HG3 H 2.176 0.008 2 343 30 29 PRO C C 177.381 0.003 1 344 30 29 PRO CA C 63.236 0.076 1 345 30 29 PRO CB C 33.219 0.032 1 346 30 29 PRO CD C 51.012 0.000 1 347 30 29 PRO CG C 28.115 0.023 1 348 30 29 PRO N N 134.105 0.000 1 349 31 30 VAL H H 8.964 0.005 1 350 31 30 VAL HA H 5.111 0.004 1 351 31 30 VAL HB H 2.202 0.001 1 352 31 30 VAL HG1 H 1.087 0.001 2 353 31 30 VAL HG2 H 1.053 0.014 2 354 31 30 VAL C C 174.431 0.000 1 355 31 30 VAL CA C 58.847 0.029 1 356 31 30 VAL CB C 36.228 0.050 1 357 31 30 VAL CG1 C 22.227 0.011 2 358 31 30 VAL CG2 C 20.229 0.026 2 359 31 30 VAL N N 117.059 0.092 1 360 32 31 PRO HA H 5.114 0.005 1 361 32 31 PRO HB2 H 2.757 0.004 2 362 32 31 PRO HB3 H 2.121 0.016 2 363 32 31 PRO HD2 H 4.015 0.003 2 364 32 31 PRO HD3 H 3.850 0.002 2 365 32 31 PRO HG2 H 2.224 0.004 2 366 32 31 PRO HG3 H 2.127 0.006 2 367 32 31 PRO C C 177.503 0.004 1 368 32 31 PRO CA C 62.719 0.018 1 369 32 31 PRO CB C 32.969 0.011 1 370 32 31 PRO CD C 51.702 0.034 1 371 32 31 PRO CG C 28.086 0.003 1 372 32 31 PRO N N 136.108 0.000 1 373 33 32 PHE H H 9.725 0.006 1 374 33 32 PHE HA H 4.145 0.002 1 375 33 32 PHE HB2 H 3.607 0.011 2 376 33 32 PHE HB3 H 3.218 0.006 2 377 33 32 PHE HD1 H 6.854 0.001 3 378 33 32 PHE HD2 H 6.854 0.001 3 379 33 32 PHE HE1 H 6.741 0.001 3 380 33 32 PHE HE2 H 6.741 0.001 3 381 33 32 PHE HZ H 7.122 0.001 1 382 33 32 PHE C C 176.695 0.004 1 383 33 32 PHE CA C 62.805 0.070 1 384 33 32 PHE CB C 40.070 0.073 1 385 33 32 PHE CD1 C 131.450 0.027 . 386 33 32 PHE CD2 C 131.450 0.027 . 387 33 32 PHE CE1 C 131.455 0.000 . 388 33 32 PHE CE2 C 131.455 0.000 . 389 33 32 PHE CZ C 129.137 0.000 1 390 33 32 PHE N N 124.846 0.041 1 391 34 33 GLN H H 9.327 0.002 1 392 34 33 GLN HA H 3.748 0.002 1 393 34 33 GLN HB2 H 2.119 0.003 2 394 34 33 GLN HB3 H 2.119 0.003 2 395 34 33 GLN HE21 H 7.735 0.000 2 396 34 33 GLN HE22 H 6.942 0.000 2 397 34 33 GLN HG2 H 2.601 0.003 2 398 34 33 GLN HG3 H 2.551 0.002 2 399 34 33 GLN C C 178.195 0.001 1 400 34 33 GLN CA C 59.093 0.026 1 401 34 33 GLN CB C 27.817 0.044 1 402 34 33 GLN CG C 33.723 0.017 1 403 34 33 GLN N N 114.092 0.021 1 404 34 33 GLN NE2 N 112.513 0.017 1 405 35 34 GLU H H 6.971 0.003 1 406 35 34 GLU HA H 4.205 0.001 1 407 35 34 GLU HB2 H 2.081 0.000 2 408 35 34 GLU HB3 H 2.081 0.000 2 409 35 34 GLU HG2 H 2.351 0.000 2 410 35 34 GLU HG3 H 2.315 0.000 2 411 35 34 GLU C C 178.626 0.006 1 412 35 34 GLU CA C 58.741 0.030 1 413 35 34 GLU CB C 29.291 0.040 1 414 35 34 GLU N N 117.845 0.019 1 415 36 35 LEU H H 7.906 0.004 1 416 36 35 LEU HA H 3.987 0.006 1 417 36 35 LEU HB2 H 1.845 0.003 2 418 36 35 LEU HB3 H 1.566 0.004 2 419 36 35 LEU HD1 H 0.715 0.012 . 420 36 35 LEU HD2 H 0.715 0.012 . 421 36 35 LEU HG H 1.478 0.008 1 422 36 35 LEU C C 178.276 0.002 1 423 36 35 LEU CA C 57.920 0.078 1 424 36 35 LEU CB C 42.052 0.056 1 425 36 35 LEU CD1 C 23.244 0.026 . 426 36 35 LEU CD2 C 23.244 0.026 . 427 36 35 LEU CG C 26.682 0.019 1 428 36 35 LEU N N 122.611 0.034 1 429 37 36 LEU H H 7.992 0.002 1 430 37 36 LEU HA H 3.631 0.002 1 431 37 36 LEU HB2 H 1.355 0.004 2 432 37 36 LEU HB3 H 1.227 0.003 2 433 37 36 LEU HD1 H 0.671 0.007 . 434 37 36 LEU HD2 H 0.671 0.007 . 435 37 36 LEU HG H 1.843 0.001 1 436 37 36 LEU C C 178.304 0.003 1 437 37 36 LEU CA C 57.565 0.123 1 438 37 36 LEU CB C 41.866 0.020 1 439 37 36 LEU CD1 C 24.364 0.068 . 440 37 36 LEU CD2 C 24.364 0.068 . 441 37 36 LEU CG C 26.600 0.000 1 442 37 36 LEU N N 116.615 0.016 1 443 38 37 ASN H H 7.784 0.001 1 444 38 37 ASN HA H 4.312 0.010 1 445 38 37 ASN HB2 H 2.973 0.002 2 446 38 37 ASN HB3 H 2.861 0.002 2 447 38 37 ASN HD21 H 7.652 0.000 2 448 38 37 ASN HD22 H 6.945 0.000 2 449 38 37 ASN C C 178.302 0.001 1 450 38 37 ASN CA C 56.186 0.019 1 451 38 37 ASN CB C 37.834 0.072 1 452 38 37 ASN N N 117.007 0.020 1 453 38 37 ASN ND2 N 112.278 0.029 1 454 39 38 GLU H H 8.164 0.010 1 455 39 38 GLU HA H 4.053 0.007 1 456 39 38 GLU HB2 H 2.042 0.000 2 457 39 38 GLU HB3 H 2.042 0.000 2 458 39 38 GLU HG2 H 2.404 0.000 2 459 39 38 GLU HG3 H 2.275 0.000 2 460 39 38 GLU C C 179.323 0.005 1 461 39 38 GLU CA C 59.669 0.023 1 462 39 38 GLU CB C 29.576 0.000 1 463 39 38 GLU N N 121.454 0.004 1 464 40 39 ILE H H 8.272 0.011 1 465 40 39 ILE HA H 3.353 0.003 1 466 40 39 ILE HB H 1.634 0.001 1 467 40 39 ILE HD1 H 0.372 0.001 . 468 40 39 ILE HG12 H 1.732 0.005 2 469 40 39 ILE HG13 H 0.588 0.004 2 470 40 39 ILE HG2 H 0.593 0.000 . 471 40 39 ILE C C 176.911 0.007 1 472 40 39 ILE CA C 66.330 0.059 1 473 40 39 ILE CB C 38.075 0.042 1 474 40 39 ILE CD1 C 14.550 0.016 1 475 40 39 ILE CG1 C 30.110 0.028 1 476 40 39 ILE CG2 C 17.478 0.006 1 477 40 39 ILE N N 120.751 0.036 1 478 41 40 ALA H H 8.522 0.002 1 479 41 40 ALA HA H 3.714 0.003 1 480 41 40 ALA HB H 1.361 0.002 1 481 41 40 ALA C C 179.187 0.002 1 482 41 40 ALA CA C 55.790 0.033 1 483 41 40 ALA CB C 16.689 0.026 1 484 41 40 ALA N N 121.015 0.019 1 485 42 41 SER H H 7.793 0.001 1 486 42 41 SER HA H 4.237 0.001 1 487 42 41 SER HB2 H 3.988 0.002 2 488 42 41 SER HB3 H 3.988 0.002 2 489 42 41 SER C C 177.939 0.005 1 490 42 41 SER CA C 61.541 0.024 1 491 42 41 SER CB C 62.893 0.094 1 492 42 41 SER N N 111.135 0.039 1 493 43 42 LEU H H 7.908 0.006 1 494 43 42 LEU HA H 4.089 0.005 1 495 43 42 LEU HB2 H 1.916 0.007 2 496 43 42 LEU HB3 H 1.531 0.006 2 497 43 42 LEU HD1 H 0.842 0.003 . 498 43 42 LEU HD2 H 0.842 0.003 . 499 43 42 LEU HG H 1.804 0.007 1 500 43 42 LEU C C 178.765 0.002 1 501 43 42 LEU CA C 57.690 0.017 1 502 43 42 LEU CB C 42.178 0.044 1 503 43 42 LEU CD1 C 25.938 0.043 . 504 43 42 LEU CD2 C 25.938 0.043 . 505 43 42 LEU CG C 26.806 0.028 1 506 43 42 LEU N N 123.162 0.036 1 507 44 43 LEU H H 7.887 0.002 1 508 44 43 LEU HA H 4.075 0.004 1 509 44 43 LEU HB2 H 1.748 0.003 2 510 44 43 LEU HB3 H 1.482 0.007 2 511 44 43 LEU HD1 H 0.643 0.004 . 512 44 43 LEU HD2 H 0.643 0.004 . 513 44 43 LEU HG H 1.709 0.007 1 514 44 43 LEU C C 177.002 0.002 1 515 44 43 LEU CA C 55.559 0.036 1 516 44 43 LEU CB C 43.085 0.068 1 517 44 43 LEU CD1 C 22.878 0.015 . 518 44 43 LEU CD2 C 22.878 0.015 . 519 44 43 LEU CG C 27.157 0.028 1 520 44 43 LEU N N 116.378 0.018 1 521 45 44 GLY H H 7.910 0.001 1 522 45 44 GLY HA2 H 3.936 0.003 2 523 45 44 GLY HA3 H 3.849 0.002 2 524 45 44 GLY C C 174.955 0.002 1 525 45 44 GLY CA C 46.286 0.022 1 526 45 44 GLY N N 108.143 0.015 1 527 46 45 VAL H H 7.766 0.001 1 528 46 45 VAL HA H 4.690 0.002 1 529 46 45 VAL HB H 2.209 0.001 1 530 46 45 VAL HG1 H 0.753 0.002 2 531 46 45 VAL HG2 H 0.597 0.002 2 532 46 45 VAL C C 175.360 0.006 1 533 46 45 VAL CA C 58.472 0.042 1 534 46 45 VAL CB C 34.965 0.054 1 535 46 45 VAL CG1 C 21.317 0.011 2 536 46 45 VAL CG2 C 17.813 0.033 2 537 46 45 VAL N N 112.068 0.021 1 538 47 46 LYS H H 8.440 0.003 1 539 47 46 LYS HA H 4.391 0.008 1 540 47 46 LYS HB2 H 2.088 0.003 2 541 47 46 LYS HB3 H 1.639 0.003 2 542 47 46 LYS HD2 H 1.665 0.001 2 543 47 46 LYS HD3 H 1.665 0.001 2 544 47 46 LYS HE2 H 2.981 0.003 2 545 47 46 LYS HE3 H 2.981 0.003 2 546 47 46 LYS HG2 H 1.562 0.003 2 547 47 46 LYS HG3 H 1.489 0.004 2 548 47 46 LYS C C 179.253 0.001 1 549 47 46 LYS CA C 55.451 0.039 1 550 47 46 LYS CB C 32.928 0.041 1 551 47 46 LYS CD C 28.894 0.009 1 552 47 46 LYS CE C 42.174 0.018 1 553 47 46 LYS CG C 25.146 0.000 1 554 47 46 LYS N N 120.055 0.058 1 555 48 47 LYS H H 9.040 0.002 1 556 48 47 LYS HA H 3.632 0.002 1 557 48 47 LYS HB2 H 1.754 0.005 2 558 48 47 LYS HB3 H 1.691 0.002 2 559 48 47 LYS HD2 H 1.671 0.001 2 560 48 47 LYS HD3 H 1.671 0.001 2 561 48 47 LYS HE2 H 2.987 0.006 2 562 48 47 LYS HE3 H 2.987 0.006 2 563 48 47 LYS HG2 H 1.356 0.004 2 564 48 47 LYS HG3 H 1.356 0.004 2 565 48 47 LYS C C 178.377 0.003 1 566 48 47 LYS CA C 60.697 0.016 1 567 48 47 LYS CB C 31.622 0.023 1 568 48 47 LYS CD C 29.764 0.000 1 569 48 47 LYS CE C 41.847 0.000 1 570 48 47 LYS CG C 24.430 0.020 1 571 48 47 LYS N N 123.141 0.032 1 572 49 48 GLU H H 9.368 0.004 1 573 49 48 GLU HA H 4.061 0.005 1 574 49 48 GLU HB2 H 2.026 0.000 2 575 49 48 GLU HB3 H 2.026 0.000 2 576 49 48 GLU HG2 H 2.397 0.002 2 577 49 48 GLU HG3 H 2.291 0.000 2 578 49 48 GLU C C 179.167 0.003 1 579 49 48 GLU CA C 59.841 0.106 1 580 49 48 GLU CB C 28.292 0.127 1 581 49 48 GLU CG C 36.899 0.015 1 582 49 48 GLU N N 116.781 0.035 1 583 50 49 GLU H H 7.906 0.001 1 584 50 49 GLU HA H 4.202 0.011 1 585 50 49 GLU HB2 H 2.036 0.001 2 586 50 49 GLU HB3 H 2.036 0.001 2 587 50 49 GLU HG2 H 2.260 0.001 2 588 50 49 GLU HG3 H 2.226 0.002 2 589 50 49 GLU C C 177.960 0.003 1 590 50 49 GLU CA C 57.589 0.016 1 591 50 49 GLU CB C 29.329 0.144 1 592 50 49 GLU CG C 36.329 0.020 1 593 50 49 GLU N N 118.484 0.018 1 594 51 50 LEU H H 7.679 0.002 1 595 51 50 LEU HA H 4.249 0.005 1 596 51 50 LEU HB2 H 1.998 0.004 2 597 51 50 LEU HB3 H 1.327 0.009 2 598 51 50 LEU HD1 H 0.659 0.007 . 599 51 50 LEU HD2 H 0.659 0.007 . 600 51 50 LEU HG H 1.598 0.005 1 601 51 50 LEU C C 178.608 0.001 1 602 51 50 LEU CA C 55.739 0.020 1 603 51 50 LEU CB C 41.965 0.073 1 604 51 50 LEU CD1 C 22.806 0.022 . 605 51 50 LEU CD2 C 22.806 0.022 . 606 51 50 LEU CG C 26.819 0.030 1 607 51 50 LEU N N 118.277 0.023 1 608 52 51 GLY H H 7.589 0.001 1 609 52 51 GLY HA2 H 4.008 0.004 2 610 52 51 GLY HA3 H 3.795 0.007 2 611 52 51 GLY C C 175.993 0.005 1 612 52 51 GLY CA C 47.715 0.022 1 613 52 51 GLY N N 105.809 0.026 1 614 53 52 ASP H H 8.985 0.003 1 615 53 52 ASP HA H 4.567 0.004 1 616 53 52 ASP HB2 H 2.799 0.002 2 617 53 52 ASP HB3 H 2.758 0.001 2 618 53 52 ASP C C 177.164 0.002 1 619 53 52 ASP CA C 56.179 0.063 1 620 53 52 ASP CB C 40.023 0.077 1 621 53 52 ASP N N 124.336 0.048 1 622 54 53 ARG H H 8.224 0.001 1 623 54 53 ARG HA H 4.346 0.003 1 624 54 53 ARG HB2 H 1.988 0.002 2 625 54 53 ARG HB3 H 1.790 0.003 2 626 54 53 ARG HD2 H 3.209 0.002 2 627 54 53 ARG HD3 H 3.149 0.003 2 628 54 53 ARG HE H 7.250 0.000 1 629 54 53 ARG HG2 H 1.898 0.010 2 630 54 53 ARG HG3 H 1.751 0.001 2 631 54 53 ARG C C 178.761 0.002 1 632 54 53 ARG CA C 57.905 0.053 1 633 54 53 ARG CB C 31.599 0.056 1 634 54 53 ARG CD C 44.350 0.000 1 635 54 53 ARG CG C 27.171 0.052 1 636 54 53 ARG N N 117.699 0.029 1 637 54 53 ARG NE N 84.022 0.000 1 638 55 54 ILE H H 7.651 0.003 1 639 55 54 ILE HA H 3.688 0.003 1 640 55 54 ILE HB H 1.972 0.002 1 641 55 54 ILE HD1 H 0.977 0.001 . 642 55 54 ILE HG12 H 1.753 0.004 2 643 55 54 ILE HG13 H 0.977 0.001 2 644 55 54 ILE HG2 H 1.077 0.001 . 645 55 54 ILE C C 176.682 0.007 1 646 55 54 ILE CA C 66.611 0.008 1 647 55 54 ILE CB C 37.825 0.051 1 648 55 54 ILE CD1 C 13.249 0.012 1 649 55 54 ILE CG1 C 29.455 0.029 1 650 55 54 ILE CG2 C 17.707 0.028 1 651 55 54 ILE N N 119.774 0.023 1 652 56 55 ALA H H 8.118 0.001 1 653 56 55 ALA HA H 4.184 0.004 1 654 56 55 ALA HB H 1.492 0.002 1 655 56 55 ALA C C 180.740 0.002 1 656 56 55 ALA CA C 55.535 0.021 1 657 56 55 ALA CB C 17.756 0.073 1 658 56 55 ALA N N 122.841 0.010 1 659 57 56 GLN H H 7.844 0.004 1 660 57 56 GLN HA H 3.995 0.007 1 661 57 56 GLN HB2 H 2.195 0.003 2 662 57 56 GLN HB3 H 2.087 0.002 2 663 57 56 GLN HE21 H 8.027 0.000 2 664 57 56 GLN HE22 H 6.863 0.000 2 665 57 56 GLN HG2 H 2.534 0.004 2 666 57 56 GLN HG3 H 2.461 0.003 2 667 57 56 GLN C C 176.704 0.023 1 668 57 56 GLN CA C 58.039 0.062 1 669 57 56 GLN CB C 28.590 0.100 1 670 57 56 GLN CG C 33.430 0.000 1 671 57 56 GLN N N 117.466 0.020 1 672 57 56 GLN NE2 N 115.560 0.015 1 673 58 57 PHE H H 7.974 0.005 1 674 58 57 PHE HA H 4.886 0.001 1 675 58 57 PHE HB2 H 3.440 0.006 2 676 58 57 PHE HB3 H 3.409 0.005 2 677 58 57 PHE HD1 H 7.094 0.000 3 678 58 57 PHE HD2 H 7.094 0.000 3 679 58 57 PHE HE1 H 6.573 0.002 3 680 58 57 PHE HE2 H 6.573 0.002 3 681 58 57 PHE C C 176.001 0.004 1 682 58 57 PHE CA C 58.244 0.042 1 683 58 57 PHE CB C 39.297 0.079 1 684 58 57 PHE CD1 C 131.740 0.000 . 685 58 57 PHE CD2 C 131.740 0.000 . 686 58 57 PHE CE1 C 129.826 0.000 . 687 58 57 PHE CE2 C 129.826 0.000 . 688 58 57 PHE N N 120.305 0.019 1 689 59 58 TYR H H 8.370 0.006 1 690 59 58 TYR HA H 3.340 0.002 1 691 59 58 TYR HB2 H 2.933 0.004 2 692 59 58 TYR HB3 H 2.720 0.002 2 693 59 58 TYR HD1 H 6.312 0.002 3 694 59 58 TYR HD2 H 6.312 0.002 3 695 59 58 TYR HE1 H 6.622 0.000 3 696 59 58 TYR HE2 H 6.622 0.000 3 697 59 58 TYR C C 177.990 0.003 1 698 59 58 TYR CA C 62.201 0.087 1 699 59 58 TYR CB C 37.785 0.088 1 700 59 58 TYR CD1 C 132.818 0.034 . 701 59 58 TYR CD2 C 132.818 0.034 . 702 59 58 TYR CE1 C 117.964 0.011 . 703 59 58 TYR CE2 C 117.964 0.011 . 704 59 58 TYR N N 118.318 0.088 1 705 60 59 THR H H 7.899 0.001 1 706 60 59 THR HA H 3.732 0.002 1 707 60 59 THR HB H 4.348 0.002 1 708 60 59 THR HG2 H 1.231 0.002 . 709 60 59 THR C C 175.950 0.005 1 710 60 59 THR CA C 67.153 0.024 1 711 60 59 THR CB C 68.617 0.072 1 712 60 59 THR CG2 C 21.968 0.006 1 713 60 59 THR N N 116.566 0.027 1 714 61 60 ASP H H 8.715 0.001 1 715 61 60 ASP HA H 4.361 0.003 1 716 61 60 ASP HB2 H 2.876 0.006 2 717 61 60 ASP HB3 H 2.504 0.002 2 718 61 60 ASP C C 178.771 0.000 1 719 61 60 ASP CA C 57.795 0.021 1 720 61 60 ASP CB C 40.316 0.042 1 721 61 60 ASP N N 122.771 0.023 1 722 62 61 LEU H H 8.080 0.003 1 723 62 61 LEU HA H 3.252 0.003 1 724 62 61 LEU HB2 H 0.597 0.003 2 725 62 61 LEU HB3 H -0.084 0.006 2 726 62 61 LEU HD1 H -0.765 0.005 2 727 62 61 LEU HD2 H -0.795 0.003 2 728 62 61 LEU HG H 0.351 0.002 1 729 62 61 LEU C C 177.581 0.013 1 730 62 61 LEU CA C 57.610 0.055 1 731 62 61 LEU CB C 40.950 0.074 1 732 62 61 LEU CD1 C 21.619 0.024 2 733 62 61 LEU CD2 C 23.680 0.017 2 734 62 61 LEU CG C 25.091 0.008 1 735 62 61 LEU N N 120.093 0.000 1 736 63 62 ASN H H 7.025 0.002 1 737 63 62 ASN HA H 4.446 0.005 1 738 63 62 ASN HB2 H 2.824 0.008 2 739 63 62 ASN HB3 H 2.603 0.006 2 740 63 62 ASN HD21 H 7.091 0.000 2 741 63 62 ASN HD22 H 5.374 0.000 2 742 63 62 ASN C C 176.826 0.000 1 743 63 62 ASN CA C 56.089 0.027 1 744 63 62 ASN CB C 40.398 0.107 1 745 63 62 ASN N N 112.459 0.023 1 746 63 62 ASN ND2 N 112.683 0.005 1 747 64 63 ILE H H 7.761 0.001 1 748 64 63 ILE HA H 4.384 0.003 1 749 64 63 ILE HB H 2.035 0.003 1 750 64 63 ILE HD1 H 0.841 0.004 . 751 64 63 ILE HG12 H 1.450 0.003 2 752 64 63 ILE HG13 H 1.417 0.001 2 753 64 63 ILE HG2 H 0.931 0.004 . 754 64 63 ILE C C 176.586 0.005 1 755 64 63 ILE CA C 61.809 0.035 1 756 64 63 ILE CB C 39.450 0.027 1 757 64 63 ILE CD1 C 13.590 0.005 1 758 64 63 ILE CG1 C 27.035 0.024 1 759 64 63 ILE CG2 C 17.496 0.012 1 760 64 63 ILE N N 113.884 0.029 1 761 65 64 ASP H H 8.041 0.009 1 762 65 64 ASP HA H 4.441 0.002 1 763 65 64 ASP HB2 H 3.133 0.000 2 764 65 64 ASP HB3 H 2.908 0.000 2 765 65 64 ASP CA C 56.329 0.000 1 766 65 64 ASP CB C 43.242 0.011 1 767 65 64 ASP N N 124.075 0.079 1 768 66 65 GLY H H 8.790 0.000 1 769 66 65 GLY HA2 H 4.166 0.000 2 770 66 65 GLY HA3 H 3.958 0.000 2 771 66 65 GLY C C 176.041 0.002 1 772 66 65 GLY CA C 46.040 0.053 1 773 66 65 GLY N N 110.445 0.000 1 774 67 66 ARG H H 9.069 0.002 1 775 67 66 ARG HB2 H 1.692 0.001 2 776 67 66 ARG HB3 H 1.632 0.000 2 777 67 66 ARG HD2 H 2.984 0.003 2 778 67 66 ARG HD3 H 2.934 0.004 2 779 67 66 ARG C C 177.778 0.001 1 780 67 66 ARG CA C 57.724 0.000 1 781 67 66 ARG CB C 30.139 0.058 1 782 67 66 ARG CD C 41.946 0.000 1 783 67 66 ARG N N 117.953 0.032 1 784 68 67 PHE H H 8.239 0.005 1 785 68 67 PHE HA H 5.110 0.004 1 786 68 67 PHE HB2 H 3.479 0.005 2 787 68 67 PHE HB3 H 3.303 0.003 2 788 68 67 PHE HD1 H 7.234 0.005 3 789 68 67 PHE HD2 H 7.234 0.005 3 790 68 67 PHE HE1 H 7.069 0.000 3 791 68 67 PHE HE2 H 7.069 0.000 3 792 68 67 PHE HZ H 7.485 0.015 1 793 68 67 PHE C C 174.053 0.004 1 794 68 67 PHE CA C 56.895 0.022 1 795 68 67 PHE CB C 41.570 0.030 1 796 68 67 PHE CD1 C 132.709 0.000 . 797 68 67 PHE CD2 C 132.709 0.000 . 798 68 67 PHE CE1 C 130.391 0.050 . 799 68 67 PHE CE2 C 130.391 0.050 . 800 68 67 PHE CZ C 131.035 0.000 1 801 68 67 PHE N N 119.061 0.022 1 802 69 68 LEU H H 8.710 0.002 1 803 69 68 LEU HA H 4.612 0.008 1 804 69 68 LEU HB2 H 1.262 0.004 2 805 69 68 LEU HB3 H 1.039 0.002 2 806 69 68 LEU HD1 H 0.765 0.002 2 807 69 68 LEU HD2 H 0.564 0.002 2 808 69 68 LEU HG H 1.102 0.005 1 809 69 68 LEU C C 172.938 0.003 1 810 69 68 LEU CA C 54.010 0.025 1 811 69 68 LEU CB C 46.627 0.060 1 812 69 68 LEU CD1 C 24.060 0.016 2 813 69 68 LEU CD2 C 25.903 0.013 2 814 69 68 LEU CG C 26.968 0.038 1 815 69 68 LEU N N 122.545 0.024 1 816 70 69 ALA H H 8.100 0.002 1 817 70 69 ALA HA H 3.579 0.001 1 818 70 69 ALA HB H 0.323 0.000 1 819 70 69 ALA C C 177.102 0.024 1 820 70 69 ALA CA C 50.866 0.042 1 821 70 69 ALA CB C 17.266 0.060 1 822 70 69 ALA N N 128.758 0.026 1 823 71 70 LEU H H 8.194 0.007 1 824 71 70 LEU HA H 4.224 0.002 1 825 71 70 LEU HB2 H 1.629 0.004 2 826 71 70 LEU HB3 H 1.430 0.008 2 827 71 70 LEU HD1 H 0.715 0.004 2 828 71 70 LEU HD2 H 0.478 0.001 2 829 71 70 LEU HG H 1.325 0.003 1 830 71 70 LEU C C 178.718 0.047 1 831 71 70 LEU CA C 54.496 0.178 1 832 71 70 LEU CB C 41.601 0.833 1 833 71 70 LEU CD1 C 24.606 0.034 2 834 71 70 LEU CD2 C 23.346 0.028 2 835 71 70 LEU CG C 28.156 0.017 1 836 71 70 LEU N N 125.515 0.107 1 837 72 71 SER H H 8.269 0.010 1 838 72 71 SER HA H 4.127 0.001 1 839 72 71 SER HB2 H 3.918 0.007 2 840 72 71 SER HB3 H 3.861 0.005 2 841 72 71 SER C C 174.048 0.000 1 842 72 71 SER CA C 60.254 0.325 1 843 72 71 SER CB C 63.323 0.049 1 844 72 71 SER N N 114.923 0.018 1 845 73 72 ASP H H 8.101 0.002 1 846 73 72 ASP HA H 4.451 0.005 1 847 73 72 ASP HB2 H 2.878 0.010 2 848 73 72 ASP HB3 H 2.578 0.003 2 849 73 72 ASP C C 176.023 0.004 1 850 73 72 ASP CA C 53.879 0.062 1 851 73 72 ASP CB C 39.629 0.018 1 852 73 72 ASP N N 119.749 0.015 1 853 74 73 GLN H H 8.156 0.003 1 854 74 73 GLN HA H 4.002 0.001 1 855 74 73 GLN HB2 H 2.437 0.005 2 856 74 73 GLN HB3 H 2.437 0.005 2 857 74 73 GLN HE21 H 7.518 0.000 2 858 74 73 GLN HE22 H 6.791 0.000 2 859 74 73 GLN HG2 H 2.341 0.001 2 860 74 73 GLN HG3 H 2.341 0.001 2 861 74 73 GLN C C 175.541 0.001 1 862 74 73 GLN CA C 57.264 0.044 1 863 74 73 GLN CB C 26.722 0.073 1 864 74 73 GLN CG C 34.525 0.003 1 865 74 73 GLN N N 110.863 0.043 1 866 74 73 GLN NE2 N 112.773 0.010 1 867 75 74 THR H H 7.235 0.001 1 868 75 74 THR HA H 4.635 0.002 1 869 75 74 THR HB H 3.884 0.005 1 870 75 74 THR HG2 H 1.064 0.005 . 871 75 74 THR C C 172.635 0.005 1 872 75 74 THR CA C 61.816 0.050 1 873 75 74 THR CB C 71.449 0.020 1 874 75 74 THR CG2 C 22.020 0.000 1 875 75 74 THR N N 110.226 0.057 1 876 76 75 TRP H H 8.611 0.005 1 877 76 75 TRP HA H 5.221 0.002 1 878 76 75 TRP HB2 H 3.330 0.001 2 879 76 75 TRP HB3 H 3.330 0.001 2 880 76 75 TRP HD1 H 7.186 0.000 1 881 76 75 TRP HE1 H 9.904 0.004 1 882 76 75 TRP HE3 H 7.345 0.001 1 883 76 75 TRP HH2 H 6.713 0.004 1 884 76 75 TRP HZ2 H 6.993 0.002 1 885 76 75 TRP HZ3 H 6.740 0.002 1 886 76 75 TRP C C 174.756 0.004 1 887 76 75 TRP CA C 56.999 0.101 1 888 76 75 TRP CB C 33.424 0.107 1 889 76 75 TRP CD1 C 124.310 0.000 1 890 76 75 TRP CE3 C 119.547 0.000 1 891 76 75 TRP CH2 C 124.453 0.000 1 892 76 75 TRP CZ2 C 113.873 0.009 1 893 76 75 TRP CZ3 C 122.316 0.037 1 894 76 75 TRP N N 121.594 0.045 1 895 76 75 TRP NE1 N 126.516 0.000 1 896 77 76 GLY H H 8.564 0.002 1 897 77 76 GLY HA2 H 3.821 0.011 2 898 77 76 GLY HA3 H 3.440 0.007 2 899 77 76 GLY C C 171.720 0.064 1 900 77 76 GLY CA C 44.374 0.119 1 901 77 76 GLY N N 104.223 0.050 1 902 78 77 LEU H H 4.077 0.005 1 903 78 77 LEU HA H 4.399 0.006 1 904 78 77 LEU HB2 H 0.759 0.004 2 905 78 77 LEU HB3 H -0.732 0.005 2 906 78 77 LEU HD1 H 0.493 0.004 2 907 78 77 LEU HD2 H 0.191 0.006 2 908 78 77 LEU HG H 0.367 0.007 1 909 78 77 LEU C C 176.684 0.000 1 910 78 77 LEU CA C 52.514 0.141 1 911 78 77 LEU CB C 40.116 0.071 1 912 78 77 LEU CD1 C 24.512 0.034 2 913 78 77 LEU CD2 C 23.990 0.014 2 914 78 77 LEU CG C 25.973 0.020 1 915 78 77 LEU N N 115.926 0.023 1 916 79 78 ARG H H 8.114 0.002 1 917 79 78 ARG HA H 3.806 0.002 1 918 79 78 ARG HB2 H 1.670 0.001 2 919 79 78 ARG HB3 H 1.470 0.003 2 920 79 78 ARG HD2 H 3.271 0.005 2 921 79 78 ARG HD3 H 3.160 0.002 2 922 79 78 ARG HE H 7.101 0.000 1 923 79 78 ARG HG2 H 1.632 0.003 2 924 79 78 ARG HG3 H 1.488 0.006 2 925 79 78 ARG C C 178.104 0.027 1 926 79 78 ARG CA C 59.092 0.039 1 927 79 78 ARG CB C 30.129 0.107 1 928 79 78 ARG CD C 43.177 0.014 1 929 79 78 ARG CG C 27.845 0.042 1 930 79 78 ARG N N 122.588 0.021 1 931 79 78 ARG NE N 83.729 0.000 1 932 80 79 SER H H 8.148 0.008 1 933 80 79 SER HA H 4.126 0.003 1 934 80 79 SER HB2 H 3.978 0.000 2 935 80 79 SER HB3 H 3.721 0.003 2 936 80 79 SER C C 175.458 0.006 1 937 80 79 SER CA C 59.835 0.069 1 938 80 79 SER CB C 62.493 0.085 1 939 80 79 SER N N 111.890 0.050 1 940 81 80 TRP H H 7.218 0.002 1 941 81 80 TRP HA H 4.586 0.003 1 942 81 80 TRP HB2 H 2.967 0.000 2 943 81 80 TRP HB3 H 2.531 0.002 2 944 81 80 TRP HD1 H 6.907 0.002 1 945 81 80 TRP HE1 H 10.468 0.004 1 946 81 80 TRP HE3 H 7.692 0.001 1 947 81 80 TRP HH2 H 7.215 0.002 1 948 81 80 TRP HZ2 H 7.585 0.012 1 949 81 80 TRP HZ3 H 6.746 0.006 1 950 81 80 TRP C C 175.828 0.003 1 951 81 80 TRP CA C 55.273 0.026 1 952 81 80 TRP CB C 28.645 0.030 1 953 81 80 TRP CD1 C 124.714 0.111 1 954 81 80 TRP CE3 C 120.265 0.000 1 955 81 80 TRP CH2 C 124.713 0.000 1 956 81 80 TRP CZ2 C 115.104 0.023 1 957 81 80 TRP CZ3 C 120.544 0.000 1 958 81 80 TRP N N 120.958 0.014 1 959 81 80 TRP NE1 N 129.746 0.000 1 960 82 81 TYR H H 7.611 0.002 1 961 82 81 TYR HA H 4.941 0.003 1 962 82 81 TYR HB2 H 3.039 0.000 2 963 82 81 TYR HB3 H 2.646 0.009 2 964 82 81 TYR HD1 H 7.108 0.019 3 965 82 81 TYR HD2 H 7.108 0.019 3 966 82 81 TYR HE1 H 6.796 0.007 3 967 82 81 TYR HE2 H 6.796 0.007 3 968 82 81 TYR C C 173.331 0.009 1 969 82 81 TYR CA C 55.385 0.016 1 970 82 81 TYR CB C 39.091 0.034 1 971 82 81 TYR CD1 C 134.500 0.000 . 972 82 81 TYR CD2 C 134.500 0.000 . 973 82 81 TYR CE1 C 118.250 0.000 . 974 82 81 TYR CE2 C 118.250 0.000 . 975 82 81 TYR N N 117.652 0.027 1 976 83 82 PRO HA H 4.466 0.005 1 977 83 82 PRO HB2 H 2.276 0.004 2 978 83 82 PRO HB3 H 1.883 0.005 2 979 83 82 PRO HD2 H 3.765 0.005 2 980 83 82 PRO HD3 H 3.659 0.005 2 981 83 82 PRO HG2 H 2.012 0.026 2 982 83 82 PRO HG3 H 1.959 0.008 2 983 83 82 PRO C C 177.097 0.004 1 984 83 82 PRO CA C 63.307 0.112 1 985 83 82 PRO CB C 32.114 0.090 1 986 83 82 PRO CD C 50.659 0.021 1 987 83 82 PRO CG C 27.253 0.000 1 988 83 82 PRO N N 136.054 0.005 1 989 84 83 TYR H H 8.264 0.005 1 990 84 83 TYR HA H 4.601 0.001 1 991 84 83 TYR HB2 H 3.124 0.003 2 992 84 83 TYR HB3 H 2.996 0.005 2 993 84 83 TYR HD1 H 7.122 0.000 3 994 84 83 TYR HD2 H 7.122 0.000 3 995 84 83 TYR HE1 H 6.767 0.000 3 996 84 83 TYR HE2 H 6.767 0.000 3 997 84 83 TYR C C 175.665 0.002 1 998 84 83 TYR CA C 57.916 0.000 1 999 84 83 TYR CB C 39.335 0.314 1 1000 84 83 TYR CE1 C 118.800 0.000 . 1001 84 83 TYR CE2 C 118.800 0.000 . 1002 84 83 TYR N N 120.321 0.050 1 1003 85 84 ASP H H 8.237 0.001 1 1004 85 84 ASP HA H 4.536 0.000 1 1005 85 84 ASP HB2 H 2.602 0.000 2 1006 85 84 ASP HB3 H 2.602 0.000 2 1007 85 84 ASP C C 175.780 0.007 1 1008 85 84 ASP CA C 54.312 0.102 1 1009 85 84 ASP CB C 41.144 0.035 1 1010 85 84 ASP N N 121.037 0.006 1 1011 86 85 GLN H H 8.105 0.001 1 1012 86 85 GLN HA H 4.270 0.013 1 1013 86 85 GLN HB2 H 2.075 0.032 2 1014 86 85 GLN HB3 H 1.932 0.009 2 1015 86 85 GLN HE21 H 7.570 0.000 2 1016 86 85 GLN HE22 H 6.765 0.000 2 1017 86 85 GLN HG2 H 2.352 0.007 2 1018 86 85 GLN HG3 H 2.281 0.006 2 1019 86 85 GLN C C 175.695 0.002 1 1020 86 85 GLN CA C 55.812 0.065 1 1021 86 85 GLN CB C 29.400 0.066 1 1022 86 85 GLN CG C 33.964 0.074 1 1023 86 85 GLN N N 119.939 0.034 1 1024 86 85 GLN NE2 N 112.606 0.021 1 1025 87 86 LEU H H 8.247 0.003 1 1026 87 86 LEU HA H 4.304 0.004 1 1027 87 86 LEU HB2 H 1.624 0.009 2 1028 87 86 LEU HB3 H 1.543 0.003 2 1029 87 86 LEU HD1 H 0.889 0.013 2 1030 87 86 LEU HD2 H 0.827 0.010 2 1031 87 86 LEU HG H 1.577 0.004 1 1032 87 86 LEU C C 177.086 0.011 1 1033 87 86 LEU CA C 55.171 0.071 1 1034 87 86 LEU CB C 42.470 0.114 1 1035 87 86 LEU CD1 C 24.984 0.035 2 1036 87 86 LEU CD2 C 23.455 0.030 2 1037 87 86 LEU CG C 26.962 0.015 1 1038 87 86 LEU N N 123.207 0.057 1 1039 88 87 ASP H H 8.293 0.002 1 1040 88 87 ASP HA H 4.599 0.000 1 1041 88 87 ASP HB2 H 2.712 0.000 2 1042 88 87 ASP HB3 H 2.548 0.000 2 1043 88 87 ASP C C 176.264 0.002 1 1044 88 87 ASP CA C 54.277 0.092 1 1045 88 87 ASP CB C 41.253 0.054 1 1046 88 87 ASP N N 121.266 0.035 1 1047 89 88 GLU H H 8.325 0.000 1 1048 89 88 GLU HA H 4.229 0.001 1 1049 89 88 GLU HB2 H 2.048 0.000 2 1050 89 88 GLU HB3 H 1.915 0.000 2 1051 89 88 GLU HG2 H 2.235 0.000 2 1052 89 88 GLU HG3 H 2.235 0.000 2 1053 89 88 GLU C C 176.642 0.003 1 1054 89 88 GLU CA C 56.810 0.061 1 1055 89 88 GLU CB C 30.438 0.076 1 1056 89 88 GLU CG C 36.159 0.000 1 1057 89 88 GLU N N 121.069 0.023 1 1058 90 89 GLU H H 8.416 0.001 1 1059 90 89 GLU HA H 4.294 0.003 1 1060 90 89 GLU HB2 H 2.014 0.000 2 1061 90 89 GLU HB3 H 2.014 0.000 2 1062 90 89 GLU HG2 H 2.251 0.000 2 1063 90 89 GLU HG3 H 2.251 0.000 2 1064 90 89 GLU C C 176.778 0.003 1 1065 90 89 GLU CA C 56.788 0.076 1 1066 90 89 GLU CB C 30.227 0.074 1 1067 90 89 GLU CG C 36.212 0.000 1 1068 90 89 GLU N N 121.274 0.068 1 1069 91 90 THR H H 8.124 0.004 1 1070 91 90 THR HA H 4.280 0.002 1 1071 91 90 THR HB H 4.149 0.002 1 1072 91 90 THR HG2 H 1.185 0.001 . 1073 91 90 THR C C 174.413 0.003 1 1074 91 90 THR CA C 62.110 0.094 1 1075 91 90 THR CB C 69.693 0.239 1 1076 91 90 THR CG2 C 21.703 0.028 1 1077 91 90 THR N N 115.374 0.044 1 1078 92 91 GLN H H 8.353 0.004 1 1079 92 91 GLN HA H 4.283 0.000 1 1080 92 91 GLN HB2 H 2.091 0.000 2 1081 92 91 GLN HB3 H 1.939 0.000 2 1082 92 91 GLN HE21 H 7.470 0.000 2 1083 92 91 GLN HG2 H 2.304 0.003 2 1084 92 91 GLN HG3 H 2.304 0.003 2 1085 92 91 GLN C C 173.924 0.004 1 1086 92 91 GLN CA C 53.730 0.042 1 1087 92 91 GLN CB C 28.852 0.059 1 1088 92 91 GLN CG C 33.842 0.011 1 1089 92 91 GLN N N 123.797 0.028 1 1090 92 91 GLN NE2 N 112.645 0.000 1 1091 93 92 PRO HA H 4.466 0.002 1 1092 93 92 PRO HB2 H 2.273 0.000 2 1093 93 92 PRO HB3 H 1.843 0.000 2 1094 93 92 PRO HG2 H 1.994 0.000 2 1095 93 92 PRO HG3 H 1.994 0.000 2 1096 93 92 PRO C C 177.093 0.005 1 1097 93 92 PRO CA C 63.196 0.088 1 1098 93 92 PRO CB C 32.193 0.111 1 1099 93 92 PRO CG C 27.369 0.000 1 1100 93 92 PRO N N 136.912 0.000 1 1101 94 93 THR H H 8.285 0.002 1 1102 94 93 THR HA H 4.280 0.003 1 1103 94 93 THR HB H 4.150 0.002 1 1104 94 93 THR HG2 H 1.195 0.011 . 1105 94 93 THR C C 174.620 0.006 1 1106 94 93 THR CA C 62.231 0.174 1 1107 94 93 THR CB C 69.827 0.071 1 1108 94 93 THR CG2 C 21.493 0.000 1 1109 94 93 THR N N 115.161 0.038 1 1110 95 94 VAL H H 8.139 0.004 1 1111 95 94 VAL HA H 4.073 0.000 1 1112 95 94 VAL HB H 2.018 0.000 1 1113 95 94 VAL HG1 H 0.895 0.000 2 1114 95 94 VAL HG2 H 0.911 0.000 2 1115 95 94 VAL C C 175.930 0.005 1 1116 95 94 VAL CA C 62.332 0.103 1 1117 95 94 VAL CB C 32.772 0.037 1 1118 95 94 VAL CG1 C 21.032 0.000 2 1119 95 94 VAL CG2 C 20.739 0.000 2 1120 95 94 VAL N N 123.172 0.039 1 1121 96 95 LYS H H 8.354 0.004 1 1122 96 95 LYS HA H 4.280 0.000 1 1123 96 95 LYS HB2 H 1.766 0.000 2 1124 96 95 LYS HB3 H 1.766 0.000 2 1125 96 95 LYS HD2 H 1.650 0.000 2 1126 96 95 LYS HD3 H 1.650 0.000 2 1127 96 95 LYS HE2 H 2.962 0.000 2 1128 96 95 LYS HE3 H 2.962 0.000 2 1129 96 95 LYS HG2 H 1.395 0.000 2 1130 96 95 LYS HG3 H 1.395 0.000 2 1131 96 95 LYS C C 176.077 0.005 1 1132 96 95 LYS CA C 56.244 0.027 1 1133 96 95 LYS CB C 33.130 0.067 1 1134 96 95 LYS CD C 29.084 0.000 1 1135 96 95 LYS CE C 42.078 0.000 1 1136 96 95 LYS CG C 24.795 0.000 1 1137 96 95 LYS N N 125.671 0.021 1 1138 97 96 ALA H H 8.280 0.006 1 1139 97 96 ALA HA H 4.261 0.000 1 1140 97 96 ALA HB H 1.345 0.000 1 1141 97 96 ALA C C 177.501 0.004 1 1142 97 96 ALA CA C 52.199 0.040 1 1143 97 96 ALA CB C 19.411 0.107 1 1144 97 96 ALA N N 125.788 0.044 1 1145 98 97 LYS H H 8.295 0.000 1 1146 98 97 LYS HA H 4.272 0.000 1 1147 98 97 LYS HB2 H 1.728 0.000 2 1148 98 97 LYS HB3 H 1.728 0.000 2 1149 98 97 LYS HD2 H 1.639 0.000 2 1150 98 97 LYS HD3 H 1.639 0.000 2 1151 98 97 LYS HE2 H 2.967 0.000 2 1152 98 97 LYS HE3 H 2.967 0.000 2 1153 98 97 LYS HG2 H 1.407 0.000 2 1154 98 97 LYS HG3 H 1.407 0.000 2 1155 98 97 LYS C C 176.514 0.007 1 1156 98 97 LYS CA C 56.275 0.006 1 1157 98 97 LYS CB C 33.390 0.030 1 1158 98 97 LYS CD C 29.073 0.000 1 1159 98 97 LYS CE C 42.142 0.000 1 1160 98 97 LYS CG C 24.890 0.000 1 1161 98 97 LYS N N 121.177 0.026 1 1162 99 98 LYS H H 8.383 0.000 1 1163 99 98 LYS HA H 4.295 0.000 1 1164 99 98 LYS HB2 H 1.760 0.000 2 1165 99 98 LYS HB3 H 1.760 0.000 2 1166 99 98 LYS HD2 H 1.646 0.000 2 1167 99 98 LYS HD3 H 1.646 0.000 2 1168 99 98 LYS HE2 H 2.950 0.000 2 1169 99 98 LYS HE3 H 2.950 0.000 2 1170 99 98 LYS HG2 H 1.387 0.000 2 1171 99 98 LYS HG3 H 1.387 0.000 2 1172 99 98 LYS C C 176.370 0.025 1 1173 99 98 LYS CA C 56.329 0.006 1 1174 99 98 LYS CB C 33.398 0.032 1 1175 99 98 LYS CD C 29.110 0.000 1 1176 99 98 LYS CE C 42.125 0.000 1 1177 99 98 LYS CG C 24.857 0.000 1 1178 99 98 LYS N N 123.012 0.004 1 1179 100 99 LYS H H 8.399 0.001 1 1180 100 99 LYS HA H 4.292 0.000 1 1181 100 99 LYS HB2 H 1.732 0.000 2 1182 100 99 LYS HB3 H 1.732 0.000 2 1183 100 99 LYS HD2 H 1.625 0.000 2 1184 100 99 LYS HD3 H 1.625 0.000 2 1185 100 99 LYS HE2 H 2.953 0.000 2 1186 100 99 LYS HE3 H 2.953 0.000 2 1187 100 99 LYS HG2 H 1.383 0.000 2 1188 100 99 LYS HG3 H 1.383 0.000 2 1189 100 99 LYS C C 176.405 0.005 1 1190 100 99 LYS CA C 56.299 0.017 1 1191 100 99 LYS CB C 33.377 0.044 1 1192 100 99 LYS CD C 29.126 0.000 1 1193 100 99 LYS CE C 42.144 0.000 1 1194 100 99 LYS CG C 24.928 0.000 1 1195 100 99 LYS N N 123.274 0.025 1 1196 101 100 LYS H H 8.433 0.000 1 1197 101 100 LYS HA H 4.265 0.000 1 1198 101 100 LYS HB2 H 1.726 0.000 2 1199 101 100 LYS HB3 H 1.726 0.000 2 1200 101 100 LYS HD2 H 1.645 0.000 2 1201 101 100 LYS HD3 H 1.645 0.000 2 1202 101 100 LYS HE2 H 2.964 0.000 2 1203 101 100 LYS HE3 H 2.964 0.000 2 1204 101 100 LYS HG2 H 1.388 0.000 2 1205 101 100 LYS HG3 H 1.388 0.000 2 1206 101 100 LYS C C 176.072 0.007 1 1207 101 100 LYS CA C 56.245 0.056 1 1208 101 100 LYS CB C 33.354 0.013 1 1209 101 100 LYS CD C 29.239 0.000 1 1210 101 100 LYS CE C 42.077 0.000 1 1211 101 100 LYS CG C 24.799 0.000 1 1212 101 100 LYS N N 123.387 0.036 1 1213 102 101 ALA H H 8.378 0.003 1 1214 102 101 ALA HA H 4.272 0.000 1 1215 102 101 ALA HB H 1.347 0.000 1 1216 102 101 ALA C C 177.495 0.006 1 1217 102 101 ALA CA C 52.260 0.162 1 1218 102 101 ALA CB C 19.523 0.091 1 1219 102 101 ALA N N 126.052 0.025 1 1220 103 102 LYS H H 8.333 0.000 1 1221 103 102 LYS HA H 4.259 0.000 1 1222 103 102 LYS HB2 H 1.750 0.000 2 1223 103 102 LYS HB3 H 1.750 0.000 2 1224 103 102 LYS HD2 H 1.650 0.000 2 1225 103 102 LYS HD3 H 1.650 0.000 2 1226 103 102 LYS HE2 H 2.966 0.000 2 1227 103 102 LYS HE3 H 2.966 0.000 2 1228 103 102 LYS HG2 H 1.402 0.000 2 1229 103 102 LYS HG3 H 1.402 0.000 2 1230 103 102 LYS C C 176.513 0.007 1 1231 103 102 LYS CA C 56.287 0.087 1 1232 103 102 LYS CB C 33.230 0.032 1 1233 103 102 LYS CD C 29.149 0.000 1 1234 103 102 LYS CE C 42.138 0.000 1 1235 103 102 LYS CG C 24.823 0.000 1 1236 103 102 LYS N N 121.384 0.037 1 1237 104 103 LYS H H 8.365 0.001 1 1238 104 103 LYS HA H 4.267 0.000 1 1239 104 103 LYS HB2 H 1.753 0.000 2 1240 104 103 LYS HB3 H 1.753 0.000 2 1241 104 103 LYS HD2 H 1.653 0.000 2 1242 104 103 LYS HD3 H 1.653 0.000 2 1243 104 103 LYS HE2 H 2.970 0.000 2 1244 104 103 LYS HE3 H 2.970 0.000 2 1245 104 103 LYS HG2 H 1.405 0.000 2 1246 104 103 LYS HG3 H 1.405 0.000 2 1247 104 103 LYS C C 176.156 0.004 1 1248 104 103 LYS CA C 56.282 0.014 1 1249 104 103 LYS CB C 33.363 0.055 1 1250 104 103 LYS CD C 29.150 0.000 1 1251 104 103 LYS CE C 42.108 0.000 1 1252 104 103 LYS CG C 24.769 0.000 1 1253 104 103 LYS N N 123.013 0.005 1 1254 105 104 ALA H H 8.371 0.001 1 1255 105 104 ALA HA H 4.315 0.000 1 1256 105 104 ALA HB H 1.377 0.000 1 1257 105 104 ALA C C 177.697 0.002 1 1258 105 104 ALA CA C 52.585 0.102 1 1259 105 104 ALA CB C 19.257 0.077 1 1260 105 104 ALA N N 125.783 0.053 1 1261 106 105 VAL H H 8.034 0.001 1 1262 106 105 VAL HA H 4.090 0.000 1 1263 106 105 VAL HB H 2.088 0.000 1 1264 106 105 VAL HG1 H 0.918 0.000 2 1265 106 105 VAL HG2 H 0.917 0.000 2 1266 106 105 VAL C C 176.288 0.002 1 1267 106 105 VAL CA C 62.457 0.043 1 1268 106 105 VAL CB C 32.789 0.060 1 1269 106 105 VAL CG1 C 21.356 0.000 2 1270 106 105 VAL CG2 C 20.583 0.000 2 1271 106 105 VAL N N 118.428 0.016 1 1272 107 106 GLU H H 8.442 0.000 1 1273 107 106 GLU HA H 4.248 0.000 1 1274 107 106 GLU HB2 H 2.038 0.000 2 1275 107 106 GLU HB3 H 1.925 0.000 2 1276 107 106 GLU HG2 H 2.250 0.000 2 1277 107 106 GLU HG3 H 2.250 0.000 2 1278 107 106 GLU C C 176.418 0.004 1 1279 107 106 GLU CA C 56.827 0.147 1 1280 107 106 GLU CB C 30.131 0.032 1 1281 107 106 GLU CG C 36.231 0.000 1 1282 107 106 GLU N N 123.222 0.021 1 1283 108 107 GLU H H 8.268 0.001 1 1284 108 107 GLU HA H 4.240 0.003 1 1285 108 107 GLU HB2 H 2.018 0.000 2 1286 108 107 GLU HB3 H 1.907 0.000 2 1287 108 107 GLU HG2 H 2.228 0.000 2 1288 108 107 GLU HG3 H 2.228 0.000 2 1289 108 107 GLU C C 175.909 0.007 1 1290 108 107 GLU CA C 56.761 0.057 1 1291 108 107 GLU CB C 30.471 0.087 1 1292 108 107 GLU CG C 36.222 0.000 1 1293 108 107 GLU N N 120.709 0.008 1 1294 109 108 ASP H H 8.308 0.001 1 1295 109 108 ASP HA H 4.569 0.000 1 1296 109 108 ASP HB2 H 2.721 0.000 2 1297 109 108 ASP HB3 H 2.584 0.000 2 1298 109 108 ASP C C 175.901 0.001 1 1299 109 108 ASP CA C 54.360 0.012 1 1300 109 108 ASP CB C 40.528 0.520 1 1301 109 108 ASP N N 120.703 0.036 1 1302 110 109 LEU H H 8.040 0.001 1 1303 110 109 LEU HA H 4.299 0.000 1 1304 110 109 LEU HB2 H 1.567 0.000 2 1305 110 109 LEU HB3 H 1.567 0.000 2 1306 110 109 LEU HD1 H 0.878 0.000 2 1307 110 109 LEU HD2 H 0.825 0.000 2 1308 110 109 LEU HG H 1.569 0.000 1 1309 110 109 LEU C C 176.923 0.006 1 1310 110 109 LEU CA C 55.116 0.034 1 1311 110 109 LEU CB C 42.616 0.130 1 1312 110 109 LEU CD1 C 25.054 0.000 2 1313 110 109 LEU CD2 C 23.483 0.000 2 1314 110 109 LEU CG C 26.967 0.000 1 1315 110 109 LEU N N 122.123 0.039 1 1316 111 110 ASP H H 8.358 0.001 1 1317 111 110 ASP HA H 4.589 0.000 1 1318 111 110 ASP HB2 H 2.716 0.000 2 1319 111 110 ASP HB3 H 2.583 0.000 2 1320 111 110 ASP C C 175.990 0.006 1 1321 111 110 ASP CA C 54.213 0.033 1 1322 111 110 ASP CB C 40.918 0.049 1 1323 111 110 ASP N N 121.043 0.053 1 1324 112 111 LEU H H 8.047 0.003 1 1325 112 111 LEU HA H 4.289 0.000 1 1326 112 111 LEU HB2 H 1.587 0.000 2 1327 112 111 LEU HB3 H 1.587 0.000 2 1328 112 111 LEU HD1 H 0.891 0.000 2 1329 112 111 LEU HD2 H 0.830 0.000 2 1330 112 111 LEU HG H 1.578 0.000 1 1331 112 111 LEU C C 177.228 0.003 1 1332 112 111 LEU CA C 55.261 0.328 1 1333 112 111 LEU CB C 42.599 0.048 1 1334 112 111 LEU CD1 C 25.116 0.000 2 1335 112 111 LEU CD2 C 23.448 0.000 2 1336 112 111 LEU CG C 26.891 0.000 1 1337 112 111 LEU N N 122.357 0.014 1 1338 113 112 ASP H H 8.325 0.001 1 1339 113 112 ASP HA H 4.549 0.000 1 1340 113 112 ASP HB2 H 2.600 0.000 2 1341 113 112 ASP HB3 H 2.600 0.000 2 1342 113 112 ASP C C 176.144 0.004 1 1343 113 112 ASP CA C 54.560 0.035 1 1344 113 112 ASP CB C 41.203 0.076 1 1345 113 112 ASP N N 121.055 0.005 1 1346 114 113 GLU H H 8.140 0.001 1 1347 114 113 GLU HA H 4.204 0.002 1 1348 114 113 GLU HB2 H 1.833 0.000 2 1349 114 113 GLU HB3 H 1.833 0.000 2 1350 114 113 GLU HG2 H 2.061 0.000 2 1351 114 113 GLU HG3 H 2.061 0.000 2 1352 114 113 GLU C C 175.949 0.019 1 1353 114 113 GLU CA C 56.551 0.066 1 1354 114 113 GLU CB C 30.437 0.035 1 1355 114 113 GLU CG C 35.864 0.000 1 1356 114 113 GLU N N 120.518 0.005 1 1357 115 114 PHE H H 8.188 0.006 1 1358 115 114 PHE HA H 4.639 0.001 1 1359 115 114 PHE HB2 H 3.119 0.000 2 1360 115 114 PHE HB3 H 2.987 0.002 2 1361 115 114 PHE C C 175.369 0.005 1 1362 115 114 PHE CA C 57.481 0.040 1 1363 115 114 PHE CB C 39.892 0.029 1 1364 115 114 PHE N N 120.560 0.048 1 1365 116 115 GLU H H 8.174 0.006 1 1366 116 115 GLU HA H 4.274 0.000 1 1367 116 115 GLU HB2 H 1.922 0.000 2 1368 116 115 GLU HB3 H 1.922 0.000 2 1369 116 115 GLU HG2 H 2.194 0.000 2 1370 116 115 GLU HG3 H 2.194 0.000 2 1371 116 115 GLU C C 175.651 0.003 1 1372 116 115 GLU CA C 56.107 0.069 1 1373 116 115 GLU CB C 30.877 0.028 1 1374 116 115 GLU CG C 35.902 0.000 1 1375 116 115 GLU N N 122.511 0.033 1 1376 117 116 GLU H H 8.384 0.001 1 1377 117 116 GLU HA H 4.312 0.002 1 1378 117 116 GLU HB2 H 1.967 0.000 2 1379 117 116 GLU HB3 H 1.919 0.000 2 1380 117 116 GLU HG2 H 2.245 0.000 2 1381 117 116 GLU HG3 H 2.245 0.000 2 1382 117 116 GLU C C 175.991 0.002 1 1383 117 116 GLU CA C 56.189 0.081 1 1384 117 116 GLU CB C 30.415 0.037 1 1385 117 116 GLU CG C 36.027 0.000 1 1386 117 116 GLU N N 122.800 0.018 1 1387 118 117 ILE H H 8.233 0.006 1 1388 118 117 ILE HA H 4.188 0.000 1 1389 118 117 ILE HB H 1.818 0.000 1 1390 118 117 ILE HD1 H 0.817 0.000 . 1391 118 117 ILE HG12 H 1.419 0.000 2 1392 118 117 ILE HG13 H 1.122 0.000 2 1393 118 117 ILE HG2 H 0.867 0.000 . 1394 118 117 ILE C C 175.590 0.003 1 1395 118 117 ILE CA C 60.738 0.057 1 1396 118 117 ILE CB C 39.358 0.042 1 1397 118 117 ILE CD1 C 12.935 0.000 1 1398 118 117 ILE CG1 C 27.142 0.014 1 1399 118 117 ILE CG2 C 17.611 0.000 1 1400 118 117 ILE N N 122.509 0.020 1 1401 119 118 ASP H H 8.481 0.001 1 1402 119 118 ASP HA H 4.647 0.000 1 1403 119 118 ASP HB2 H 2.721 0.000 2 1404 119 118 ASP HB3 H 2.555 0.000 2 1405 119 118 ASP C C 176.109 0.003 1 1406 119 118 ASP CA C 54.055 0.034 1 1407 119 118 ASP CB C 41.331 0.044 1 1408 119 118 ASP N N 125.291 0.015 1 1409 120 119 GLU H H 8.433 0.001 1 1410 120 119 GLU HA H 4.248 0.000 1 1411 120 119 GLU HB2 H 2.053 0.000 2 1412 120 119 GLU HB3 H 1.897 0.000 2 1413 120 119 GLU HG2 H 2.249 0.000 2 1414 120 119 GLU HG3 H 2.249 0.000 2 1415 120 119 GLU C C 176.235 0.002 1 1416 120 119 GLU CA C 56.636 0.097 1 1417 120 119 GLU CB C 30.477 0.079 1 1418 120 119 GLU CG C 36.012 0.000 1 1419 120 119 GLU N N 122.271 0.005 1 1420 121 120 ASP H H 8.405 0.002 1 1421 121 120 ASP HA H 4.571 0.000 1 1422 121 120 ASP HB2 H 2.624 0.000 2 1423 121 120 ASP HB3 H 2.624 0.000 2 1424 121 120 ASP C C 175.969 0.003 1 1425 121 120 ASP CA C 54.603 0.038 1 1426 121 120 ASP CB C 41.242 0.019 1 1427 121 120 ASP N N 121.098 0.021 1 1428 122 121 ASP H H 8.224 0.003 1 1429 122 121 ASP HA H 4.569 0.000 1 1430 122 121 ASP HB2 H 2.721 0.000 2 1431 122 121 ASP HB3 H 2.584 0.000 2 1432 122 121 ASP C C 176.000 0.007 1 1433 122 121 ASP CA C 54.384 0.034 1 1434 122 121 ASP CB C 40.852 0.044 1 1435 122 121 ASP N N 120.532 0.041 1 1436 123 122 LEU H H 8.041 0.001 1 1437 123 122 LEU HA H 4.279 0.000 1 1438 123 122 LEU HB2 H 1.608 0.000 2 1439 123 122 LEU HB3 H 1.538 0.000 2 1440 123 122 LEU HD1 H 0.891 0.000 2 1441 123 122 LEU HD2 H 0.835 0.000 2 1442 123 122 LEU HG H 1.584 0.000 1 1443 123 122 LEU C C 176.999 0.001 1 1444 123 122 LEU CA C 55.243 0.071 1 1445 123 122 LEU CB C 42.649 0.050 1 1446 123 122 LEU CD1 C 25.033 0.000 2 1447 123 122 LEU CD2 C 23.512 0.000 2 1448 123 122 LEU CG C 26.921 0.000 1 1449 123 122 LEU N N 122.187 0.038 1 1450 124 123 ASP H H 8.354 0.002 1 1451 124 123 ASP HA H 4.598 0.000 1 1452 124 123 ASP HB2 H 2.731 0.000 2 1453 124 123 ASP HB3 H 2.551 0.000 2 1454 124 123 ASP C C 176.019 0.002 1 1455 124 123 ASP CA C 53.970 0.117 1 1456 124 123 ASP CB C 40.835 0.033 1 1457 124 123 ASP N N 121.276 0.074 1 1458 125 124 LEU H H 8.120 0.000 1 1459 125 124 LEU HA H 4.298 0.000 1 1460 125 124 LEU HB2 H 1.587 0.002 2 1461 125 124 LEU HB3 H 1.587 0.002 2 1462 125 124 LEU HD1 H 0.895 0.000 2 1463 125 124 LEU HD2 H 0.834 0.000 2 1464 125 124 LEU HG H 1.587 0.000 1 1465 125 124 LEU C C 177.240 0.012 1 1466 125 124 LEU CA C 55.111 0.067 1 1467 125 124 LEU CB C 42.503 0.036 1 1468 125 124 LEU CD1 C 25.115 0.000 2 1469 125 124 LEU CD2 C 23.362 0.000 2 1470 125 124 LEU CG C 26.856 0.000 1 1471 125 124 LEU N N 122.718 0.015 1 1472 126 125 ASP H H 8.317 0.001 1 1473 126 125 ASP HA H 4.568 0.000 1 1474 126 125 ASP HB2 H 2.655 0.000 2 1475 126 125 ASP HB3 H 2.599 0.000 2 1476 126 125 ASP C C 176.062 0.011 1 1477 126 125 ASP CA C 54.441 0.083 1 1478 126 125 ASP CB C 41.157 0.058 1 1479 126 125 ASP N N 121.059 0.004 1 1480 127 126 GLU H H 8.198 0.001 1 1481 127 126 GLU HA H 4.301 0.000 1 1482 127 126 GLU HB2 H 2.018 0.000 2 1483 127 126 GLU HB3 H 1.891 0.000 2 1484 127 126 GLU HG2 H 2.228 0.000 2 1485 127 126 GLU HG3 H 2.228 0.000 2 1486 127 126 GLU C C 176.204 0.003 1 1487 127 126 GLU CA C 56.308 0.044 1 1488 127 126 GLU CB C 30.389 0.093 1 1489 127 126 GLU CG C 35.962 0.000 1 1490 127 126 GLU N N 121.082 0.026 1 1491 128 127 VAL H H 8.151 0.008 1 1492 128 127 VAL HA H 4.099 0.000 1 1493 128 127 VAL HB H 2.039 0.000 1 1494 128 127 VAL HG1 H 0.897 0.000 2 1495 128 127 VAL HG2 H 0.911 0.000 2 1496 128 127 VAL C C 176.035 0.007 1 1497 128 127 VAL CA C 62.194 0.074 1 1498 128 127 VAL CB C 33.004 0.055 1 1499 128 127 VAL CG1 C 21.265 0.000 2 1500 128 127 VAL CG2 C 20.787 0.000 2 1501 128 127 VAL N N 121.666 0.038 1 1502 129 128 GLU H H 8.471 0.000 1 1503 129 128 GLU HA H 4.290 0.000 1 1504 129 128 GLU HB2 H 1.983 0.000 2 1505 129 128 GLU HB3 H 1.908 0.000 2 1506 129 128 GLU HG2 H 2.252 0.000 2 1507 129 128 GLU HG3 H 2.252 0.000 2 1508 129 128 GLU C C 176.200 0.002 1 1509 129 128 GLU CA C 56.439 0.149 1 1510 129 128 GLU CB C 30.404 0.105 1 1511 129 128 GLU CG C 35.985 0.000 1 1512 129 128 GLU N N 125.352 0.029 1 1513 130 129 GLU H H 8.415 0.001 1 1514 130 129 GLU HA H 4.261 0.001 1 1515 130 129 GLU HB2 H 1.930 0.000 2 1516 130 129 GLU HB3 H 1.930 0.000 2 1517 130 129 GLU HG2 H 2.231 0.000 2 1518 130 129 GLU HG3 H 2.231 0.000 2 1519 130 129 GLU C C 176.124 0.002 1 1520 130 129 GLU CA C 56.410 0.045 1 1521 130 129 GLU CB C 30.625 0.098 1 1522 130 129 GLU CG C 36.018 0.000 1 1523 130 129 GLU N N 122.876 0.026 1 1524 131 130 GLU H H 8.477 0.002 1 1525 131 130 GLU HA H 4.267 0.000 1 1526 131 130 GLU HB2 H 1.941 0.000 2 1527 131 130 GLU HB3 H 1.941 0.000 2 1528 131 130 GLU HG2 H 2.243 0.000 2 1529 131 130 GLU HG3 H 2.243 0.000 2 1530 131 130 GLU C C 176.093 0.002 1 1531 131 130 GLU CA C 56.386 0.051 1 1532 131 130 GLU CB C 30.440 0.030 1 1533 131 130 GLU CG C 35.995 0.000 1 1534 131 130 GLU N N 122.909 0.019 1 1535 132 131 LEU H H 8.282 0.000 1 1536 132 131 LEU HA H 4.322 0.000 1 1537 132 131 LEU HB2 H 1.554 0.002 2 1538 132 131 LEU HB3 H 1.554 0.002 2 1539 132 131 LEU HD1 H 0.889 0.000 2 1540 132 131 LEU HD2 H 0.834 0.000 2 1541 132 131 LEU HG H 1.572 0.000 1 1542 132 131 LEU C C 176.815 0.003 1 1543 132 131 LEU CA C 55.014 0.041 1 1544 132 131 LEU CB C 42.884 0.032 1 1545 132 131 LEU CD1 C 24.924 0.000 2 1546 132 131 LEU CD2 C 23.527 0.000 2 1547 132 131 LEU CG C 27.000 0.000 1 1548 132 131 LEU N N 124.118 0.025 1 1549 133 132 ASP H H 8.413 0.001 1 1550 133 132 ASP HA H 4.609 0.000 1 1551 133 132 ASP HB2 H 2.721 0.000 2 1552 133 132 ASP HB3 H 2.551 0.000 2 1553 133 132 ASP C C 175.958 0.004 1 1554 133 132 ASP CA C 53.929 0.058 1 1555 133 132 ASP CB C 40.827 0.030 1 1556 133 132 ASP N N 121.868 0.008 1 1557 134 133 LEU H H 8.176 0.001 1 1558 134 133 LEU HA H 4.292 0.000 1 1559 134 133 LEU HB2 H 1.589 0.000 2 1560 134 133 LEU HB3 H 1.589 0.000 2 1561 134 133 LEU HD1 H 0.895 0.000 2 1562 134 133 LEU HD2 H 0.841 0.000 2 1563 134 133 LEU HG H 1.593 0.000 1 1564 134 133 LEU C C 177.486 0.004 1 1565 134 133 LEU CA C 55.319 0.152 1 1566 134 133 LEU CB C 42.527 0.030 1 1567 134 133 LEU CD1 C 25.028 0.000 2 1568 134 133 LEU CD2 C 23.384 0.000 2 1569 134 133 LEU CG C 26.933 0.000 1 1570 134 133 LEU N N 123.211 0.014 1 1571 135 134 GLU H H 8.364 0.002 1 1572 135 134 GLU HA H 4.252 0.000 1 1573 135 134 GLU HB2 H 2.048 0.000 2 1574 135 134 GLU HB3 H 1.908 0.000 2 1575 135 134 GLU HG2 H 2.248 0.000 2 1576 135 134 GLU HG3 H 2.248 0.000 2 1577 135 134 GLU C C 176.060 0.002 1 1578 135 134 GLU CA C 56.236 0.101 1 1579 135 134 GLU CB C 30.058 0.052 1 1580 135 134 GLU CG C 35.989 0.000 1 1581 135 134 GLU N N 121.501 0.039 1 1582 136 135 ALA H H 8.160 0.007 1 1583 136 135 ALA HA H 4.262 0.000 1 1584 136 135 ALA HB H 1.356 0.000 1 1585 136 135 ALA C C 177.360 0.002 1 1586 136 135 ALA CA C 52.392 0.162 1 1587 136 135 ALA CB C 19.502 0.117 1 1588 136 135 ALA N N 125.249 0.040 1 1589 137 136 ASP H H 8.264 0.000 1 1590 137 136 ASP HA H 4.538 0.000 1 1591 137 136 ASP HB2 H 2.541 0.000 2 1592 137 136 ASP HB3 H 2.541 0.000 2 1593 137 136 ASP C C 175.719 0.001 1 1594 137 136 ASP CA C 54.145 0.056 1 1595 137 136 ASP CB C 41.299 0.025 1 1596 137 136 ASP N N 120.084 0.016 1 1597 138 137 ASP H H 8.146 0.001 1 1598 138 137 ASP HA H 4.557 0.000 1 1599 138 137 ASP HB2 H 2.551 0.000 2 1600 138 137 ASP HB3 H 2.551 0.000 2 1601 138 137 ASP C C 175.679 0.004 1 1602 138 137 ASP CA C 54.043 0.038 1 1603 138 137 ASP CB C 41.299 0.151 1 1604 138 137 ASP N N 120.495 0.018 1 1605 139 138 PHE H H 8.092 0.004 1 1606 139 138 PHE HA H 4.580 0.000 1 1607 139 138 PHE HB2 H 3.114 0.000 2 1608 139 138 PHE HB3 H 3.003 0.000 2 1609 139 138 PHE C C 175.271 0.008 1 1610 139 138 PHE CA C 57.552 0.059 1 1611 139 138 PHE CB C 39.712 0.063 1 1612 139 138 PHE N N 120.536 0.020 1 1613 140 139 ASP H H 8.288 0.000 1 1614 140 139 ASP HA H 4.588 0.000 1 1615 140 139 ASP HB2 H 2.658 0.000 2 1616 140 139 ASP HB3 H 2.547 0.000 2 1617 140 139 ASP C C 175.762 0.003 1 1618 140 139 ASP CA C 54.070 0.016 1 1619 140 139 ASP CB C 41.243 0.092 1 1620 140 139 ASP N N 122.708 0.008 1 1621 141 140 GLU H H 8.260 0.001 1 1622 141 140 GLU HA H 4.238 0.002 1 1623 141 140 GLU HB2 H 2.047 0.000 2 1624 141 140 GLU HB3 H 1.890 0.000 2 1625 141 140 GLU HG2 H 2.257 0.000 2 1626 141 140 GLU HG3 H 2.257 0.000 2 1627 141 140 GLU C C 176.346 0.004 1 1628 141 140 GLU CA C 56.507 0.084 1 1629 141 140 GLU CB C 30.390 0.025 1 1630 141 140 GLU CG C 35.930 0.000 1 1631 141 140 GLU N N 121.792 0.048 1 1632 142 141 GLU H H 8.396 0.000 1 1633 142 141 GLU HA H 4.246 0.003 1 1634 142 141 GLU HB2 H 1.999 0.000 2 1635 142 141 GLU HB3 H 1.899 0.000 2 1636 142 141 GLU HG2 H 2.238 0.000 2 1637 142 141 GLU HG3 H 2.238 0.000 2 1638 142 141 GLU C C 175.963 0.004 1 1639 142 141 GLU CA C 56.490 0.056 1 1640 142 141 GLU CB C 30.491 0.070 1 1641 142 141 GLU CG C 35.955 0.000 1 1642 142 141 GLU N N 121.938 0.045 1 1643 143 142 ASP H H 8.383 0.001 1 1644 143 142 ASP HA H 4.605 0.000 1 1645 143 142 ASP HB2 H 2.720 0.000 2 1646 143 142 ASP HB3 H 2.554 0.000 2 1647 143 142 ASP C C 175.843 0.002 1 1648 143 142 ASP CA C 54.137 0.024 1 1649 143 142 ASP CB C 40.948 0.053 1 1650 143 142 ASP N N 121.910 0.017 1 1651 144 143 LEU H H 8.188 0.000 1 1652 144 143 LEU HA H 4.309 0.000 1 1653 144 143 LEU HB2 H 1.585 0.000 2 1654 144 143 LEU HB3 H 1.585 0.000 2 1655 144 143 LEU HD1 H 0.889 0.000 2 1656 144 143 LEU HD2 H 0.835 0.000 2 1657 144 143 LEU HG H 1.573 0.000 1 1658 144 143 LEU C C 177.056 0.002 1 1659 144 143 LEU CA C 55.277 0.438 1 1660 144 143 LEU CB C 42.585 0.060 1 1661 144 143 LEU CD1 C 25.018 0.000 2 1662 144 143 LEU CD2 C 23.370 0.000 2 1663 144 143 LEU CG C 26.963 0.000 1 1664 144 143 LEU N N 123.121 0.007 1 1665 145 144 ASP H H 8.367 0.000 1 1666 145 144 ASP HA H 4.598 0.000 1 1667 145 144 ASP HB2 H 2.715 0.000 2 1668 145 144 ASP HB3 H 2.564 0.000 2 1669 145 144 ASP C C 176.001 0.003 1 1670 145 144 ASP CA C 54.253 0.015 1 1671 145 144 ASP CB C 41.073 0.019 1 1672 145 144 ASP N N 121.786 0.030 1 1673 146 145 GLU H H 8.311 0.000 1 1674 146 145 GLU HA H 4.293 0.003 1 1675 146 145 GLU HB2 H 2.039 0.000 2 1676 146 145 GLU HB3 H 1.877 0.000 2 1677 146 145 GLU HG2 H 2.241 0.000 2 1678 146 145 GLU HG3 H 2.241 0.000 2 1679 146 145 GLU C C 176.024 0.003 1 1680 146 145 GLU CA C 56.202 0.062 1 1681 146 145 GLU CB C 30.461 0.135 1 1682 146 145 GLU CG C 35.818 0.000 1 1683 146 145 GLU N N 121.501 0.007 1 1684 147 146 ASP H H 8.408 0.000 1 1685 147 146 ASP HA H 4.600 0.000 1 1686 147 146 ASP HB2 H 2.706 0.000 2 1687 147 146 ASP HB3 H 2.586 0.000 2 1688 147 146 ASP C C 175.857 0.002 1 1689 147 146 ASP CA C 54.138 0.121 1 1690 147 146 ASP CB C 41.267 0.018 1 1691 147 146 ASP N N 121.906 0.015 1 1692 148 147 ASP H H 8.320 0.002 1 1693 148 147 ASP HA H 4.591 0.000 1 1694 148 147 ASP HB2 H 2.687 0.000 2 1695 148 147 ASP HB3 H 2.608 0.000 2 1696 148 147 ASP C C 176.010 0.004 1 1697 148 147 ASP CA C 54.218 0.022 1 1698 148 147 ASP CB C 41.123 0.084 1 1699 148 147 ASP N N 121.368 0.023 1 1700 149 148 ASP H H 8.323 0.001 1 1701 149 148 ASP HA H 4.565 0.000 1 1702 149 148 ASP HB2 H 2.628 0.000 2 1703 149 148 ASP HB3 H 2.628 0.000 2 1704 149 148 ASP C C 175.983 0.008 1 1705 149 148 ASP CA C 54.385 0.141 1 1706 149 148 ASP CB C 41.167 0.025 1 1707 149 148 ASP N N 121.116 0.007 1 1708 150 149 ASP H H 8.308 0.003 1 1709 150 149 ASP HA H 4.589 0.000 1 1710 150 149 ASP HB2 H 2.716 0.000 2 1711 150 149 ASP HB3 H 2.583 0.000 2 1712 150 149 ASP C C 175.989 0.006 1 1713 150 149 ASP CA C 54.225 0.021 1 1714 150 149 ASP CB C 40.896 0.019 1 1715 150 149 ASP N N 120.680 0.013 1 1716 151 150 LEU H H 8.043 0.002 1 1717 151 150 LEU HA H 4.284 0.000 1 1718 151 150 LEU HB2 H 1.584 0.002 2 1719 151 150 LEU HB3 H 1.584 0.002 2 1720 151 150 LEU HD1 H 0.900 0.000 2 1721 151 150 LEU HD2 H 0.844 0.000 2 1722 151 150 LEU HG H 1.566 0.000 1 1723 151 150 LEU C C 177.259 0.003 1 1724 151 150 LEU CA C 55.209 0.062 1 1725 151 150 LEU CB C 42.533 0.042 1 1726 151 150 LEU CD1 C 24.922 0.000 2 1727 151 150 LEU CD2 C 23.639 0.000 2 1728 151 150 LEU CG C 26.930 0.000 1 1729 151 150 LEU N N 122.351 0.008 1 1730 152 151 GLU H H 8.345 0.001 1 1731 152 151 GLU HA H 4.290 0.002 1 1732 152 151 GLU HB2 H 1.949 0.000 2 1733 152 151 GLU HB3 H 1.949 0.000 2 1734 152 151 GLU HG2 H 2.227 0.000 2 1735 152 151 GLU HG3 H 2.227 0.000 2 1736 152 151 GLU C C 176.022 0.003 1 1737 152 151 GLU CA C 56.172 0.119 1 1738 152 151 GLU CB C 30.044 0.030 1 1739 152 151 GLU CG C 35.858 0.000 1 1740 152 151 GLU N N 122.509 0.007 1 1741 153 152 ILE H H 8.157 0.001 1 1742 153 152 ILE HA H 4.152 0.000 1 1743 153 152 ILE HB H 1.815 0.000 1 1744 153 152 ILE HD1 H 0.833 0.000 . 1745 153 152 ILE HG12 H 1.426 0.000 2 1746 153 152 ILE HG13 H 1.146 0.000 2 1747 153 152 ILE HG2 H 0.862 0.000 . 1748 153 152 ILE C C 176.058 0.006 1 1749 153 152 ILE CA C 60.796 0.057 1 1750 153 152 ILE CB C 38.973 0.089 1 1751 153 152 ILE CD1 C 12.761 0.000 1 1752 153 152 ILE CG1 C 27.096 0.032 1 1753 153 152 ILE CG2 C 17.528 0.000 1 1754 153 152 ILE N N 122.733 0.011 1 1755 154 153 GLU H H 8.476 0.006 1 1756 154 153 GLU HA H 4.313 0.003 1 1757 154 153 GLU HB2 H 1.991 0.000 2 1758 154 153 GLU HB3 H 1.902 0.000 2 1759 154 153 GLU HG2 H 2.251 0.000 2 1760 154 153 GLU HG3 H 2.251 0.000 2 1761 154 153 GLU C C 176.072 0.006 1 1762 154 153 GLU CA C 56.286 0.080 1 1763 154 153 GLU CB C 30.403 0.047 1 1764 154 153 GLU CG C 35.929 0.000 1 1765 154 153 GLU N N 126.025 0.082 1 1766 155 154 GLU H H 8.425 0.001 1 1767 155 154 GLU HA H 4.272 0.001 1 1768 155 154 GLU HB2 H 2.005 0.000 2 1769 155 154 GLU HB3 H 1.873 0.000 2 1770 155 154 GLU HG2 H 2.233 0.000 2 1771 155 154 GLU HG3 H 2.233 0.000 2 1772 155 154 GLU C C 175.858 0.006 1 1773 155 154 GLU CA C 56.235 0.055 1 1774 155 154 GLU CB C 30.887 0.031 1 1775 155 154 GLU CG C 36.018 0.000 1 1776 155 154 GLU N N 122.904 0.026 1 1777 156 155 ASP H H 8.436 0.001 1 1778 156 155 ASP HA H 4.588 0.000 1 1779 156 155 ASP HB2 H 2.621 0.000 2 1780 156 155 ASP HB3 H 2.554 0.000 2 1781 156 155 ASP C C 175.705 0.007 1 1782 156 155 ASP CA C 54.175 0.074 1 1783 156 155 ASP CB C 41.124 0.065 1 1784 156 155 ASP N N 122.353 0.026 1 1785 157 156 ILE H H 8.156 0.008 1 1786 157 156 ILE HA H 4.136 0.000 1 1787 157 156 ILE HB H 1.814 0.000 1 1788 157 156 ILE HD1 H 0.828 0.000 . 1789 157 156 ILE HG12 H 1.440 0.000 2 1790 157 156 ILE HG13 H 1.160 0.000 2 1791 157 156 ILE HG2 H 0.840 0.000 . 1792 157 156 ILE C C 176.048 0.002 1 1793 157 156 ILE CA C 60.959 0.030 1 1794 157 156 ILE CB C 38.605 0.107 1 1795 157 156 ILE CD1 C 12.691 0.000 1 1796 157 156 ILE CG1 C 27.163 0.005 1 1797 157 156 ILE CG2 C 17.558 0.000 1 1798 157 156 ILE N N 122.016 0.042 1 1799 158 157 ILE H H 8.258 0.001 1 1800 158 157 ILE HA H 4.171 0.000 1 1801 158 157 ILE HB H 1.822 0.000 1 1802 158 157 ILE HD1 H 0.816 0.000 . 1803 158 157 ILE HG12 H 1.410 0.000 2 1804 158 157 ILE HG13 H 1.140 0.000 2 1805 158 157 ILE HG2 H 0.855 0.000 . 1806 158 157 ILE C C 175.620 0.002 1 1807 158 157 ILE CA C 60.621 0.091 1 1808 158 157 ILE CB C 38.814 0.099 1 1809 158 157 ILE CD1 C 12.640 0.000 1 1810 158 157 ILE CG1 C 27.101 0.027 1 1811 158 157 ILE CG2 C 17.487 0.000 1 1812 158 157 ILE N N 126.220 0.034 1 1813 159 158 ASP H H 8.439 0.003 1 1814 159 158 ASP HA H 4.620 0.000 1 1815 159 158 ASP HB2 H 2.700 0.000 2 1816 159 158 ASP HB3 H 2.538 0.000 2 1817 159 158 ASP C C 175.892 0.005 1 1818 159 158 ASP CA C 54.100 0.033 1 1819 159 158 ASP CB C 41.321 0.032 1 1820 159 158 ASP N N 125.723 0.092 1 1821 160 159 GLU H H 8.385 0.001 1 1822 160 159 GLU HA H 4.275 0.002 1 1823 160 159 GLU HB2 H 2.039 0.000 2 1824 160 159 GLU HB3 H 1.876 0.000 2 1825 160 159 GLU HG2 H 2.240 0.000 2 1826 160 159 GLU HG3 H 2.240 0.000 2 1827 160 159 GLU C C 176.003 0.005 1 1828 160 159 GLU CA C 56.559 0.211 1 1829 160 159 GLU CB C 30.548 0.065 1 1830 160 159 GLU CG C 35.863 0.000 1 1831 160 159 GLU N N 122.221 0.022 1 1832 161 160 ASP H H 8.417 0.000 1 1833 161 160 ASP HA H 4.607 0.000 1 1834 161 160 ASP HB2 H 2.707 0.000 2 1835 161 160 ASP HB3 H 2.597 0.000 2 1836 161 160 ASP C C 175.854 0.003 1 1837 161 160 ASP CA C 54.282 0.020 1 1838 161 160 ASP CB C 41.194 0.032 1 1839 161 160 ASP N N 121.726 0.013 1 1840 162 161 ASP H H 8.284 0.002 1 1841 162 161 ASP HA H 4.591 0.000 1 1842 162 161 ASP HB2 H 2.639 0.000 2 1843 162 161 ASP HB3 H 2.639 0.000 2 1844 162 161 ASP C C 176.160 0.002 1 1845 162 161 ASP CA C 54.248 0.022 1 1846 162 161 ASP CB C 41.199 0.009 1 1847 162 161 ASP N N 121.406 0.024 1 1848 163 162 GLU H H 8.267 0.000 1 1849 163 162 GLU HA H 4.201 0.001 1 1850 163 162 GLU HB2 H 1.885 0.000 2 1851 163 162 GLU HB3 H 1.885 0.000 2 1852 163 162 GLU HG2 H 2.198 0.000 2 1853 163 162 GLU HG3 H 2.198 0.000 2 1854 163 162 GLU C C 175.765 0.004 1 1855 163 162 GLU CA C 56.529 0.137 1 1856 163 162 GLU CB C 30.327 0.022 1 1857 163 162 GLU CG C 35.736 0.000 1 1858 163 162 GLU N N 121.198 0.025 1 1859 164 163 ASP H H 8.266 0.000 1 1860 164 163 ASP HA H 4.587 0.000 1 1861 164 163 ASP HB2 H 2.637 0.000 2 1862 164 163 ASP HB3 H 2.508 0.000 2 1863 164 163 ASP C C 175.567 0.003 1 1864 164 163 ASP CA C 53.827 0.063 1 1865 164 163 ASP CB C 41.141 0.037 1 1866 164 163 ASP N N 121.407 0.011 1 1867 165 164 TYR H H 8.069 0.005 1 1868 165 164 TYR HA H 4.548 0.000 1 1869 165 164 TYR HB2 H 3.034 0.000 2 1870 165 164 TYR HB3 H 2.893 0.000 2 1871 165 164 TYR C C 175.364 0.002 1 1872 165 164 TYR CA C 57.727 0.032 1 1873 165 164 TYR CB C 39.054 0.032 1 1874 165 164 TYR N N 121.215 0.020 1 1875 166 165 ASP H H 8.280 0.002 1 1876 166 165 ASP HA H 4.596 0.000 1 1877 166 165 ASP HB2 H 2.664 0.000 2 1878 166 165 ASP HB3 H 2.554 0.000 2 1879 166 165 ASP C C 175.509 0.004 1 1880 166 165 ASP CA C 54.020 0.011 1 1881 166 165 ASP CB C 41.315 0.021 1 1882 166 165 ASP N N 122.778 0.016 1 1883 167 166 ASP H H 8.218 0.002 1 1884 167 166 ASP HA H 4.557 0.000 1 1885 167 166 ASP HB2 H 2.644 0.000 2 1886 167 166 ASP HB3 H 2.644 0.000 2 1887 167 166 ASP C C 176.233 0.004 1 1888 167 166 ASP CA C 54.258 0.058 1 1889 167 166 ASP CB C 41.175 0.022 1 1890 167 166 ASP N N 121.556 0.036 1 1891 168 167 GLU H H 8.325 0.000 1 1892 168 167 GLU HA H 4.252 0.001 1 1893 168 167 GLU HB2 H 2.045 0.000 2 1894 168 167 GLU HB3 H 1.931 0.000 2 1895 168 167 GLU HG2 H 2.260 0.000 2 1896 168 167 GLU HG3 H 2.260 0.000 2 1897 168 167 GLU C C 176.534 0.003 1 1898 168 167 GLU CA C 56.602 0.075 1 1899 168 167 GLU CB C 30.205 0.064 1 1900 168 167 GLU CG C 35.912 0.000 1 1901 168 167 GLU N N 121.133 0.023 1 1902 169 168 GLU H H 8.344 0.001 1 1903 169 168 GLU HA H 4.249 0.001 1 1904 169 168 GLU HB2 H 2.008 0.000 2 1905 169 168 GLU HB3 H 1.934 0.000 2 1906 169 168 GLU HG2 H 2.255 0.000 2 1907 169 168 GLU HG3 H 2.255 0.000 2 1908 169 168 GLU C C 176.404 0.001 1 1909 169 168 GLU CA C 56.507 0.060 1 1910 169 168 GLU CB C 30.339 0.042 1 1911 169 168 GLU CG C 35.973 0.000 1 1912 169 168 GLU N N 121.871 0.004 1 1913 170 169 GLU H H 8.345 0.001 1 1914 170 169 GLU HA H 4.238 0.001 1 1915 170 169 GLU HB2 H 1.989 0.000 2 1916 170 169 GLU HB3 H 1.925 0.000 2 1917 170 169 GLU HG2 H 2.247 0.000 2 1918 170 169 GLU HG3 H 2.247 0.000 2 1919 170 169 GLU C C 176.233 0.005 1 1920 170 169 GLU CA C 56.463 0.042 1 1921 170 169 GLU CB C 30.519 0.091 1 1922 170 169 GLU CG C 35.982 0.000 1 1923 170 169 GLU N N 122.300 0.023 1 1924 171 170 GLU H H 8.394 0.001 1 1925 171 170 GLU HA H 4.255 0.003 1 1926 171 170 GLU HB2 H 1.941 0.000 2 1927 171 170 GLU HB3 H 1.941 0.000 2 1928 171 170 GLU HG2 H 2.177 0.000 2 1929 171 170 GLU HG3 H 2.255 0.000 2 1930 171 170 GLU C C 176.044 0.002 1 1931 171 170 GLU CA C 56.434 0.040 1 1932 171 170 GLU CB C 30.480 0.040 1 1933 171 170 GLU CG C 36.040 0.000 1 1934 171 170 GLU N N 122.846 0.004 1 1935 172 171 ILE H H 8.263 0.001 1 1936 172 171 ILE HA H 4.115 0.000 1 1937 172 171 ILE HB H 1.844 0.000 1 1938 172 171 ILE HD1 H 0.831 0.000 . 1939 172 171 ILE HG12 H 1.482 0.000 2 1940 172 171 ILE HG13 H 1.178 0.000 2 1941 172 171 ILE HG2 H 0.886 0.000 . 1942 172 171 ILE C C 175.367 0.004 1 1943 172 171 ILE CA C 61.236 0.044 1 1944 172 171 ILE CB C 38.174 0.050 1 1945 172 171 ILE CD1 C 12.514 0.000 1 1946 172 171 ILE CG1 C 27.209 0.002 1 1947 172 171 ILE CG2 C 17.465 0.000 1 1948 172 171 ILE N N 124.073 0.012 1 1949 173 172 LYS H H 7.966 0.003 1 1950 173 172 LYS CA C 57.493 0.000 1 1951 173 172 LYS CB C 33.900 0.000 1 1952 173 172 LYS N N 131.653 0.032 1 stop_ save_