data_50361 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignment of an intein protein from a cyanobacterium Spirulina platensis ; _BMRB_accession_number 50361 _BMRB_flat_file_name bmr50361.str _Entry_type original _Submission_date 2020-06-25 _Accession_date 2020-06-25 _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 Boral Soumendu . . 2 De Soumya . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 790 "13C chemical shifts" 594 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-31 original BMRB . stop_ _Original_release_date 2020-06-25 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural, Dynamic, and Functional Characterization of a DnaX Mini-intein Derived from Spirulina platensis Provides Important Insights into Intein-Mediated Catalysis of Protein Splicing ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33289560 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boral Soumendu . . 2 Maiti Snigdha . . 3 Basak Aditya J. . 4 Lee Woonghee . . 5 De Soumya . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 59 _Journal_issue 50 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4711 _Page_last 4724 _Year 2020 _Details . loop_ _Keyword 'mini-intein, Spirulina platensis, Structural and functional characterization, highly active' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Spl DnaX mini-intein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Spl DnaX mini-intein' $entity_1 stop_ _System_molecular_weight 15790 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Protein splicing' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; EALTGDALILSDRGWLRIDD PTLQECRVLSYNESTQQWEW QQVLRWLDQGVRETWKIKTF QTEIKCTGNHLIRTDKGWIK AANITPKMKILSPEIDAAVK TALQDVESIEKLGVNHVYDI EVEHNHNFVANGLLVHN ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ALA 3 LEU 4 THR 5 GLY 6 ASP 7 ALA 8 LEU 9 ILE 10 LEU 11 SER 12 ASP 13 ARG 14 GLY 15 TRP 16 LEU 17 ARG 18 ILE 19 ASP 20 ASP 21 PRO 22 THR 23 LEU 24 GLN 25 GLU 26 CYS 27 ARG 28 VAL 29 LEU 30 SER 31 TYR 32 ASN 33 GLU 34 SER 35 THR 36 GLN 37 GLN 38 TRP 39 GLU 40 TRP 41 GLN 42 GLN 43 VAL 44 LEU 45 ARG 46 TRP 47 LEU 48 ASP 49 GLN 50 GLY 51 VAL 52 ARG 53 GLU 54 THR 55 TRP 56 LYS 57 ILE 58 LYS 59 THR 60 PHE 61 GLN 62 THR 63 GLU 64 ILE 65 LYS 66 CYS 67 THR 68 GLY 69 ASN 70 HIS 71 LEU 72 ILE 73 ARG 74 THR 75 ASP 76 LYS 77 GLY 78 TRP 79 ILE 80 LYS 81 ALA 82 ALA 83 ASN 84 ILE 85 THR 86 PRO 87 LYS 88 MET 89 LYS 90 ILE 91 LEU 92 SER 93 PRO 94 GLU 95 ILE 96 ASP 97 ALA 98 ALA 99 VAL 100 LYS 101 THR 102 ALA 103 LEU 104 GLN 105 ASP 106 VAL 107 GLU 108 SER 109 ILE 110 GLU 111 LYS 112 LEU 113 GLY 114 VAL 115 ASN 116 HIS 117 VAL 118 TYR 119 ASP 120 ILE 121 GLU 122 VAL 123 GLU 124 HIS 125 ASN 126 HIS 127 ASN 128 PHE 129 VAL 130 ALA 131 ASN 132 GLY 133 LEU 134 LEU 135 VAL 136 HIS 137 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Arthrospira platensis' 118562 Bacteria . Arthrospira platensis 'DNA polymerase III (DnaX)' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 (lDE3)' plasmid pET-28(a) 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.65 mM 0.6 0.7 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRFAM-SPARKY _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate; 50 mM sodium chloride; 0.02 % sodium azide; pH 6.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 external indirect . . . . DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D C(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Spl DnaX mini-intein' _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 GLU H H 7.186 0.01 . 2 1 1 GLU HA H 5.039 0.00 . 3 1 1 GLU HB2 H 2.825 0.00 . 4 1 1 GLU HB3 H 2.825 0.00 . 5 1 1 GLU C C 173.109 0.00 . 6 1 1 GLU CA C 56.632 0.04 . 7 1 1 GLU CB C 29.441 0.00 . 8 1 1 GLU N N 127.149 0.14 . 9 2 2 ALA H H 9.230 0.01 . 10 2 2 ALA HA H 4.790 0.00 . 11 2 2 ALA HB H 1.274 0.01 . 12 2 2 ALA C C 175.161 0.01 . 13 2 2 ALA CA C 54.315 0.11 . 14 2 2 ALA CB C 23.778 0.02 . 15 2 2 ALA N N 120.654 0.04 . 16 3 3 LEU H H 9.239 0.01 . 17 3 3 LEU HA H 5.277 0.00 . 18 3 3 LEU HB2 H 1.995 0.00 . 19 3 3 LEU HB3 H 1.741 0.00 . 20 3 3 LEU HG H 1.530 0.00 . 21 3 3 LEU HD1 H 0.700 0.01 . 22 3 3 LEU HD2 H 1.052 0.01 . 23 3 3 LEU C C 178.024 0.02 . 24 3 3 LEU CA C 54.469 0.06 . 25 3 3 LEU CB C 47.518 0.05 . 26 3 3 LEU CG C 28.002 0.00 . 27 3 3 LEU CD1 C 26.486 0.11 . 28 3 3 LEU CD2 C 28.966 0.09 . 29 3 3 LEU N N 117.692 0.06 . 30 4 4 THR H H 8.105 0.00 . 31 4 4 THR HA H 4.613 0.01 . 32 4 4 THR HB H 4.672 0.01 . 33 4 4 THR HG2 H 1.132 0.01 . 34 4 4 THR C C 175.341 0.01 . 35 4 4 THR CA C 63.961 0.07 . 36 4 4 THR CB C 69.211 0.05 . 37 4 4 THR CG2 C 24.000 0.03 . 38 4 4 THR N N 109.150 0.07 . 39 5 5 GLY H H 8.357 0.01 . 40 5 5 GLY HA2 H 3.659 0.00 . 41 5 5 GLY HA3 H 3.659 0.00 . 42 5 5 GLY C C 170.941 0.00 . 43 5 5 GLY CA C 48.914 0.03 . 44 5 5 GLY N N 102.607 0.06 . 45 6 6 ASP H H 8.170 0.00 . 46 6 6 ASP HA H 4.143 0.01 . 47 6 6 ASP HB2 H 2.857 0.01 . 48 6 6 ASP HB3 H 2.558 0.01 . 49 6 6 ASP C C 177.526 0.01 . 50 6 6 ASP CA C 52.651 0.05 . 51 6 6 ASP CB C 40.120 0.05 . 52 6 6 ASP N N 109.309 0.05 . 53 7 7 ALA H H 7.914 0.00 . 54 7 7 ALA HA H 4.145 0.01 . 55 7 7 ALA HB H 1.582 0.01 . 56 7 7 ALA C C 176.219 0.01 . 57 7 7 ALA CA C 54.015 0.03 . 58 7 7 ALA CB C 19.292 0.08 . 59 7 7 ALA N N 125.376 0.07 . 60 8 8 LEU H H 8.564 0.01 . 61 8 8 LEU HA H 4.901 0.01 . 62 8 8 LEU HB2 H 2.045 0.01 . 63 8 8 LEU HB3 H 1.369 0.01 . 64 8 8 LEU HG H 1.836 0.01 . 65 8 8 LEU HD1 H 0.733 0.00 . 66 8 8 LEU HD2 H 0.737 0.01 . 67 8 8 LEU C C 176.744 0.00 . 68 8 8 LEU CA C 53.533 0.06 . 69 8 8 LEU CB C 44.376 0.03 . 70 8 8 LEU CG C 26.737 0.06 . 71 8 8 LEU CD1 C 23.836 0.04 . 72 8 8 LEU CD2 C 25.818 0.03 . 73 8 8 LEU N N 121.462 0.05 . 74 9 9 ILE H H 10.208 0.01 . 75 9 9 ILE HA H 5.585 0.01 . 76 9 9 ILE HB H 2.237 0.01 . 77 9 9 ILE HG12 H 1.984 0.00 . 78 9 9 ILE HG13 H 1.051 0.00 . 79 9 9 ILE HG2 H 0.920 0.00 . 80 9 9 ILE HD1 H 0.934 0.00 . 81 9 9 ILE C C 178.256 0.00 . 82 9 9 ILE CA C 57.161 0.06 . 83 9 9 ILE CB C 37.708 0.06 . 84 9 9 ILE CG1 C 27.582 0.05 . 85 9 9 ILE CG2 C 18.914 0.06 . 86 9 9 ILE CD1 C 10.803 0.04 . 87 9 9 ILE N N 125.543 0.03 . 88 10 10 LEU H H 7.291 0.01 . 89 10 10 LEU HA H 3.413 0.01 . 90 10 10 LEU HB2 H 1.471 0.01 . 91 10 10 LEU HB3 H -0.083 0.01 . 92 10 10 LEU HG H 0.979 0.01 . 93 10 10 LEU HD1 H 0.442 0.01 . 94 10 10 LEU HD2 H -0.027 0.01 . 95 10 10 LEU C C 175.044 0.00 . 96 10 10 LEU CA C 56.548 0.06 . 97 10 10 LEU CB C 39.655 0.03 . 98 10 10 LEU CG C 26.672 0.13 . 99 10 10 LEU CD1 C 26.304 0.07 . 100 10 10 LEU CD2 C 20.826 0.05 . 101 10 10 LEU N N 126.889 0.05 . 102 11 11 SER H H 8.148 0.00 . 103 11 11 SER HA H 5.981 0.01 . 104 11 11 SER HB2 H 4.292 0.01 . 105 11 11 SER HB3 H 3.749 0.00 . 106 11 11 SER C C 176.065 0.01 . 107 11 11 SER CA C 57.761 0.05 . 108 11 11 SER CB C 70.168 0.04 . 109 11 11 SER N N 129.657 0.03 . 110 12 12 ASP H H 9.255 0.01 . 111 12 12 ASP HA H 3.675 0.00 . 112 12 12 ASP HB2 H 2.475 0.00 . 113 12 12 ASP HB3 H 1.631 0.00 . 114 12 12 ASP C C 176.945 0.01 . 115 12 12 ASP CA C 55.297 0.02 . 116 12 12 ASP CB C 38.835 0.04 . 117 12 12 ASP N N 121.716 0.06 . 118 13 13 ARG H H 8.551 0.00 . 119 13 13 ARG HA H 4.532 0.00 . 120 13 13 ARG HB2 H 1.875 0.00 . 121 13 13 ARG HB3 H 1.592 0.01 . 122 13 13 ARG HG2 H 1.592 0.00 . 123 13 13 ARG HG3 H 1.592 0.00 . 124 13 13 ARG HD2 H 3.041 0.00 . 125 13 13 ARG HD3 H 2.849 0.00 . 126 13 13 ARG HE H 7.244 0.00 . 127 13 13 ARG C C 176.111 0.01 . 128 13 13 ARG CA C 55.562 0.04 . 129 13 13 ARG CB C 31.132 0.04 . 130 13 13 ARG CG C 26.787 0.05 . 131 13 13 ARG CD C 44.338 0.06 . 132 13 13 ARG N N 118.960 0.06 . 133 13 13 ARG NE N 85.631 0.02 . 134 14 14 GLY H H 7.482 0.00 . 135 14 14 GLY HA2 H 4.602 0.01 . 136 14 14 GLY HA3 H 3.607 0.00 . 137 14 14 GLY C C 175.916 0.00 . 138 14 14 GLY CA C 43.507 0.06 . 139 14 14 GLY N N 108.440 0.06 . 140 15 15 TRP H H 8.928 0.00 . 141 15 15 TRP HA H 5.114 0.01 . 142 15 15 TRP HB2 H 3.134 0.01 . 143 15 15 TRP HB3 H 3.134 0.01 . 144 15 15 TRP HD1 H 7.356 0.01 . 145 15 15 TRP HE1 H 10.291 0.01 . 146 15 15 TRP HZ2 H 7.444 0.01 . 147 15 15 TRP HH2 H 6.776 0.01 . 148 15 15 TRP C C 176.634 0.00 . 149 15 15 TRP CA C 57.665 0.05 . 150 15 15 TRP CB C 29.560 0.07 . 151 15 15 TRP CD1 C 128.748 0.13 . 152 15 15 TRP CZ2 C 115.179 0.15 . 153 15 15 TRP CH2 C 123.274 0.11 . 154 15 15 TRP N N 124.439 0.09 . 155 15 15 TRP NE1 N 130.109 0.06 . 156 16 16 LEU H H 8.991 0.00 . 157 16 16 LEU HA H 4.838 0.01 . 158 16 16 LEU HB2 H 1.561 0.01 . 159 16 16 LEU HB3 H 1.484 0.01 . 160 16 16 LEU HD1 H 0.783 0.00 . 161 16 16 LEU HD2 H 0.667 0.00 . 162 16 16 LEU C C 177.334 0.01 . 163 16 16 LEU CA C 53.826 0.03 . 164 16 16 LEU CB C 45.845 0.07 . 165 16 16 LEU CG C 28.025 0.00 . 166 16 16 LEU CD1 C 23.766 0.03 . 167 16 16 LEU CD2 C 25.926 0.09 . 168 16 16 LEU N N 128.455 0.06 . 169 17 17 ARG H H 8.761 0.00 . 170 17 17 ARG HA H 4.572 0.00 . 171 17 17 ARG HB2 H 2.578 0.01 . 172 17 17 ARG HB3 H 1.411 0.00 . 173 17 17 ARG HD2 H 3.487 0.01 . 174 17 17 ARG HD3 H 2.982 0.00 . 175 17 17 ARG HE H 8.417 0.01 . 176 17 17 ARG C C 179.045 0.00 . 177 17 17 ARG CA C 57.236 0.02 . 178 17 17 ARG CB C 33.207 0.03 . 179 17 17 ARG CG C 29.592 0.00 . 180 17 17 ARG CD C 44.374 0.07 . 181 17 17 ARG N N 123.321 0.06 . 182 17 17 ARG NE N 86.122 0.04 . 183 18 18 ILE H H 8.874 0.00 . 184 18 18 ILE HA H 4.202 0.01 . 185 18 18 ILE HB H 1.742 0.01 . 186 18 18 ILE HG12 H 1.582 0.00 . 187 18 18 ILE HG13 H 1.368 0.00 . 188 18 18 ILE HG2 H 1.064 0.01 . 189 18 18 ILE HD1 H 0.908 0.00 . 190 18 18 ILE C C 175.565 0.01 . 191 18 18 ILE CA C 63.188 0.06 . 192 18 18 ILE CB C 38.820 0.07 . 193 18 18 ILE CG1 C 29.940 0.03 . 194 18 18 ILE CG2 C 19.919 0.08 . 195 18 18 ILE CD1 C 16.160 0.05 . 196 18 18 ILE N N 118.891 0.05 . 197 19 19 ASP H H 7.472 0.00 . 198 19 19 ASP HA H 3.786 0.01 . 199 19 19 ASP HB2 H 2.455 0.00 . 200 19 19 ASP HB3 H 1.398 0.01 . 201 19 19 ASP C C 174.419 0.01 . 202 19 19 ASP CA C 53.569 0.07 . 203 19 19 ASP CB C 38.647 0.13 . 204 19 19 ASP N N 115.941 0.03 . 205 20 20 ASP H H 7.892 0.01 . 206 20 20 ASP HA H 4.670 0.01 . 207 20 20 ASP HB2 H 3.581 0.01 . 208 20 20 ASP HB3 H 2.361 0.00 . 209 20 20 ASP C C 176.722 0.00 . 210 20 20 ASP CA C 50.407 0.03 . 211 20 20 ASP CB C 42.230 0.01 . 212 20 20 ASP N N 121.282 0.10 . 213 21 21 PRO HA H 2.455 0.01 . 214 21 21 PRO HB2 H 1.257 0.00 . 215 21 21 PRO HB3 H 0.689 0.01 . 216 21 21 PRO HG2 H 1.340 0.00 . 217 21 21 PRO HG3 H 1.340 0.00 . 218 21 21 PRO HD2 H 3.697 0.00 . 219 21 21 PRO HD3 H 3.473 0.01 . 220 21 21 PRO C C 179.622 0.00 . 221 21 21 PRO CA C 63.438 0.07 . 222 21 21 PRO CB C 31.344 0.02 . 223 21 21 PRO CG C 26.252 0.00 . 224 21 21 PRO CD C 50.811 0.01 . 225 22 22 THR H H 8.288 0.00 . 226 22 22 THR HA H 4.316 0.00 . 227 22 22 THR HB H 3.726 0.01 . 228 22 22 THR HG2 H 1.049 0.00 . 229 22 22 THR C C 177.060 0.01 . 230 22 22 THR CA C 65.962 0.04 . 231 22 22 THR CB C 68.432 0.06 . 232 22 22 THR CG2 C 21.889 0.00 . 233 22 22 THR N N 116.305 0.10 . 234 23 23 LEU H H 7.939 0.01 . 235 23 23 LEU HA H 3.969 0.01 . 236 23 23 LEU HB2 H 1.797 0.00 . 237 23 23 LEU HB3 H 1.342 0.01 . 238 23 23 LEU HG H 1.676 0.00 . 239 23 23 LEU HD1 H 0.820 0.00 . 240 23 23 LEU HD2 H 1.036 0.00 . 241 23 23 LEU C C 178.709 0.01 . 242 23 23 LEU CA C 59.047 0.09 . 243 23 23 LEU CB C 43.976 0.05 . 244 23 23 LEU CG C 28.920 0.00 . 245 23 23 LEU CD1 C 25.568 0.02 . 246 23 23 LEU CD2 C 27.321 0.01 . 247 23 23 LEU N N 122.119 0.06 . 248 24 24 GLN H H 7.536 0.01 . 249 24 24 GLN HA H 3.886 0.01 . 250 24 24 GLN HB2 H 2.180 0.01 . 251 24 24 GLN HB3 H 1.992 0.01 . 252 24 24 GLN HG2 H 2.508 0.01 . 253 24 24 GLN HG3 H 2.198 0.00 . 254 24 24 GLN HE21 H 7.479 0.00 . 255 24 24 GLN HE22 H 6.907 0.00 . 256 24 24 GLN C C 176.049 0.01 . 257 24 24 GLN CA C 58.404 0.06 . 258 24 24 GLN CB C 29.978 0.02 . 259 24 24 GLN CG C 35.197 0.09 . 260 24 24 GLN N N 113.589 0.04 . 261 24 24 GLN NE2 N 111.797 0.00 . 262 25 25 GLU H H 7.803 0.00 . 263 25 25 GLU HA H 4.447 0.01 . 264 25 25 GLU HB2 H 2.292 0.00 . 265 25 25 GLU HB3 H 1.998 0.01 . 266 25 25 GLU HG2 H 2.226 0.00 . 267 25 25 GLU HG3 H 2.226 0.00 . 268 25 25 GLU C C 178.042 0.01 . 269 25 25 GLU CA C 56.011 0.03 . 270 25 25 GLU CB C 30.375 0.02 . 271 25 25 GLU CG C 36.741 0.10 . 272 25 25 GLU N N 115.428 0.08 . 273 26 26 CYS H H 7.568 0.00 . 274 26 26 CYS HA H 4.753 0.01 . 275 26 26 CYS HB2 H 3.208 0.00 . 276 26 26 CYS HB3 H 3.032 0.01 . 277 26 26 CYS C C 174.831 0.01 . 278 26 26 CYS CA C 60.134 0.07 . 279 26 26 CYS CB C 31.068 0.03 . 280 26 26 CYS N N 116.757 0.01 . 281 27 27 ARG H H 7.797 0.00 . 282 27 27 ARG HA H 5.093 0.01 . 283 27 27 ARG HB2 H 1.632 0.00 . 284 27 27 ARG HB3 H 1.632 0.00 . 285 27 27 ARG HG2 H 1.310 0.01 . 286 27 27 ARG HG3 H 1.310 0.01 . 287 27 27 ARG HD2 H 3.063 0.01 . 288 27 27 ARG HD3 H 3.063 0.01 . 289 27 27 ARG HE H 7.164 0.00 . 290 27 27 ARG C C 177.095 0.00 . 291 27 27 ARG CA C 55.304 0.00 . 292 27 27 ARG CB C 33.116 0.01 . 293 27 27 ARG CG C 28.015 0.02 . 294 27 27 ARG CD C 44.116 0.11 . 295 27 27 ARG N N 115.970 0.05 . 296 27 27 ARG NE N 83.956 0.02 . 297 28 28 VAL H H 9.447 0.00 . 298 28 28 VAL HA H 5.344 0.01 . 299 28 28 VAL HB H 2.631 0.00 . 300 28 28 VAL HG1 H 0.863 0.01 . 301 28 28 VAL HG2 H 0.577 0.01 . 302 28 28 VAL C C 175.750 0.00 . 303 28 28 VAL CA C 58.848 0.07 . 304 28 28 VAL CB C 34.918 0.06 . 305 28 28 VAL CG1 C 19.999 0.08 . 306 28 28 VAL CG2 C 22.270 0.09 . 307 28 28 VAL N N 111.053 0.02 . 308 29 29 LEU H H 6.995 0.01 . 309 29 29 LEU HA H 3.530 0.01 . 310 29 29 LEU HB2 H 1.255 0.01 . 311 29 29 LEU HB3 H -0.048 0.01 . 312 29 29 LEU HG H 1.531 0.00 . 313 29 29 LEU HD1 H 0.297 0.01 . 314 29 29 LEU HD2 H -0.270 0.01 . 315 29 29 LEU C C 175.543 0.01 . 316 29 29 LEU CA C 55.926 0.09 . 317 29 29 LEU CB C 41.232 0.06 . 318 29 29 LEU CG C 26.520 0.01 . 319 29 29 LEU CD1 C 26.984 0.06 . 320 29 29 LEU CD2 C 21.345 0.12 . 321 29 29 LEU N N 125.061 0.02 . 322 30 30 SER H H 8.736 0.01 . 323 30 30 SER HA H 4.792 0.01 . 324 30 30 SER HB2 H 4.136 0.00 . 325 30 30 SER HB3 H 3.952 0.01 . 326 30 30 SER C C 171.725 0.00 . 327 30 30 SER CA C 57.665 0.09 . 328 30 30 SER CB C 69.340 0.12 . 329 30 30 SER N N 120.578 0.02 . 330 31 31 TYR H H 10.256 0.01 . 331 31 31 TYR HA H 4.271 0.01 . 332 31 31 TYR HB2 H 2.110 0.00 . 333 31 31 TYR HB3 H 1.449 0.01 . 334 31 31 TYR C C 174.799 0.00 . 335 31 31 TYR CA C 57.095 0.06 . 336 31 31 TYR CB C 43.783 0.06 . 337 31 31 TYR N N 123.997 0.04 . 338 32 32 ASN H H 8.169 0.00 . 339 32 32 ASN HA H 4.333 0.01 . 340 32 32 ASN HB2 H 2.908 0.00 . 341 32 32 ASN HB3 H 2.196 0.00 . 342 32 32 ASN HD21 H 7.944 0.00 . 343 32 32 ASN HD22 H 6.842 0.00 . 344 32 32 ASN C C 176.054 0.00 . 345 32 32 ASN CA C 51.557 0.03 . 346 32 32 ASN CB C 38.351 0.06 . 347 32 32 ASN N N 127.137 0.04 . 348 32 32 ASN ND2 N 114.799 0.01 . 349 33 33 GLU H H 8.574 0.01 . 350 33 33 GLU HA H 3.573 0.00 . 351 33 33 GLU HB2 H 2.184 0.01 . 352 33 33 GLU HB3 H 1.985 0.00 . 353 33 33 GLU HG2 H 2.598 0.00 . 354 33 33 GLU HG3 H 2.598 0.00 . 355 33 33 GLU C C 178.572 0.01 . 356 33 33 GLU CA C 59.306 0.04 . 357 33 33 GLU CB C 30.961 0.03 . 358 33 33 GLU CG C 38.547 0.04 . 359 33 33 GLU N N 123.252 0.03 . 360 34 34 SER H H 8.329 0.00 . 361 34 34 SER HA H 4.292 0.00 . 362 34 34 SER HB2 H 3.956 0.01 . 363 34 34 SER HB3 H 3.901 0.01 . 364 34 34 SER C C 176.681 0.00 . 365 34 34 SER CA C 61.429 0.03 . 366 34 34 SER CB C 63.299 0.08 . 367 34 34 SER N N 114.096 0.06 . 368 35 35 THR H H 7.168 0.00 . 369 35 35 THR HA H 4.647 0.00 . 370 35 35 THR HB H 4.168 0.01 . 371 35 35 THR HG2 H 0.965 0.01 . 372 35 35 THR C C 176.029 0.01 . 373 35 35 THR CA C 61.441 0.06 . 374 35 35 THR CB C 69.909 0.10 . 375 35 35 THR CG2 C 21.941 0.06 . 376 35 35 THR N N 109.216 0.04 . 377 36 36 GLN H H 7.966 0.01 . 378 36 36 GLN HA H 3.130 0.00 . 379 36 36 GLN HB2 H 2.274 0.01 . 380 36 36 GLN HB3 H 2.114 0.00 . 381 36 36 GLN HG2 H 2.045 0.00 . 382 36 36 GLN HG3 H 2.045 0.00 . 383 36 36 GLN HE21 H 7.386 0.00 . 384 36 36 GLN HE22 H 6.675 0.00 . 385 36 36 GLN C C 174.772 0.02 . 386 36 36 GLN CA C 57.450 0.05 . 387 36 36 GLN CB C 25.855 0.03 . 388 36 36 GLN CG C 34.805 0.04 . 389 36 36 GLN N N 117.120 0.08 . 390 36 36 GLN NE2 N 112.453 0.01 . 391 37 37 GLN H H 6.731 0.00 . 392 37 37 GLN HA H 4.546 0.00 . 393 37 37 GLN HB2 H 1.997 0.00 . 394 37 37 GLN HB3 H 1.590 0.00 . 395 37 37 GLN HG2 H 2.254 0.00 . 396 37 37 GLN HG3 H 2.254 0.00 . 397 37 37 GLN C C 174.731 0.00 . 398 37 37 GLN CA C 53.758 0.04 . 399 37 37 GLN CB C 32.305 0.03 . 400 37 37 GLN CG C 33.559 0.04 . 401 37 37 GLN N N 114.480 0.04 . 402 38 38 TRP H H 8.490 0.01 . 403 38 38 TRP HA H 5.053 0.01 . 404 38 38 TRP HB2 H 2.841 0.01 . 405 38 38 TRP HB3 H 2.841 0.01 . 406 38 38 TRP HD1 H 7.231 0.00 . 407 38 38 TRP HE1 H 10.284 0.01 . 408 38 38 TRP HE3 H 6.733 0.00 . 409 38 38 TRP HZ2 H 6.777 0.00 . 410 38 38 TRP HH2 H 6.395 0.01 . 411 38 38 TRP C C 177.366 0.00 . 412 38 38 TRP CA C 56.587 0.08 . 413 38 38 TRP CB C 29.382 0.03 . 414 38 38 TRP CD1 C 128.430 0.06 . 415 38 38 TRP CZ2 C 113.555 0.03 . 416 38 38 TRP CH2 C 122.752 0.14 . 417 38 38 TRP N N 123.191 0.03 . 418 38 38 TRP NE1 N 130.973 0.02 . 419 39 39 GLU H H 9.213 0.00 . 420 39 39 GLU HA H 4.706 0.00 . 421 39 39 GLU HB2 H 1.805 0.00 . 422 39 39 GLU HB3 H 1.595 0.01 . 423 39 39 GLU HG2 H 2.014 0.01 . 424 39 39 GLU HG3 H 2.014 0.01 . 425 39 39 GLU C C 176.714 0.01 . 426 39 39 GLU CA C 54.419 0.02 . 427 39 39 GLU CB C 35.037 0.04 . 428 39 39 GLU CG C 36.788 0.00 . 429 39 39 GLU N N 120.687 0.07 . 430 40 40 TRP H H 8.991 0.01 . 431 40 40 TRP HA H 4.936 0.01 . 432 40 40 TRP HB2 H 3.047 0.01 . 433 40 40 TRP HB3 H 2.815 0.01 . 434 40 40 TRP HD1 H 7.322 0.00 . 435 40 40 TRP HE1 H 10.216 0.01 . 436 40 40 TRP HE3 H 6.851 0.00 . 437 40 40 TRP HZ2 H 7.274 0.01 . 438 40 40 TRP HH2 H 6.647 0.01 . 439 40 40 TRP C C 177.467 0.02 . 440 40 40 TRP CA C 56.923 0.07 . 441 40 40 TRP CB C 29.549 0.07 . 442 40 40 TRP CD1 C 128.462 0.13 . 443 40 40 TRP CZ2 C 114.614 0.13 . 444 40 40 TRP CH2 C 123.664 0.03 . 445 40 40 TRP N N 127.304 0.08 . 446 40 40 TRP NE1 N 129.804 0.03 . 447 41 41 GLN H H 9.077 0.00 . 448 41 41 GLN HA H 4.998 0.00 . 449 41 41 GLN HB2 H 2.597 0.01 . 450 41 41 GLN HB3 H 1.605 0.00 . 451 41 41 GLN HG2 H 2.007 0.00 . 452 41 41 GLN HG3 H 2.007 0.00 . 453 41 41 GLN HE22 H 6.683 0.00 . 454 41 41 GLN C C 175.742 0.01 . 455 41 41 GLN CA C 54.125 0.02 . 456 41 41 GLN CB C 33.402 0.05 . 457 41 41 GLN CG C 33.006 0.01 . 458 41 41 GLN N N 121.503 0.05 . 459 41 41 GLN NE2 N 108.834 0.00 . 460 42 42 GLN H H 9.532 0.00 . 461 42 42 GLN HA H 4.071 0.00 . 462 42 42 GLN HB2 H 2.142 0.00 . 463 42 42 GLN HB3 H 1.988 0.00 . 464 42 42 GLN HG2 H 2.364 0.00 . 465 42 42 GLN HG3 H 2.145 0.00 . 466 42 42 GLN HE21 H 8.025 0.00 . 467 42 42 GLN HE22 H 5.972 0.00 . 468 42 42 GLN C C 175.901 0.02 . 469 42 42 GLN CA C 57.047 0.03 . 470 42 42 GLN CB C 30.472 0.05 . 471 42 42 GLN CG C 32.956 0.04 . 472 42 42 GLN N N 121.619 0.01 . 473 42 42 GLN NE2 N 115.195 0.01 . 474 43 43 VAL H H 8.029 0.00 . 475 43 43 VAL HA H 4.169 0.01 . 476 43 43 VAL HB H 2.425 0.00 . 477 43 43 VAL HG1 H 0.898 0.01 . 478 43 43 VAL HG2 H 0.744 0.00 . 479 43 43 VAL C C 177.061 0.00 . 480 43 43 VAL CA C 63.900 0.03 . 481 43 43 VAL CB C 32.200 0.04 . 482 43 43 VAL CG1 C 25.360 0.01 . 483 43 43 VAL CG2 C 22.481 0.01 . 484 43 43 VAL N N 124.649 0.07 . 485 44 44 LEU H H 9.064 0.00 . 486 44 44 LEU HA H 4.363 0.00 . 487 44 44 LEU HB2 H 1.451 0.01 . 488 44 44 LEU HB3 H 1.451 0.01 . 489 44 44 LEU HD1 H 0.736 0.01 . 490 44 44 LEU HD2 H 0.778 0.00 . 491 44 44 LEU C C 178.419 0.00 . 492 44 44 LEU CA C 56.148 0.04 . 493 44 44 LEU CB C 43.863 0.03 . 494 44 44 LEU CG C 27.155 0.00 . 495 44 44 LEU CD1 C 22.080 0.01 . 496 44 44 LEU CD2 C 25.696 0.06 . 497 44 44 LEU N N 127.822 0.03 . 498 45 45 ARG H H 7.178 0.00 . 499 45 45 ARG HA H 4.665 0.00 . 500 45 45 ARG HB2 H 1.816 0.01 . 501 45 45 ARG HB3 H 1.683 0.01 . 502 45 45 ARG HG2 H 1.575 0.01 . 503 45 45 ARG HG3 H 1.575 0.01 . 504 45 45 ARG HD2 H 3.160 0.00 . 505 45 45 ARG HD3 H 3.160 0.00 . 506 45 45 ARG HE H 7.390 0.00 . 507 45 45 ARG C C 173.527 0.00 . 508 45 45 ARG CA C 55.944 0.03 . 509 45 45 ARG CB C 35.251 0.02 . 510 45 45 ARG CG C 27.410 0.03 . 511 45 45 ARG CD C 44.090 0.07 . 512 45 45 ARG N N 113.107 0.03 . 513 45 45 ARG NE N 84.456 0.03 . 514 46 46 TRP H H 8.632 0.00 . 515 46 46 TRP HA H 4.859 0.03 . 516 46 46 TRP HB2 H 3.406 0.01 . 517 46 46 TRP HB3 H 2.766 0.01 . 518 46 46 TRP HD1 H 6.858 0.02 . 519 46 46 TRP HE1 H 10.871 0.01 . 520 46 46 TRP HZ2 H 7.123 0.00 . 521 46 46 TRP HH2 H 6.914 0.01 . 522 46 46 TRP C C 174.829 0.01 . 523 46 46 TRP CA C 58.350 0.10 . 524 46 46 TRP CB C 32.337 0.08 . 525 46 46 TRP CD1 C 127.539 0.03 . 526 46 46 TRP CZ2 C 114.870 0.10 . 527 46 46 TRP N N 125.522 0.06 . 528 46 46 TRP NE1 N 132.225 0.01 . 529 47 47 LEU H H 8.328 0.01 . 530 47 47 LEU HA H 4.307 0.01 . 531 47 47 LEU HB2 H 1.216 0.00 . 532 47 47 LEU HB3 H 1.081 0.01 . 533 47 47 LEU HD1 H 0.694 0.01 . 534 47 47 LEU HD2 H 0.602 0.00 . 535 47 47 LEU C C 174.416 0.01 . 536 47 47 LEU CA C 54.682 0.04 . 537 47 47 LEU CB C 45.026 0.10 . 538 47 47 LEU CD1 C 25.432 0.02 . 539 47 47 LEU CD2 C 26.099 0.04 . 540 47 47 LEU N N 126.451 0.06 . 541 48 48 ASP H H 7.922 0.01 . 542 48 48 ASP HA H 4.184 0.01 . 543 48 48 ASP HB2 H 2.891 0.00 . 544 48 48 ASP HB3 H 2.488 0.00 . 545 48 48 ASP C C 178.254 0.00 . 546 48 48 ASP CA C 53.613 0.10 . 547 48 48 ASP CB C 40.296 0.04 . 548 48 48 ASP N N 121.728 0.05 . 549 49 49 GLN H H 7.959 0.01 . 550 49 49 GLN HA H 4.741 0.00 . 551 49 49 GLN HB2 H 1.780 0.01 . 552 49 49 GLN HB3 H 1.165 0.00 . 553 49 49 GLN HG2 H 1.866 0.00 . 554 49 49 GLN HG3 H 1.638 0.01 . 555 49 49 GLN HE21 H 7.324 0.00 . 556 49 49 GLN HE22 H 6.855 0.00 . 557 49 49 GLN C C 176.449 0.02 . 558 49 49 GLN CA C 54.986 0.03 . 559 49 49 GLN CB C 30.793 0.07 . 560 49 49 GLN CG C 32.322 0.05 . 561 49 49 GLN N N 124.027 0.05 . 562 49 49 GLN NE2 N 112.907 0.00 . 563 50 50 GLY H H 7.967 0.01 . 564 50 50 GLY HA2 H 3.767 0.00 . 565 50 50 GLY HA3 H 3.304 0.00 . 566 50 50 GLY C C 172.058 0.01 . 567 50 50 GLY CA C 45.356 0.03 . 568 50 50 GLY N N 108.273 0.06 . 569 51 51 VAL H H 7.892 0.01 . 570 51 51 VAL HA H 4.492 0.00 . 571 51 51 VAL HB H 1.636 0.01 . 572 51 51 VAL HG1 H 0.523 0.01 . 573 51 51 VAL HG2 H 0.542 0.01 . 574 51 51 VAL C C 177.437 0.00 . 575 51 51 VAL CA C 61.372 0.05 . 576 51 51 VAL CB C 32.439 0.04 . 577 51 51 VAL CG1 C 20.466 0.05 . 578 51 51 VAL CG2 C 21.486 0.05 . 579 51 51 VAL N N 119.411 0.03 . 580 52 52 ARG H H 8.350 0.01 . 581 52 52 ARG HA H 4.769 0.00 . 582 52 52 ARG HB2 H 2.004 0.00 . 583 52 52 ARG HB3 H 1.284 0.01 . 584 52 52 ARG HG2 H 1.52 0.00 . 585 52 52 ARG HG3 H 1.52 0.00 . 586 52 52 ARG HD2 H 3.320 0.01 . 587 52 52 ARG HD3 H 2.835 0.01 . 588 52 52 ARG HE H 7.075 0.00 . 589 52 52 ARG C C 175.730 0.09 . 590 52 52 ARG CA C 53.888 0.04 . 591 52 52 ARG CB C 36.280 0.04 . 592 52 52 ARG CG C 27.239 0.05 . 593 52 52 ARG CD C 43.628 0.06 . 594 52 52 ARG N N 123.494 0.08 . 595 52 52 ARG NE N 84.901 0.03 . 596 53 53 GLU H H 8.688 0.01 . 597 53 53 GLU HA H 3.997 0.00 . 598 53 53 GLU HB2 H 2.098 0.00 . 599 53 53 GLU HB3 H 2.006 0.00 . 600 53 53 GLU HG2 H 2.233 0.00 . 601 53 53 GLU HG3 H 2.093 0.00 . 602 53 53 GLU C C 178.000 0.01 . 603 53 53 GLU CA C 58.616 0.03 . 604 53 53 GLU CB C 30.675 0.06 . 605 53 53 GLU CG C 37.389 0.02 . 606 53 53 GLU N N 120.659 0.02 . 607 54 54 THR H H 7.874 0.01 . 608 54 54 THR HA H 5.290 0.00 . 609 54 54 THR HB H 3.987 0.01 . 610 54 54 THR HG2 H 0.923 0.00 . 611 54 54 THR C C 173.456 0.00 . 612 54 54 THR CA C 60.423 0.02 . 613 54 54 THR CB C 75.128 0.08 . 614 54 54 THR CG2 C 24.291 0.04 . 615 54 54 THR N N 111.225 0.08 . 616 55 55 TRP H H 9.840 0.01 . 617 55 55 TRP HA H 4.818 0.01 . 618 55 55 TRP HB2 H 2.951 0.00 . 619 55 55 TRP HB3 H 2.902 0.00 . 620 55 55 TRP HD1 H 6.867 0.01 . 621 55 55 TRP HE1 H 10.339 0.00 . 622 55 55 TRP HZ2 H 7.431 0.01 . 623 55 55 TRP HZ3 H 6.995 0.00 . 624 55 55 TRP HH2 H 7.200 0.01 . 625 55 55 TRP C C 174.498 0.00 . 626 55 55 TRP CA C 57.494 0.03 . 627 55 55 TRP CB C 33.082 0.02 . 628 55 55 TRP CD1 C 124.618 0.09 . 629 55 55 TRP CZ2 C 114.516 0.05 . 630 55 55 TRP CZ3 C 121.734 0.05 . 631 55 55 TRP CH2 C 124.883 0.10 . 632 55 55 TRP N N 123.421 0.06 . 633 55 55 TRP NE1 N 128.672 0.02 . 634 56 56 LYS H H 9.576 0.01 . 635 56 56 LYS HA H 5.372 0.01 . 636 56 56 LYS HB2 H 1.806 0.00 . 637 56 56 LYS HB3 H 1.563 0.00 . 638 56 56 LYS HG2 H 1.194 0.00 . 639 56 56 LYS HG3 H 1.132 0.00 . 640 56 56 LYS C C 176.160 0.00 . 641 56 56 LYS CA C 54.879 0.10 . 642 56 56 LYS CB C 35.846 0.02 . 643 56 56 LYS CG C 25.130 0.00 . 644 56 56 LYS CD C 29.631 0.00 . 645 56 56 LYS CE C 41.774 0.00 . 646 56 56 LYS N N 119.707 0.03 . 647 57 57 ILE H H 9.213 0.01 . 648 57 57 ILE HA H 4.525 0.01 . 649 57 57 ILE HB H 1.873 0.00 . 650 57 57 ILE HG12 H 1.399 0.00 . 651 57 57 ILE HG13 H 1.267 0.00 . 652 57 57 ILE HG2 H 0.719 0.00 . 653 57 57 ILE HD1 H 0.840 0.00 . 654 57 57 ILE C C 174.595 0.00 . 655 57 57 ILE CA C 60.678 0.07 . 656 57 57 ILE CB C 39.014 0.05 . 657 57 57 ILE CG1 C 28.912 0.00 . 658 57 57 ILE CG2 C 18.419 0.04 . 659 57 57 ILE CD1 C 14.179 0.00 . 660 57 57 ILE N N 130.337 0.06 . 661 58 58 LYS H H 8.720 0.00 . 662 58 58 LYS HA H 5.110 0.00 . 663 58 58 LYS HB2 H 2.100 0.01 . 664 58 58 LYS HB3 H 1.479 0.01 . 665 58 58 LYS HG2 H 1.600 0.01 . 666 58 58 LYS HG3 H 1.550 0.00 . 667 58 58 LYS HD2 H 1.536 0.00 . 668 58 58 LYS HD3 H 1.536 0.00 . 669 58 58 LYS HE2 H 2.934 0.01 . 670 58 58 LYS HE3 H 2.934 0.01 . 671 58 58 LYS C C 178.397 0.00 . 672 58 58 LYS CA C 55.368 0.10 . 673 58 58 LYS CB C 36.404 0.07 . 674 58 58 LYS CG C 25.257 0.00 . 675 58 58 LYS CD C 29.671 0.01 . 676 58 58 LYS CE C 42.356 0.07 . 677 58 58 LYS N N 126.892 0.05 . 678 59 59 THR H H 9.199 0.01 . 679 59 59 THR HA H 5.151 0.00 . 680 59 59 THR HB H 4.866 0.01 . 681 59 59 THR HG2 H 0.945 0.00 . 682 59 59 THR C C 174.340 0.00 . 683 59 59 THR CA C 60.069 0.03 . 684 59 59 THR CB C 71.137 0.09 . 685 59 59 THR CG2 C 22.215 0.03 . 686 59 59 THR N N 118.003 0.07 . 687 60 60 PHE H H 8.296 0.01 . 688 60 60 PHE HA H 4.434 0.01 . 689 60 60 PHE HB2 H 3.201 0.01 . 690 60 60 PHE HB3 H 3.201 0.01 . 691 60 60 PHE HD1 H 7.349 0.01 . 692 60 60 PHE HD2 H 7.346 0.00 . 693 60 60 PHE C C 177.198 0.01 . 694 60 60 PHE CA C 61.207 0.09 . 695 60 60 PHE CB C 38.768 0.06 . 696 60 60 PHE CD1 C 131.977 0.08 . 697 60 60 PHE CD2 C 131.757 0.00 . 698 60 60 PHE N N 115.895 0.05 . 699 61 61 GLN H H 7.921 0.00 . 700 61 61 GLN HA H 4.440 0.00 . 701 61 61 GLN HB2 H 1.994 0.00 . 702 61 61 GLN HB3 H 1.896 0.00 . 703 61 61 GLN HG2 H 2.289 0.00 . 704 61 61 GLN HG3 H 2.179 0.00 . 705 61 61 GLN HE21 H 7.324 0.00 . 706 61 61 GLN HE22 H 6.785 0.00 . 707 61 61 GLN C C 176.136 0.01 . 708 61 61 GLN CA C 57.018 0.01 . 709 61 61 GLN CB C 32.000 0.02 . 710 61 61 GLN CG C 34.894 0.03 . 711 61 61 GLN N N 113.805 0.04 . 712 61 61 GLN NE2 N 111.060 0.00 . 713 62 62 THR H H 7.884 0.01 . 714 62 62 THR HA H 4.676 0.00 . 715 62 62 THR HB H 4.017 0.01 . 716 62 62 THR HG2 H 1.193 0.01 . 717 62 62 THR C C 172.225 0.00 . 718 62 62 THR CA C 59.962 0.05 . 719 62 62 THR CB C 70.064 0.06 . 720 62 62 THR CG2 C 18.894 0.03 . 721 62 62 THR N N 115.372 0.05 . 722 63 63 GLU H H 8.504 0.00 . 723 63 63 GLU HA H 5.601 0.01 . 724 63 63 GLU HB2 H 2.175 0.00 . 725 63 63 GLU HB3 H 1.773 0.01 . 726 63 63 GLU HG2 H 2.136 0.00 . 727 63 63 GLU HG3 H 1.790 0.00 . 728 63 63 GLU C C 175.196 0.00 . 729 63 63 GLU CA C 54.628 0.05 . 730 63 63 GLU CB C 33.642 0.03 . 731 63 63 GLU CG C 35.083 0.02 . 732 63 63 GLU N N 117.095 0.08 . 733 64 64 ILE H H 8.769 0.00 . 734 64 64 ILE HA H 4.473 0.01 . 735 64 64 ILE HB H 1.698 0.00 . 736 64 64 ILE HG12 H 1.483 0.00 . 737 64 64 ILE HG13 H 0.995 0.00 . 738 64 64 ILE HG2 H 0.926 0.00 . 739 64 64 ILE HD1 H 0.801 0.01 . 740 64 64 ILE C C 173.634 0.01 . 741 64 64 ILE CA C 60.806 0.06 . 742 64 64 ILE CB C 43.861 0.07 . 743 64 64 ILE CG1 C 26.338 0.00 . 744 64 64 ILE CG2 C 18.889 0.04 . 745 64 64 ILE CD1 C 14.926 0.05 . 746 64 64 ILE N N 114.643 0.06 . 747 65 65 LYS H H 9.205 0.00 . 748 65 65 LYS HA H 5.930 0.00 . 749 65 65 LYS HB2 H 2.480 0.01 . 750 65 65 LYS HB3 H 1.191 0.01 . 751 65 65 LYS HG2 H 1.272 0.01 . 752 65 65 LYS HG3 H 1.272 0.01 . 753 65 65 LYS HD2 H 1.659 0.00 . 754 65 65 LYS HD3 H 1.479 0.00 . 755 65 65 LYS HE2 H 2.852 0.00 . 756 65 65 LYS HE3 H 2.852 0.00 . 757 65 65 LYS C C 176.218 0.00 . 758 65 65 LYS CA C 55.227 0.08 . 759 65 65 LYS CB C 34.233 0.06 . 760 65 65 LYS CG C 25.303 0.02 . 761 65 65 LYS CD C 29.336 0.00 . 762 65 65 LYS N N 123.342 0.06 . 763 66 66 CYS H H 9.185 0.01 . 764 66 66 CYS HA H 5.688 0.01 . 765 66 66 CYS HB2 H 3.283 0.01 . 766 66 66 CYS HB3 H 2.415 0.00 . 767 66 66 CYS C C 174.486 0.03 . 768 66 66 CYS CA C 55.095 0.07 . 769 66 66 CYS CB C 34.054 0.08 . 770 66 66 CYS N N 118.122 0.06 . 771 67 67 THR H H 8.448 0.01 . 772 67 67 THR HA H 5.017 0.00 . 773 67 67 THR HB H 4.941 0.01 . 774 67 67 THR HG2 H 1.406 0.00 . 775 67 67 THR C C 176.885 0.00 . 776 67 67 THR CA C 62.476 0.09 . 777 67 67 THR CB C 69.722 0.07 . 778 67 67 THR CG2 C 24.425 0.05 . 779 67 67 THR N N 110.314 0.03 . 780 68 68 GLY H H 8.956 0.00 . 781 68 68 GLY HA2 H 3.396 0.01 . 782 68 68 GLY HA3 H 2.945 0.00 . 783 68 68 GLY C C 174.606 0.02 . 784 68 68 GLY CA C 47.868 0.08 . 785 69 69 ASN H H 7.451 0.01 . 786 69 69 ASN HA H 4.673 0.00 . 787 69 69 ASN HB2 H 2.759 0.00 . 788 69 69 ASN HB3 H 2.528 0.00 . 789 69 69 ASN HD21 H 7.725 0.00 . 790 69 69 ASN HD22 H 6.824 0.00 . 791 69 69 ASN C C 174.600 0.00 . 792 69 69 ASN CA C 52.291 0.07 . 793 69 69 ASN CB C 38.845 0.04 . 794 69 69 ASN N N 112.601 0.02 . 795 69 69 ASN ND2 N 113.594 0.04 . 796 70 70 HIS H H 7.453 0.01 . 797 70 70 HIS HA H 3.680 0.01 . 798 70 70 HIS HB2 H 3.387 0.01 . 799 70 70 HIS HB3 H 3.387 0.01 . 800 70 70 HIS C C 176.387 0.00 . 801 70 70 HIS CA C 59.022 0.06 . 802 70 70 HIS CB C 32.539 0.05 . 803 70 70 HIS N N 124.586 0.03 . 804 71 71 LEU H H 8.763 0.00 . 805 71 71 LEU HA H 4.668 0.00 . 806 71 71 LEU HB2 H 1.691 0.00 . 807 71 71 LEU HB3 H 1.180 0.00 . 808 71 71 LEU HG H 1.584 0.00 . 809 71 71 LEU HD1 H 0.562 0.00 . 810 71 71 LEU HD2 H 0.231 0.00 . 811 71 71 LEU C C 176.736 0.01 . 812 71 71 LEU CA C 55.287 0.02 . 813 71 71 LEU CB C 44.067 0.04 . 814 71 71 LEU CD1 C 23.593 0.06 . 815 71 71 LEU CD2 C 25.457 0.05 . 816 71 71 LEU N N 126.779 0.06 . 817 72 72 ILE H H 9.154 0.00 . 818 72 72 ILE HA H 4.635 0.01 . 819 72 72 ILE HB H 1.918 0.00 . 820 72 72 ILE HG12 H 1.498 0.00 . 821 72 72 ILE HG2 H 0.856 0.00 . 822 72 72 ILE HD1 H 0.846 0.00 . 823 72 72 ILE C C 176.280 0.00 . 824 72 72 ILE CA C 59.995 0.03 . 825 72 72 ILE CB C 40.661 0.07 . 826 72 72 ILE CG1 C 27.892 0.00 . 827 72 72 ILE CG2 C 18.954 0.06 . 828 72 72 ILE CD1 C 13.351 0.02 . 829 72 72 ILE N N 125.336 0.05 . 830 73 73 ARG H H 8.277 0.00 . 831 73 73 ARG HA H 3.436 0.00 . 832 73 73 ARG HB2 H 1.406 0.01 . 833 73 73 ARG HB3 H -0.121 0.01 . 834 73 73 ARG HG2 H 1.190 0.01 . 835 73 73 ARG HG3 H 0.260 0.01 . 836 73 73 ARG HD2 H 2.318 0.00 . 837 73 73 ARG HD3 H 0.220 0.00 . 838 73 73 ARG HE H 7.144 0.00 . 839 73 73 ARG C C 174.087 0.01 . 840 73 73 ARG CA C 54.697 0.02 . 841 73 73 ARG CB C 28.738 0.07 . 842 73 73 ARG CG C 27.785 0.00 . 843 73 73 ARG CD C 40.488 0.05 . 844 73 73 ARG N N 128.665 0.01 . 845 73 73 ARG NE N 83.526 0.04 . 846 74 74 THR H H 7.766 0.01 . 847 74 74 THR HA H 5.773 0.01 . 848 74 74 THR HB H 4.771 0.01 . 849 74 74 THR HG2 H 1.136 0.00 . 850 74 74 THR C C 177.549 0.00 . 851 74 74 THR CA C 60.513 0.06 . 852 74 74 THR CB C 73.148 0.06 . 853 74 74 THR CG2 C 21.711 0.14 . 854 74 74 THR N N 118.091 0.04 . 855 75 75 ASP H H 9.062 0.00 . 856 75 75 ASP HA H 3.993 0.01 . 857 75 75 ASP HB2 H 2.751 0.00 . 858 75 75 ASP HB3 H 2.349 0.00 . 859 75 75 ASP C C 177.130 0.01 . 860 75 75 ASP CA C 56.309 0.09 . 861 75 75 ASP CB C 39.218 0.02 . 862 75 75 ASP N N 121.250 0.03 . 863 76 76 LYS H H 7.749 0.00 . 864 76 76 LYS HA H 4.426 0.00 . 865 76 76 LYS HB2 H 1.996 0.01 . 866 76 76 LYS HB3 H 1.524 0.01 . 867 76 76 LYS HG2 H 1.402 0.01 . 868 76 76 LYS HG3 H 1.402 0.01 . 869 76 76 LYS HD2 H 1.552 0.00 . 870 76 76 LYS HD3 H 1.552 0.00 . 871 76 76 LYS HE2 H 2.946 0.00 . 872 76 76 LYS HE3 H 2.946 0.00 . 873 76 76 LYS C C 176.637 0.00 . 874 76 76 LYS CA C 55.096 0.03 . 875 76 76 LYS CB C 32.837 0.08 . 876 76 76 LYS CG C 24.774 0.05 . 877 76 76 LYS CD C 28.472 0.10 . 878 76 76 LYS CE C 42.588 0.02 . 879 76 76 LYS N N 118.163 0.03 . 880 77 77 GLY H H 7.232 0.00 . 881 77 77 GLY HA2 H 4.629 0.01 . 882 77 77 GLY HA3 H 3.336 0.01 . 883 77 77 GLY C C 175.372 0.00 . 884 77 77 GLY CA C 43.813 0.03 . 885 77 77 GLY N N 106.556 0.05 . 886 78 78 TRP H H 8.922 0.01 . 887 78 78 TRP HA H 4.849 0.01 . 888 78 78 TRP HB2 H 3.125 0.01 . 889 78 78 TRP HB3 H 2.988 0.01 . 890 78 78 TRP HD1 H 7.498 0.01 . 891 78 78 TRP HE1 H 11.305 0.01 . 892 78 78 TRP HZ2 H 7.626 0.00 . 893 78 78 TRP HH2 H 6.804 0.00 . 894 78 78 TRP C C 176.429 0.01 . 895 78 78 TRP CA C 57.746 0.08 . 896 78 78 TRP CB C 30.140 0.10 . 897 78 78 TRP CD1 C 129.673 0.02 . 898 78 78 TRP CZ2 C 114.948 0.06 . 899 78 78 TRP N N 123.834 0.03 . 900 78 78 TRP NE1 N 133.170 0.03 . 901 79 79 ILE H H 9.214 0.00 . 902 79 79 ILE HA H 4.424 0.00 . 903 79 79 ILE HB H 1.696 0.00 . 904 79 79 ILE HG12 H 1.353 0.00 . 905 79 79 ILE HG13 H 1.299 0.00 . 906 79 79 ILE HG2 H 0.868 0.00 . 907 79 79 ILE HD1 H 0.675 0.01 . 908 79 79 ILE C C 175.897 0.00 . 909 79 79 ILE CA C 58.813 0.07 . 910 79 79 ILE CB C 41.020 0.07 . 911 79 79 ILE CG1 C 27.844 0.00 . 912 79 79 ILE CG2 C 17.206 0.09 . 913 79 79 ILE CD1 C 11.369 0.02 . 914 79 79 ILE N N 127.582 0.04 . 915 80 80 LYS H H 8.313 0.01 . 916 80 80 LYS HA H 4.187 0.00 . 917 80 80 LYS HB2 H 1.946 0.01 . 918 80 80 LYS HB3 H 1.592 0.00 . 919 80 80 LYS C C 178.904 0.01 . 920 80 80 LYS CA C 57.486 0.05 . 921 80 80 LYS CB C 33.094 0.05 . 922 80 80 LYS CG C 26.003 0.00 . 923 80 80 LYS CD C 29.862 0.00 . 924 80 80 LYS CE C 42.483 0.00 . 925 80 80 LYS N N 126.430 0.05 . 926 81 81 ALA H H 8.958 0.00 . 927 81 81 ALA HA H 3.733 0.00 . 928 81 81 ALA HB H 1.298 0.00 . 929 81 81 ALA C C 178.600 0.00 . 930 81 81 ALA CA C 56.156 0.05 . 931 81 81 ALA CB C 19.664 0.05 . 932 81 81 ALA N N 126.707 0.06 . 933 82 82 ALA H H 8.173 0.00 . 934 82 82 ALA HA H 2.765 0.01 . 935 82 82 ALA HB H 0.385 0.01 . 936 82 82 ALA C C 178.765 0.01 . 937 82 82 ALA CA C 53.776 0.05 . 938 82 82 ALA CB C 17.906 0.05 . 939 82 82 ALA N N 112.039 0.03 . 940 83 83 ASN H H 8.200 0.00 . 941 83 83 ASN HA H 4.691 0.00 . 942 83 83 ASN HB2 H 2.947 0.00 . 943 83 83 ASN HB3 H 2.585 0.00 . 944 83 83 ASN HD21 H 7.330 0.00 . 945 83 83 ASN HD22 H 6.824 0.00 . 946 83 83 ASN C C 175.089 0.00 . 947 83 83 ASN CA C 52.360 0.08 . 948 83 83 ASN CB C 39.897 0.07 . 949 83 83 ASN N N 114.431 0.04 . 950 83 83 ASN ND2 N 110.017 0.00 . 951 84 84 ILE H H 7.357 0.00 . 952 84 84 ILE HA H 4.107 0.00 . 953 84 84 ILE HB H 2.219 0.00 . 954 84 84 ILE HG12 H 1.572 0.00 . 955 84 84 ILE HG13 H 1.409 0.00 . 956 84 84 ILE HG2 H 0.805 0.01 . 957 84 84 ILE HD1 H 0.628 0.00 . 958 84 84 ILE C C 175.873 0.01 . 959 84 84 ILE CA C 60.434 0.09 . 960 84 84 ILE CB C 36.025 0.05 . 961 84 84 ILE CG1 C 28.962 0.01 . 962 84 84 ILE CG2 C 19.751 0.05 . 963 84 84 ILE CD1 C 11.380 0.02 . 964 84 84 ILE N N 123.972 0.06 . 965 85 85 THR H H 7.934 0.00 . 966 85 85 THR HA H 5.015 0.00 . 967 85 85 THR HB H 4.415 0.01 . 968 85 85 THR HG2 H 1.157 0.00 . 969 85 85 THR C C 173.101 0.00 . 970 85 85 THR CA C 58.404 0.04 . 971 85 85 THR CB C 70.214 0.08 . 972 85 85 THR CG2 C 21.393 0.03 . 973 85 85 THR N N 115.324 0.09 . 974 86 86 PRO HA H 3.976 0.00 . 975 86 86 PRO HB2 H 2.302 0.01 . 976 86 86 PRO HB3 H 1.826 0.01 . 977 86 86 PRO HG2 H 2.216 0.00 . 978 86 86 PRO HG3 H 2.216 0.00 . 979 86 86 PRO HD2 H 3.780 0.00 . 980 86 86 PRO HD3 H 3.629 0.00 . 981 86 86 PRO C C 177.659 0.01 . 982 86 86 PRO CA C 64.113 0.02 . 983 86 86 PRO CB C 31.878 0.04 . 984 86 86 PRO CG C 29.037 0.07 . 985 86 86 PRO CD C 51.350 0.08 . 986 87 87 LYS H H 8.716 0.01 . 987 87 87 LYS HA H 3.958 0.01 . 988 87 87 LYS HB2 H 2.237 0.00 . 989 87 87 LYS HB3 H 1.978 0.00 . 990 87 87 LYS HG2 H 1.435 0.01 . 991 87 87 LYS HG3 H 1.435 0.01 . 992 87 87 LYS HD2 H 1.676 0.01 . 993 87 87 LYS HD3 H 1.676 0.01 . 994 87 87 LYS HE2 H 2.999 0.00 . 995 87 87 LYS HE3 H 2.999 0.00 . 996 87 87 LYS C C 178.638 0.00 . 997 87 87 LYS CA C 59.084 0.03 . 998 87 87 LYS CB C 30.596 0.03 . 999 87 87 LYS CG C 25.801 0.00 . 1000 87 87 LYS CD C 29.170 0.09 . 1001 87 87 LYS CE C 42.504 0.03 . 1002 87 87 LYS N N 115.155 0.02 . 1003 88 88 MET H H 7.442 0.01 . 1004 88 88 MET HA H 4.464 0.00 . 1005 88 88 MET HB2 H 1.968 0.00 . 1006 88 88 MET HB3 H 1.876 0.01 . 1007 88 88 MET HG2 H 3.017 0.00 . 1008 88 88 MET HG3 H 2.532 0.01 . 1009 88 88 MET HE H 2.228 0.00 . 1010 88 88 MET C C 174.727 0.00 . 1011 88 88 MET CA C 58.608 0.03 . 1012 88 88 MET CB C 34.092 0.06 . 1013 88 88 MET CG C 30.905 0.00 . 1014 88 88 MET CE C 18.084 0.05 . 1015 88 88 MET N N 118.445 0.02 . 1016 89 89 LYS H H 8.352 0.00 . 1017 89 89 LYS HA H 5.114 0.00 . 1018 89 89 LYS HB2 H 1.567 0.00 . 1019 89 89 LYS HB3 H 1.567 0.00 . 1020 89 89 LYS HG2 H 1.464 0.00 . 1021 89 89 LYS HG3 H 1.464 0.00 . 1022 89 89 LYS HE2 H 2.936 0.00 . 1023 89 89 LYS HE3 H 2.936 0.00 . 1024 89 89 LYS C C 176.145 0.01 . 1025 89 89 LYS CA C 55.028 0.03 . 1026 89 89 LYS CB C 36.023 0.03 . 1027 89 89 LYS CG C 25.394 0.01 . 1028 89 89 LYS CE C 42.971 0.06 . 1029 89 89 LYS N N 119.353 0.14 . 1030 90 90 ILE H H 9.018 0.00 . 1031 90 90 ILE HA H 4.343 0.01 . 1032 90 90 ILE HB H 1.367 0.00 . 1033 90 90 ILE HG12 H 0.722 0.00 . 1034 90 90 ILE HG13 H 0.722 0.00 . 1035 90 90 ILE HG2 H 1.065 0.01 . 1036 90 90 ILE HD1 H 0.560 0.00 . 1037 90 90 ILE C C 175.911 0.03 . 1038 90 90 ILE CA C 60.438 0.03 . 1039 90 90 ILE CB C 40.680 0.05 . 1040 90 90 ILE CG1 C 26.703 0.00 . 1041 90 90 ILE CG2 C 18.717 0.02 . 1042 90 90 ILE CD1 C 14.812 0.04 . 1043 90 90 ILE N N 120.930 0.09 . 1044 91 91 LEU H H 8.021 0.01 . 1045 91 91 LEU HA H 4.350 0.00 . 1046 91 91 LEU HB2 H 1.323 0.00 . 1047 91 91 LEU HB3 H 1.109 0.01 . 1048 91 91 LEU HG H 1.384 0.01 . 1049 91 91 LEU HD1 H 0.074 0.00 . 1050 91 91 LEU HD2 H 0.394 0.00 . 1051 91 91 LEU C C 176.585 0.01 . 1052 91 91 LEU CA C 59.318 0.04 . 1053 91 91 LEU CB C 44.446 0.02 . 1054 91 91 LEU CG C 32.218 0.03 . 1055 91 91 LEU CD1 C 24.840 0.05 . 1056 91 91 LEU CD2 C 23.440 0.04 . 1057 91 91 LEU N N 128.526 0.07 . 1058 92 92 SER H H 8.272 0.01 . 1059 92 92 SER HA H 5.194 0.00 . 1060 92 92 SER HB2 H 3.632 0.01 . 1061 92 92 SER HB3 H 3.288 0.01 . 1062 92 92 SER C C 172.915 0.00 . 1063 92 92 SER CA C 54.050 0.03 . 1064 92 92 SER CB C 66.985 0.10 . 1065 92 92 SER N N 113.408 0.06 . 1066 93 93 PRO HA H 4.111 0.00 . 1067 93 93 PRO HB2 H 0.591 0.01 . 1068 93 93 PRO HB3 H -0.522 0.01 . 1069 93 93 PRO HG2 H 1.791 0.02 . 1070 93 93 PRO HG3 H 1.249 0.01 . 1071 93 93 PRO HD2 H 3.840 0.01 . 1072 93 93 PRO HD3 H 3.020 0.00 . 1073 93 93 PRO C C 176.424 0.00 . 1074 93 93 PRO CA C 62.387 0.10 . 1075 93 93 PRO CB C 30.281 0.11 . 1076 93 93 PRO CG C 26.890 0.14 . 1077 93 93 PRO CD C 49.074 0.11 . 1078 94 94 GLU H H 8.765 0.00 . 1079 94 94 GLU HA H 4.393 0.00 . 1080 94 94 GLU HB2 H 1.797 0.00 . 1081 94 94 GLU HB3 H 1.651 0.00 . 1082 94 94 GLU HG2 H 2.047 0.00 . 1083 94 94 GLU HG3 H 1.918 0.01 . 1084 94 94 GLU C C 176.367 0.03 . 1085 94 94 GLU CA C 55.411 0.07 . 1086 94 94 GLU CB C 31.406 0.05 . 1087 94 94 GLU CG C 36.589 0.03 . 1088 94 94 GLU N N 124.325 0.06 . 1089 95 95 ILE H H 8.571 0.01 . 1090 95 95 ILE HA H 4.103 0.00 . 1091 95 95 ILE HB H 1.775 0.00 . 1092 95 95 ILE HG12 H 1.262 0.00 . 1093 95 95 ILE HG13 H 0.853 0.00 . 1094 95 95 ILE HG2 H 0.783 0.00 . 1095 95 95 ILE HD1 H 0.647 0.01 . 1096 95 95 ILE C C 175.942 0.01 . 1097 95 95 ILE CA C 62.314 0.10 . 1098 95 95 ILE CB C 38.581 0.05 . 1099 95 95 ILE CG1 C 28.010 0.03 . 1100 95 95 ILE CG2 C 17.715 0.02 . 1101 95 95 ILE CD1 C 13.543 0.04 . 1102 95 95 ILE N N 125.999 0.07 . 1103 96 96 ASP H H 8.013 0.01 . 1104 96 96 ASP HA H 4.694 0.01 . 1105 96 96 ASP HB2 H 2.812 0.00 . 1106 96 96 ASP HB3 H 2.736 0.01 . 1107 96 96 ASP C C 175.967 0.01 . 1108 96 96 ASP CA C 54.501 0.05 . 1109 96 96 ASP CB C 41.532 0.06 . 1110 96 96 ASP N N 129.010 0.08 . 1111 97 97 ALA H H 8.653 0.01 . 1112 97 97 ALA HA H 4.173 0.00 . 1113 97 97 ALA HB H 1.429 0.01 . 1114 97 97 ALA C C 178.174 0.00 . 1115 97 97 ALA CA C 55.052 0.05 . 1116 97 97 ALA CB C 18.692 0.04 . 1117 97 97 ALA N N 127.175 0.07 . 1118 98 98 ALA H H 8.036 0.00 . 1119 98 98 ALA HA H 4.507 0.01 . 1120 98 98 ALA HB H 1.368 0.00 . 1121 98 98 ALA C C 176.757 0.00 . 1122 98 98 ALA CA C 50.913 0.03 . 1123 98 98 ALA CB C 21.190 0.04 . 1124 98 98 ALA N N 119.671 0.03 . 1125 99 99 VAL H H 8.319 0.01 . 1126 99 99 VAL HA H 4.340 0.01 . 1127 99 99 VAL HB H 1.882 0.00 . 1128 99 99 VAL HG1 H 0.787 0.01 . 1129 99 99 VAL HG2 H 0.104 0.01 . 1130 99 99 VAL C C 176.576 0.00 . 1131 99 99 VAL CA C 62.967 0.05 . 1132 99 99 VAL CB C 32.381 0.04 . 1133 99 99 VAL CG1 C 21.735 0.05 . 1134 99 99 VAL CG2 C 22.551 0.04 . 1135 99 99 VAL N N 120.049 0.05 . 1136 100 100 LYS H H 8.528 0.01 . 1137 100 100 LYS HA H 4.828 0.00 . 1138 100 100 LYS HB2 H 1.860 0.00 . 1139 100 100 LYS HB3 H 1.789 0.01 . 1140 100 100 LYS HG2 H 1.450 0.00 . 1141 100 100 LYS HG3 H 1.450 0.00 . 1142 100 100 LYS HD2 H 1.669 0.00 . 1143 100 100 LYS HD3 H 1.669 0.00 . 1144 100 100 LYS HE2 H 2.949 0.00 . 1145 100 100 LYS HE3 H 2.949 0.00 . 1146 100 100 LYS C C 175.660 0.01 . 1147 100 100 LYS CA C 54.831 0.04 . 1148 100 100 LYS CB C 35.663 0.08 . 1149 100 100 LYS CG C 24.713 0.02 . 1150 100 100 LYS CD C 29.373 0.02 . 1151 100 100 LYS CE C 44.031 0.00 . 1152 100 100 LYS N N 127.307 0.06 . 1153 101 101 THR H H 8.795 0.01 . 1154 101 101 THR HA H 4.364 0.00 . 1155 101 101 THR HB H 4.106 0.01 . 1156 101 101 THR HG2 H 1.158 0.01 . 1157 101 101 THR C C 173.884 0.01 . 1158 101 101 THR CA C 64.340 0.04 . 1159 101 101 THR CB C 69.434 0.13 . 1160 101 101 THR CG2 C 24.342 0.04 . 1161 101 101 THR N N 118.800 0.05 . 1162 102 102 ALA H H 9.288 0.01 . 1163 102 102 ALA HA H 4.647 0.01 . 1164 102 102 ALA HB H 1.356 0.01 . 1165 102 102 ALA C C 175.453 0.00 . 1166 102 102 ALA CA C 50.702 0.07 . 1167 102 102 ALA CB C 22.103 0.04 . 1168 102 102 ALA N N 133.921 0.04 . 1169 103 103 LEU H H 8.008 0.00 . 1170 103 103 LEU HA H 5.173 0.01 . 1171 103 103 LEU HB2 H 1.638 0.00 . 1172 103 103 LEU HB3 H 1.056 0.00 . 1173 103 103 LEU HG H 1.504 0.00 . 1174 103 103 LEU HD1 H 0.698 0.01 . 1175 103 103 LEU HD2 H 0.808 0.00 . 1176 103 103 LEU C C 178.510 0.00 . 1177 103 103 LEU CA C 53.557 0.02 . 1178 103 103 LEU CB C 45.548 0.03 . 1179 103 103 LEU CG C 27.252 0.02 . 1180 103 103 LEU CD1 C 24.535 0.03 . 1181 103 103 LEU CD2 C 26.052 0.02 . 1182 103 103 LEU N N 116.854 0.03 . 1183 104 104 GLN H H 9.271 0.01 . 1184 104 104 GLN HA H 4.659 0.01 . 1185 104 104 GLN HB2 H 2.203 0.01 . 1186 104 104 GLN HB3 H 1.590 0.00 . 1187 104 104 GLN HG2 H 2.269 0.00 . 1188 104 104 GLN HG3 H 2.191 0.00 . 1189 104 104 GLN HE21 H 6.893 0.00 . 1190 104 104 GLN HE22 H 6.780 0.00 . 1191 104 104 GLN C C 175.941 0.00 . 1192 104 104 GLN CA C 55.351 0.02 . 1193 104 104 GLN CB C 31.422 0.05 . 1194 104 104 GLN CG C 33.910 0.06 . 1195 104 104 GLN N N 121.681 0.03 . 1196 104 104 GLN NE2 N 110.195 0.01 . 1197 105 105 ASP H H 8.674 0.00 . 1198 105 105 ASP HA H 4.919 0.00 . 1199 105 105 ASP HB2 H 2.540 0.00 . 1200 105 105 ASP HB3 H 2.411 0.01 . 1201 105 105 ASP C C 177.005 0.01 . 1202 105 105 ASP CA C 54.633 0.06 . 1203 105 105 ASP CB C 42.323 0.12 . 1204 105 105 ASP N N 122.724 0.06 . 1205 106 106 VAL H H 8.659 0.01 . 1206 106 106 VAL HA H 3.560 0.00 . 1207 106 106 VAL HB H 2.030 0.00 . 1208 106 106 VAL HG1 H 0.766 0.00 . 1209 106 106 VAL HG2 H 0.615 0.00 . 1210 106 106 VAL C C 176.470 0.00 . 1211 106 106 VAL CA C 64.924 0.06 . 1212 106 106 VAL CB C 32.585 0.04 . 1213 106 106 VAL CG1 C 23.325 0.02 . 1214 106 106 VAL CG2 C 22.019 0.01 . 1215 106 106 VAL N N 120.920 0.05 . 1216 107 107 GLU H H 9.690 0.01 . 1217 107 107 GLU HA H 4.232 0.00 . 1218 107 107 GLU HB2 H 1.552 0.00 . 1219 107 107 GLU HB3 H 0.925 0.00 . 1220 107 107 GLU HG2 H 1.951 0.00 . 1221 107 107 GLU HG3 H 1.876 0.00 . 1222 107 107 GLU C C 176.579 0.02 . 1223 107 107 GLU CA C 57.915 0.04 . 1224 107 107 GLU CB C 31.782 0.05 . 1225 107 107 GLU CG C 36.194 0.02 . 1226 107 107 GLU N N 130.481 0.06 . 1227 108 108 SER H H 7.957 0.00 . 1228 108 108 SER HA H 4.606 0.00 . 1229 108 108 SER HB2 H 3.793 0.00 . 1230 108 108 SER HB3 H 3.723 0.00 . 1231 108 108 SER C C 171.737 0.00 . 1232 108 108 SER CA C 58.024 0.07 . 1233 108 108 SER CB C 65.854 0.09 . 1234 108 108 SER N N 110.119 0.04 . 1235 109 109 ILE H H 8.365 0.00 . 1236 109 109 ILE HA H 5.410 0.00 . 1237 109 109 ILE HB H 1.752 0.01 . 1238 109 109 ILE HG12 H 1.486 0.01 . 1239 109 109 ILE HG13 H 1.254 0.00 . 1240 109 109 ILE HG2 H 1.002 0.00 . 1241 109 109 ILE HD1 H 0.875 0.00 . 1242 109 109 ILE C C 175.651 0.00 . 1243 109 109 ILE CA C 59.842 0.10 . 1244 109 109 ILE CB C 42.151 0.05 . 1245 109 109 ILE CG1 C 29.018 0.00 . 1246 109 109 ILE CG2 C 18.240 0.03 . 1247 109 109 ILE CD1 C 16.646 0.02 . 1248 109 109 ILE N N 118.170 0.05 . 1249 110 110 GLU H H 8.757 0.00 . 1250 110 110 GLU HA H 4.699 0.01 . 1251 110 110 GLU HB2 H 2.102 0.00 . 1252 110 110 GLU HB3 H 1.900 0.00 . 1253 110 110 GLU HG2 H 2.099 0.00 . 1254 110 110 GLU HG3 H 2.099 0.00 . 1255 110 110 GLU C C 174.646 0.00 . 1256 110 110 GLU CA C 54.995 0.09 . 1257 110 110 GLU CB C 34.702 0.04 . 1258 110 110 GLU CG C 36.177 0.00 . 1259 110 110 GLU N N 123.847 0.06 . 1260 111 111 LYS H H 8.650 0.01 . 1261 111 111 LYS HA H 3.276 0.00 . 1262 111 111 LYS HB2 H 1.290 0.00 . 1263 111 111 LYS HB3 H 1.290 0.00 . 1264 111 111 LYS HG2 H 0.636 0.01 . 1265 111 111 LYS HG3 H 0.065 0.01 . 1266 111 111 LYS HD2 H 1.247 0.00 . 1267 111 111 LYS HD3 H 1.179 0.01 . 1268 111 111 LYS HE2 H 2.627 0.01 . 1269 111 111 LYS HE3 H 2.627 0.01 . 1270 111 111 LYS C C 176.759 0.00 . 1271 111 111 LYS CA C 57.868 0.10 . 1272 111 111 LYS CB C 32.407 0.05 . 1273 111 111 LYS CG C 24.504 0.04 . 1274 111 111 LYS CD C 28.988 0.08 . 1275 111 111 LYS CE C 42.279 0.07 . 1276 111 111 LYS N N 126.895 0.06 . 1277 112 112 LEU H H 8.362 0.00 . 1278 112 112 LEU HA H 4.461 0.00 . 1279 112 112 LEU HB2 H 1.624 0.00 . 1280 112 112 LEU HB3 H 1.348 0.01 . 1281 112 112 LEU HD1 H 0.687 0.01 . 1282 112 112 LEU HD2 H 0.744 0.00 . 1283 112 112 LEU C C 177.564 0.00 . 1284 112 112 LEU CA C 54.324 0.07 . 1285 112 112 LEU CB C 42.949 0.04 . 1286 112 112 LEU CG C 26.727 0.00 . 1287 112 112 LEU CD1 C 23.062 0.04 . 1288 112 112 LEU CD2 C 25.627 0.00 . 1289 112 112 LEU N N 127.365 0.06 . 1290 113 113 GLY H H 7.396 0.00 . 1291 113 113 GLY HA2 H 4.148 0.00 . 1292 113 113 GLY HA3 H 4.009 0.01 . 1293 113 113 GLY C C 175.132 0.01 . 1294 113 113 GLY CA C 44.333 0.03 . 1295 113 113 GLY N N 106.850 0.08 . 1296 114 114 VAL H H 8.238 0.01 . 1297 114 114 VAL HA H 4.593 0.01 . 1298 114 114 VAL HB H 1.710 0.00 . 1299 114 114 VAL HG1 H 0.721 0.01 . 1300 114 114 VAL HG2 H 0.713 0.01 . 1301 114 114 VAL C C 177.084 0.00 . 1302 114 114 VAL CA C 61.435 0.05 . 1303 114 114 VAL CB C 32.817 0.03 . 1304 114 114 VAL CG1 C 18.895 0.13 . 1305 114 114 VAL CG2 C 21.838 0.08 . 1306 114 114 VAL N N 116.871 0.03 . 1307 115 115 ASN H H 8.602 0.01 . 1308 115 115 ASN HA H 4.909 0.00 . 1309 115 115 ASN HB2 H 2.491 0.01 . 1310 115 115 ASN HB3 H 2.300 0.01 . 1311 115 115 ASN HD21 H 7.387 0.00 . 1312 115 115 ASN HD22 H 6.893 0.00 . 1313 115 115 ASN C C 173.706 0.01 . 1314 115 115 ASN CA C 52.723 0.02 . 1315 115 115 ASN CB C 45.360 0.05 . 1316 115 115 ASN N N 119.953 0.08 . 1317 115 115 ASN ND2 N 112.576 0.01 . 1318 116 116 HIS H H 9.210 0.01 . 1319 116 116 HIS HA H 4.735 0.00 . 1320 116 116 HIS HB2 H 3.310 0.00 . 1321 116 116 HIS HB3 H 3.021 0.00 . 1322 116 116 HIS C C 175.983 0.02 . 1323 116 116 HIS CA C 55.292 0.04 . 1324 116 116 HIS CB C 28.915 0.04 . 1325 116 116 HIS N N 121.636 0.07 . 1326 117 117 VAL H H 9.038 0.01 . 1327 117 117 VAL HA H 5.171 0.00 . 1328 117 117 VAL HB H 2.052 0.01 . 1329 117 117 VAL HG1 H 0.341 0.01 . 1330 117 117 VAL HG2 H 0.451 0.01 . 1331 117 117 VAL C C 174.976 0.00 . 1332 117 117 VAL CA C 60.160 0.08 . 1333 117 117 VAL CB C 35.672 0.19 . 1334 117 117 VAL CG1 C 20.106 0.05 . 1335 117 117 VAL CG2 C 22.058 0.05 . 1336 117 117 VAL N N 121.129 0.07 . 1337 118 118 TYR H H 9.361 0.01 . 1338 118 118 TYR HA H 4.712 0.01 . 1339 118 118 TYR HB2 H 2.847 0.01 . 1340 118 118 TYR HB3 H 2.440 0.00 . 1341 118 118 TYR HD1 H 6.891 0.01 . 1342 118 118 TYR HD2 H 6.895 0.01 . 1343 118 118 TYR HE1 H 6.611 0.00 . 1344 118 118 TYR C C 174.121 0.00 . 1345 118 118 TYR CA C 58.452 0.06 . 1346 118 118 TYR CB C 45.589 0.09 . 1347 118 118 TYR CD1 C 134.212 0.13 . 1348 118 118 TYR CD2 C 134.318 0.01 . 1349 118 118 TYR N N 116.208 0.03 . 1350 119 119 ASP H H 9.018 0.01 . 1351 119 119 ASP HA H 5.263 0.00 . 1352 119 119 ASP HB2 H 3.284 0.00 . 1353 119 119 ASP HB3 H 2.383 0.00 . 1354 119 119 ASP C C 173.484 0.02 . 1355 119 119 ASP CA C 52.357 0.05 . 1356 119 119 ASP CB C 43.743 0.05 . 1357 119 119 ASP N N 115.963 0.07 . 1358 120 120 ILE H H 7.010 0.01 . 1359 120 120 ILE HA H 4.959 0.01 . 1360 120 120 ILE HB H 1.590 0.00 . 1361 120 120 ILE HG12 H 0.754 0.00 . 1362 120 120 ILE HG13 H -0.046 0.00 . 1363 120 120 ILE HG2 H 1.003 0.01 . 1364 120 120 ILE HD1 H 0.153 0.01 . 1365 120 120 ILE C C 173.188 0.01 . 1366 120 120 ILE CA C 59.293 0.12 . 1367 120 120 ILE CB C 42.194 0.10 . 1368 120 120 ILE CG1 C 24.650 0.00 . 1369 120 120 ILE CG2 C 20.212 0.13 . 1370 120 120 ILE CD1 C 15.016 0.06 . 1371 120 120 ILE N N 109.417 0.09 . 1372 121 121 GLU H H 8.075 0.00 . 1373 121 121 GLU HA H 4.593 0.01 . 1374 121 121 GLU HB2 H 1.912 0.00 . 1375 121 121 GLU HB3 H 1.634 0.01 . 1376 121 121 GLU HG2 H 2.219 0.00 . 1377 121 121 GLU HG3 H 1.974 0.01 . 1378 121 121 GLU C C 176.722 0.01 . 1379 121 121 GLU CA C 54.561 0.04 . 1380 121 121 GLU CB C 33.146 0.10 . 1381 121 121 GLU CG C 37.141 0.03 . 1382 121 121 GLU N N 118.116 0.05 . 1383 122 122 VAL H H 7.928 0.01 . 1384 122 122 VAL HA H 4.335 0.00 . 1385 122 122 VAL HB H 1.559 0.01 . 1386 122 122 VAL HG1 H 0.912 0.00 . 1387 122 122 VAL HG2 H 1.138 0.00 . 1388 122 122 VAL C C 175.675 0.00 . 1389 122 122 VAL CA C 62.766 0.04 . 1390 122 122 VAL CB C 36.150 0.07 . 1391 122 122 VAL CG1 C 23.290 0.03 . 1392 122 122 VAL CG2 C 20.666 0.03 . 1393 122 122 VAL N N 128.045 0.08 . 1394 123 123 GLU H H 8.539 0.00 . 1395 123 123 GLU HA H 3.545 0.01 . 1396 123 123 GLU HB2 H 2.053 0.01 . 1397 123 123 GLU HB3 H 1.796 0.00 . 1398 123 123 GLU HG2 H 1.966 0.00 . 1399 123 123 GLU HG3 H 1.509 0.01 . 1400 123 123 GLU C C 177.874 0.00 . 1401 123 123 GLU CA C 58.888 0.03 . 1402 123 123 GLU CB C 30.625 0.05 . 1403 123 123 GLU CG C 36.660 0.02 . 1404 123 123 GLU N N 128.725 0.09 . 1405 124 124 HIS H H 8.556 0.01 . 1406 124 124 HIS HA H 4.023 0.01 . 1407 124 124 HIS HB2 H 3.290 0.01 . 1408 124 124 HIS HB3 H 3.069 0.01 . 1409 124 124 HIS C C 176.895 0.01 . 1410 124 124 HIS CA C 62.126 0.07 . 1411 124 124 HIS CB C 29.143 0.06 . 1412 124 124 HIS N N 115.988 0.04 . 1413 125 125 ASN H H 9.388 0.00 . 1414 125 125 ASN HA H 4.766 0.00 . 1415 125 125 ASN HB2 H 3.003 0.01 . 1416 125 125 ASN HB3 H 2.118 0.01 . 1417 125 125 ASN C C 176.183 0.01 . 1418 125 125 ASN CA C 53.974 0.04 . 1419 125 125 ASN CB C 40.034 0.06 . 1420 125 125 ASN N N 119.509 0.04 . 1421 126 126 HIS H H 6.853 0.00 . 1422 126 126 HIS HA H 4.418 0.01 . 1423 126 126 HIS HB2 H 3.067 0.01 . 1424 126 126 HIS HB3 H 3.067 0.01 . 1425 126 126 HIS C C 172.385 0.00 . 1426 126 126 HIS CA C 57.543 0.03 . 1427 126 126 HIS CB C 26.906 0.04 . 1428 126 126 HIS N N 108.860 0.07 . 1429 127 127 ASN H H 7.146 0.01 . 1430 127 127 ASN HA H 4.714 0.00 . 1431 127 127 ASN HB2 H 3.373 0.00 . 1432 127 127 ASN HB3 H 2.598 0.00 . 1433 127 127 ASN C C 170.915 0.01 . 1434 127 127 ASN CA C 52.658 0.05 . 1435 127 127 ASN CB C 41.416 0.15 . 1436 127 127 ASN N N 110.341 0.08 . 1437 128 128 PHE H H 8.628 0.00 . 1438 128 128 PHE HA H 5.433 0.01 . 1439 128 128 PHE HB2 H 3.555 0.01 . 1440 128 128 PHE HB3 H 3.226 0.01 . 1441 128 128 PHE HD1 H 6.805 0.00 . 1442 128 128 PHE HD2 H 6.810 0.00 . 1443 128 128 PHE HE1 H 7.204 0.01 . 1444 128 128 PHE HE2 H 7.202 0.00 . 1445 128 128 PHE C C 172.964 0.00 . 1446 128 128 PHE CA C 56.966 0.05 . 1447 128 128 PHE CB C 38.187 0.06 . 1448 128 128 PHE CD1 C 132.059 0.07 . 1449 128 128 PHE CD2 C 132.174 0.00 . 1450 128 128 PHE CE1 C 131.510 0.11 . 1451 128 128 PHE CE2 C 131.562 0.00 . 1452 128 128 PHE N N 108.890 0.07 . 1453 129 129 VAL H H 9.346 0.01 . 1454 129 129 VAL HA H 4.780 0.00 . 1455 129 129 VAL HB H 2.374 0.01 . 1456 129 129 VAL HG1 H 0.881 0.01 . 1457 129 129 VAL HG2 H 0.872 0.01 . 1458 129 129 VAL C C 174.741 0.00 . 1459 129 129 VAL CA C 61.991 0.04 . 1460 129 129 VAL CB C 32.464 0.05 . 1461 129 129 VAL CG1 C 22.503 0.07 . 1462 129 129 VAL CG2 C 21.816 0.04 . 1463 129 129 VAL N N 119.633 0.09 . 1464 130 130 ALA H H 9.282 0.00 . 1465 130 130 ALA HA H 5.833 0.01 . 1466 130 130 ALA HB H 1.308 0.00 . 1467 130 130 ALA C C 178.153 0.01 . 1468 130 130 ALA CA C 49.476 0.05 . 1469 130 130 ALA CB C 22.555 0.09 . 1470 130 130 ALA N N 129.592 0.05 . 1471 131 131 ASN H H 10.959 0.01 . 1472 131 131 ASN HA H 4.159 0.01 . 1473 131 131 ASN HB2 H 3.262 0.01 . 1474 131 131 ASN HB3 H 3.091 0.01 . 1475 131 131 ASN HD21 H 8.069 0.01 . 1476 131 131 ASN HD22 H 7.106 0.02 . 1477 131 131 ASN C C 175.311 0.01 . 1478 131 131 ASN CA C 53.989 0.04 . 1479 131 131 ASN CB C 36.885 0.04 . 1480 131 131 ASN N N 120.174 0.04 . 1481 131 131 ASN ND2 N 111.466 0.00 . 1482 132 132 GLY H H 6.583 0.01 . 1483 132 132 GLY HA2 H 4.513 0.01 . 1484 132 132 GLY HA3 H 3.570 0.01 . 1485 132 132 GLY C C 173.051 0.00 . 1486 132 132 GLY CA C 45.653 0.08 . 1487 132 132 GLY N N 97.655 0.04 . 1488 133 133 LEU H H 8.266 0.00 . 1489 133 133 LEU HA H 4.939 0.00 . 1490 133 133 LEU HB2 H 2.028 0.01 . 1491 133 133 LEU HB3 H 1.223 0.00 . 1492 133 133 LEU HG H 1.548 0.00 . 1493 133 133 LEU HD1 H 0.529 0.01 . 1494 133 133 LEU HD2 H 0.679 0.00 . 1495 133 133 LEU C C 175.823 0.00 . 1496 133 133 LEU CA C 53.590 0.02 . 1497 133 133 LEU CB C 42.611 0.04 . 1498 133 133 LEU CG C 26.447 0.05 . 1499 133 133 LEU CD1 C 20.974 0.03 . 1500 133 133 LEU CD2 C 25.103 0.00 . 1501 133 133 LEU N N 120.975 0.03 . 1502 134 134 LEU H H 7.891 0.00 . 1503 134 134 LEU HA H 4.795 0.01 . 1504 134 134 LEU HB2 H 1.894 0.00 . 1505 134 134 LEU HB3 H 1.011 0.00 . 1506 134 134 LEU HG H 1.364 0.00 . 1507 134 134 LEU HD1 H 0.144 0.01 . 1508 134 134 LEU HD2 H 0.959 0.01 . 1509 134 134 LEU C C 174.406 0.01 . 1510 134 134 LEU CA C 56.100 0.02 . 1511 134 134 LEU CB C 43.024 0.07 . 1512 134 134 LEU CD1 C 27.681 0.10 . 1513 134 134 LEU CD2 C 22.488 0.12 . 1514 134 134 LEU N N 123.398 0.05 . 1515 135 135 VAL H H 9.000 0.00 . 1516 135 135 VAL HA H 5.410 0.01 . 1517 135 135 VAL HB H 2.282 0.00 . 1518 135 135 VAL HG1 H 0.160 0.00 . 1519 135 135 VAL HG2 H 0.890 0.01 . 1520 135 135 VAL C C 173.897 0.01 . 1521 135 135 VAL CA C 58.883 0.17 . 1522 135 135 VAL CB C 35.237 0.03 . 1523 135 135 VAL CG1 C 19.483 0.04 . 1524 135 135 VAL CG2 C 21.283 0.00 . 1525 135 135 VAL N N 119.553 0.09 . 1526 136 136 HIS H H 8.584 0.01 . 1527 136 136 HIS HA H 4.387 0.00 . 1528 136 136 HIS HB2 H 2.992 0.01 . 1529 136 136 HIS HB3 H 2.304 0.00 . 1530 136 136 HIS C C 175.521 0.02 . 1531 136 136 HIS CA C 55.650 0.07 . 1532 136 136 HIS CB C 31.142 0.05 . 1533 136 136 HIS N N 120.144 0.12 . 1534 137 137 ASN H H 8.347 0.00 . 1535 137 137 ASN HA H 5.066 0.00 . 1536 137 137 ASN HB2 H 3.972 0.01 . 1537 137 137 ASN HB3 H 2.719 0.01 . 1538 137 137 ASN C C 181.333 0.00 . 1539 137 137 ASN CA C 56.444 0.05 . 1540 137 137 ASN CB C 41.685 0.02 . 1541 137 137 ASN N N 126.828 0.06 . stop_ save_