data_26979 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Wild type fused Npu DnaE from Nostoc punctiforme with Phe +2 Extein ; _BMRB_accession_number 26979 _BMRB_flat_file_name bmr26979.str _Entry_type original _Submission_date 2016-12-21 _Accession_date 2016-12-21 _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 Sekar Giridhar . . 2 Cowburn David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 145 "13C chemical shifts" 417 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26980 'Wild type fused Npu DnaE from Nostoc punctiforme with Gly +2 Extein' 26981 'Fused Npu DnaE GEP loop mutant from Nostoc punctiforme with Phe +2 Extein' 26984 'Fused Npu DnaE GEP loop mutant from Nostoc punctiforme with Phe +2 Extein' stop_ _Original_release_date 2016-12-28 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A promiscuous split intein with expanded protein engineering applications ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28739907 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stevens Adam J. . 2 Sekar Giridhar . . 3 Shah Neel H. . 4 Mostafavi Ana . . 5 Cowburn David . . 6 Muir Tom W. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 114 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8538 _Page_last 8543 _Year 2017 _Details . loop_ _Keyword DnaE Extein 'Nostoc punctiforme' Npu 'Split Intein' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Iwai _Saveframe_category citation _Citation_full . _Citation_title ; NMR resonance assignment of DnaE intein from Nostoc punctiforme. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636943 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kimmo Heinamaki . . 2 Jesper Oeemig . . 3 Janica Djupsjobacka . . 4 Hideo Iwai . . stop_ _Journal_abbreviation 'Biomol NMR Assign.' _Journal_name_full . _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 41 _Page_last 43 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Wild type fused Npu DnaE from Nostoc punctiforme with Phe +2 Extein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Wild type fused Npu DnaE' $Npu_DnaE stop_ _System_molecular_weight 16610.7728 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Npu_DnaE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Npu_DnaE _Molecular_mass 16610.7728 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; AEYALSYETEILTVEYGLLP IGKIVEKRIECTVYSVDNNG NIYTQPVAQWHDRGEQEVFE YCLEDGSLIRATKDHKFMTV DGQMLPIDEIFERELDLMRV DNLPNMIKIATRKYLGKQNV YDIGVERDHNFALKNGFIAS ACFN ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 TYR 4 ALA 5 LEU 6 SER 7 TYR 8 GLU 9 THR 10 GLU 11 ILE 12 LEU 13 THR 14 VAL 15 GLU 16 TYR 17 GLY 18 LEU 19 LEU 20 PRO 21 ILE 22 GLY 23 LYS 24 ILE 25 VAL 26 GLU 27 LYS 28 ARG 29 ILE 30 GLU 31 CYS 32 THR 33 VAL 34 TYR 35 SER 36 VAL 37 ASP 38 ASN 39 ASN 40 GLY 41 ASN 42 ILE 43 TYR 44 THR 45 GLN 46 PRO 47 VAL 48 ALA 49 GLN 50 TRP 51 HIS 52 ASP 53 ARG 54 GLY 55 GLU 56 GLN 57 GLU 58 VAL 59 PHE 60 GLU 61 TYR 62 CYS 63 LEU 64 GLU 65 ASP 66 GLY 67 SER 68 LEU 69 ILE 70 ARG 71 ALA 72 THR 73 LYS 74 ASP 75 HIS 76 LYS 77 PHE 78 MET 79 THR 80 VAL 81 ASP 82 GLY 83 GLN 84 MET 85 LEU 86 PRO 87 ILE 88 ASP 89 GLU 90 ILE 91 PHE 92 GLU 93 ARG 94 GLU 95 LEU 96 ASP 97 LEU 98 MET 99 ARG 100 VAL 101 ASP 102 ASN 103 LEU 104 PRO 105 ASN 106 MET 107 ILE 108 LYS 109 ILE 110 ALA 111 THR 112 ARG 113 LYS 114 TYR 115 LEU 116 GLY 117 LYS 118 GLN 119 ASN 120 VAL 121 TYR 122 ASP 123 ILE 124 GLY 125 VAL 126 GLU 127 ARG 128 ASP 129 HIS 130 ASN 131 PHE 132 ALA 133 LEU 134 LYS 135 ASN 136 GLY 137 PHE 138 ILE 139 ALA 140 SER 141 ALA 142 CYS 143 PHE 144 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $Npu_DnaE 'Nostoc punctiforme' 272131 Bacteria . Nostoc punctiforme 'Fused Npu DnaE construct' 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 $Npu_DnaE 'recombinant technology' . Escherichia coli . pET 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' TCEP 2 mM 'natural abundance' $Npu_DnaE 400 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_CondSet1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details 'Origin xeasy file /home/gsekar/nmr_assignments/aey_npufus_cfn_1/ccpnmr/cgn.prot.' loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $CondSet1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Wild type fused Npu DnaE' _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 ALA CA C 52.133 0.002 1 2 1 1 ALA CB C 19.397 0.246 1 3 2 2 GLU H H 8.493 0.005 1 4 2 2 GLU C C 174.861 0.054 1 5 2 2 GLU CA C 55.796 0.108 1 6 2 2 GLU CB C 30.859 0.1 1 7 2 2 GLU N N 119.545 0.082 1 8 3 3 TYR H H 7.655 0.006 1 9 3 3 TYR CA C 55.596 . 1 10 3 3 TYR CB C 38.159 . 1 11 3 3 TYR N N 120.127 0.013 1 12 4 4 ALA C C 174.961 0.003 1 13 4 4 ALA CA C 53.151 0.047 1 14 4 4 ALA CB C 23.653 0.135 1 15 5 5 LEU H H 9.520 0.01 1 16 5 5 LEU C C 176.633 0.014 1 17 5 5 LEU CA C 53.978 0.1 1 18 5 5 LEU CB C 46.293 0.061 1 19 5 5 LEU N N 119.562 0.029 1 20 6 6 SER H H 7.858 0.006 1 21 6 6 SER C C 174.996 0.011 1 22 6 6 SER CA C 59.888 0.048 1 23 6 6 SER CB C 64.169 0.073 1 24 6 6 SER N N 113.672 0.027 1 25 7 7 TYR H H 9.451 0.007 1 26 7 7 TYR C C 175.959 0.001 1 27 7 7 TYR CA C 62.689 0.037 1 28 7 7 TYR CB C 40.714 0.077 1 29 7 7 TYR N N 121.174 0.022 1 30 8 8 GLU H H 9.328 0.006 1 31 8 8 GLU C C 176.137 0.023 1 32 8 8 GLU CA C 57.212 0.043 1 33 8 8 GLU CB C 28.473 0.061 1 34 8 8 GLU N N 112.216 0.025 1 35 9 9 THR H H 8.010 0.007 1 36 9 9 THR C C 173.927 0.007 1 37 9 9 THR CA C 65.545 0.013 1 38 9 9 THR CB C 68.863 0.037 1 39 9 9 THR N N 120.604 0.032 1 40 10 10 GLU H H 9.232 0.007 1 41 10 10 GLU C C 175.072 0.007 1 42 10 10 GLU CA C 57.014 0.029 1 43 10 10 GLU CB C 31.939 0.083 1 44 10 10 GLU N N 129.944 0.051 1 45 11 11 ILE H H 8.992 0.007 1 46 11 11 ILE C C 175.442 0.019 1 47 11 11 ILE CA C 59.095 0.018 1 48 11 11 ILE CB C 39.742 0.019 1 49 11 11 ILE N N 122.984 0.031 1 50 12 12 LEU H H 7.244 0.006 1 51 12 12 LEU C C 175.470 0.008 1 52 12 12 LEU CA C 56.329 0.019 1 53 12 12 LEU CB C 42.537 0.049 1 54 12 12 LEU N N 124.864 0.058 1 55 13 13 THR H H 7.719 0.006 1 56 13 13 THR C C 176.233 0.004 1 57 13 13 THR CA C 59.528 0.008 1 58 13 13 THR CB C 73.630 0.041 1 59 13 13 THR N N 116.131 0.018 1 60 14 14 VAL H H 8.951 0.007 1 61 14 14 VAL C C 179.094 0.006 1 62 14 14 VAL CA C 66.084 0.003 1 63 14 14 VAL CB C 33.282 0.04 1 64 14 14 VAL N N 125.034 0.045 1 65 15 15 GLU H H 10.056 0.007 1 66 15 15 GLU C C 178.512 0.011 1 67 15 15 GLU CA C 60.628 0.02 1 68 15 15 GLU CB C 28.285 0.061 1 69 15 15 GLU N N 116.320 0.019 1 70 16 16 TYR H H 7.471 0.008 1 71 16 16 TYR C C 176.075 0.005 1 72 16 16 TYR CA C 56.400 0.033 1 73 16 16 TYR CB C 40.538 0.056 1 74 16 16 TYR N N 111.577 0.054 1 75 17 17 GLY H H 7.265 0.006 1 76 17 17 GLY C C 176.153 0.011 1 77 17 17 GLY CA C 45.419 0.014 1 78 17 17 GLY N N 108.883 0.065 1 79 18 18 LEU H H 8.797 0.007 1 80 18 18 LEU C C 177.449 0.007 1 81 18 18 LEU CA C 55.664 0.027 1 82 18 18 LEU CB C 42.564 0.048 1 83 18 18 LEU N N 127.004 0.045 1 84 19 19 LEU H H 8.794 0.007 1 85 19 19 LEU C C 174.119 . 1 86 19 19 LEU CA C 51.714 . 1 87 19 19 LEU CB C 47.345 . 1 88 19 19 LEU N N 124.368 0.034 1 89 20 20 PRO C C 178.536 0.011 1 90 20 20 PRO CA C 62.345 0.0 1 91 20 20 PRO CB C 32.408 0.07 1 92 21 21 ILE H H 9.611 0.007 1 93 21 21 ILE C C 175.729 0.013 1 94 21 21 ILE CA C 64.907 0.016 1 95 21 21 ILE CB C 37.961 0.021 1 96 21 21 ILE N N 127.997 0.022 1 97 22 22 GLY H H 8.831 0.007 1 98 22 22 GLY C C 174.726 0.003 1 99 22 22 GLY CA C 45.434 0.02 1 100 22 22 GLY N N 109.384 0.027 1 101 23 23 LYS H H 6.188 0.007 1 102 23 23 LYS C C 178.076 0.007 1 103 23 23 LYS CA C 58.782 0.054 1 104 23 23 LYS CB C 33.246 0.066 1 105 23 23 LYS N N 119.006 0.012 1 106 24 24 ILE H H 7.324 0.006 1 107 24 24 ILE C C 178.072 0.006 1 108 24 24 ILE CA C 65.695 0.034 1 109 24 24 ILE CB C 38.436 0.027 1 110 24 24 ILE N N 116.992 0.023 1 111 25 25 VAL H H 8.216 0.007 1 112 25 25 VAL C C 178.704 0.016 1 113 25 25 VAL CA C 67.768 0.023 1 114 25 25 VAL CB C 31.718 0.025 1 115 25 25 VAL N N 115.391 0.046 1 116 26 26 GLU H H 8.804 0.005 1 117 26 26 GLU C C 178.833 0.016 1 118 26 26 GLU CA C 60.409 0.031 1 119 26 26 GLU CB C 29.987 0.041 1 120 26 26 GLU N N 120.366 0.027 1 121 27 27 LYS H H 7.673 0.007 1 122 27 27 LYS C C 174.709 0.003 1 123 27 27 LYS CA C 54.771 0.012 1 124 27 27 LYS CB C 31.627 0.06 1 125 27 27 LYS N N 113.316 0.031 1 126 28 28 ARG H H 7.499 0.006 1 127 28 28 ARG C C 174.598 0.016 1 128 28 28 ARG CA C 56.004 0.018 1 129 28 28 ARG CB C 27.520 0.192 1 130 28 28 ARG N N 123.840 0.034 1 131 29 29 ILE H H 8.481 0.007 1 132 29 29 ILE C C 177.005 0.002 1 133 29 29 ILE CA C 63.448 0.017 1 134 29 29 ILE CB C 38.895 0.011 1 135 29 29 ILE N N 118.062 0.013 1 136 30 30 GLU H H 8.508 0.007 1 137 30 30 GLU C C 175.532 0.011 1 138 30 30 GLU CA C 56.349 0.083 1 139 30 30 GLU CB C 28.932 0.055 1 140 30 30 GLU N N 129.206 0.022 1 141 31 31 CYS H H 8.225 0.006 1 142 31 31 CYS C C 171.521 0.0 1 143 31 31 CYS CA C 56.000 0.026 1 144 31 31 CYS CB C 30.324 0.091 1 145 31 31 CYS N N 119.015 0.015 1 146 32 32 THR H H 10.792 0.007 1 147 32 32 THR C C 174.130 0.01 1 148 32 32 THR CA C 63.089 0.028 1 149 32 32 THR CB C 68.329 0.04 1 150 32 32 THR N N 121.748 0.019 1 151 33 33 VAL H H 8.743 0.007 1 152 33 33 VAL C C 173.672 0.006 1 153 33 33 VAL CA C 59.124 0.049 1 154 33 33 VAL CB C 33.202 0.039 1 155 33 33 VAL N N 119.492 0.03 1 156 34 34 TYR H H 8.998 0.007 1 157 34 34 TYR C C 175.004 0.003 1 158 34 34 TYR CA C 57.448 0.014 1 159 34 34 TYR CB C 40.336 0.099 1 160 34 34 TYR N N 117.521 0.021 1 161 35 35 SER H H 8.734 0.007 1 162 35 35 SER C C 170.903 0.005 1 163 35 35 SER CA C 56.968 0.023 1 164 35 35 SER CB C 66.852 0.063 1 165 35 35 SER N N 116.040 0.02 1 166 36 36 VAL H H 9.145 0.006 1 167 36 36 VAL C C 176.617 0.007 1 168 36 36 VAL CA C 59.438 0.008 1 169 36 36 VAL CB C 35.302 0.033 1 170 36 36 VAL N N 117.712 0.015 1 171 37 37 ASP H H 8.636 0.006 1 172 37 37 ASP C C 178.258 0.012 1 173 37 37 ASP CA C 52.316 0.039 1 174 37 37 ASP CB C 41.985 0.036 1 175 37 37 ASP N N 124.313 0.03 1 176 38 38 ASN H H 8.731 0.006 1 177 38 38 ASN HD22 H 6.794 . 1 178 38 38 ASN C C 175.849 0.008 1 179 38 38 ASN CA C 55.364 0.063 1 180 38 38 ASN CB C 38.128 0.033 1 181 38 38 ASN N N 115.187 0.029 1 182 38 38 ASN ND2 N 111.631 . 1 183 39 39 ASN H H 8.409 0.006 1 184 39 39 ASN HD22 H 6.851 . 1 185 39 39 ASN C C 175.316 0.007 1 186 39 39 ASN CA C 53.039 0.017 1 187 39 39 ASN CB C 40.275 0.06 1 188 39 39 ASN N N 117.024 0.027 1 189 39 39 ASN ND2 N 113.485 . 1 190 40 40 GLY H H 8.114 0.007 1 191 40 40 GLY C C 174.019 0.006 1 192 40 40 GLY CA C 45.794 0.022 1 193 40 40 GLY N N 108.285 0.048 1 194 41 41 ASN H H 8.602 0.006 1 195 41 41 ASN HD21 H 8.400 . 1 196 41 41 ASN HD22 H 7.124 . 1 197 41 41 ASN C C 174.299 0.005 1 198 41 41 ASN CA C 53.465 0.032 1 199 41 41 ASN CB C 39.284 0.066 1 200 41 41 ASN N N 120.032 0.008 1 201 41 41 ASN ND2 N 117.553 0.001 1 202 42 42 ILE H H 8.427 0.006 1 203 42 42 ILE C C 176.402 0.003 1 204 42 42 ILE CA C 60.276 0.029 1 205 42 42 ILE CB C 39.191 0.01 1 206 42 42 ILE N N 123.439 0.076 1 207 43 43 TYR H H 9.318 0.007 1 208 43 43 TYR C C 172.205 0.004 1 209 43 43 TYR CA C 55.859 0.012 1 210 43 43 TYR CB C 40.061 0.042 1 211 43 43 TYR N N 127.398 0.057 1 212 44 44 THR H H 7.890 0.007 1 213 44 44 THR C C 174.991 0.004 1 214 44 44 THR CA C 58.400 0.024 1 215 44 44 THR CB C 70.956 0.051 1 216 44 44 THR N N 107.151 0.059 1 217 45 45 GLN H H 8.778 0.007 1 218 45 45 GLN C C 171.502 . 1 219 45 45 GLN CA C 54.061 . 1 220 45 45 GLN CB C 30.079 . 1 221 45 45 GLN N N 117.006 0.027 1 222 46 46 PRO C C 177.383 0.008 1 223 46 46 PRO CA C 62.642 0.055 1 224 46 46 PRO CB C 32.697 0.004 1 225 47 47 VAL H H 8.422 0.007 1 226 47 47 VAL C C 175.373 0.018 1 227 47 47 VAL CA C 65.972 0.017 1 228 47 47 VAL CB C 31.923 0.122 1 229 47 47 VAL N N 121.108 0.021 1 230 48 48 ALA H H 8.321 0.006 1 231 48 48 ALA C C 176.225 0.005 1 232 48 48 ALA CA C 51.875 0.044 1 233 48 48 ALA CB C 22.284 0.084 1 234 48 48 ALA N N 127.807 0.033 1 235 49 49 GLN H H 6.890 0.006 1 236 49 49 GLN HE21 H 7.612 . 1 237 49 49 GLN C C 173.206 0.002 1 238 49 49 GLN CA C 54.869 0.001 1 239 49 49 GLN CB C 33.952 0.059 1 240 49 49 GLN N N 113.557 0.02 1 241 49 49 GLN NE2 N 112.570 . 1 242 50 50 TRP H H 8.625 0.006 1 243 50 50 TRP HE1 H 9.500 . 1 244 50 50 TRP C C 174.316 0.002 1 245 50 50 TRP CA C 58.882 0.043 1 246 50 50 TRP CB C 32.200 0.066 1 247 50 50 TRP N N 123.143 0.05 1 248 50 50 TRP NE1 N 127.654 . 1 249 51 51 HIS H H 8.685 0.006 1 250 51 51 HIS C C 173.699 0.014 1 251 51 51 HIS CA C 55.251 0.039 1 252 51 51 HIS CB C 32.199 0.043 1 253 51 51 HIS N N 119.618 0.018 1 254 52 52 ASP H H 9.107 0.007 1 255 52 52 ASP C C 177.357 0.011 1 256 52 52 ASP CA C 53.869 0.04 1 257 52 52 ASP CB C 40.913 0.066 1 258 52 52 ASP N N 127.760 0.046 1 259 53 53 ARG H H 8.112 0.008 1 260 53 53 ARG C C 175.923 0.009 1 261 53 53 ARG CA C 54.714 0.044 1 262 53 53 ARG CB C 29.825 0.083 1 263 53 53 ARG N N 123.471 0.05 1 264 54 54 GLY H H 8.534 0.006 1 265 54 54 GLY C C 172.442 0.004 1 266 54 54 GLY CA C 45.194 0.023 1 267 54 54 GLY N N 109.645 0.032 1 268 55 55 GLU H H 8.156 0.007 1 269 55 55 GLU C C 176.787 0.009 1 270 55 55 GLU CA C 56.143 0.106 1 271 55 55 GLU CB C 30.645 0.058 1 272 55 55 GLU N N 118.846 0.032 1 273 56 56 GLN H H 8.538 0.006 1 274 56 56 GLN HE21 H 7.279 . 1 275 56 56 GLN HE22 H 6.840 . 1 276 56 56 GLN C C 174.491 0.001 1 277 56 56 GLN CA C 53.464 0.038 1 278 56 56 GLN CB C 33.287 0.018 1 279 56 56 GLN N N 121.593 0.035 1 280 56 56 GLN NE2 N 111.295 0.005 1 281 57 57 GLU H H 8.787 0.006 1 282 57 57 GLU C C 175.836 0.009 1 283 57 57 GLU CA C 57.995 0.017 1 284 57 57 GLU CB C 30.697 0.077 1 285 57 57 GLU N N 119.563 0.064 1 286 58 58 VAL H H 8.409 0.006 1 287 58 58 VAL C C 173.403 0.004 1 288 58 58 VAL CA C 62.267 0.005 1 289 58 58 VAL CB C 34.483 0.03 1 290 58 58 VAL N N 124.231 0.046 1 291 59 59 PHE H H 8.662 0.006 1 292 59 59 PHE C C 172.455 0.008 1 293 59 59 PHE CA C 56.664 0.036 1 294 59 59 PHE CB C 43.149 0.053 1 295 59 59 PHE N N 124.825 0.065 1 296 60 60 GLU H H 9.305 0.007 1 297 60 60 GLU C C 174.408 0.005 1 298 60 60 GLU CA C 54.903 0.024 1 299 60 60 GLU CB C 33.640 0.068 1 300 60 60 GLU N N 120.684 0.039 1 301 61 61 TYR H H 9.780 0.007 1 302 61 61 TYR C C 173.967 0.006 1 303 61 61 TYR CA C 57.357 0.036 1 304 61 61 TYR CB C 37.931 0.04 1 305 61 61 TYR N N 130.847 0.02 1 306 62 62 CYS H H 8.656 0.006 1 307 62 62 CYS C C 174.868 0.003 1 308 62 62 CYS CA C 57.257 0.095 1 309 62 62 CYS CB C 27.261 0.08 1 310 62 62 CYS N N 124.156 0.036 1 311 63 63 LEU H H 9.447 0.007 1 312 63 63 LEU C C 179.768 0.009 1 313 63 63 LEU CA C 55.775 0.055 1 314 63 63 LEU CB C 41.599 0.004 1 315 63 63 LEU N N 129.984 0.045 1 316 64 64 GLU H H 8.504 0.006 1 317 64 64 GLU C C 175.556 0.009 1 318 64 64 GLU CA C 60.021 0.024 1 319 64 64 GLU CB C 30.732 0.064 1 320 64 64 GLU N N 118.112 0.031 1 321 65 65 ASP H H 7.533 0.009 1 322 65 65 ASP C C 177.343 0.012 1 323 65 65 ASP CA C 53.417 0.036 1 324 65 65 ASP CB C 40.567 0.073 1 325 65 65 ASP N N 114.190 0.051 1 326 66 66 GLY H H 8.208 0.006 1 327 66 66 GLY C C 174.614 0.001 1 328 66 66 GLY CA C 45.405 0.027 1 329 66 66 GLY N N 108.869 0.057 1 330 67 67 SER H H 8.245 0.006 1 331 67 67 SER C C 172.219 0.015 1 332 67 67 SER CA C 60.072 0.034 1 333 67 67 SER CB C 64.017 0.034 1 334 67 67 SER N N 117.652 0.023 1 335 68 68 LEU H H 8.185 0.007 1 336 68 68 LEU C C 177.748 0.004 1 337 68 68 LEU CA C 54.363 0.083 1 338 68 68 LEU CB C 46.367 0.064 1 339 68 68 LEU N N 117.935 0.089 1 340 69 69 ILE H H 8.875 0.007 1 341 69 69 ILE C C 174.649 0.003 1 342 69 69 ILE CA C 61.777 0.024 1 343 69 69 ILE CB C 42.375 0.031 1 344 69 69 ILE N N 122.178 0.055 1 345 70 70 ARG H H 9.538 0.007 1 346 70 70 ARG C C 174.069 0.004 1 347 70 70 ARG CA C 55.302 0.027 1 348 70 70 ARG CB C 30.006 0.04 1 349 70 70 ARG N N 129.301 0.031 1 350 71 71 ALA H H 8.987 0.007 1 351 71 71 ALA C C 177.146 0.015 1 352 71 71 ALA CA C 50.726 0.017 1 353 71 71 ALA CB C 25.201 0.063 1 354 71 71 ALA N N 124.360 0.038 1 355 72 72 THR H H 8.393 0.007 1 356 72 72 THR C C 176.532 0.008 1 357 72 72 THR CA C 62.626 0.052 1 358 72 72 THR CB C 70.185 0.054 1 359 72 72 THR N N 110.408 0.058 1 360 73 73 LYS H H 9.161 0.006 1 361 73 73 LYS C C 176.120 0.012 1 362 73 73 LYS CA C 58.920 0.092 1 363 73 73 LYS CB C 32.769 0.043 1 364 73 73 LYS N N 120.045 0.013 1 365 74 74 ASP H H 8.265 0.009 1 366 74 74 ASP C C 176.612 0.016 1 367 74 74 ASP CA C 53.140 0.071 1 368 74 74 ASP CB C 41.228 0.088 1 369 74 74 ASP N N 112.848 0.064 1 370 75 75 HIS H H 8.045 0.007 1 371 75 75 HIS CA C 58.723 . 1 372 75 75 HIS CB C 29.884 . 1 373 75 75 HIS N N 120.753 0.038 1 374 76 76 LYS C C 176.875 0.008 1 375 76 76 LYS CA C 57.308 0.014 1 376 76 76 LYS CB C 33.965 0.037 1 377 77 77 PHE H H 9.100 0.006 1 378 77 77 PHE C C 174.252 0.039 1 379 77 77 PHE CA C 56.841 0.019 1 380 77 77 PHE CB C 46.071 0.099 1 381 77 77 PHE N N 124.074 0.018 1 382 78 78 MET H H 8.489 0.004 1 383 78 78 MET C C 178.408 0.008 1 384 78 78 MET CA C 56.175 0.052 1 385 78 78 MET CB C 36.408 0.056 1 386 78 78 MET N N 119.140 0.017 1 387 79 79 THR H H 9.407 0.007 1 388 79 79 THR C C 177.726 0.008 1 389 79 79 THR CA C 61.197 0.113 1 390 79 79 THR CB C 71.361 0.046 1 391 79 79 THR N N 119.187 0.02 1 392 80 80 VAL H H 8.250 0.007 1 393 80 80 VAL C C 174.638 0.008 1 394 80 80 VAL CA C 65.067 0.024 1 395 80 80 VAL CB C 32.291 0.016 1 396 80 80 VAL N N 119.235 0.028 1 397 81 81 ASP H H 8.092 0.006 1 398 81 81 ASP C C 176.679 0.008 1 399 81 81 ASP CA C 53.599 0.024 1 400 81 81 ASP CB C 40.264 0.054 1 401 81 81 ASP N N 117.059 0.031 1 402 82 82 GLY H H 8.352 0.006 1 403 82 82 GLY C C 174.499 0.005 1 404 82 82 GLY CA C 46.002 0.038 1 405 82 82 GLY N N 107.965 0.037 1 406 83 83 GLN H H 7.373 0.007 1 407 83 83 GLN HE21 H 8.033 . 1 408 83 83 GLN HE22 H 6.718 . 1 409 83 83 GLN C C 174.507 0.001 1 410 83 83 GLN CA C 55.509 0.062 1 411 83 83 GLN CB C 31.024 0.064 1 412 83 83 GLN N N 118.063 0.01 1 413 83 83 GLN NE2 N 112.971 0.001 1 414 84 84 MET H H 8.472 0.005 1 415 84 84 MET C C 175.322 0.008 1 416 84 84 MET CA C 53.267 0.042 1 417 84 84 MET CB C 32.719 0.023 1 418 84 84 MET N N 120.011 0.019 1 419 85 85 LEU H H 8.607 0.006 1 420 85 85 LEU C C 173.666 . 1 421 85 85 LEU CA C 51.754 . 1 422 85 85 LEU CB C 45.746 . 1 423 85 85 LEU N N 124.588 0.073 1 424 86 86 PRO C C 178.571 0.013 1 425 86 86 PRO CA C 63.059 0.014 1 426 86 86 PRO CB C 32.925 0.064 1 427 87 87 ILE H H 9.021 0.006 1 428 87 87 ILE C C 175.741 0.008 1 429 87 87 ILE CA C 64.403 0.044 1 430 87 87 ILE CB C 37.774 0.056 1 431 87 87 ILE N N 126.692 0.027 1 432 88 88 ASP H H 7.769 0.008 1 433 88 88 ASP C C 178.475 0.017 1 434 88 88 ASP CA C 58.681 0.071 1 435 88 88 ASP CB C 42.207 0.06 1 436 88 88 ASP N N 119.924 0.025 1 437 89 89 GLU H H 7.166 0.006 1 438 89 89 GLU C C 178.223 0.0 1 439 89 89 GLU CA C 59.135 0.087 1 440 89 89 GLU CB C 29.890 0.074 1 441 89 89 GLU N N 117.093 0.013 1 442 90 90 ILE H H 7.770 0.006 1 443 90 90 ILE C C 178.091 0.029 1 444 90 90 ILE CA C 66.517 0.027 1 445 90 90 ILE CB C 38.103 0.033 1 446 90 90 ILE N N 120.946 0.028 1 447 91 91 PHE H H 8.161 0.006 1 448 91 91 PHE C C 178.828 0.008 1 449 91 91 PHE CA C 60.129 0.026 1 450 91 91 PHE CB C 38.843 0.05 1 451 91 91 PHE N N 116.393 0.025 1 452 92 92 GLU H H 8.707 0.005 1 453 92 92 GLU C C 178.597 0.019 1 454 92 92 GLU CA C 60.070 0.037 1 455 92 92 GLU CB C 29.949 0.072 1 456 92 92 GLU N N 121.328 0.012 1 457 93 93 ARG H H 8.377 0.005 1 458 93 93 ARG C C 174.591 0.0 1 459 93 93 ARG CA C 56.586 0.032 1 460 93 93 ARG CB C 30.554 0.062 1 461 93 93 ARG N N 114.591 0.017 1 462 94 94 GLU H H 7.596 0.007 1 463 94 94 GLU C C 175.702 0.01 1 464 94 94 GLU CA C 56.732 0.104 1 465 94 94 GLU CB C 26.886 0.066 1 466 94 94 GLU N N 116.328 0.014 1 467 95 95 LEU H H 8.100 0.006 1 468 95 95 LEU C C 175.359 0.009 1 469 95 95 LEU CA C 53.650 0.041 1 470 95 95 LEU CB C 43.073 0.039 1 471 95 95 LEU N N 117.332 0.086 1 472 96 96 ASP H H 8.229 0.009 1 473 96 96 ASP C C 176.933 0.023 1 474 96 96 ASP CA C 54.151 0.056 1 475 96 96 ASP CB C 43.166 0.056 1 476 96 96 ASP N N 117.008 0.026 1 477 97 97 LEU H H 9.004 0.005 1 478 97 97 LEU C C 176.792 0.029 1 479 97 97 LEU CA C 56.027 0.036 1 480 97 97 LEU CB C 43.401 0.094 1 481 97 97 LEU N N 124.013 0.027 1 482 98 98 MET H H 8.113 0.006 1 483 98 98 MET C C 175.461 0.009 1 484 98 98 MET CA C 55.783 0.042 1 485 98 98 MET CB C 34.879 0.041 1 486 98 98 MET N N 120.238 0.019 1 487 99 99 ARG H H 7.987 0.007 1 488 99 99 ARG C C 175.610 0.047 1 489 99 99 ARG CA C 54.712 0.04 1 490 99 99 ARG CB C 32.442 0.066 1 491 99 99 ARG N N 123.830 0.023 1 492 100 100 VAL H H 8.873 0.007 1 493 100 100 VAL C C 175.937 0.009 1 494 100 100 VAL CA C 62.227 0.033 1 495 100 100 VAL CB C 32.496 0.052 1 496 100 100 VAL N N 119.661 0.053 1 497 101 101 ASP H H 8.691 0.005 1 498 101 101 ASP C C 174.129 0.002 1 499 101 101 ASP CA C 55.258 0.016 1 500 101 101 ASP CB C 40.165 0.066 1 501 101 101 ASP N N 120.232 0.016 1 502 102 102 ASN H H 7.332 0.007 1 503 102 102 ASN C C 173.014 0.002 1 504 102 102 ASN CA C 51.887 0.028 1 505 102 102 ASN CB C 42.532 0.056 1 506 102 102 ASN N N 114.723 0.013 1 507 103 103 LEU H H 8.210 0.007 1 508 103 103 LEU C C 175.487 . 1 509 103 103 LEU CA C 52.481 . 1 510 103 103 LEU CB C 44.366 . 1 511 103 103 LEU N N 120.702 0.034 1 512 104 104 PRO C C 176.984 0.008 1 513 104 104 PRO CA C 63.125 0.017 1 514 104 104 PRO CB C 35.369 0.078 1 515 105 105 ASN H H 8.906 0.007 1 516 105 105 ASN C C 173.168 0.001 1 517 105 105 ASN CA C 54.120 0.016 1 518 105 105 ASN CB C 38.387 0.037 1 519 105 105 ASN N N 120.984 0.037 1 520 106 106 MET H H 7.300 0.006 1 521 106 106 MET C C 173.957 0.003 1 522 106 106 MET CA C 54.109 0.016 1 523 106 106 MET CB C 34.925 0.055 1 524 106 106 MET N N 114.765 0.02 1 525 107 107 ILE H H 8.336 0.006 1 526 107 107 ILE C C 171.696 0.002 1 527 107 107 ILE CA C 60.761 0.028 1 528 107 107 ILE CB C 41.945 0.012 1 529 107 107 ILE N N 120.281 0.024 1 530 108 108 LYS H H 8.338 0.006 1 531 108 108 LYS C C 176.278 0.008 1 532 108 108 LYS CA C 55.628 0.022 1 533 108 108 LYS CB C 35.561 0.048 1 534 108 108 LYS N N 124.361 0.032 1 535 109 109 ILE H H 9.835 0.006 1 536 109 109 ILE C C 175.327 0.008 1 537 109 109 ILE CA C 62.898 0.013 1 538 109 109 ILE CB C 38.976 0.029 1 539 109 109 ILE N N 121.268 0.021 1 540 110 110 ALA H H 9.547 0.007 1 541 110 110 ALA C C 178.334 0.014 1 542 110 110 ALA CA C 54.582 0.019 1 543 110 110 ALA CB C 21.245 0.074 1 544 110 110 ALA N N 131.129 0.041 1 545 111 111 THR H H 8.034 0.007 1 546 111 111 THR C C 171.232 0.005 1 547 111 111 THR CA C 60.532 0.014 1 548 111 111 THR CB C 73.763 0.035 1 549 111 111 THR N N 106.540 0.066 1 550 112 112 ARG H H 8.282 0.007 1 551 112 112 ARG C C 174.801 0.003 1 552 112 112 ARG CA C 54.538 0.034 1 553 112 112 ARG CB C 33.902 0.038 1 554 112 112 ARG N N 121.374 0.014 1 555 113 113 LYS H H 8.787 0.008 1 556 113 113 LYS C C 174.677 0.012 1 557 113 113 LYS CA C 54.925 0.055 1 558 113 113 LYS CB C 36.618 0.04 1 559 113 113 LYS N N 126.590 0.028 1 560 114 114 TYR H H 8.982 0.007 1 561 114 114 TYR C C 175.024 0.004 1 562 114 114 TYR CA C 58.019 0.022 1 563 114 114 TYR CB C 38.447 0.086 1 564 114 114 TYR N N 126.067 0.055 1 565 115 115 LEU H H 7.992 0.007 1 566 115 115 LEU C C 176.771 0.008 1 567 115 115 LEU CA C 54.829 0.032 1 568 115 115 LEU CB C 43.073 0.038 1 569 115 115 LEU N N 127.319 0.079 1 570 116 116 GLY H H 5.796 0.007 1 571 116 116 GLY C C 171.864 0.003 1 572 116 116 GLY CA C 44.243 0.055 1 573 116 116 GLY N N 105.340 0.017 1 574 117 117 LYS H H 8.195 0.008 1 575 117 117 LYS C C 177.162 0.012 1 576 117 117 LYS CA C 55.870 0.039 1 577 117 117 LYS CB C 33.226 0.016 1 578 117 117 LYS N N 118.773 0.016 1 579 118 118 GLN H H 8.663 0.005 1 580 118 118 GLN C C 174.379 0.01 1 581 118 118 GLN CA C 53.953 0.011 1 582 118 118 GLN CB C 32.978 0.231 1 583 118 118 GLN N N 119.870 0.229 1 584 119 119 ASN H H 8.874 0.007 1 585 119 119 ASN C C 175.254 0.005 1 586 119 119 ASN CA C 55.104 0.103 1 587 119 119 ASN CB C 39.561 0.058 1 588 119 119 ASN N N 121.440 0.013 1 589 120 120 VAL H H 8.177 0.008 1 590 120 120 VAL C C 175.551 0.015 1 591 120 120 VAL CA C 60.391 0.029 1 592 120 120 VAL CB C 35.249 0.049 1 593 120 120 VAL N N 116.535 0.063 1 594 121 121 TYR H H 9.010 0.007 1 595 121 121 TYR C C 174.605 0.006 1 596 121 121 TYR CA C 58.929 0.035 1 597 121 121 TYR CB C 45.698 0.081 1 598 121 121 TYR N N 115.960 0.016 1 599 122 122 ASP H H 9.663 0.006 1 600 122 122 ASP C C 173.810 0.006 1 601 122 122 ASP CA C 54.142 0.027 1 602 122 122 ASP CB C 45.581 0.138 1 603 122 122 ASP N N 119.768 0.025 1 604 123 123 ILE H H 8.111 0.006 1 605 123 123 ILE C C 174.155 0.004 1 606 123 123 ILE CA C 59.511 0.007 1 607 123 123 ILE CB C 42.796 0.034 1 608 123 123 ILE N N 111.223 0.076 1 609 124 124 GLY H H 8.172 0.007 1 610 124 124 GLY C C 172.579 0.007 1 611 124 124 GLY CA C 44.961 0.031 1 612 124 124 GLY N N 105.797 0.033 1 613 125 125 VAL H H 7.762 0.01 1 614 125 125 VAL C C 174.950 0.009 1 615 125 125 VAL CA C 59.668 0.121 1 616 125 125 VAL CB C 35.429 0.024 1 617 125 125 VAL N N 113.608 0.02 1 618 126 126 GLU H H 8.516 0.005 1 619 126 126 GLU C C 177.019 0.01 1 620 126 126 GLU CA C 58.541 0.096 1 621 126 126 GLU CB C 31.162 0.146 1 622 126 126 GLU N N 119.232 0.046 1 623 127 127 ARG H H 8.572 0.007 1 624 127 127 ARG C C 176.242 0.011 1 625 127 127 ARG CA C 56.485 . 1 626 127 127 ARG CB C 29.549 0.082 1 627 127 127 ARG N N 119.674 0.045 1 628 128 128 ASP H H 7.908 0.007 1 629 128 128 ASP C C 176.574 . 1 630 128 128 ASP CA C 57.109 . 1 631 128 128 ASP CB C 40.845 . 1 632 128 128 ASP N N 118.463 0.359 1 633 130 130 ASN C C 171.878 0.005 1 634 130 130 ASN CA C 53.128 0.037 1 635 130 130 ASN CB C 41.361 0.02 1 636 131 131 PHE H H 8.335 0.007 1 637 131 131 PHE C C 173.912 0.009 1 638 131 131 PHE CA C 56.318 0.059 1 639 131 131 PHE CB C 40.301 0.056 1 640 131 131 PHE N N 113.085 0.043 1 641 132 132 ALA H H 8.508 0.007 1 642 132 132 ALA C C 178.771 0.014 1 643 132 132 ALA CA C 51.519 0.043 1 644 132 132 ALA CB C 20.240 0.087 1 645 132 132 ALA N N 120.981 0.032 1 646 133 133 LEU H H 9.276 0.006 1 647 133 133 LEU C C 177.678 0.009 1 648 133 133 LEU CA C 53.412 0.049 1 649 133 133 LEU CB C 45.482 0.07 1 650 133 133 LEU N N 121.832 0.041 1 651 134 134 LYS H H 7.853 0.006 1 652 134 134 LYS C C 176.549 . 1 653 134 134 LYS CA C 59.008 0.034 1 654 134 134 LYS CB C 33.265 0.549 1 655 134 134 LYS N N 119.239 0.021 1 656 135 135 ASN H H 8.855 0.012 1 657 135 135 ASN C C 174.353 . 1 658 135 135 ASN CA C 55.728 . 1 659 135 135 ASN CB C 37.592 0.096 1 660 135 135 ASN N N 118.073 0.394 1 661 136 136 GLY H H 8.394 0.006 1 662 136 136 GLY C C 173.995 0.009 1 663 136 136 GLY CA C 46.174 0.082 1 664 136 136 GLY N N 104.032 0.025 1 665 137 137 PHE H H 6.112 0.008 1 666 137 137 PHE C C 174.263 0.004 1 667 137 137 PHE CA C 57.509 0.074 1 668 137 137 PHE CB C 39.756 0.028 1 669 137 137 PHE N N 116.619 0.055 1 670 138 138 ILE H H 9.712 0.004 1 671 138 138 ILE C C 174.273 0.001 1 672 138 138 ILE CA C 58.003 0.089 1 673 138 138 ILE CB C 37.025 0.034 1 674 138 138 ILE N N 122.671 0.027 1 675 139 139 ALA H H 8.410 0.006 1 676 139 139 ALA C C 176.621 0.011 1 677 139 139 ALA CA C 49.580 0.009 1 678 139 139 ALA CB C 21.576 0.111 1 679 139 139 ALA N N 129.155 0.015 1 680 140 140 SER H H 7.505 0.009 1 681 140 140 SER C C 173.585 0.016 1 682 140 140 SER CA C 58.814 0.02 1 683 140 140 SER CB C 64.922 0.056 1 684 140 140 SER N N 111.398 0.138 1 685 141 141 ALA H H 7.866 0.007 1 686 141 141 ALA C C 176.373 0.003 1 687 141 141 ALA CA C 50.379 0.015 1 688 141 141 ALA CB C 22.652 0.118 1 689 141 141 ALA N N 127.063 0.045 1 690 142 142 CYS H H 8.493 0.007 1 691 142 142 CYS C C 173.464 0.006 1 692 142 142 CYS CA C 58.975 0.091 1 693 142 142 CYS CB C 28.227 0.088 1 694 142 142 CYS N N 119.953 0.023 1 695 143 143 PHE H H 8.180 0.007 1 696 143 143 PHE C C 174.059 0.004 1 697 143 143 PHE CA C 57.588 0.024 1 698 143 143 PHE CB C 40.010 0.049 1 699 143 143 PHE N N 123.866 0.039 1 700 144 144 ASN H H 8.064 0.006 1 701 144 144 ASN C C 179.114 . 1 702 144 144 ASN CA C 54.866 . 1 703 144 144 ASN CB C 40.406 . 1 704 144 144 ASN N N 126.399 0.036 1 stop_ save_