data_17418 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain assignments of intein from DNA polymerase II of Pyrococcus abyssi ; _BMRB_accession_number 17418 _BMRB_flat_file_name bmr17418.str _Entry_type original _Submission_date 2011-01-20 _Accession_date 2011-01-20 _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 Liu Jiajing . . 2 Du Zhenming . . 3 Albracht Clay . . 4 Mills Ken . . 5 Wang Chunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1074 "13C chemical shifts" 585 "15N chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-13 update author 'update chemical shifts' 2011-05-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N NMR assignments of the Pyrococcus abyssi DNA polymerase II intein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21519863 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Jiajing . . 2 Du Zhenming . . 3 Albracht Clayton D. . 4 Naidu Roshni O. . 5 Mills Kenneth V. . 6 Wang Chunyu . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 233 _Page_last 235 _Year 2011 _Details . loop_ _Keyword 'DNA POLYMERASE ii' INTEIN NMR 'PROTEIN SPLICING' 'PYROCOCCUS ABYSSI' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pab PolII intein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Pab PolII intein domain' $Pab_PolII stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pab_PolII _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pab_PolII _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; CFPGDTRILVQIDGVPQKIT LRELYELFEDERYENMVYVR KKPKREIKVYSIDLETGKVV LTDIEDVIKAPATDHLIRFE LEDGRSFETTVDHPVLVYEN GRFIEKRAFEVKEGDKVLVS ELELVEQSSSSQDNPKNENL GSPEHDQLLEIKNIKYVRAN DDFVFSLNAKKYHNVIINEN IVTHQ ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 PHE 3 PRO 4 GLY 5 ASP 6 THR 7 ARG 8 ILE 9 LEU 10 VAL 11 GLN 12 ILE 13 ASP 14 GLY 15 VAL 16 PRO 17 GLN 18 LYS 19 ILE 20 THR 21 LEU 22 ARG 23 GLU 24 LEU 25 TYR 26 GLU 27 LEU 28 PHE 29 GLU 30 ASP 31 GLU 32 ARG 33 TYR 34 GLU 35 ASN 36 MET 37 VAL 38 TYR 39 VAL 40 ARG 41 LYS 42 LYS 43 PRO 44 LYS 45 ARG 46 GLU 47 ILE 48 LYS 49 VAL 50 TYR 51 SER 52 ILE 53 ASP 54 LEU 55 GLU 56 THR 57 GLY 58 LYS 59 VAL 60 VAL 61 LEU 62 THR 63 ASP 64 ILE 65 GLU 66 ASP 67 VAL 68 ILE 69 LYS 70 ALA 71 PRO 72 ALA 73 THR 74 ASP 75 HIS 76 LEU 77 ILE 78 ARG 79 PHE 80 GLU 81 LEU 82 GLU 83 ASP 84 GLY 85 ARG 86 SER 87 PHE 88 GLU 89 THR 90 THR 91 VAL 92 ASP 93 HIS 94 PRO 95 VAL 96 LEU 97 VAL 98 TYR 99 GLU 100 ASN 101 GLY 102 ARG 103 PHE 104 ILE 105 GLU 106 LYS 107 ARG 108 ALA 109 PHE 110 GLU 111 VAL 112 LYS 113 GLU 114 GLY 115 ASP 116 LYS 117 VAL 118 LEU 119 VAL 120 SER 121 GLU 122 LEU 123 GLU 124 LEU 125 VAL 126 GLU 127 GLN 128 SER 129 SER 130 SER 131 SER 132 GLN 133 ASP 134 ASN 135 PRO 136 LYS 137 ASN 138 GLU 139 ASN 140 LEU 141 GLY 142 SER 143 PRO 144 GLU 145 HIS 146 ASP 147 GLN 148 LEU 149 LEU 150 GLU 151 ILE 152 LYS 153 ASN 154 ILE 155 LYS 156 TYR 157 VAL 158 ARG 159 ALA 160 ASN 161 ASP 162 ASP 163 PHE 164 VAL 165 PHE 166 SER 167 LEU 168 ASN 169 ALA 170 LYS 171 LYS 172 TYR 173 HIS 174 ASN 175 VAL 176 ILE 177 ILE 178 ASN 179 GLU 180 ASN 181 ILE 182 VAL 183 THR 184 HIS 185 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 PDB 2LCJ "Solution Nmr Structure Of Pab Polii Intein" 100.00 185 100.00 100.00 2.34e-129 EMBL CAB49044 "dp2/polC intein containing DNA polymerase II large subunit (EC 2.7.7.7) [Pyrococcus abyssi GE5]" 100.00 1455 100.00 100.00 8.46e-118 REF WP_010867244 "DNA polymerase II [Pyrococcus abyssi]" 100.00 1455 100.00 100.00 8.46e-118 SP Q9V2F4 "RecName: Full=DNA polymerase II large subunit; Short=Pol II; Contains: RecName: Full=Pab polC intein; AltName: Full=Pab pol II " 100.00 1455 100.00 100.00 8.46e-118 TPE CCE69496 "TPA: DNA polymerase II large subunit [Pyrococcus abyssi GE5]" 100.00 1455 100.00 100.00 8.46e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pab_PolII 'Pyrococcus abyssi' 29292 Archaea . Pyrococcus abyssi 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 $Pab_PolII 'recombinant technology' . Escherichia coli . pETM-44 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 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' $Pab_PolII 2 mM '[U-98% 13C; U-98% 15N]' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' $Pab_PolII 1.2 mM '[U-13C; U-15N; U-2H]' stop_ save_ save_Sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' $Pab_PolII 2 mM '[U-98% 15N]' stop_ save_ save_Sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' $Pab_PolII 2 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . 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 ARX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model ARX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Sample_2 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Sample_3 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $Sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $Sample_4 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 320 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS P 31 'methyl protons' ppm 0.00 . indirect . . . 0.404808636 $entry_citation $entry_citation 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 '3D HNCACB' '3D HN(COCA)CB' '3D HNCA' '3D HNCO' '3D C(CO)NH' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $Sample_3 $Sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Pab PolII intein domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 CYS HA H 3.718 0.010 . 2 1 1 CYS HB2 H 3.163 0.005 . 3 1 1 CYS HB3 H 2.546 0.008 . 4 1 1 CYS CA C 57.953 0.061 . 5 1 1 CYS CB C 31.099 0.161 . 6 2 2 PHE H H 9.553 0.009 . 7 2 2 PHE HA H 5.458 0.006 . 8 2 2 PHE HB2 H 2.770 0.008 . 9 2 2 PHE HB3 H 3.879 0.012 . 10 2 2 PHE CA C 54.636 0.078 . 11 2 2 PHE CB C 41.243 0.012 . 12 2 2 PHE N N 118.067 0.036 . 13 3 3 PRO HA H 5.091 0.009 . 14 3 3 PRO HB2 H 2.452 0.012 . 15 3 3 PRO HB3 H 2.532 0.005 . 16 3 3 PRO HG2 H 2.337 0.007 . 17 3 3 PRO HG3 H 2.448 0.011 . 18 3 3 PRO HD2 H 4.361 0.011 . 19 3 3 PRO HD3 H 3.370 0.012 . 20 3 3 PRO CA C 62.830 0.058 . 21 3 3 PRO CB C 31.553 0.105 . 22 3 3 PRO CG C 27.817 0.062 . 23 3 3 PRO CD C 49.938 0.048 . 24 4 4 GLY H H 10.439 0.009 . 25 4 4 GLY HA2 H 3.671 0.009 . 26 4 4 GLY HA3 H 3.863 0.008 . 27 4 4 GLY CA C 48.150 0.080 . 28 4 4 GLY N N 110.344 0.102 . 29 5 5 ASP H H 8.210 0.017 . 30 5 5 ASP HA H 4.552 0.004 . 31 5 5 ASP HB2 H 2.783 0.010 . 32 5 5 ASP HB3 H 2.783 0.010 . 33 5 5 ASP CA C 53.778 0.123 . 34 5 5 ASP CB C 39.389 0.085 . 35 5 5 ASP N N 114.780 0.064 . 36 6 6 THR H H 7.904 0.015 . 37 6 6 THR HA H 4.165 0.007 . 38 6 6 THR HB H 4.004 0.011 . 39 6 6 THR HG2 H 1.015 0.009 . 40 6 6 THR CA C 64.589 0.094 . 41 6 6 THR CB C 69.419 0.068 . 42 6 6 THR CG2 C 20.090 0.035 . 43 6 6 THR N N 119.629 0.094 . 44 7 7 ARG H H 8.669 0.012 . 45 7 7 ARG HA H 4.946 0.008 . 46 7 7 ARG HB2 H 1.728 0.012 . 47 7 7 ARG HB3 H 1.518 0.012 . 48 7 7 ARG HG2 H 1.748 0.011 . 49 7 7 ARG HG3 H 1.533 0.011 . 50 7 7 ARG HD2 H 3.240 0.007 . 51 7 7 ARG HD3 H 3.110 0.008 . 52 7 7 ARG CA C 54.764 0.091 . 53 7 7 ARG CB C 32.047 0.165 . 54 7 7 ARG CG C 28.297 0.080 . 55 7 7 ARG CD C 42.784 0.072 . 56 7 7 ARG N N 126.273 0.181 . 57 8 8 ILE H H 9.412 0.008 . 58 8 8 ILE HA H 5.056 0.007 . 59 8 8 ILE HB H 1.329 0.010 . 60 8 8 ILE HG12 H 1.555 0.009 . 61 8 8 ILE HG13 H 1.042 0.005 . 62 8 8 ILE HG2 H 0.819 0.009 . 63 8 8 ILE HD1 H 0.703 0.004 . 64 8 8 ILE CA C 58.289 0.066 . 65 8 8 ILE CB C 42.111 0.197 . 66 8 8 ILE CG1 C 28.761 0.056 . 67 8 8 ILE CG2 C 14.765 0.081 . 68 8 8 ILE CD1 C 14.976 0.086 . 69 8 8 ILE N N 119.970 0.078 . 70 9 9 LEU H H 7.663 0.011 . 71 9 9 LEU HA H 4.797 0.008 . 72 9 9 LEU HB2 H 1.918 0.008 . 73 9 9 LEU HB3 H 1.268 0.010 . 74 9 9 LEU HG H 1.374 0.008 . 75 9 9 LEU HD1 H 0.607 0.011 . 76 9 9 LEU HD2 H 0.370 0.008 . 77 9 9 LEU CA C 55.086 0.089 . 78 9 9 LEU CB C 42.029 0.176 . 79 9 9 LEU CG C 26.443 0.103 . 80 9 9 LEU CD1 C 22.642 0.040 . 81 9 9 LEU CD2 C 25.289 0.051 . 82 9 9 LEU N N 127.101 0.131 . 83 10 10 VAL H H 9.028 0.009 . 84 10 10 VAL HA H 5.214 0.006 . 85 10 10 VAL HB H 2.437 0.011 . 86 10 10 VAL HG1 H 0.954 0.011 . 87 10 10 VAL HG2 H 0.833 0.009 . 88 10 10 VAL CA C 58.819 0.067 . 89 10 10 VAL CB C 36.179 0.126 . 90 10 10 VAL CG1 C 21.995 0.064 . 91 10 10 VAL CG2 C 18.423 0.052 . 92 10 10 VAL N N 120.491 0.072 . 93 11 11 GLN H H 8.920 0.010 . 94 11 11 GLN HA H 4.952 0.010 . 95 11 11 GLN HB2 H 1.623 0.005 . 96 11 11 GLN HB3 H 1.623 0.005 . 97 11 11 GLN HG2 H 1.733 0.006 . 98 11 11 GLN HG3 H 1.940 0.009 . 99 11 11 GLN HE21 H 7.074 0.011 . 100 11 11 GLN HE22 H 6.690 0.011 . 101 11 11 GLN CA C 54.992 0.089 . 102 11 11 GLN CB C 32.089 0.159 . 103 11 11 GLN CG C 34.602 0.107 . 104 11 11 GLN N N 119.325 0.069 . 105 11 11 GLN NE2 N 110.156 0.133 . 106 12 12 ILE H H 8.268 0.010 . 107 12 12 ILE HA H 4.853 0.005 . 108 12 12 ILE HB H 1.732 0.008 . 109 12 12 ILE HG12 H 0.828 0.009 . 110 12 12 ILE HG13 H 1.466 0.009 . 111 12 12 ILE HG2 H 0.721 0.012 . 112 12 12 ILE HD1 H 0.708 0.006 . 113 12 12 ILE CA C 59.924 0.130 . 114 12 12 ILE CB C 38.783 0.056 . 115 12 12 ILE CG1 C 27.212 0.138 . 116 12 12 ILE CG2 C 16.503 0.030 . 117 12 12 ILE CD1 C 13.019 0.115 . 118 12 12 ILE N N 124.679 0.034 . 119 13 13 ASP H H 9.884 0.007 . 120 13 13 ASP HA H 4.351 0.005 . 121 13 13 ASP HB2 H 2.949 0.009 . 122 13 13 ASP HB3 H 2.692 0.007 . 123 13 13 ASP CA C 55.371 0.077 . 124 13 13 ASP CB C 39.438 0.123 . 125 13 13 ASP N N 130.512 0.017 . 126 14 14 GLY H H 8.665 0.007 . 127 14 14 GLY HA2 H 3.436 0.010 . 128 14 14 GLY HA3 H 4.175 0.011 . 129 14 14 GLY CA C 44.685 0.094 . 130 14 14 GLY N N 101.663 0.022 . 131 15 15 VAL H H 7.785 0.007 . 132 15 15 VAL HA H 4.619 0.011 . 133 15 15 VAL HB H 2.107 0.009 . 134 15 15 VAL HG1 H 0.952 0.015 . 135 15 15 VAL HG2 H 0.952 0.015 . 136 15 15 VAL CA C 59.241 0.093 . 137 15 15 VAL CB C 33.523 0.166 . 138 15 15 VAL N N 121.637 0.039 . 139 16 16 PRO HA H 5.383 0.008 . 140 16 16 PRO HB2 H 1.838 0.005 . 141 16 16 PRO HB3 H 2.464 0.004 . 142 16 16 PRO HG2 H 2.169 0.010 . 143 16 16 PRO HG3 H 2.132 0.010 . 144 16 16 PRO HD2 H 4.086 0.008 . 145 16 16 PRO HD3 H 3.870 0.007 . 146 16 16 PRO CA C 61.982 0.082 . 147 16 16 PRO CB C 31.565 0.050 . 148 16 16 PRO CG C 27.038 0.040 . 149 16 16 PRO CD C 51.374 0.056 . 150 17 17 GLN H H 9.403 0.010 . 151 17 17 GLN HA H 4.599 0.009 . 152 17 17 GLN HB2 H 1.885 0.009 . 153 17 17 GLN HB3 H 2.217 0.011 . 154 17 17 GLN HG2 H 2.344 0.010 . 155 17 17 GLN HG3 H 2.344 0.010 . 156 17 17 GLN CA C 54.735 0.047 . 157 17 17 GLN CB C 32.614 0.104 . 158 17 17 GLN CG C 32.642 0.063 . 159 17 17 GLN N N 119.254 0.022 . 160 18 18 LYS H H 8.436 0.010 . 161 18 18 LYS HA H 5.359 0.008 . 162 18 18 LYS HB2 H 1.686 0.009 . 163 18 18 LYS HB3 H 1.434 0.008 . 164 18 18 LYS HG2 H 1.370 0.012 . 165 18 18 LYS HG3 H 1.183 0.010 . 166 18 18 LYS HD2 H 1.625 0.005 . 167 18 18 LYS HD3 H 1.528 0.009 . 168 18 18 LYS HE2 H 2.973 0.016 . 169 18 18 LYS HE3 H 2.913 0.016 . 170 18 18 LYS CA C 54.792 0.057 . 171 18 18 LYS CB C 33.600 0.068 . 172 18 18 LYS CG C 25.847 0.108 . 173 18 18 LYS CD C 29.642 0.047 . 174 18 18 LYS CE C 41.849 0.067 . 175 18 18 LYS N N 120.137 0.030 . 176 19 19 ILE H H 8.251 0.011 . 177 19 19 ILE HA H 4.915 0.009 . 178 19 19 ILE HB H 1.841 0.009 . 179 19 19 ILE HG12 H 1.171 0.013 . 180 19 19 ILE HG13 H 1.486 0.011 . 181 19 19 ILE HG2 H 0.841 0.012 . 182 19 19 ILE HD1 H 0.704 0.012 . 183 19 19 ILE CA C 58.540 0.061 . 184 19 19 ILE CB C 41.660 0.059 . 185 19 19 ILE CG1 C 25.768 0.071 . 186 19 19 ILE CG2 C 17.210 0.064 . 187 19 19 ILE CD1 C 14.032 0.052 . 188 19 19 ILE N N 120.022 0.039 . 189 20 20 THR H H 8.193 0.007 . 190 20 20 THR HA H 5.190 0.009 . 191 20 20 THR HB H 5.113 0.009 . 192 20 20 THR HG2 H 1.242 0.008 . 193 20 20 THR CA C 60.915 0.100 . 194 20 20 THR CB C 69.685 0.047 . 195 20 20 THR CG2 C 21.413 0.057 . 196 20 20 THR N N 112.214 0.018 . 197 21 21 LEU H H 8.465 0.009 . 198 21 21 LEU HA H 3.920 0.013 . 199 21 21 LEU HB2 H 1.306 0.012 . 200 21 21 LEU HB3 H 1.636 0.013 . 201 21 21 LEU HG H 1.567 0.007 . 202 21 21 LEU HD1 H 0.771 0.014 . 203 21 21 LEU HD2 H 0.896 0.011 . 204 21 21 LEU CA C 56.965 0.046 . 205 21 21 LEU CB C 41.838 0.214 . 206 21 21 LEU CG C 27.682 0.124 . 207 21 21 LEU CD1 C 23.272 0.072 . 208 21 21 LEU CD2 C 26.633 0.085 . 209 21 21 LEU N N 122.500 0.079 . 210 22 22 ARG H H 8.106 0.010 . 211 22 22 ARG HA H 2.957 0.008 . 212 22 22 ARG HB2 H 1.294 0.011 . 213 22 22 ARG HB3 H 1.369 0.011 . 214 22 22 ARG HG2 H 1.410 0.012 . 215 22 22 ARG HG3 H 1.410 0.012 . 216 22 22 ARG HD2 H 3.173 0.015 . 217 22 22 ARG HD3 H 3.225 0.007 . 218 22 22 ARG CA C 58.582 0.051 . 219 22 22 ARG CB C 29.512 0.060 . 220 22 22 ARG CG C 26.787 0.107 . 221 22 22 ARG CD C 42.747 0.088 . 222 22 22 ARG N N 117.339 0.103 . 223 23 23 GLU H H 7.368 0.009 . 224 23 23 GLU HA H 3.879 0.007 . 225 23 23 GLU HB2 H 1.910 0.009 . 226 23 23 GLU HB3 H 2.274 0.009 . 227 23 23 GLU HG2 H 2.174 0.008 . 228 23 23 GLU HG3 H 2.174 0.008 . 229 23 23 GLU CA C 58.501 0.072 . 230 23 23 GLU CB C 29.671 0.092 . 231 23 23 GLU CG C 37.398 0.092 . 232 23 23 GLU N N 118.237 0.067 . 233 24 24 LEU H H 8.487 0.008 . 234 24 24 LEU HA H 3.969 0.013 . 235 24 24 LEU HB2 H 2.220 0.011 . 236 24 24 LEU HB3 H 1.403 0.009 . 237 24 24 LEU HG H 0.872 0.011 . 238 24 24 LEU HD1 H 1.048 0.008 . 239 24 24 LEU HD2 H 1.048 0.008 . 240 24 24 LEU CA C 57.701 0.049 . 241 24 24 LEU CB C 41.003 0.116 . 242 24 24 LEU CG C 26.564 0.101 . 243 24 24 LEU CD1 C 23.823 0.084 . 244 24 24 LEU N N 121.337 0.014 . 245 25 25 TYR H H 8.032 0.014 . 246 25 25 TYR HA H 3.885 0.008 . 247 25 25 TYR HB2 H 3.158 0.009 . 248 25 25 TYR HB3 H 3.158 0.009 . 249 25 25 TYR CA C 62.153 0.101 . 250 25 25 TYR CB C 38.893 0.046 . 251 25 25 TYR N N 118.548 0.037 . 252 26 26 GLU H H 7.127 0.011 . 253 26 26 GLU HA H 4.175 0.004 . 254 26 26 GLU HB2 H 2.002 0.005 . 255 26 26 GLU HB3 H 2.330 0.004 . 256 26 26 GLU HG2 H 2.545 0.005 . 257 26 26 GLU HG3 H 2.545 0.005 . 258 26 26 GLU CA C 56.076 0.049 . 259 26 26 GLU CB C 28.769 0.057 . 260 26 26 GLU CG C 35.236 0.034 . 261 26 26 GLU N N 111.954 0.021 . 262 27 27 LEU H H 7.879 0.008 . 263 27 27 LEU HA H 4.275 0.009 . 264 27 27 LEU HB2 H 2.136 0.007 . 265 27 27 LEU HB3 H 1.679 0.010 . 266 27 27 LEU HG H 1.863 0.005 . 267 27 27 LEU HD1 H 0.783 0.007 . 268 27 27 LEU HD2 H 0.796 0.010 . 269 27 27 LEU CA C 54.753 0.055 . 270 27 27 LEU CB C 41.495 0.092 . 271 27 27 LEU CG C 26.172 0.077 . 272 27 27 LEU CD1 C 22.801 0.038 . 273 27 27 LEU CD2 C 25.826 0.102 . 274 27 27 LEU N N 120.345 0.057 . 275 28 28 PHE H H 7.544 0.008 . 276 28 28 PHE HA H 5.118 0.007 . 277 28 28 PHE HB2 H 2.750 0.010 . 278 28 28 PHE HB3 H 2.597 0.007 . 279 28 28 PHE HD1 H 6.971 0.015 . 280 28 28 PHE HD2 H 6.971 0.015 . 281 28 28 PHE HE1 H 7.190 0.016 . 282 28 28 PHE HE2 H 7.190 0.016 . 283 28 28 PHE CA C 55.317 0.111 . 284 28 28 PHE CB C 43.984 0.087 . 285 28 28 PHE N N 119.355 0.026 . 286 29 29 GLU H H 9.580 0.008 . 287 29 29 GLU HA H 4.567 0.008 . 288 29 29 GLU HB2 H 2.099 0.016 . 289 29 29 GLU HB3 H 2.099 0.016 . 290 29 29 GLU HG2 H 1.920 0.018 . 291 29 29 GLU HG3 H 1.920 0.018 . 292 29 29 GLU CA C 54.055 0.122 . 293 29 29 GLU CB C 32.186 0.141 . 294 29 29 GLU CG C 34.512 0.072 . 295 29 29 GLU N N 118.960 0.073 . 296 30 30 ASP H H 8.478 0.007 . 297 30 30 ASP HA H 4.236 0.008 . 298 30 30 ASP HB2 H 2.566 0.003 . 299 30 30 ASP HB3 H 3.439 0.004 . 300 30 30 ASP CA C 54.996 0.042 . 301 30 30 ASP CB C 38.994 0.070 . 302 30 30 ASP N N 118.069 0.033 . 303 31 31 GLU H H 8.180 0.009 . 304 31 31 GLU HA H 5.200 0.010 . 305 31 31 GLU HB2 H 1.846 0.006 . 306 31 31 GLU HB3 H 2.195 0.008 . 307 31 31 GLU HG2 H 2.263 0.014 . 308 31 31 GLU HG3 H 2.263 0.014 . 309 31 31 GLU CA C 55.114 0.116 . 310 31 31 GLU CB C 32.772 0.048 . 311 31 31 GLU CG C 38.267 0.064 . 312 31 31 GLU N N 122.428 0.037 . 313 32 32 ARG H H 9.528 0.011 . 314 32 32 ARG HA H 4.828 0.005 . 315 32 32 ARG HB2 H 1.900 0.004 . 316 32 32 ARG HB3 H 1.716 0.010 . 317 32 32 ARG HG2 H 1.719 0.007 . 318 32 32 ARG HG3 H 1.536 0.010 . 319 32 32 ARG HD2 H 3.150 0.007 . 320 32 32 ARG HD3 H 3.150 0.007 . 321 32 32 ARG CA C 53.921 0.080 . 322 32 32 ARG CB C 32.541 0.137 . 323 32 32 ARG CG C 26.504 0.082 . 324 32 32 ARG CD C 42.793 0.090 . 325 32 32 ARG N N 127.000 0.023 . 326 33 33 TYR H H 8.509 0.007 . 327 33 33 TYR HA H 5.207 0.006 . 328 33 33 TYR HB2 H 2.678 0.005 . 329 33 33 TYR HB3 H 2.876 0.008 . 330 33 33 TYR HD1 H 6.327 0.015 . 331 33 33 TYR HD2 H 6.327 0.015 . 332 33 33 TYR HE1 H 6.103 0.011 . 333 33 33 TYR HE2 H 6.103 0.011 . 334 33 33 TYR CA C 55.245 0.123 . 335 33 33 TYR CB C 38.762 0.111 . 336 33 33 TYR N N 123.877 0.054 . 337 34 34 GLU H H 8.555 0.010 . 338 34 34 GLU HA H 4.272 0.005 . 339 34 34 GLU HB2 H 1.688 0.007 . 340 34 34 GLU HB3 H 1.782 0.017 . 341 34 34 GLU HG2 H 2.041 0.007 . 342 34 34 GLU HG3 H 2.041 0.007 . 343 34 34 GLU CA C 54.735 0.074 . 344 34 34 GLU CB C 32.066 0.231 . 345 34 34 GLU CG C 35.292 0.012 . 346 34 34 GLU N N 127.203 0.162 . 347 35 35 ASN H H 8.859 0.005 . 348 35 35 ASN HA H 4.131 0.007 . 349 35 35 ASN HB2 H 2.661 0.010 . 350 35 35 ASN HB3 H 2.866 0.007 . 351 35 35 ASN HD21 H 6.739 0.003 . 352 35 35 ASN HD22 H 7.449 0.009 . 353 35 35 ASN CA C 54.080 0.088 . 354 35 35 ASN CB C 36.738 0.055 . 355 35 35 ASN N N 122.073 0.075 . 356 35 35 ASN ND2 N 113.302 0.019 . 357 36 36 MET H H 7.718 0.010 . 358 36 36 MET HA H 3.511 0.004 . 359 36 36 MET HB2 H 2.253 0.006 . 360 36 36 MET HB3 H 2.382 0.008 . 361 36 36 MET HG2 H 2.392 0.006 . 362 36 36 MET HG3 H 2.463 0.013 . 363 36 36 MET CA C 56.999 0.093 . 364 36 36 MET CB C 29.384 0.170 . 365 36 36 MET CG C 32.542 0.064 . 366 36 36 MET N N 106.082 0.027 . 367 37 37 VAL H H 7.330 0.006 . 368 37 37 VAL HA H 4.625 0.007 . 369 37 37 VAL HB H 2.117 0.011 . 370 37 37 VAL HG1 H 0.923 0.004 . 371 37 37 VAL HG2 H 0.824 0.014 . 372 37 37 VAL CA C 59.832 0.087 . 373 37 37 VAL CB C 34.495 0.129 . 374 37 37 VAL CG1 C 21.861 0.078 . 375 37 37 VAL CG2 C 19.209 0.131 . 376 37 37 VAL N N 115.552 0.073 . 377 38 38 TYR H H 8.861 0.007 . 378 38 38 TYR HA H 5.325 0.007 . 379 38 38 TYR HB2 H 3.130 0.010 . 380 38 38 TYR HB3 H 2.973 0.006 . 381 38 38 TYR HD1 H 7.071 0.000 . 382 38 38 TYR HD2 H 7.071 0.000 . 383 38 38 TYR HE1 H 6.897 0.014 . 384 38 38 TYR HE2 H 6.897 0.014 . 385 38 38 TYR CA C 57.156 0.061 . 386 38 38 TYR CB C 39.678 0.126 . 387 38 38 TYR N N 120.940 0.016 . 388 39 39 VAL H H 9.058 0.009 . 389 39 39 VAL HA H 5.378 0.012 . 390 39 39 VAL HB H 1.903 0.007 . 391 39 39 VAL HG1 H 0.902 0.009 . 392 39 39 VAL HG2 H 0.902 0.009 . 393 39 39 VAL CA C 59.179 0.134 . 394 39 39 VAL CB C 35.046 0.051 . 395 39 39 VAL CG1 C 20.980 0.051 . 396 39 39 VAL CG2 C 21.124 0.000 . 397 39 39 VAL N N 120.601 0.034 . 398 40 40 ARG H H 8.879 0.006 . 399 40 40 ARG HA H 5.184 0.012 . 400 40 40 ARG HB2 H 1.749 0.012 . 401 40 40 ARG HB3 H 1.177 0.008 . 402 40 40 ARG HG2 H 1.759 0.007 . 403 40 40 ARG HG3 H 1.016 0.011 . 404 40 40 ARG HD2 H 1.511 0.007 . 405 40 40 ARG HD3 H 2.539 0.007 . 406 40 40 ARG HE H 6.716 0.009 . 407 40 40 ARG CA C 54.990 0.065 . 408 40 40 ARG CB C 34.010 0.112 . 409 40 40 ARG CG C 27.384 0.105 . 410 40 40 ARG CD C 42.502 0.075 . 411 40 40 ARG N N 123.244 0.024 . 412 40 40 ARG NE N 86.320 0.021 . 413 41 41 LYS H H 7.631 0.009 . 414 41 41 LYS HA H 4.953 0.005 . 415 41 41 LYS HB2 H 2.025 0.005 . 416 41 41 LYS HB3 H 2.162 0.004 . 417 41 41 LYS HG2 H 1.651 0.004 . 418 41 41 LYS HG3 H 1.495 0.009 . 419 41 41 LYS HD2 H 1.752 0.014 . 420 41 41 LYS HD3 H 1.752 0.014 . 421 41 41 LYS HE2 H 3.040 0.004 . 422 41 41 LYS HE3 H 2.892 0.007 . 423 41 41 LYS CA C 55.944 0.074 . 424 41 41 LYS CB C 35.615 0.207 . 425 41 41 LYS CG C 24.307 0.091 . 426 41 41 LYS CD C 28.315 0.111 . 427 41 41 LYS CE C 41.411 0.094 . 428 41 41 LYS N N 116.905 0.021 . 429 42 42 LYS H H 8.482 0.010 . 430 42 42 LYS HA H 5.174 0.005 . 431 42 42 LYS HB2 H 1.763 0.007 . 432 42 42 LYS HB3 H 1.763 0.007 . 433 42 42 LYS HG2 H 1.425 0.007 . 434 42 42 LYS HG3 H 1.425 0.007 . 435 42 42 LYS HD2 H 1.702 0.010 . 436 42 42 LYS HD3 H 1.702 0.010 . 437 42 42 LYS HE2 H 2.989 0.006 . 438 42 42 LYS HE3 H 2.989 0.006 . 439 42 42 LYS CA C 52.468 0.040 . 440 42 42 LYS CB C 34.973 0.089 . 441 42 42 LYS CG C 24.093 0.133 . 442 42 42 LYS CD C 28.839 0.003 . 443 42 42 LYS N N 121.344 0.074 . 444 43 43 PRO HA H 3.504 0.007 . 445 43 43 PRO HB2 H 2.212 0.007 . 446 43 43 PRO HB3 H 1.463 0.006 . 447 43 43 PRO HG2 H 2.103 0.006 . 448 43 43 PRO HG3 H 2.211 0.011 . 449 43 43 PRO HD2 H 3.881 0.012 . 450 43 43 PRO HD3 H 3.963 0.010 . 451 43 43 PRO CA C 62.101 0.070 . 452 43 43 PRO CB C 31.246 0.052 . 453 43 43 PRO CG C 26.156 0.053 . 454 43 43 PRO CD C 50.328 0.032 . 455 44 44 LYS H H 8.719 0.008 . 456 44 44 LYS HA H 4.099 0.003 . 457 44 44 LYS HB2 H 1.879 0.009 . 458 44 44 LYS HB3 H 1.441 0.008 . 459 44 44 LYS HG2 H 1.082 0.006 . 460 44 44 LYS HG3 H 1.314 0.012 . 461 44 44 LYS HD2 H 1.518 0.014 . 462 44 44 LYS HD3 H 1.518 0.014 . 463 44 44 LYS HE2 H 2.812 0.010 . 464 44 44 LYS HE3 H 2.812 0.010 . 465 44 44 LYS CA C 57.185 0.033 . 466 44 44 LYS CB C 33.087 0.076 . 467 44 44 LYS CG C 25.547 0.067 . 468 44 44 LYS CD C 29.023 0.151 . 469 44 44 LYS CE C 41.565 0.117 . 470 44 44 LYS N N 118.908 0.036 . 471 45 45 ARG H H 7.106 0.007 . 472 45 45 ARG HA H 4.615 0.010 . 473 45 45 ARG HB2 H 1.185 0.010 . 474 45 45 ARG HB3 H 2.119 0.007 . 475 45 45 ARG HG2 H 1.459 0.013 . 476 45 45 ARG HG3 H 1.532 0.006 . 477 45 45 ARG HD2 H 3.035 0.010 . 478 45 45 ARG HD3 H 3.204 0.008 . 479 45 45 ARG CA C 52.328 0.064 . 480 45 45 ARG CB C 33.189 0.066 . 481 45 45 ARG CG C 25.945 0.087 . 482 45 45 ARG CD C 42.283 0.031 . 483 45 45 ARG N N 114.464 0.023 . 484 46 46 GLU H H 8.288 0.008 . 485 46 46 GLU HA H 4.369 0.010 . 486 46 46 GLU HB2 H 2.229 0.006 . 487 46 46 GLU HB3 H 2.229 0.006 . 488 46 46 GLU HG2 H 2.069 0.013 . 489 46 46 GLU HG3 H 2.069 0.013 . 490 46 46 GLU CA C 56.407 0.030 . 491 46 46 GLU CB C 28.739 0.085 . 492 46 46 GLU CG C 35.953 0.131 . 493 46 46 GLU N N 121.034 0.023 . 494 47 47 ILE H H 8.248 0.009 . 495 47 47 ILE HA H 5.205 0.006 . 496 47 47 ILE HB H 1.581 0.009 . 497 47 47 ILE HG12 H 0.841 0.010 . 498 47 47 ILE HG13 H 1.494 0.011 . 499 47 47 ILE HG2 H 0.874 0.011 . 500 47 47 ILE HD1 H 0.752 0.010 . 501 47 47 ILE CA C 59.716 0.089 . 502 47 47 ILE CB C 41.036 0.095 . 503 47 47 ILE CG1 C 27.354 0.098 . 504 47 47 ILE CG2 C 16.797 0.058 . 505 47 47 ILE CD1 C 15.439 0.078 . 506 47 47 ILE N N 128.537 0.024 . 507 48 48 LYS H H 8.744 0.010 . 508 48 48 LYS HA H 4.857 0.008 . 509 48 48 LYS HB2 H 1.350 0.010 . 510 48 48 LYS HB3 H 1.731 0.009 . 511 48 48 LYS HG2 H 1.352 0.007 . 512 48 48 LYS HG3 H 1.352 0.007 . 513 48 48 LYS HD2 H 1.361 0.009 . 514 48 48 LYS HD3 H 1.551 0.009 . 515 48 48 LYS HE2 H 2.829 0.007 . 516 48 48 LYS HE3 H 2.829 0.007 . 517 48 48 LYS CA C 53.552 0.067 . 518 48 48 LYS CB C 37.103 0.068 . 519 48 48 LYS CG C 25.053 0.083 . 520 48 48 LYS CD C 28.573 0.090 . 521 48 48 LYS CE C 41.723 0.057 . 522 48 48 LYS N N 125.466 0.030 . 523 49 49 VAL H H 9.102 0.012 . 524 49 49 VAL HA H 4.849 0.008 . 525 49 49 VAL HB H 1.840 0.008 . 526 49 49 VAL HG1 H 1.181 0.013 . 527 49 49 VAL HG2 H 0.839 0.009 . 528 49 49 VAL CA C 59.341 0.105 . 529 49 49 VAL CB C 35.010 0.058 . 530 49 49 VAL CG1 C 22.410 0.054 . 531 49 49 VAL CG2 C 20.580 0.081 . 532 49 49 VAL N N 118.865 0.050 . 533 50 50 TYR H H 6.934 0.011 . 534 50 50 TYR HA H 4.720 0.016 . 535 50 50 TYR HB2 H 2.642 0.006 . 536 50 50 TYR HB3 H 2.576 0.014 . 537 50 50 TYR CA C 58.744 0.035 . 538 50 50 TYR CB C 39.583 0.129 . 539 50 50 TYR N N 124.290 0.026 . 540 51 51 SER H H 8.805 0.009 . 541 51 51 SER HA H 4.676 0.007 . 542 51 51 SER HB2 H 3.163 0.012 . 543 51 51 SER HB3 H 3.313 0.008 . 544 51 51 SER CA C 55.915 0.000 . 545 51 51 SER CB C 66.018 0.046 . 546 51 51 SER N N 116.945 0.040 . 547 52 52 ILE HA H 4.569 0.005 . 548 52 52 ILE HB H 1.386 0.007 . 549 52 52 ILE HG12 H 0.971 0.009 . 550 52 52 ILE HG13 H 1.083 0.010 . 551 52 52 ILE HG2 H 0.362 0.008 . 552 52 52 ILE HD1 H 0.527 0.010 . 553 52 52 ILE CA C 57.256 0.042 . 554 52 52 ILE CB C 39.412 0.093 . 555 52 52 ILE CG1 C 27.309 0.085 . 556 52 52 ILE CG2 C 16.044 0.060 . 557 52 52 ILE CD1 C 11.093 0.038 . 558 53 53 ASP H H 8.409 0.009 . 559 53 53 ASP HA H 4.572 0.009 . 560 53 53 ASP HB2 H 2.925 0.007 . 561 53 53 ASP HB3 H 2.117 0.008 . 562 53 53 ASP CA C 51.881 0.044 . 563 53 53 ASP CB C 40.726 0.056 . 564 53 53 ASP N N 125.141 0.099 . 565 54 54 LEU H H 8.434 0.007 . 566 54 54 LEU HA H 3.772 0.007 . 567 54 54 LEU HB2 H 1.733 0.009 . 568 54 54 LEU HB3 H 1.452 0.006 . 569 54 54 LEU HG H 0.653 0.011 . 570 54 54 LEU HD1 H 0.114 0.004 . 571 54 54 LEU HD2 H 1.456 0.007 . 572 54 54 LEU CA C 56.309 0.013 . 573 54 54 LEU CB C 40.479 0.061 . 574 54 54 LEU CG C 25.073 0.135 . 575 54 54 LEU CD1 C 20.738 0.070 . 576 54 54 LEU CD2 C 26.063 0.064 . 577 54 54 LEU N N 126.485 0.017 . 578 55 55 GLU H H 8.279 0.007 . 579 55 55 GLU HA H 4.237 0.005 . 580 55 55 GLU HB2 H 2.184 0.004 . 581 55 55 GLU HB3 H 2.277 0.004 . 582 55 55 GLU HG2 H 2.412 0.004 . 583 55 55 GLU HG3 H 2.273 0.012 . 584 55 55 GLU CA C 58.475 0.113 . 585 55 55 GLU CB C 29.541 0.062 . 586 55 55 GLU CG C 36.312 0.070 . 587 55 55 GLU N N 117.119 0.033 . 588 56 56 THR H H 7.174 0.007 . 589 56 56 THR HA H 4.454 0.011 . 590 56 56 THR HB H 4.249 0.005 . 591 56 56 THR HG2 H 1.186 0.005 . 592 56 56 THR CA C 60.905 0.091 . 593 56 56 THR CB C 70.704 0.027 . 594 56 56 THR CG2 C 20.925 0.073 . 595 56 56 THR N N 105.028 0.019 . 596 57 57 GLY H H 8.788 0.006 . 597 57 57 GLY HA2 H 3.403 0.008 . 598 57 57 GLY HA3 H 4.124 0.010 . 599 57 57 GLY CA C 45.173 0.060 . 600 57 57 GLY N N 112.264 0.018 . 601 58 58 LYS H H 7.383 0.008 . 602 58 58 LYS HA H 4.305 0.009 . 603 58 58 LYS HB2 H 1.689 0.002 . 604 58 58 LYS HB3 H 1.587 0.034 . 605 58 58 LYS HG2 H 1.347 0.013 . 606 58 58 LYS HG3 H 1.347 0.013 . 607 58 58 LYS HD2 H 1.609 0.010 . 608 58 58 LYS HD3 H 1.609 0.010 . 609 58 58 LYS HE2 H 2.960 0.009 . 610 58 58 LYS HE3 H 2.960 0.009 . 611 58 58 LYS CA C 55.136 0.153 . 612 58 58 LYS CB C 33.556 0.039 . 613 58 58 LYS CG C 24.559 0.132 . 614 58 58 LYS CD C 28.180 0.057 . 615 58 58 LYS CE C 41.791 0.134 . 616 58 58 LYS N N 118.511 0.052 . 617 59 59 VAL H H 8.080 0.007 . 618 59 59 VAL HA H 4.381 0.011 . 619 59 59 VAL HB H 1.847 0.004 . 620 59 59 VAL HG1 H 0.934 0.010 . 621 59 59 VAL HG2 H 0.889 0.011 . 622 59 59 VAL CA C 61.833 0.055 . 623 59 59 VAL CB C 31.387 0.064 . 624 59 59 VAL CG1 C 21.349 0.047 . 625 59 59 VAL N N 122.150 0.061 . 626 60 60 VAL H H 8.671 0.010 . 627 60 60 VAL HA H 4.414 0.008 . 628 60 60 VAL HB H 1.638 0.009 . 629 60 60 VAL HG1 H 0.524 0.008 . 630 60 60 VAL HG2 H -0.060 0.007 . 631 60 60 VAL CA C 58.870 0.095 . 632 60 60 VAL CB C 35.053 0.075 . 633 60 60 VAL CG1 C 20.768 0.042 . 634 60 60 VAL CG2 C 18.053 0.044 . 635 60 60 VAL N N 123.760 0.047 . 636 61 61 LEU H H 7.896 0.009 . 637 61 61 LEU HA H 4.690 0.010 . 638 61 61 LEU HB2 H 1.316 0.009 . 639 61 61 LEU HB3 H 1.070 0.010 . 640 61 61 LEU HG H 1.017 0.013 . 641 61 61 LEU HD1 H -0.044 0.007 . 642 61 61 LEU HD2 H 0.254 0.008 . 643 61 61 LEU CA C 53.120 0.065 . 644 61 61 LEU CB C 44.029 0.042 . 645 61 61 LEU CG C 26.656 0.043 . 646 61 61 LEU CD1 C 23.159 0.039 . 647 61 61 LEU CD2 C 23.661 0.025 . 648 61 61 LEU N N 122.179 0.024 . 649 62 62 THR H H 8.830 0.012 . 650 62 62 THR HA H 4.892 0.008 . 651 62 62 THR HB H 4.003 0.010 . 652 62 62 THR HG2 H 1.446 0.011 . 653 62 62 THR CA C 58.261 0.104 . 654 62 62 THR CB C 71.685 0.058 . 655 62 62 THR CG2 C 19.668 0.065 . 656 62 62 THR N N 116.711 0.077 . 657 63 63 ASP H H 7.713 0.009 . 658 63 63 ASP HA H 5.038 0.008 . 659 63 63 ASP HB2 H 2.786 0.008 . 660 63 63 ASP HB3 H 2.328 0.004 . 661 63 63 ASP CA C 54.043 0.073 . 662 63 63 ASP CB C 42.745 0.055 . 663 63 63 ASP N N 122.789 0.025 . 664 64 64 ILE H H 9.061 0.012 . 665 64 64 ILE HA H 4.250 0.010 . 666 64 64 ILE HB H 1.923 0.007 . 667 64 64 ILE HG12 H 1.772 0.008 . 668 64 64 ILE HG13 H 0.772 0.007 . 669 64 64 ILE HG2 H 0.725 0.010 . 670 64 64 ILE HD1 H 0.888 0.007 . 671 64 64 ILE CA C 61.295 0.017 . 672 64 64 ILE CB C 39.547 0.036 . 673 64 64 ILE CG1 C 28.201 0.115 . 674 64 64 ILE CG2 C 18.673 0.101 . 675 64 64 ILE CD1 C 14.870 0.109 . 676 64 64 ILE N N 120.112 0.057 . 677 65 65 GLU H H 9.235 0.008 . 678 65 65 GLU HA H 4.327 0.007 . 679 65 65 GLU HB2 H 1.886 0.015 . 680 65 65 GLU HB3 H 2.006 0.005 . 681 65 65 GLU HG2 H 2.132 0.008 . 682 65 65 GLU HG3 H 2.132 0.008 . 683 65 65 GLU CA C 58.153 0.077 . 684 65 65 GLU CB C 30.473 0.127 . 685 65 65 GLU CG C 36.024 0.186 . 686 65 65 GLU N N 127.496 0.028 . 687 66 66 ASP H H 7.595 0.013 . 688 66 66 ASP HA H 4.769 0.011 . 689 66 66 ASP HB2 H 2.599 0.012 . 690 66 66 ASP HB3 H 2.974 0.010 . 691 66 66 ASP CA C 52.662 0.088 . 692 66 66 ASP CB C 42.857 0.106 . 693 66 66 ASP N N 111.476 0.033 . 694 67 67 VAL H H 7.934 0.009 . 695 67 67 VAL HA H 4.675 0.011 . 696 67 67 VAL HB H 2.016 0.011 . 697 67 67 VAL HG1 H 0.497 0.011 . 698 67 67 VAL HG2 H 0.337 0.009 . 699 67 67 VAL CA C 60.465 0.091 . 700 67 67 VAL CB C 33.981 0.058 . 701 67 67 VAL CG1 C 21.667 0.043 . 702 67 67 VAL CG2 C 20.582 0.030 . 703 67 67 VAL N N 111.539 0.068 . 704 68 68 ILE H H 8.377 0.005 . 705 68 68 ILE HA H 5.387 0.009 . 706 68 68 ILE HB H 1.432 0.009 . 707 68 68 ILE HG12 H 1.276 0.010 . 708 68 68 ILE HG13 H 0.898 0.005 . 709 68 68 ILE HG2 H 0.805 0.010 . 710 68 68 ILE HD1 H 0.728 0.011 . 711 68 68 ILE CA C 59.656 0.056 . 712 68 68 ILE CB C 42.592 0.097 . 713 68 68 ILE CG1 C 27.244 0.074 . 714 68 68 ILE CG2 C 17.543 0.044 . 715 68 68 ILE CD1 C 13.983 0.112 . 716 68 68 ILE N N 121.104 0.034 . 717 69 69 LYS H H 9.166 0.007 . 718 69 69 LYS HA H 4.511 0.012 . 719 69 69 LYS HB2 H 1.242 0.006 . 720 69 69 LYS HB3 H 0.348 0.012 . 721 69 69 LYS HG2 H 0.384 0.013 . 722 69 69 LYS HG3 H 0.139 0.008 . 723 69 69 LYS HD2 H 0.470 0.014 . 724 69 69 LYS HD3 H 0.470 0.014 . 725 69 69 LYS HE2 H 1.109 0.008 . 726 69 69 LYS HE3 H 1.544 0.007 . 727 69 69 LYS CA C 54.374 0.116 . 728 69 69 LYS CB C 33.963 0.304 . 729 69 69 LYS CG C 24.220 0.107 . 730 69 69 LYS CD C 28.977 0.063 . 731 69 69 LYS CE C 40.310 0.118 . 732 69 69 LYS N N 126.446 0.042 . 733 70 70 ALA H H 8.992 0.010 . 734 70 70 ALA HA H 5.295 0.007 . 735 70 70 ALA HB H 1.287 0.014 . 736 70 70 ALA CA C 48.128 0.064 . 737 70 70 ALA CB C 20.515 0.102 . 738 70 70 ALA N N 128.470 0.102 . 739 71 71 PRO HA H 4.361 0.012 . 740 71 71 PRO HB2 H 1.852 0.007 . 741 71 71 PRO HB3 H 1.852 0.007 . 742 71 71 PRO HG2 H 2.286 0.008 . 743 71 71 PRO HG3 H 2.166 0.020 . 744 71 71 PRO HD2 H 3.852 0.009 . 745 71 71 PRO HD3 H 4.056 0.006 . 746 71 71 PRO CA C 62.695 0.058 . 747 71 71 PRO CB C 31.391 0.146 . 748 71 71 PRO CG C 27.833 0.036 . 749 71 71 PRO CD C 50.460 0.056 . 750 72 72 ALA H H 7.812 0.008 . 751 72 72 ALA HA H 4.178 0.008 . 752 72 72 ALA HB H 1.134 0.005 . 753 72 72 ALA CA C 51.666 0.098 . 754 72 72 ALA CB C 18.892 0.142 . 755 72 72 ALA N N 124.566 0.118 . 756 73 73 THR H H 7.436 0.013 . 757 73 73 THR HA H 4.472 0.014 . 758 73 73 THR HB H 4.478 0.006 . 759 73 73 THR HG2 H 1.228 0.007 . 760 73 73 THR CA C 60.493 0.176 . 761 73 73 THR CB C 69.321 0.051 . 762 73 73 THR CG2 C 21.391 0.009 . 763 73 73 THR N N 111.093 0.105 . 764 74 74 ASP H H 8.179 0.010 . 765 74 74 ASP HA H 4.423 0.015 . 766 74 74 ASP HB2 H 2.599 0.007 . 767 74 74 ASP HB3 H 2.599 0.007 . 768 74 74 ASP CA C 55.219 0.073 . 769 74 74 ASP CB C 41.187 0.122 . 770 74 74 ASP N N 117.911 0.179 . 771 75 75 HIS H H 7.995 0.011 . 772 75 75 HIS HA H 5.154 0.009 . 773 75 75 HIS HB2 H 2.959 0.039 . 774 75 75 HIS HB3 H 3.134 0.006 . 775 75 75 HIS HD2 H 6.825 0.003 . 776 75 75 HIS HE1 H 6.627 0.008 . 777 75 75 HIS CA C 54.992 0.032 . 778 75 75 HIS CB C 31.724 0.130 . 779 75 75 HIS N N 114.725 0.264 . 780 76 76 LEU H H 8.943 0.010 . 781 76 76 LEU HA H 4.617 0.016 . 782 76 76 LEU HB2 H 1.325 0.014 . 783 76 76 LEU HB3 H 1.325 0.014 . 784 76 76 LEU HG H 1.442 0.006 . 785 76 76 LEU HD1 H 0.810 0.008 . 786 76 76 LEU HD2 H 0.703 0.008 . 787 76 76 LEU CA C 52.697 0.092 . 788 76 76 LEU CB C 44.139 0.070 . 789 76 76 LEU CG C 26.934 0.098 . 790 76 76 LEU CD1 C 25.842 0.141 . 791 76 76 LEU CD2 C 23.112 0.025 . 792 76 76 LEU N N 120.372 0.063 . 793 77 77 ILE H H 8.894 0.007 . 794 77 77 ILE HA H 4.094 0.007 . 795 77 77 ILE HB H 1.029 0.010 . 796 77 77 ILE HG12 H -0.088 0.007 . 797 77 77 ILE HG13 H 1.028 0.010 . 798 77 77 ILE HG2 H -0.284 0.006 . 799 77 77 ILE HD1 H 0.608 0.008 . 800 77 77 ILE CA C 60.624 0.034 . 801 77 77 ILE CB C 38.527 0.059 . 802 77 77 ILE CG1 C 27.133 0.091 . 803 77 77 ILE CG2 C 17.941 0.041 . 804 77 77 ILE CD1 C 13.283 0.036 . 805 77 77 ILE N N 119.521 0.055 . 806 78 78 ARG H H 8.844 0.006 . 807 78 78 ARG HA H 4.647 0.007 . 808 78 78 ARG HB2 H 1.439 0.016 . 809 78 78 ARG HB3 H 1.572 0.006 . 810 78 78 ARG HG2 H 1.170 0.008 . 811 78 78 ARG HG3 H 1.458 0.013 . 812 78 78 ARG HD2 H 3.127 0.012 . 813 78 78 ARG HD3 H 2.914 0.005 . 814 78 78 ARG CA C 53.694 0.113 . 815 78 78 ARG CB C 32.503 0.111 . 816 78 78 ARG CG C 27.650 0.085 . 817 78 78 ARG CD C 43.074 0.113 . 818 78 78 ARG N N 125.146 0.028 . 819 79 79 PHE H H 8.919 0.008 . 820 79 79 PHE HA H 4.712 0.009 . 821 79 79 PHE HB2 H 2.180 0.009 . 822 79 79 PHE HB3 H 2.391 0.009 . 823 79 79 PHE HD1 H 6.482 0.007 . 824 79 79 PHE HD2 H 6.482 0.007 . 825 79 79 PHE HE1 H 6.296 0.009 . 826 79 79 PHE HE2 H 6.296 0.009 . 827 79 79 PHE CA C 56.454 0.063 . 828 79 79 PHE CB C 40.789 0.049 . 829 79 79 PHE N N 126.774 0.027 . 830 80 80 GLU H H 8.778 0.007 . 831 80 80 GLU HA H 4.992 0.007 . 832 80 80 GLU HB2 H 2.017 0.010 . 833 80 80 GLU HB3 H 2.017 0.010 . 834 80 80 GLU HG2 H 2.158 0.015 . 835 80 80 GLU HG3 H 2.268 0.005 . 836 80 80 GLU CA C 54.229 0.071 . 837 80 80 GLU CB C 31.598 0.078 . 838 80 80 GLU CG C 36.125 0.135 . 839 80 80 GLU N N 121.180 0.029 . 840 81 81 LEU H H 9.384 0.008 . 841 81 81 LEU HA H 5.196 0.009 . 842 81 81 LEU HB2 H 1.641 0.008 . 843 81 81 LEU HB3 H 2.157 0.010 . 844 81 81 LEU HG H 1.780 0.010 . 845 81 81 LEU HD1 H 0.889 0.008 . 846 81 81 LEU HD2 H 0.872 0.010 . 847 81 81 LEU CA C 54.064 0.074 . 848 81 81 LEU CB C 41.933 0.098 . 849 81 81 LEU CG C 28.041 0.104 . 850 81 81 LEU CD1 C 25.413 0.133 . 851 81 81 LEU CD2 C 24.367 0.063 . 852 81 81 LEU N N 124.125 0.027 . 853 82 82 GLU H H 8.515 0.006 . 854 82 82 GLU HA H 4.078 0.006 . 855 82 82 GLU HB2 H 2.172 0.006 . 856 82 82 GLU HB3 H 2.336 0.010 . 857 82 82 GLU HG2 H 2.401 0.010 . 858 82 82 GLU HG3 H 2.293 0.013 . 859 82 82 GLU CA C 58.594 0.106 . 860 82 82 GLU CB C 30.447 0.072 . 861 82 82 GLU CG C 36.144 0.048 . 862 82 82 GLU N N 117.357 0.027 . 863 83 83 ASP H H 7.585 0.008 . 864 83 83 ASP HA H 4.782 0.010 . 865 83 83 ASP HB2 H 3.115 0.006 . 866 83 83 ASP HB3 H 2.534 0.009 . 867 83 83 ASP CA C 52.400 0.100 . 868 83 83 ASP CB C 40.689 0.102 . 869 83 83 ASP N N 117.090 0.019 . 870 84 84 GLY H H 8.059 0.005 . 871 84 84 GLY HA2 H 3.703 0.007 . 872 84 84 GLY HA3 H 4.430 0.010 . 873 84 84 GLY CA C 44.448 0.059 . 874 84 84 GLY N N 107.697 0.019 . 875 85 85 ARG H H 7.605 0.014 . 876 85 85 ARG HA H 4.377 0.007 . 877 85 85 ARG HB2 H 2.021 0.009 . 878 85 85 ARG HB3 H 2.021 0.009 . 879 85 85 ARG HG2 H 1.836 0.011 . 880 85 85 ARG HG3 H 1.836 0.011 . 881 85 85 ARG HD2 H 3.457 0.008 . 882 85 85 ARG HD3 H 3.053 0.009 . 883 85 85 ARG HE H 9.033 0.009 . 884 85 85 ARG CA C 57.024 0.103 . 885 85 85 ARG CB C 31.257 0.112 . 886 85 85 ARG CG C 27.405 0.052 . 887 85 85 ARG CD C 43.674 0.077 . 888 85 85 ARG N N 120.996 0.030 . 889 85 85 ARG NE N 86.440 0.017 . 890 86 86 SER H H 8.339 0.006 . 891 86 86 SER HA H 5.995 0.007 . 892 86 86 SER HB2 H 3.833 0.005 . 893 86 86 SER HB3 H 3.833 0.005 . 894 86 86 SER CA C 57.285 0.068 . 895 86 86 SER CB C 67.638 0.072 . 896 86 86 SER N N 112.987 0.028 . 897 87 87 PHE H H 8.854 0.010 . 898 87 87 PHE HA H 4.768 0.011 . 899 87 87 PHE HB2 H 3.484 0.011 . 900 87 87 PHE HB3 H 3.042 0.007 . 901 87 87 PHE HD1 H 7.089 0.015 . 902 87 87 PHE HD2 H 7.089 0.015 . 903 87 87 PHE HE1 H 7.266 0.014 . 904 87 87 PHE HE2 H 7.266 0.014 . 905 87 87 PHE CA C 56.467 0.047 . 906 87 87 PHE CB C 40.550 0.064 . 907 87 87 PHE N N 115.739 0.023 . 908 88 88 GLU H H 8.762 0.007 . 909 88 88 GLU HA H 5.832 0.004 . 910 88 88 GLU HB2 H 1.723 0.006 . 911 88 88 GLU HB3 H 2.008 0.011 . 912 88 88 GLU HG2 H 2.224 0.009 . 913 88 88 GLU HG3 H 2.020 0.012 . 914 88 88 GLU CA C 53.651 0.047 . 915 88 88 GLU CB C 33.855 0.076 . 916 88 88 GLU CG C 35.606 0.066 . 917 88 88 GLU N N 120.234 0.028 . 918 89 89 THR H H 8.770 0.008 . 919 89 89 THR HA H 5.215 0.006 . 920 89 89 THR HB H 4.142 0.008 . 921 89 89 THR HG2 H 1.269 0.012 . 922 89 89 THR CA C 59.651 0.094 . 923 89 89 THR CB C 72.201 0.069 . 924 89 89 THR CG2 C 20.424 0.053 . 925 89 89 THR N N 106.224 0.047 . 926 90 90 THR H H 8.328 0.022 . 927 90 90 THR HA H 4.657 0.010 . 928 90 90 THR HB H 4.879 0.005 . 929 90 90 THR HG2 H 1.269 0.005 . 930 90 90 THR CA C 62.158 0.120 . 931 90 90 THR CB C 69.838 0.019 . 932 90 90 THR CG2 C 22.738 0.078 . 933 90 90 THR N N 108.638 0.078 . 934 91 91 VAL H H 8.910 0.006 . 935 91 91 VAL HA H 3.815 0.014 . 936 91 91 VAL HB H 2.272 0.014 . 937 91 91 VAL HG1 H 1.054 0.013 . 938 91 91 VAL HG2 H 1.071 0.011 . 939 91 91 VAL CA C 65.219 0.071 . 940 91 91 VAL CB C 31.608 0.089 . 941 91 91 VAL CG1 C 19.732 0.149 . 942 91 91 VAL CG2 C 21.158 0.090 . 943 91 91 VAL N N 117.802 0.037 . 944 92 92 ASP H H 8.065 0.004 . 945 92 92 ASP HA H 4.755 0.010 . 946 92 92 ASP HB2 H 2.948 0.000 . 947 92 92 ASP HB3 H 2.623 0.000 . 948 92 92 ASP CA C 51.838 0.217 . 949 92 92 ASP CB C 40.221 0.071 . 950 92 92 ASP N N 112.856 0.069 . 951 93 93 HIS H H 7.388 0.006 . 952 93 93 HIS HA H 4.183 0.008 . 953 93 93 HIS HB2 H 3.359 0.010 . 954 93 93 HIS HB3 H 3.134 0.003 . 955 93 93 HIS CA C 55.759 0.109 . 956 93 93 HIS CB C 31.753 0.199 . 957 93 93 HIS N N 123.010 0.110 . 958 94 94 PRO HA H 4.367 0.009 . 959 94 94 PRO HB2 H 1.651 0.009 . 960 94 94 PRO HB3 H 0.982 0.010 . 961 94 94 PRO HG2 H 1.419 0.016 . 962 94 94 PRO HG3 H 1.513 0.013 . 963 94 94 PRO HD2 H 3.305 0.006 . 964 94 94 PRO HD3 H 1.967 0.009 . 965 94 94 PRO CA C 61.942 0.079 . 966 94 94 PRO CB C 30.343 0.053 . 967 94 94 PRO CG C 27.627 0.057 . 968 94 94 PRO CD C 49.245 0.086 . 969 95 95 VAL H H 9.378 0.009 . 970 95 95 VAL HA H 4.363 0.005 . 971 95 95 VAL HB H 1.809 0.011 . 972 95 95 VAL HG1 H 0.839 0.009 . 973 95 95 VAL HG2 H 0.980 0.006 . 974 95 95 VAL CA C 60.770 0.000 . 975 95 95 VAL CB C 33.746 0.051 . 976 95 95 VAL CG1 C 21.158 0.000 . 977 95 95 VAL CG2 C 21.351 0.084 . 978 95 95 VAL N N 124.325 0.080 . 979 96 96 LEU H H 6.633 0.009 . 980 96 96 LEU HA H 5.125 0.007 . 981 96 96 LEU HB2 H 1.648 0.009 . 982 96 96 LEU HB3 H 1.814 0.009 . 983 96 96 LEU HG H 1.659 0.008 . 984 96 96 LEU HD1 H 0.922 0.007 . 985 96 96 LEU HD2 H 0.797 0.011 . 986 96 96 LEU CA C 53.983 0.045 . 987 96 96 LEU CB C 44.422 0.062 . 988 96 96 LEU CG C 27.001 0.068 . 989 96 96 LEU CD1 C 24.189 0.030 . 990 96 96 LEU N N 124.577 0.020 . 991 97 97 VAL H H 9.304 0.011 . 992 97 97 VAL HA H 5.363 0.007 . 993 97 97 VAL HB H 2.266 0.009 . 994 97 97 VAL HG1 H 0.886 0.011 . 995 97 97 VAL HG2 H 0.764 0.008 . 996 97 97 VAL CA C 58.902 0.131 . 997 97 97 VAL CB C 35.126 0.149 . 998 97 97 VAL CG1 C 21.191 0.144 . 999 97 97 VAL CG2 C 19.222 0.058 . 1000 97 97 VAL N N 123.895 0.032 . 1001 98 98 TYR H H 8.775 0.009 . 1002 98 98 TYR HA H 4.695 0.013 . 1003 98 98 TYR HB2 H 2.163 0.007 . 1004 98 98 TYR HB3 H 2.585 0.007 . 1005 98 98 TYR HD1 H 5.747 0.016 . 1006 98 98 TYR HD2 H 5.747 0.016 . 1007 98 98 TYR HE1 H 5.939 0.011 . 1008 98 98 TYR HE2 H 5.939 0.011 . 1009 98 98 TYR CA C 56.322 0.094 . 1010 98 98 TYR CB C 40.002 0.094 . 1011 98 98 TYR N N 123.887 0.023 . 1012 99 99 GLU H H 8.741 0.007 . 1013 99 99 GLU HA H 4.352 0.013 . 1014 99 99 GLU HB2 H 1.711 0.007 . 1015 99 99 GLU HB3 H 1.777 0.016 . 1016 99 99 GLU HG2 H 1.908 0.008 . 1017 99 99 GLU HG3 H 2.094 0.016 . 1018 99 99 GLU CA C 54.952 0.051 . 1019 99 99 GLU CB C 32.568 0.096 . 1020 99 99 GLU CG C 35.826 0.099 . 1021 99 99 GLU N N 129.272 0.023 . 1022 100 100 ASN H H 9.089 0.007 . 1023 100 100 ASN HA H 4.213 0.004 . 1024 100 100 ASN HB2 H 2.570 0.008 . 1025 100 100 ASN HB3 H 2.962 0.005 . 1026 100 100 ASN HD21 H 7.434 0.011 . 1027 100 100 ASN HD22 H 6.759 0.018 . 1028 100 100 ASN CA C 53.473 0.076 . 1029 100 100 ASN CB C 37.035 0.061 . 1030 100 100 ASN N N 124.096 0.036 . 1031 100 100 ASN ND2 N 111.855 0.114 . 1032 101 101 GLY H H 7.007 0.006 . 1033 101 101 GLY HA2 H 3.967 0.006 . 1034 101 101 GLY HA3 H 3.523 0.004 . 1035 101 101 GLY CA C 45.014 0.088 . 1036 101 101 GLY N N 101.219 0.021 . 1037 102 102 ARG H H 6.912 0.005 . 1038 102 102 ARG HA H 4.506 0.008 . 1039 102 102 ARG HB2 H 1.708 0.008 . 1040 102 102 ARG HB3 H 1.771 0.013 . 1041 102 102 ARG HG2 H 1.508 0.010 . 1042 102 102 ARG HG3 H 1.420 0.003 . 1043 102 102 ARG HD2 H 3.119 0.008 . 1044 102 102 ARG HD3 H 3.119 0.008 . 1045 102 102 ARG CA C 53.419 0.107 . 1046 102 102 ARG CB C 32.587 0.051 . 1047 102 102 ARG CG C 25.593 0.085 . 1048 102 102 ARG N N 116.982 0.018 . 1049 103 103 PHE H H 8.489 0.009 . 1050 103 103 PHE HA H 5.212 0.007 . 1051 103 103 PHE HB2 H 2.953 0.008 . 1052 103 103 PHE HB3 H 2.854 0.009 . 1053 103 103 PHE HD1 H 7.163 0.017 . 1054 103 103 PHE HD2 H 7.163 0.017 . 1055 103 103 PHE HE1 H 7.363 0.014 . 1056 103 103 PHE HE2 H 7.363 0.014 . 1057 103 103 PHE CA C 58.250 0.102 . 1058 103 103 PHE CB C 39.949 0.030 . 1059 103 103 PHE N N 118.371 0.041 . 1060 104 104 ILE H H 9.488 0.013 . 1061 104 104 ILE HA H 4.587 0.010 . 1062 104 104 ILE HB H 1.770 0.008 . 1063 104 104 ILE HG12 H 0.996 0.007 . 1064 104 104 ILE HG13 H 1.313 0.008 . 1065 104 104 ILE HG2 H 0.801 0.010 . 1066 104 104 ILE HD1 H 0.717 0.007 . 1067 104 104 ILE CA C 58.742 0.047 . 1068 104 104 ILE CB C 41.623 0.054 . 1069 104 104 ILE CG1 C 26.318 0.044 . 1070 104 104 ILE CG2 C 17.587 0.071 . 1071 104 104 ILE CD1 C 13.487 0.078 . 1072 104 104 ILE N N 121.419 0.058 . 1073 105 105 GLU H H 8.163 0.010 . 1074 105 105 GLU HA H 4.882 0.012 . 1075 105 105 GLU HB2 H 1.613 0.006 . 1076 105 105 GLU HB3 H 1.853 0.008 . 1077 105 105 GLU HG2 H 1.853 0.010 . 1078 105 105 GLU HG3 H 2.069 0.006 . 1079 105 105 GLU CA C 54.495 0.071 . 1080 105 105 GLU CB C 30.358 0.045 . 1081 105 105 GLU CG C 36.091 0.116 . 1082 105 105 GLU N N 121.780 0.119 . 1083 106 106 LYS H H 8.685 0.012 . 1084 106 106 LYS HA H 4.521 0.003 . 1085 106 106 LYS HB2 H 1.652 0.009 . 1086 106 106 LYS HB3 H 1.342 0.015 . 1087 106 106 LYS HG2 H 1.227 0.008 . 1088 106 106 LYS HG3 H 1.227 0.008 . 1089 106 106 LYS HD2 H 1.440 0.012 . 1090 106 106 LYS HD3 H 1.440 0.012 . 1091 106 106 LYS HE2 H 2.742 0.005 . 1092 106 106 LYS HE3 H 2.605 0.008 . 1093 106 106 LYS CA C 54.294 0.032 . 1094 106 106 LYS CB C 35.796 0.056 . 1095 106 106 LYS CG C 24.946 0.074 . 1096 106 106 LYS CD C 30.029 0.050 . 1097 106 106 LYS CE C 41.520 0.066 . 1098 106 106 LYS N N 123.867 0.059 . 1099 107 107 ARG H H 8.682 0.009 . 1100 107 107 ARG HA H 4.107 0.005 . 1101 107 107 ARG HB2 H 1.337 0.015 . 1102 107 107 ARG HB3 H 1.189 0.007 . 1103 107 107 ARG HG2 H 1.648 0.007 . 1104 107 107 ARG HG3 H 1.648 0.007 . 1105 107 107 ARG HD2 H 3.116 0.012 . 1106 107 107 ARG HD3 H 3.116 0.012 . 1107 107 107 ARG CA C 56.441 0.008 . 1108 107 107 ARG CB C 30.266 0.053 . 1109 107 107 ARG CG C 27.119 0.052 . 1110 107 107 ARG CD C 42.923 0.048 . 1111 107 107 ARG N N 121.523 0.021 . 1112 108 108 ALA H H 8.677 0.009 . 1113 108 108 ALA HA H 4.061 0.011 . 1114 108 108 ALA HB H 1.817 0.007 . 1115 108 108 ALA CA C 56.450 0.100 . 1116 108 108 ALA CB C 18.304 0.048 . 1117 108 108 ALA N N 125.118 0.048 . 1118 109 109 PHE H H 7.888 0.012 . 1119 109 109 PHE HA H 4.458 0.005 . 1120 109 109 PHE HB2 H 3.062 0.010 . 1121 109 109 PHE HB3 H 3.481 0.004 . 1122 109 109 PHE HD1 H 7.381 0.005 . 1123 109 109 PHE HD2 H 7.381 0.005 . 1124 109 109 PHE HE1 H 7.198 0.014 . 1125 109 109 PHE HE2 H 7.198 0.014 . 1126 109 109 PHE CA C 58.595 0.064 . 1127 109 109 PHE CB C 36.980 0.030 . 1128 109 109 PHE N N 111.000 0.013 . 1129 110 110 GLU H H 8.054 0.008 . 1130 110 110 GLU HA H 4.244 0.009 . 1131 110 110 GLU HB2 H 1.896 0.015 . 1132 110 110 GLU HB3 H 2.084 0.007 . 1133 110 110 GLU HG2 H 1.850 0.011 . 1134 110 110 GLU HG3 H 1.283 0.010 . 1135 110 110 GLU CA C 55.418 0.070 . 1136 110 110 GLU CB C 30.547 0.060 . 1137 110 110 GLU CG C 36.907 0.094 . 1138 110 110 GLU N N 119.497 0.032 . 1139 111 111 VAL H H 7.282 0.009 . 1140 111 111 VAL HA H 3.585 0.009 . 1141 111 111 VAL HB H 2.311 0.007 . 1142 111 111 VAL HG1 H 0.791 0.008 . 1143 111 111 VAL HG2 H 0.937 0.005 . 1144 111 111 VAL CA C 63.424 0.056 . 1145 111 111 VAL CB C 31.159 0.071 . 1146 111 111 VAL CG1 C 23.808 0.111 . 1147 111 111 VAL CG2 C 22.672 0.020 . 1148 111 111 VAL N N 123.241 0.020 . 1149 112 112 LYS H H 8.531 0.012 . 1150 112 112 LYS HA H 4.692 0.006 . 1151 112 112 LYS HB2 H 1.703 0.013 . 1152 112 112 LYS HB3 H 1.777 0.002 . 1153 112 112 LYS HG2 H 1.434 0.011 . 1154 112 112 LYS HG3 H 1.434 0.011 . 1155 112 112 LYS HD2 H 1.708 0.013 . 1156 112 112 LYS HD3 H 1.708 0.013 . 1157 112 112 LYS HE2 H 3.045 0.008 . 1158 112 112 LYS HE3 H 3.045 0.008 . 1159 112 112 LYS CA C 53.588 0.031 . 1160 112 112 LYS CB C 35.638 0.078 . 1161 112 112 LYS CG C 23.683 0.083 . 1162 112 112 LYS CD C 28.394 0.061 . 1163 112 112 LYS CE C 41.805 0.097 . 1164 112 112 LYS N N 126.742 0.041 . 1165 113 113 GLU H H 8.922 0.007 . 1166 113 113 GLU HA H 3.773 0.005 . 1167 113 113 GLU HB2 H 1.961 0.014 . 1168 113 113 GLU HB3 H 1.961 0.014 . 1169 113 113 GLU HG2 H 2.254 0.010 . 1170 113 113 GLU HG3 H 2.254 0.010 . 1171 113 113 GLU CA C 58.450 0.081 . 1172 113 113 GLU CB C 28.030 0.079 . 1173 113 113 GLU CG C 36.520 0.066 . 1174 113 113 GLU N N 121.250 0.030 . 1175 114 114 GLY H H 9.123 0.011 . 1176 114 114 GLY HA2 H 3.698 0.006 . 1177 114 114 GLY HA3 H 4.551 0.009 . 1178 114 114 GLY CA C 44.410 0.036 . 1179 114 114 GLY N N 114.037 0.025 . 1180 115 115 ASP H H 8.085 0.007 . 1181 115 115 ASP HA H 4.734 0.010 . 1182 115 115 ASP HB2 H 3.030 0.009 . 1183 115 115 ASP HB3 H 2.483 0.010 . 1184 115 115 ASP CA C 55.298 0.074 . 1185 115 115 ASP CB C 40.382 0.042 . 1186 115 115 ASP N N 122.479 0.046 . 1187 116 116 LYS H H 8.459 0.007 . 1188 116 116 LYS HA H 5.217 0.011 . 1189 116 116 LYS HB2 H 2.045 0.009 . 1190 116 116 LYS HB3 H 1.582 0.007 . 1191 116 116 LYS HG2 H 1.736 0.005 . 1192 116 116 LYS HG3 H 1.249 0.010 . 1193 116 116 LYS HD2 H 1.637 0.009 . 1194 116 116 LYS HD3 H 1.637 0.009 . 1195 116 116 LYS HE2 H 3.071 0.012 . 1196 116 116 LYS HE3 H 3.071 0.012 . 1197 116 116 LYS CA C 55.136 0.040 . 1198 116 116 LYS CB C 35.829 0.092 . 1199 116 116 LYS CG C 25.933 0.064 . 1200 116 116 LYS CD C 29.396 0.060 . 1201 116 116 LYS CE C 41.867 0.087 . 1202 116 116 LYS N N 118.748 0.045 . 1203 117 117 VAL H H 8.960 0.013 . 1204 117 117 VAL HA H 4.694 0.008 . 1205 117 117 VAL HB H 2.211 0.010 . 1206 117 117 VAL HG1 H 1.048 0.008 . 1207 117 117 VAL HG2 H 0.909 0.005 . 1208 117 117 VAL CA C 58.848 0.034 . 1209 117 117 VAL CB C 34.899 0.042 . 1210 117 117 VAL CG1 C 21.519 0.128 . 1211 117 117 VAL CG2 C 20.891 0.056 . 1212 117 117 VAL N N 116.096 0.036 . 1213 118 118 LEU H H 9.182 0.005 . 1214 118 118 LEU HA H 4.761 0.009 . 1215 118 118 LEU HB2 H 1.753 0.008 . 1216 118 118 LEU HB3 H 1.310 0.011 . 1217 118 118 LEU HG H 0.571 0.007 . 1218 118 118 LEU HD1 H 0.850 0.013 . 1219 118 118 LEU HD2 H 0.850 0.013 . 1220 118 118 LEU CA C 54.221 0.023 . 1221 118 118 LEU CB C 44.049 0.038 . 1222 118 118 LEU CG C 25.321 0.048 . 1223 118 118 LEU CD1 C 22.933 0.088 . 1224 118 118 LEU N N 126.128 0.072 . 1225 119 119 VAL H H 8.631 0.009 . 1226 119 119 VAL HA H 5.011 0.009 . 1227 119 119 VAL HB H 1.903 0.011 . 1228 119 119 VAL HG1 H 0.786 0.010 . 1229 119 119 VAL HG2 H 0.786 0.010 . 1230 119 119 VAL CA C 59.140 0.123 . 1231 119 119 VAL CB C 33.717 0.043 . 1232 119 119 VAL CG1 C 20.702 0.162 . 1233 119 119 VAL N N 122.624 0.040 . 1234 120 120 SER H H 8.165 0.006 . 1235 120 120 SER HA H 4.660 0.013 . 1236 120 120 SER HB2 H 3.283 0.007 . 1237 120 120 SER HB3 H 3.283 0.007 . 1238 120 120 SER CA C 56.443 0.065 . 1239 120 120 SER CB C 64.356 0.073 . 1240 120 120 SER N N 117.761 0.045 . 1241 121 121 GLU H H 8.423 0.009 . 1242 121 121 GLU HA H 4.339 0.012 . 1243 121 121 GLU HB2 H 2.138 0.005 . 1244 121 121 GLU HB3 H 2.006 0.017 . 1245 121 121 GLU HG2 H 2.135 0.014 . 1246 121 121 GLU HG3 H 1.837 0.004 . 1247 121 121 GLU CA C 55.260 0.099 . 1248 121 121 GLU CB C 29.252 0.070 . 1249 121 121 GLU CG C 35.332 0.021 . 1250 121 121 GLU N N 125.422 0.037 . 1251 122 122 LEU H H 7.782 0.007 . 1252 122 122 LEU HA H 4.161 0.011 . 1253 122 122 LEU HB2 H 1.281 0.004 . 1254 122 122 LEU HB3 H 1.356 0.019 . 1255 122 122 LEU HG H 1.351 0.010 . 1256 122 122 LEU HD1 H 0.592 0.011 . 1257 122 122 LEU HD2 H 0.575 0.013 . 1258 122 122 LEU CA C 54.632 0.065 . 1259 122 122 LEU CB C 42.287 0.072 . 1260 122 122 LEU CG C 26.487 0.043 . 1261 122 122 LEU CD1 C 24.621 0.046 . 1262 122 122 LEU CD2 C 23.776 0.049 . 1263 122 122 LEU N N 123.302 0.031 . 1264 123 123 GLU H H 8.412 0.009 . 1265 123 123 GLU HA H 4.295 0.009 . 1266 123 123 GLU CA C 55.468 0.082 . 1267 123 123 GLU CB C 29.571 0.000 . 1268 123 123 GLU CG C 35.689 0.000 . 1269 123 123 GLU N N 123.100 0.047 . 1270 124 124 LEU H H 8.096 0.010 . 1271 124 124 LEU HA H 4.294 0.008 . 1272 124 124 LEU HB2 H 1.543 0.010 . 1273 124 124 LEU HB3 H 1.399 0.007 . 1274 124 124 LEU HG H 1.417 0.009 . 1275 124 124 LEU HD1 H 0.641 0.010 . 1276 124 124 LEU HD2 H 0.645 0.011 . 1277 124 124 LEU CA C 54.653 0.076 . 1278 124 124 LEU CB C 41.975 0.068 . 1279 124 124 LEU CG C 26.475 0.119 . 1280 124 124 LEU CD1 C 24.719 0.067 . 1281 124 124 LEU CD2 C 22.882 0.024 . 1282 124 124 LEU N N 123.444 0.011 . 1283 125 125 VAL H H 7.805 0.009 . 1284 125 125 VAL HA H 4.086 0.007 . 1285 125 125 VAL HB H 2.039 0.005 . 1286 125 125 VAL HG1 H 0.850 0.010 . 1287 125 125 VAL HG2 H 0.837 0.008 . 1288 125 125 VAL CA C 61.654 0.038 . 1289 125 125 VAL CB C 32.483 0.043 . 1290 125 125 VAL CG1 C 20.698 0.122 . 1291 125 125 VAL CG2 C 20.130 0.072 . 1292 125 125 VAL N N 118.847 0.025 . 1293 126 126 GLU H H 8.414 0.009 . 1294 126 126 GLU HB2 H 2.039 0.001 . 1295 126 126 GLU HB3 H 1.940 0.014 . 1296 126 126 GLU HG2 H 2.230 0.005 . 1297 126 126 GLU HG3 H 2.230 0.005 . 1298 126 126 GLU CA C 56.343 0.000 . 1299 126 126 GLU CB C 29.645 0.116 . 1300 126 126 GLU CG C 35.837 0.016 . 1301 126 126 GLU N N 123.760 0.062 . 1302 127 127 GLN H H 8.310 0.007 . 1303 127 127 GLN HA H 4.350 0.008 . 1304 127 127 GLN HB2 H 2.135 0.011 . 1305 127 127 GLN HB3 H 1.984 0.006 . 1306 127 127 GLN HG2 H 2.340 0.008 . 1307 127 127 GLN HG3 H 2.340 0.008 . 1308 127 127 GLN CA C 55.434 0.145 . 1309 127 127 GLN CB C 28.837 0.153 . 1310 127 127 GLN CG C 33.323 0.034 . 1311 127 127 GLN N N 121.128 0.036 . 1312 128 128 SER H H 8.295 0.008 . 1313 128 128 SER HA H 4.479 0.002 . 1314 128 128 SER HB2 H 3.897 0.003 . 1315 128 128 SER HB3 H 3.897 0.003 . 1316 128 128 SER CA C 57.954 0.007 . 1317 128 128 SER CB C 63.396 0.000 . 1318 128 128 SER N N 116.594 0.079 . 1319 129 129 SER H H 8.296 0.000 . 1320 129 129 SER HA H 4.494 0.014 . 1321 129 129 SER HB2 H 3.901 0.001 . 1322 129 129 SER HB3 H 3.901 0.001 . 1323 129 129 SER CA C 57.986 0.026 . 1324 129 129 SER CB C 63.377 0.000 . 1325 129 129 SER N N 117.431 0.003 . 1326 130 130 SER H H 8.246 0.004 . 1327 130 130 SER HA H 4.519 0.000 . 1328 130 130 SER HB2 H 3.890 0.008 . 1329 130 130 SER HB3 H 3.890 0.008 . 1330 130 130 SER CA C 57.902 0.000 . 1331 130 130 SER CB C 63.392 0.000 . 1332 130 130 SER N N 117.258 0.036 . 1333 131 131 SER H H 8.181 0.015 . 1334 131 131 SER HA H 4.475 0.011 . 1335 131 131 SER HB2 H 3.914 0.009 . 1336 131 131 SER HB3 H 3.873 0.013 . 1337 131 131 SER CA C 58.004 0.039 . 1338 131 131 SER CB C 63.335 0.016 . 1339 131 131 SER N N 117.427 0.108 . 1340 132 132 GLN H H 8.251 0.009 . 1341 132 132 GLN HA H 4.310 0.013 . 1342 132 132 GLN HB2 H 2.128 0.006 . 1343 132 132 GLN HB3 H 1.972 0.010 . 1344 132 132 GLN HG2 H 2.335 0.008 . 1345 132 132 GLN HG3 H 2.335 0.008 . 1346 132 132 GLN CA C 55.545 0.151 . 1347 132 132 GLN CB C 28.948 0.118 . 1348 132 132 GLN CG C 33.396 0.000 . 1349 132 132 GLN N N 121.418 0.047 . 1350 133 133 ASP H H 8.144 0.006 . 1351 133 133 ASP HA H 4.564 0.008 . 1352 133 133 ASP HB2 H 2.649 0.008 . 1353 133 133 ASP HB3 H 2.555 0.003 . 1354 133 133 ASP CA C 54.003 0.225 . 1355 133 133 ASP CB C 40.700 0.106 . 1356 133 133 ASP N N 119.999 0.024 . 1357 134 134 ASN H H 8.050 0.009 . 1358 134 134 ASN HA H 4.946 0.004 . 1359 134 134 ASN HB2 H 2.643 0.004 . 1360 134 134 ASN HB3 H 2.811 0.009 . 1361 134 134 ASN HD21 H 6.853 0.000 . 1362 134 134 ASN HD22 H 7.518 0.012 . 1363 134 134 ASN CA C 50.974 0.109 . 1364 134 134 ASN CB C 38.593 0.033 . 1365 134 134 ASN N N 118.775 0.101 . 1366 134 134 ASN ND2 N 112.031 0.036 . 1367 135 135 PRO HA H 4.398 0.008 . 1368 135 135 PRO HB2 H 2.270 0.007 . 1369 135 135 PRO HB3 H 1.916 0.015 . 1370 135 135 PRO HG2 H 1.992 0.003 . 1371 135 135 PRO HG3 H 1.992 0.003 . 1372 135 135 PRO HD2 H 3.703 0.013 . 1373 135 135 PRO HD3 H 3.703 0.013 . 1374 135 135 PRO CA C 63.034 0.056 . 1375 135 135 PRO CB C 31.559 0.055 . 1376 135 135 PRO CG C 26.765 0.043 . 1377 135 135 PRO CD C 50.205 0.034 . 1378 136 136 LYS H H 8.222 0.009 . 1379 136 136 LYS HA H 4.287 0.005 . 1380 136 136 LYS HB2 H 1.822 0.011 . 1381 136 136 LYS HB3 H 1.738 0.011 . 1382 136 136 LYS HG2 H 1.397 0.015 . 1383 136 136 LYS HG3 H 1.397 0.015 . 1384 136 136 LYS HD2 H 1.676 0.006 . 1385 136 136 LYS HD3 H 1.676 0.006 . 1386 136 136 LYS HE2 H 2.985 0.003 . 1387 136 136 LYS HE3 H 2.985 0.003 . 1388 136 136 LYS CA C 55.703 0.065 . 1389 136 136 LYS CB C 32.420 0.139 . 1390 136 136 LYS CG C 24.199 0.079 . 1391 136 136 LYS CD C 28.512 0.038 . 1392 136 136 LYS CE C 41.743 0.009 . 1393 136 136 LYS N N 120.399 0.029 . 1394 137 137 ASN H H 8.215 0.009 . 1395 137 137 ASN HA H 4.653 0.000 . 1396 137 137 ASN HB2 H 2.839 0.006 . 1397 137 137 ASN HB3 H 2.727 0.007 . 1398 137 137 ASN CA C 53.306 0.000 . 1399 137 137 ASN CB C 38.490 0.066 . 1400 137 137 ASN N N 119.287 0.050 . 1401 138 138 GLU H H 8.335 0.013 . 1402 138 138 GLU HA H 4.278 0.015 . 1403 138 138 GLU HB2 H 2.044 0.004 . 1404 138 138 GLU HB3 H 1.901 0.012 . 1405 138 138 GLU HG2 H 2.212 0.003 . 1406 138 138 GLU HG3 H 2.212 0.003 . 1407 138 138 GLU CA C 56.347 0.000 . 1408 138 138 GLU CB C 29.992 0.202 . 1409 138 138 GLU CG C 35.712 0.026 . 1410 138 138 GLU N N 120.920 0.081 . 1411 139 139 ASN H H 8.326 0.006 . 1412 139 139 ASN HA H 4.716 0.011 . 1413 139 139 ASN HB2 H 2.836 0.008 . 1414 139 139 ASN HB3 H 2.734 0.009 . 1415 139 139 ASN HD21 H 7.510 0.000 . 1416 139 139 ASN HD22 H 6.818 0.013 . 1417 139 139 ASN CA C 52.944 0.175 . 1418 139 139 ASN CB C 38.536 0.093 . 1419 139 139 ASN N N 118.748 0.011 . 1420 139 139 ASN ND2 N 112.017 0.076 . 1421 140 140 LEU H H 8.102 0.014 . 1422 140 140 LEU HA H 4.301 0.013 . 1423 140 140 LEU HB2 H 1.598 0.012 . 1424 140 140 LEU HB3 H 1.598 0.012 . 1425 140 140 LEU HG H 1.580 0.013 . 1426 140 140 LEU HD1 H 0.862 0.010 . 1427 140 140 LEU HD2 H 0.820 0.012 . 1428 140 140 LEU CA C 55.223 0.201 . 1429 140 140 LEU CB C 41.865 0.050 . 1430 140 140 LEU CG C 26.603 0.026 . 1431 140 140 LEU CD1 C 24.624 0.064 . 1432 140 140 LEU CD2 C 22.998 0.042 . 1433 140 140 LEU N N 122.247 0.079 . 1434 141 141 GLY H H 8.251 0.006 . 1435 141 141 GLY HA2 H 3.948 0.004 . 1436 141 141 GLY HA3 H 3.948 0.004 . 1437 141 141 GLY CA C 44.645 0.081 . 1438 141 141 GLY N N 108.612 0.032 . 1439 142 142 SER H H 8.073 0.012 . 1440 142 142 SER HA H 4.776 0.005 . 1441 142 142 SER HB2 H 3.805 0.000 . 1442 142 142 SER HB3 H 3.805 0.000 . 1443 142 142 SER CA C 56.167 0.000 . 1444 142 142 SER CB C 63.084 0.012 . 1445 142 142 SER N N 116.388 0.040 . 1446 143 143 PRO HA H 4.400 0.008 . 1447 143 143 PRO HB2 H 2.207 0.010 . 1448 143 143 PRO HB3 H 1.851 0.010 . 1449 143 143 PRO HG2 H 1.989 0.002 . 1450 143 143 PRO HG3 H 1.989 0.002 . 1451 143 143 PRO HD2 H 3.726 0.013 . 1452 143 143 PRO HD3 H 3.726 0.013 . 1453 143 143 PRO CA C 63.035 0.042 . 1454 143 143 PRO CB C 31.483 0.045 . 1455 143 143 PRO CG C 26.792 0.021 . 1456 143 143 PRO CD C 50.260 0.031 . 1457 144 144 GLU H H 8.354 0.006 . 1458 144 144 GLU CA C 56.456 0.000 . 1459 144 144 GLU CB C 29.596 0.000 . 1460 144 144 GLU CG C 35.492 0.000 . 1461 144 144 GLU N N 120.028 0.047 . 1462 145 145 HIS H H 8.123 0.013 . 1463 145 145 HIS HA H 4.694 0.011 . 1464 145 145 HIS HB2 H 3.252 0.007 . 1465 145 145 HIS HB3 H 3.130 0.004 . 1466 145 145 HIS CA C 54.878 0.000 . 1467 145 145 HIS CB C 29.357 0.074 . 1468 145 145 HIS N N 117.219 0.080 . 1469 146 146 ASP H H 8.194 0.016 . 1470 146 146 ASP HA H 4.901 0.008 . 1471 146 146 ASP HB2 H 2.594 0.005 . 1472 146 146 ASP HB3 H 2.594 0.005 . 1473 146 146 ASP CA C 53.682 0.066 . 1474 146 146 ASP CB C 40.927 0.067 . 1475 146 146 ASP N N 121.460 0.032 . 1476 147 147 GLN H H 8.517 0.007 . 1477 147 147 GLN HA H 4.464 0.014 . 1478 147 147 GLN HB2 H 1.861 0.013 . 1479 147 147 GLN HB3 H 2.110 0.005 . 1480 147 147 GLN HG2 H 2.192 0.008 . 1481 147 147 GLN HG3 H 2.192 0.008 . 1482 147 147 GLN HE21 H 7.311 0.008 . 1483 147 147 GLN HE22 H 6.699 0.009 . 1484 147 147 GLN CA C 54.903 0.150 . 1485 147 147 GLN CB C 31.357 0.114 . 1486 147 147 GLN CG C 33.643 0.112 . 1487 147 147 GLN N N 118.926 0.044 . 1488 147 147 GLN NE2 N 110.397 0.200 . 1489 148 148 LEU H H 7.884 0.010 . 1490 148 148 LEU HA H 5.214 0.009 . 1491 148 148 LEU HB2 H 0.936 0.009 . 1492 148 148 LEU HB3 H 1.655 0.008 . 1493 148 148 LEU HG H 0.220 0.011 . 1494 148 148 LEU HD1 H 0.459 0.009 . 1495 148 148 LEU HD2 H 1.321 0.008 . 1496 148 148 LEU CA C 52.490 0.093 . 1497 148 148 LEU CB C 43.287 0.030 . 1498 148 148 LEU CG C 24.874 0.095 . 1499 148 148 LEU CD1 C 22.968 0.036 . 1500 148 148 LEU CD2 C 25.813 0.106 . 1501 148 148 LEU N N 121.167 0.026 . 1502 149 149 LEU H H 9.125 0.008 . 1503 149 149 LEU HA H 4.823 0.007 . 1504 149 149 LEU HB2 H 1.445 0.009 . 1505 149 149 LEU HB3 H 1.681 0.010 . 1506 149 149 LEU HG H 0.877 0.008 . 1507 149 149 LEU HD1 H 0.875 0.010 . 1508 149 149 LEU HD2 H 1.552 0.008 . 1509 149 149 LEU CA C 52.635 0.037 . 1510 149 149 LEU CB C 46.567 0.039 . 1511 149 149 LEU CG C 25.812 0.067 . 1512 149 149 LEU CD1 C 23.177 0.090 . 1513 149 149 LEU CD2 C 27.286 0.126 . 1514 149 149 LEU N N 124.241 0.026 . 1515 150 150 GLU H H 9.654 0.011 . 1516 150 150 GLU HA H 4.544 0.012 . 1517 150 150 GLU HB2 H 1.888 0.012 . 1518 150 150 GLU HB3 H 1.830 0.012 . 1519 150 150 GLU HG2 H 2.190 0.007 . 1520 150 150 GLU HG3 H 2.286 0.010 . 1521 150 150 GLU CA C 55.784 0.062 . 1522 150 150 GLU CB C 31.587 0.112 . 1523 150 150 GLU CG C 36.811 0.123 . 1524 150 150 GLU N N 120.500 0.031 . 1525 151 151 ILE H H 8.998 0.010 . 1526 151 151 ILE HA H 3.989 0.007 . 1527 151 151 ILE HB H 2.003 0.011 . 1528 151 151 ILE HG12 H 1.772 0.009 . 1529 151 151 ILE HG13 H 0.892 0.011 . 1530 151 151 ILE HG2 H 0.941 0.009 . 1531 151 151 ILE HD1 H 0.647 0.009 . 1532 151 151 ILE CA C 62.499 0.079 . 1533 151 151 ILE CB C 37.666 0.082 . 1534 151 151 ILE CG1 C 28.046 0.084 . 1535 151 151 ILE CG2 C 18.468 0.025 . 1536 151 151 ILE CD1 C 13.387 0.056 . 1537 151 151 ILE N N 122.691 0.034 . 1538 152 152 LYS H H 9.152 0.006 . 1539 152 152 LYS HA H 4.613 0.007 . 1540 152 152 LYS HB2 H 1.765 0.005 . 1541 152 152 LYS HB3 H 1.494 0.009 . 1542 152 152 LYS HG2 H 1.489 0.010 . 1543 152 152 LYS HG3 H 1.374 0.009 . 1544 152 152 LYS HD2 H 1.742 0.014 . 1545 152 152 LYS HD3 H 1.742 0.014 . 1546 152 152 LYS HE2 H 3.017 0.010 . 1547 152 152 LYS HE3 H 2.980 0.007 . 1548 152 152 LYS CA C 55.183 0.049 . 1549 152 152 LYS CB C 34.597 0.105 . 1550 152 152 LYS CG C 23.854 0.070 . 1551 152 152 LYS CD C 28.253 0.104 . 1552 152 152 LYS CE C 41.615 0.134 . 1553 152 152 LYS N N 130.884 0.035 . 1554 153 153 ASN H H 7.925 0.007 . 1555 153 153 ASN HA H 5.203 0.007 . 1556 153 153 ASN HB2 H 2.648 0.018 . 1557 153 153 ASN HB3 H 2.583 0.013 . 1558 153 153 ASN HD21 H 6.711 0.012 . 1559 153 153 ASN HD22 H 7.685 0.010 . 1560 153 153 ASN CA C 52.572 0.140 . 1561 153 153 ASN CB C 42.513 0.071 . 1562 153 153 ASN N N 114.605 0.030 . 1563 153 153 ASN ND2 N 112.211 0.027 . 1564 154 154 ILE H H 8.528 0.007 . 1565 154 154 ILE HA H 4.617 0.009 . 1566 154 154 ILE HB H 1.503 0.010 . 1567 154 154 ILE HG12 H 0.980 0.007 . 1568 154 154 ILE HG13 H 1.461 0.009 . 1569 154 154 ILE HG2 H 0.526 0.010 . 1570 154 154 ILE HD1 H 0.876 0.009 . 1571 154 154 ILE CA C 60.640 0.040 . 1572 154 154 ILE CB C 40.461 0.069 . 1573 154 154 ILE CG1 C 28.202 0.077 . 1574 154 154 ILE CG2 C 17.095 0.090 . 1575 154 154 ILE CD1 C 14.077 0.023 . 1576 154 154 ILE N N 124.832 0.032 . 1577 155 155 LYS H H 8.524 0.009 . 1578 155 155 LYS HA H 4.649 0.007 . 1579 155 155 LYS HB2 H 1.711 0.009 . 1580 155 155 LYS HB3 H 1.522 0.007 . 1581 155 155 LYS HG2 H 1.309 0.012 . 1582 155 155 LYS HG3 H 1.309 0.012 . 1583 155 155 LYS HD2 H 1.600 0.007 . 1584 155 155 LYS HD3 H 1.546 0.010 . 1585 155 155 LYS HE2 H 2.900 0.008 . 1586 155 155 LYS HE3 H 2.867 0.020 . 1587 155 155 LYS CA C 53.800 0.040 . 1588 155 155 LYS CB C 36.214 0.071 . 1589 155 155 LYS CG C 23.919 0.111 . 1590 155 155 LYS CD C 28.857 0.076 . 1591 155 155 LYS CE C 41.684 0.086 . 1592 155 155 LYS N N 126.186 0.070 . 1593 156 156 TYR H H 8.585 0.008 . 1594 156 156 TYR HA H 5.070 0.007 . 1595 156 156 TYR HB2 H 2.813 0.007 . 1596 156 156 TYR HB3 H 2.449 0.009 . 1597 156 156 TYR HD1 H 6.834 0.005 . 1598 156 156 TYR HD2 H 6.834 0.005 . 1599 156 156 TYR HE1 H 6.648 0.009 . 1600 156 156 TYR HE2 H 6.648 0.009 . 1601 156 156 TYR CA C 56.887 0.021 . 1602 156 156 TYR CB C 37.880 0.064 . 1603 156 156 TYR N N 123.426 0.035 . 1604 157 157 VAL H H 8.827 0.011 . 1605 157 157 VAL HA H 4.640 0.007 . 1606 157 157 VAL HB H 2.090 0.009 . 1607 157 157 VAL HG1 H 0.763 0.010 . 1608 157 157 VAL HG2 H 0.625 0.009 . 1609 157 157 VAL CA C 58.779 0.116 . 1610 157 157 VAL CB C 34.840 0.098 . 1611 157 157 VAL CG1 C 21.144 0.071 . 1612 157 157 VAL CG2 C 18.565 0.050 . 1613 157 157 VAL N N 118.598 0.024 . 1614 158 158 ARG H H 8.397 0.007 . 1615 158 158 ARG HA H 4.295 0.010 . 1616 158 158 ARG HB2 H 1.758 0.007 . 1617 158 158 ARG HB3 H 1.693 0.011 . 1618 158 158 ARG HG2 H 1.657 0.002 . 1619 158 158 ARG HG3 H 1.564 0.010 . 1620 158 158 ARG HD2 H 3.142 0.004 . 1621 158 158 ARG HD3 H 3.142 0.004 . 1622 158 158 ARG CA C 55.385 0.100 . 1623 158 158 ARG CB C 29.912 0.035 . 1624 158 158 ARG CG C 26.751 0.116 . 1625 158 158 ARG CD C 42.676 0.111 . 1626 158 158 ARG N N 122.908 0.053 . 1627 159 159 ALA H H 8.080 0.007 . 1628 159 159 ALA HA H 4.204 0.013 . 1629 159 159 ALA HB H 1.310 0.006 . 1630 159 159 ALA CA C 51.692 0.057 . 1631 159 159 ALA CB C 18.775 0.039 . 1632 159 159 ALA N N 126.397 0.037 . 1633 160 160 ASN H H 8.573 0.010 . 1634 160 160 ASN HA H 4.705 0.010 . 1635 160 160 ASN HB2 H 2.823 0.009 . 1636 160 160 ASN HB3 H 2.749 0.014 . 1637 160 160 ASN CA C 52.766 0.088 . 1638 160 160 ASN CB C 38.741 0.086 . 1639 160 160 ASN N N 119.368 0.055 . 1640 161 161 ASP H H 7.570 0.008 . 1641 161 161 ASP HA H 4.790 0.010 . 1642 161 161 ASP HB2 H 2.668 0.010 . 1643 161 161 ASP HB3 H 2.934 0.010 . 1644 161 161 ASP CA C 52.641 0.038 . 1645 161 161 ASP CB C 43.137 0.127 . 1646 161 161 ASP N N 117.691 0.030 . 1647 162 162 ASP H H 8.499 0.007 . 1648 162 162 ASP HA H 4.327 0.011 . 1649 162 162 ASP HB2 H 2.275 0.010 . 1650 162 162 ASP HB3 H 2.275 0.010 . 1651 162 162 ASP CA C 55.057 0.130 . 1652 162 162 ASP CB C 40.803 0.107 . 1653 162 162 ASP N N 118.599 0.162 . 1654 163 163 PHE H H 7.791 0.011 . 1655 163 163 PHE HA H 5.153 0.015 . 1656 163 163 PHE HB2 H 2.362 0.009 . 1657 163 163 PHE HB3 H 2.572 0.006 . 1658 163 163 PHE HD1 H 6.948 0.019 . 1659 163 163 PHE HD2 H 6.948 0.019 . 1660 163 163 PHE HE1 H 7.138 0.012 . 1661 163 163 PHE HE2 H 7.138 0.012 . 1662 163 163 PHE CA C 56.544 0.016 . 1663 163 163 PHE CB C 42.805 0.058 . 1664 163 163 PHE N N 116.943 0.022 . 1665 164 164 VAL H H 8.986 0.011 . 1666 164 164 VAL HA H 4.688 0.010 . 1667 164 164 VAL HB H 2.074 0.012 . 1668 164 164 VAL HG1 H 0.799 0.012 . 1669 164 164 VAL HG2 H 0.586 0.011 . 1670 164 164 VAL CA C 59.864 0.062 . 1671 164 164 VAL CB C 33.875 0.000 . 1672 164 164 VAL CG1 C 21.458 0.086 . 1673 164 164 VAL CG2 C 18.793 0.094 . 1674 164 164 VAL N N 112.967 0.026 . 1675 165 165 PHE H H 9.424 0.008 . 1676 165 165 PHE HA H 5.841 0.011 . 1677 165 165 PHE HB2 H 3.274 0.011 . 1678 165 165 PHE HB3 H 2.640 0.014 . 1679 165 165 PHE HD1 H 6.973 0.011 . 1680 165 165 PHE HD2 H 6.973 0.011 . 1681 165 165 PHE CA C 57.330 0.081 . 1682 165 165 PHE CB C 46.285 0.055 . 1683 165 165 PHE N N 115.552 0.016 . 1684 166 166 SER H H 9.098 0.008 . 1685 166 166 SER HA H 4.554 0.005 . 1686 166 166 SER HB2 H 4.056 0.004 . 1687 166 166 SER HB3 H 3.514 0.005 . 1688 166 166 SER CA C 57.196 0.097 . 1689 166 166 SER CB C 63.430 0.048 . 1690 166 166 SER N N 113.051 0.023 . 1691 167 167 LEU H H 9.495 0.006 . 1692 167 167 LEU HA H 4.965 0.014 . 1693 167 167 LEU HB2 H 1.865 0.007 . 1694 167 167 LEU HB3 H 1.865 0.007 . 1695 167 167 LEU HG H 1.673 0.006 . 1696 167 167 LEU HD1 H 0.924 0.008 . 1697 167 167 LEU HD2 H 0.825 0.011 . 1698 167 167 LEU CA C 54.522 0.059 . 1699 167 167 LEU CB C 43.406 0.059 . 1700 167 167 LEU CG C 26.192 0.099 . 1701 167 167 LEU N N 119.627 0.042 . 1702 168 168 ASN H H 8.348 0.017 . 1703 168 168 ASN HA H 5.056 0.011 . 1704 168 168 ASN HB2 H 2.717 0.009 . 1705 168 168 ASN HB3 H 2.717 0.009 . 1706 168 168 ASN CA C 51.796 0.094 . 1707 168 168 ASN CB C 39.984 0.042 . 1708 168 168 ASN N N 117.468 0.042 . 1709 169 169 ALA H H 9.362 0.017 . 1710 169 169 ALA HA H 4.800 0.014 . 1711 169 169 ALA HB H 1.436 0.015 . 1712 169 169 ALA CA C 50.392 0.073 . 1713 169 169 ALA CB C 19.413 0.169 . 1714 169 169 ALA N N 129.769 0.080 . 1715 170 170 LYS H H 8.596 0.008 . 1716 170 170 LYS HA H 4.020 0.007 . 1717 170 170 LYS HB2 H 1.195 0.006 . 1718 170 170 LYS HB3 H 1.369 0.012 . 1719 170 170 LYS HG2 H 1.641 0.005 . 1720 170 170 LYS HG3 H 1.641 0.005 . 1721 170 170 LYS HE2 H 3.095 0.010 . 1722 170 170 LYS HE3 H 3.095 0.010 . 1723 170 170 LYS CA C 56.521 0.021 . 1724 170 170 LYS CB C 30.239 0.071 . 1725 170 170 LYS CG C 27.163 0.074 . 1726 170 170 LYS CE C 42.801 0.025 . 1727 170 170 LYS N N 120.949 0.059 . 1728 171 171 LYS H H 8.268 0.003 . 1729 171 171 LYS N N 124.684 0.010 . 1730 172 172 TYR HA H 4.042 0.005 . 1731 172 172 TYR HB2 H 3.284 0.004 . 1732 172 172 TYR HB3 H 2.804 0.010 . 1733 172 172 TYR CA C 67.478 0.088 . 1734 172 172 TYR CB C 41.826 0.084 . 1735 173 173 HIS H H 9.321 0.007 . 1736 173 173 HIS N N 118.476 0.026 . 1737 174 174 ASN HA H 4.669 0.009 . 1738 174 174 ASN HB2 H 2.917 0.005 . 1739 174 174 ASN HB3 H 2.638 0.009 . 1740 174 174 ASN CA C 51.440 0.035 . 1741 174 174 ASN CB C 39.923 0.059 . 1742 175 175 VAL H H 7.574 0.007 . 1743 175 175 VAL HA H 4.931 0.008 . 1744 175 175 VAL HB H 2.259 0.009 . 1745 175 175 VAL HG1 H 0.882 0.012 . 1746 175 175 VAL HG2 H 0.628 0.005 . 1747 175 175 VAL CA C 58.654 0.076 . 1748 175 175 VAL CB C 34.771 0.086 . 1749 175 175 VAL CG1 C 22.678 0.029 . 1750 175 175 VAL CG2 C 17.214 0.056 . 1751 175 175 VAL N N 122.238 0.024 . 1752 176 176 ILE H H 9.289 0.007 . 1753 176 176 ILE HA H 4.626 0.011 . 1754 176 176 ILE HB H 1.838 0.008 . 1755 176 176 ILE HG12 H 0.645 0.008 . 1756 176 176 ILE HG13 H 1.430 0.009 . 1757 176 176 ILE HG2 H 0.518 0.008 . 1758 176 176 ILE HD1 H 0.562 0.011 . 1759 176 176 ILE CA C 60.667 0.094 . 1760 176 176 ILE CB C 37.699 0.053 . 1761 176 176 ILE CG1 C 26.843 0.156 . 1762 176 176 ILE CG2 C 17.453 0.089 . 1763 176 176 ILE CD1 C 13.245 0.070 . 1764 176 176 ILE N N 121.570 0.030 . 1765 177 177 ILE H H 9.342 0.011 . 1766 177 177 ILE HA H 5.427 0.007 . 1767 177 177 ILE HB H 1.592 0.010 . 1768 177 177 ILE HG12 H 1.130 0.011 . 1769 177 177 ILE HG13 H 0.760 0.011 . 1770 177 177 ILE HG2 H 0.342 0.010 . 1771 177 177 ILE HD1 H 0.544 0.010 . 1772 177 177 ILE CA C 57.025 0.047 . 1773 177 177 ILE CB C 41.740 0.118 . 1774 177 177 ILE CG1 C 25.254 0.048 . 1775 177 177 ILE CG2 C 16.897 0.088 . 1776 177 177 ILE CD1 C 14.820 0.076 . 1777 177 177 ILE N N 119.988 0.024 . 1778 178 178 ASN H H 9.109 0.007 . 1779 178 178 ASN HA H 4.104 0.009 . 1780 178 178 ASN HB2 H 2.801 0.010 . 1781 178 178 ASN HB3 H 3.371 0.006 . 1782 178 178 ASN CA C 53.912 0.050 . 1783 178 178 ASN CB C 36.647 0.076 . 1784 178 178 ASN N N 118.529 0.052 . 1785 179 179 GLU H H 8.088 0.009 . 1786 179 179 GLU HA H 4.488 0.009 . 1787 179 179 GLU HB2 H 2.060 0.012 . 1788 179 179 GLU HB3 H 2.060 0.012 . 1789 179 179 GLU HG2 H 2.342 0.004 . 1790 179 179 GLU HG3 H 2.218 0.000 . 1791 179 179 GLU CA C 55.333 0.036 . 1792 179 179 GLU CB C 26.147 0.055 . 1793 179 179 GLU CG C 35.657 0.023 . 1794 179 179 GLU N N 125.894 0.040 . 1795 180 180 ASN H H 7.843 0.007 . 1796 180 180 ASN HA H 3.758 0.007 . 1797 180 180 ASN HB2 H 2.773 0.007 . 1798 180 180 ASN HB3 H 3.306 0.010 . 1799 180 180 ASN HD21 H 6.765 0.014 . 1800 180 180 ASN HD22 H 7.359 0.020 . 1801 180 180 ASN CA C 53.862 0.085 . 1802 180 180 ASN CB C 35.177 0.076 . 1803 180 180 ASN N N 116.507 0.037 . 1804 180 180 ASN ND2 N 112.424 0.098 . 1805 181 181 ILE H H 8.660 0.006 . 1806 181 181 ILE HA H 3.892 0.007 . 1807 181 181 ILE HB H 1.426 0.008 . 1808 181 181 ILE HG12 H 0.688 0.012 . 1809 181 181 ILE HG13 H 1.573 0.011 . 1810 181 181 ILE HG2 H 0.177 0.008 . 1811 181 181 ILE HD1 H 0.851 0.011 . 1812 181 181 ILE CA C 61.760 0.081 . 1813 181 181 ILE CB C 38.997 0.064 . 1814 181 181 ILE CG1 C 27.672 0.080 . 1815 181 181 ILE CG2 C 16.077 0.062 . 1816 181 181 ILE CD1 C 15.430 0.070 . 1817 181 181 ILE N N 118.843 0.029 . 1818 182 182 VAL H H 8.637 0.012 . 1819 182 182 VAL HA H 4.663 0.009 . 1820 182 182 VAL HB H 1.929 0.009 . 1821 182 182 VAL HG1 H 0.669 0.002 . 1822 182 182 VAL HG2 H 0.576 0.010 . 1823 182 182 VAL CA C 61.265 0.069 . 1824 182 182 VAL CB C 30.590 0.030 . 1825 182 182 VAL CG1 C 21.177 0.029 . 1826 182 182 VAL CG2 C 20.003 0.050 . 1827 182 182 VAL N N 127.778 0.033 . 1828 183 183 THR H H 9.110 0.011 . 1829 183 183 THR HA H 4.899 0.008 . 1830 183 183 THR HB H 3.643 0.006 . 1831 183 183 THR HG2 H 1.341 0.006 . 1832 183 183 THR CA C 60.846 0.124 . 1833 183 183 THR CB C 70.478 0.059 . 1834 183 183 THR CG2 C 17.559 0.050 . 1835 183 183 THR N N 122.850 0.031 . 1836 184 184 HIS H H 7.690 0.012 . 1837 184 184 HIS HA H 4.976 0.001 . 1838 184 184 HIS HB2 H 4.131 0.002 . 1839 184 184 HIS HB3 H 2.837 0.019 . 1840 184 184 HIS CA C 56.249 0.130 . 1841 184 184 HIS CB C 29.402 0.164 . 1842 184 184 HIS N N 120.000 0.101 . stop_ save_