data_34249 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; FLN5 (full length) ; _BMRB_accession_number 34249 _BMRB_flat_file_name bmr34249.str _Entry_type original _Submission_date 2018-03-27 _Accession_date 2018-03-27 _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 Waudby C. A. . 2 Wlodarski T. . . 3 Karyadi M. E. . 4 Cassaignau A. M.E. . 5 Chan S. H.S. . 6 Wentink A. S. . 7 Schmidt-Engler J. M. . 8 Camilloni C. . . 9 Vendruscolo M. . . 10 Cabrita L. D. . 11 Christodoulou J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 196 "13C chemical shifts" 266 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-03 original BMRB . stop_ _Original_release_date 2019-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mapping energy landscapes of a growing filamin domain reveals an intermediate associated with proline isomerization during biosynthesis ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Waudby C. A. . 2 Wlodarski T. . . 3 Karyadi M. E. . 4 Cassaignau A. M.E. . 5 Chan S. H.S. . 6 Wentink A. S. . 7 Schmidt-Engler J. M. . 8 Camilloni C. . . 9 Vendruscolo M. . . 10 Cabrita L. D. . 11 Christodoulou J. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Gelation factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _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 12167.383 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; MHHHHHHASKPAPSAEHSYA EGEGLVKVFDNAPAEFTIFA VDTKGVARTDGGDPFEVAIN GPDGLVVDAKVTDNNDGTYG VVYDAPVEGNYNVNVTLRGN PIKNMPIDVKCIEG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 ALA 9 SER 10 LYS 11 PRO 12 ALA 13 PRO 14 SER 15 ALA 16 GLU 17 HIS 18 SER 19 TYR 20 ALA 21 GLU 22 GLY 23 GLU 24 GLY 25 LEU 26 VAL 27 LYS 28 VAL 29 PHE 30 ASP 31 ASN 32 ALA 33 PRO 34 ALA 35 GLU 36 PHE 37 THR 38 ILE 39 PHE 40 ALA 41 VAL 42 ASP 43 THR 44 LYS 45 GLY 46 VAL 47 ALA 48 ARG 49 THR 50 ASP 51 GLY 52 GLY 53 ASP 54 PRO 55 PHE 56 GLU 57 VAL 58 ALA 59 ILE 60 ASN 61 GLY 62 PRO 63 ASP 64 GLY 65 LEU 66 VAL 67 VAL 68 ASP 69 ALA 70 LYS 71 VAL 72 THR 73 ASP 74 ASN 75 ASN 76 ASP 77 GLY 78 THR 79 TYR 80 GLY 81 VAL 82 VAL 83 TYR 84 ASP 85 ALA 86 PRO 87 VAL 88 GLU 89 GLY 90 ASN 91 TYR 92 ASN 93 VAL 94 ASN 95 VAL 96 THR 97 LEU 98 ARG 99 GLY 100 ASN 101 PRO 102 ILE 103 LYS 104 ASN 105 MET 106 PRO 107 ILE 108 ASP 109 VAL 110 LYS 111 CYS 112 ILE 113 GLU 114 GLY 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 _Gene_mnemonic $entity_1 'Slime mold' 44689 Eukaryota . Dictyostelium discoideum 'abpC, DDB_G0269100' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 200 uM [U-13C; U-15N] FLN5, 10 mM HEPES, 30 mM ammonium chloride, 12 mM magnesium chloride, 2 mM beta-mercaptoethanol, 1 mM EDTA, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 200 uM '[U-13C; U-15N]' HEPES 10 mM 'natural abundance' 'ammonium chloride' 30 mM 'natural abundance' 'magnesium chloride' 12 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name GROMACS _Version 4.6.5 loop_ _Vendor _Address _Electronic_address http://www.gromacs.org/ . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 158 . mM pH 7.5 . pH pressure 1 . atm temperature 283 . 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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNHA' '3D HN(COCA)CB' 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 entity_1 _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 8 8 ALA HA H 4.310 . 1 2 8 8 ALA C C 177.645 . 1 3 8 8 ALA CA C 52.613 . 1 4 8 8 ALA CB C 19.267 . 1 5 9 9 SER H H 8.418 0.002 1 6 9 9 SER N N 115.542 0.003 1 7 11 11 PRO HA H 4.298 . 1 8 11 11 PRO C C 174.887 . 1 9 11 11 PRO CA C 63.616 . 1 10 11 11 PRO CB C 33.168 . 1 11 12 12 ALA H H 8.730 0.002 1 12 12 12 ALA N N 125.994 0.013 1 13 13 13 PRO HA H 4.258 . 1 14 13 13 PRO C C 174.846 . 1 15 13 13 PRO CA C 62.421 . 1 16 13 13 PRO CB C 31.694 . 1 17 14 14 SER H H 9.116 0.003 1 18 14 14 SER N N 112.773 0.005 1 19 15 15 ALA HA H 4.133 . 1 20 15 15 ALA C C 176.991 . 1 21 15 15 ALA CA C 55.312 . 1 22 15 15 ALA CB C 17.967 . 1 23 16 16 GLU H H 7.951 0.002 1 24 16 16 GLU HA H 3.967 . 1 25 16 16 GLU C C 177.458 . 1 26 16 16 GLU CA C 58.689 . 1 27 16 16 GLU CB C 29.465 . 1 28 16 16 GLU N N 114.262 0.007 1 29 17 17 HIS H H 7.053 0.005 1 30 17 17 HIS HA H 4.814 . 1 31 17 17 HIS C C 177.131 . 1 32 17 17 HIS CA C 56.732 . 1 33 17 17 HIS CB C 33.905 . 1 34 17 17 HIS N N 111.572 0.005 1 35 18 18 SER H H 7.634 0.003 1 36 18 18 SER HA H 4.941 . 1 37 18 18 SER C C 170.316 . 1 38 18 18 SER CA C 61.884 . 1 39 18 18 SER CB C 64.539 . 1 40 18 18 SER N N 117.259 0.009 1 41 19 19 TYR H H 8.432 0.003 1 42 19 19 TYR HA H 5.006 . 1 43 19 19 TYR C C 170.885 . 1 44 19 19 TYR CA C 56.299 . 1 45 19 19 TYR CB C 40.809 . 1 46 19 19 TYR N N 116.971 0.019 1 47 20 20 ALA H H 9.761 0.002 1 48 20 20 ALA HA H 5.791 . 1 49 20 20 ALA C C 175.664 . 1 50 20 20 ALA CA C 50.348 . 1 51 20 20 ALA CB C 23.793 . 1 52 20 20 ALA N N 122.765 0.018 1 53 21 21 GLU H H 9.189 0.003 1 54 21 21 GLU HA H 4.841 . 1 55 21 21 GLU C C 175.881 . 1 56 21 21 GLU CA C 55.974 . 1 57 21 21 GLU CB C 35.564 . 1 58 21 21 GLU N N 116.682 0.031 1 59 22 22 GLY H H 8.936 0.002 1 60 22 22 GLY N N 112.955 0.013 1 61 23 23 GLU HA H 4.182 . 1 62 23 23 GLU C C 179.012 . 1 63 23 23 GLU CA C 59.856 . 1 64 23 23 GLU CB C 29.293 . 1 65 24 24 GLY H H 9.165 0.002 1 66 24 24 GLY HA2 H 4.193 . 2 67 24 24 GLY HA3 H 3.390 . 2 68 24 24 GLY C C 171.715 . 1 69 24 24 GLY CA C 46.277 . 1 70 24 24 GLY N N 104.681 0.019 1 71 25 25 LEU H H 7.736 0.003 1 72 25 25 LEU HA H 4.465 . 1 73 25 25 LEU C C 176.471 . 1 74 25 25 LEU CA C 53.758 . 1 75 25 25 LEU CB C 41.680 . 1 76 25 25 LEU N N 115.672 0.01 1 77 26 26 VAL H H 8.097 0.003 1 78 26 26 VAL HA H 4.125 . 1 79 26 26 VAL C C 175.155 . 1 80 26 26 VAL CA C 64.830 . 1 81 26 26 VAL CB C 34.948 . 1 82 26 26 VAL N N 122.044 0.011 1 83 27 27 LYS H H 8.338 0.002 1 84 27 27 LYS HA H 4.509 . 1 85 27 27 LYS C C 172.863 . 1 86 27 27 LYS CA C 57.278 . 1 87 27 27 LYS CB C 33.618 . 1 88 27 27 LYS N N 121.995 0.005 1 89 28 28 VAL H H 7.949 0.002 1 90 28 28 VAL HA H 4.344 . 1 91 28 28 VAL C C 172.677 . 1 92 28 28 VAL CA C 59.494 . 1 93 28 28 VAL CB C 34.987 . 1 94 28 28 VAL N N 123.206 0.015 1 95 29 29 PHE H H 9.160 0.002 1 96 29 29 PHE HA H 5.808 . 1 97 29 29 PHE C C 176.915 . 1 98 29 29 PHE CA C 55.873 . 1 99 29 29 PHE CB C 43.589 . 1 100 29 29 PHE N N 121.588 0.018 1 101 30 30 ASP H H 8.015 0.002 1 102 30 30 ASP HA H 4.785 . 1 103 30 30 ASP C C 177.260 . 1 104 30 30 ASP CA C 54.317 . 1 105 30 30 ASP CB C 39.978 . 1 106 30 30 ASP N N 118.966 0.019 1 107 31 31 ASN H H 7.781 0.003 1 108 31 31 ASN HA H 4.785 . 1 109 31 31 ASN C C 175.220 . 1 110 31 31 ASN CA C 51.413 . 1 111 31 31 ASN CB C 38.156 . 1 112 31 31 ASN N N 116.187 0.01 1 113 32 32 ALA H H 7.453 0.002 1 114 32 32 ALA N N 122.132 0.015 1 115 33 33 PRO HA H 4.313 . 1 116 33 33 PRO C C 175.133 . 1 117 33 33 PRO CA C 63.483 . 1 118 33 33 PRO CB C 32.200 . 1 119 34 34 ALA H H 8.942 0.001 1 120 34 34 ALA HA H 4.548 . 1 121 34 34 ALA C C 175.901 . 1 122 34 34 ALA CA C 50.518 . 1 123 34 34 ALA CB C 20.767 . 1 124 34 34 ALA N N 128.367 0.014 1 125 35 35 GLU H H 8.527 0.001 1 126 35 35 GLU HA H 5.725 . 1 127 35 35 GLU C C 176.904 . 1 128 35 35 GLU CA C 54.516 . 1 129 35 35 GLU CB C 34.191 . 1 130 35 35 GLU N N 117.805 0.012 1 131 36 36 PHE H H 8.777 0.002 1 132 36 36 PHE HA H 5.134 . 1 133 36 36 PHE C C 171.347 . 1 134 36 36 PHE CA C 57.511 . 1 135 36 36 PHE CB C 40.211 . 1 136 36 36 PHE N N 115.949 0.024 1 137 37 37 THR H H 8.910 0.003 1 138 37 37 THR HA H 5.224 . 1 139 37 37 THR C C 172.945 . 1 140 37 37 THR CA C 61.259 . 1 141 37 37 THR CB C 71.897 . 1 142 37 37 THR N N 116.681 0.013 1 143 38 38 ILE H H 9.367 0.003 1 144 38 38 ILE HA H 4.115 . 1 145 38 38 ILE C C 173.306 . 1 146 38 38 ILE CA C 60.895 . 1 147 38 38 ILE CB C 39.781 . 1 148 38 38 ILE N N 125.363 0.046 1 149 39 39 PHE H H 9.426 0.004 1 150 39 39 PHE HA H 4.241 . 1 151 39 39 PHE C C 173.599 . 1 152 39 39 PHE CA C 57.556 . 1 153 39 39 PHE CB C 38.371 . 1 154 39 39 PHE N N 128.216 0.018 1 155 40 40 ALA H H 8.703 0.002 1 156 40 40 ALA HA H 4.611 . 1 157 40 40 ALA C C 177.670 . 1 158 40 40 ALA CA C 51.929 . 1 159 40 40 ALA CB C 21.233 . 1 160 40 40 ALA N N 124.837 0.01 1 161 41 41 VAL H H 9.313 0.003 1 162 41 41 VAL HA H 4.361 . 1 163 41 41 VAL C C 174.055 . 1 164 41 41 VAL CA C 61.701 . 1 165 41 41 VAL CB C 35.296 . 1 166 41 41 VAL N N 127.780 0.013 1 167 42 42 ASP H H 9.035 0.002 1 168 42 42 ASP HA H 5.187 . 1 169 42 42 ASP C C 177.917 . 1 170 42 42 ASP CA C 53.848 . 1 171 42 42 ASP CB C 42.938 . 1 172 42 42 ASP N N 127.088 0.021 1 173 43 43 THR H H 7.517 0.003 1 174 43 43 THR HA H 4.083 . 1 175 43 43 THR C C 175.642 . 1 176 43 43 THR CA C 64.119 . 1 177 43 43 THR CB C 69.012 . 1 178 43 43 THR N N 104.540 0.006 1 179 44 44 LYS H H 9.006 0.004 1 180 44 44 LYS HA H 4.485 . 1 181 44 44 LYS C C 176.933 . 1 182 44 44 LYS CA C 54.981 . 1 183 44 44 LYS CB C 31.898 . 1 184 44 44 LYS N N 122.119 0.027 1 185 45 45 GLY H H 8.124 0.002 1 186 45 45 GLY HA2 H 3.848 . 2 187 45 45 GLY HA3 H 3.004 . 2 188 45 45 GLY C C 173.708 . 1 189 45 45 GLY CA C 45.282 . 1 190 45 45 GLY N N 108.685 0.018 1 191 46 46 VAL H H 8.449 0.004 1 192 46 46 VAL HA H 4.015 . 1 193 46 46 VAL C C 175.800 . 1 194 46 46 VAL CA C 61.876 . 1 195 46 46 VAL CB C 31.923 . 1 196 46 46 VAL N N 125.620 0.026 1 197 47 47 ALA H H 8.963 0.002 1 198 47 47 ALA HA H 4.323 . 1 199 47 47 ALA C C 179.839 . 1 200 47 47 ALA CA C 54.236 . 1 201 47 47 ALA CB C 18.165 . 1 202 47 47 ALA N N 131.643 0.019 1 203 48 48 ARG H H 8.746 0.002 1 204 48 48 ARG HA H 4.428 . 1 205 48 48 ARG C C 176.979 . 1 206 48 48 ARG CA C 55.415 . 1 207 48 48 ARG CB C 29.141 . 1 208 48 48 ARG N N 124.425 0.034 1 209 49 49 THR H H 8.467 0.006 1 210 49 49 THR HA H 4.361 . 1 211 49 49 THR C C 174.067 . 1 212 49 49 THR CA C 61.574 . 1 213 49 49 THR CB C 69.375 . 1 214 49 49 THR N N 107.035 0.015 1 215 50 50 ASP H H 7.480 0.002 1 216 50 50 ASP HA H 4.266 . 1 217 50 50 ASP C C 174.314 . 1 218 50 50 ASP CA C 52.396 . 1 219 50 50 ASP CB C 41.384 . 1 220 50 50 ASP N N 119.110 0.006 1 221 51 51 GLY H H 8.152 0.003 1 222 51 51 GLY HA2 H 4.694 . 2 223 51 51 GLY HA3 H 4.422 . 2 224 51 51 GLY C C 174.960 . 1 225 51 51 GLY CA C 45.047 . 1 226 51 51 GLY N N 104.048 0.012 1 227 52 52 GLY H H 9.915 0.001 1 228 52 52 GLY HA2 H 4.139 . 2 229 52 52 GLY HA3 H 3.686 . 2 230 52 52 GLY C C 175.146 . 1 231 52 52 GLY CA C 45.194 . 1 232 52 52 GLY N N 108.551 0.012 1 233 53 53 ASP H H 8.656 0.004 1 234 53 53 ASP N N 121.996 0.026 1 235 54 54 PRO HA H 4.683 . 1 236 54 54 PRO C C 175.256 . 1 237 54 54 PRO CA C 62.758 . 1 238 54 54 PRO CB C 27.862 . 1 239 55 55 PHE H H 7.660 0.003 1 240 55 55 PHE HA H 4.707 . 1 241 55 55 PHE C C 175.967 . 1 242 55 55 PHE CA C 59.809 . 1 243 55 55 PHE CB C 40.480 . 1 244 55 55 PHE N N 123.131 0.02 1 245 56 56 GLU H H 9.028 0.001 1 246 56 56 GLU HA H 4.608 . 1 247 56 56 GLU C C 174.440 . 1 248 56 56 GLU CA C 54.971 . 1 249 56 56 GLU CB C 33.128 . 1 250 56 56 GLU N N 121.699 0.017 1 251 57 57 VAL H H 8.950 0.003 1 252 57 57 VAL HA H 4.638 . 1 253 57 57 VAL C C 173.901 . 1 254 57 57 VAL CA C 61.471 . 1 255 57 57 VAL CB C 34.095 . 1 256 57 57 VAL N N 120.930 0.022 1 257 58 58 ALA H H 8.583 0.002 1 258 58 58 ALA HA H 4.913 . 1 259 58 58 ALA C C 176.203 . 1 260 58 58 ALA CA C 50.707 . 1 261 58 58 ALA CB C 21.434 . 1 262 58 58 ALA N N 131.758 0.014 1 263 59 59 ILE H H 9.202 0.002 1 264 59 59 ILE HA H 5.196 . 1 265 59 59 ILE C C 173.910 . 1 266 59 59 ILE CA C 60.370 . 1 267 59 59 ILE CB C 40.462 . 1 268 59 59 ILE N N 124.817 0.005 1 269 60 60 ASN H H 8.692 0.003 1 270 60 60 ASN HA H 5.448 . 1 271 60 60 ASN C C 175.202 . 1 272 60 60 ASN N N 126.068 0.007 1 273 61 61 GLY H H 9.428 0.008 1 274 61 61 GLY N N 112.395 0.038 1 275 63 63 ASP HA H 4.286 . 1 276 63 63 ASP C C 176.119 . 1 277 63 63 ASP CA C 54.811 . 1 278 63 63 ASP CB C 39.921 . 1 279 64 64 GLY H H 8.170 0.002 1 280 64 64 GLY HA2 H 4.037 . 2 281 64 64 GLY HA3 H 3.654 . 2 282 64 64 GLY C C 174.556 . 1 283 64 64 GLY CA C 45.589 . 1 284 64 64 GLY N N 105.026 0.013 1 285 65 65 LEU H H 7.136 0.006 1 286 65 65 LEU N N 123.269 0.022 1 287 66 66 VAL H H 8.744 . 1 288 66 66 VAL HA H 4.340 . 1 289 66 66 VAL C C 176.100 . 1 290 66 66 VAL CA C 63.149 . 1 291 66 66 VAL CB C 32.523 . 1 292 66 66 VAL N N 129.486 . 1 293 67 67 VAL H H 8.112 0.004 1 294 67 67 VAL HA H 4.209 . 1 295 67 67 VAL C C 174.532 . 1 296 67 67 VAL CA C 61.379 . 1 297 67 67 VAL CB C 33.689 . 1 298 67 67 VAL N N 129.436 0.018 1 299 68 68 ASP H H 9.049 0.004 1 300 68 68 ASP HA H 4.848 . 1 301 68 68 ASP C C 174.915 . 1 302 68 68 ASP CA C 53.501 . 1 303 68 68 ASP CB C 41.195 . 1 304 68 68 ASP N N 127.940 0.05 1 305 69 69 ALA H H 8.884 0.004 1 306 69 69 ALA HA H 4.625 . 1 307 69 69 ALA C C 176.379 . 1 308 69 69 ALA CA C 51.096 . 1 309 69 69 ALA CB C 20.227 . 1 310 69 69 ALA N N 128.043 0.028 1 311 70 70 LYS H H 8.867 0.002 1 312 70 70 LYS HA H 4.603 . 1 313 70 70 LYS C C 175.846 . 1 314 70 70 LYS CA C 55.641 . 1 315 70 70 LYS CB C 33.127 . 1 316 70 70 LYS N N 123.318 0.011 1 317 71 71 VAL H H 9.021 0.001 1 318 71 71 VAL HA H 4.865 . 1 319 71 71 VAL C C 176.197 . 1 320 71 71 VAL CA C 61.486 . 1 321 71 71 VAL CB C 33.261 . 1 322 71 71 VAL N N 129.520 0.004 1 323 72 72 THR H H 9.967 0.001 1 324 72 72 THR HA H 4.435 . 1 325 72 72 THR C C 172.861 . 1 326 72 72 THR CA C 61.804 . 1 327 72 72 THR CB C 70.735 . 1 328 72 72 THR N N 126.672 0.028 1 329 73 73 ASP H H 8.951 0.002 1 330 73 73 ASP HA H 4.276 . 1 331 73 73 ASP C C 176.103 . 1 332 73 73 ASP CA C 53.441 . 1 333 73 73 ASP CB C 40.958 . 1 334 73 73 ASP N N 126.836 0.02 1 335 74 74 ASN H H 7.476 0.003 1 336 74 74 ASN HA H 4.529 . 1 337 74 74 ASN C C 174.535 . 1 338 74 74 ASN CA C 54.150 . 1 339 74 74 ASN CB C 37.515 . 1 340 74 74 ASN N N 124.999 0.013 1 341 75 75 ASN H H 9.485 0.002 1 342 75 75 ASN HA H 4.057 . 1 343 75 75 ASN C C 173.069 . 1 344 75 75 ASN CA C 54.705 . 1 345 75 75 ASN CB C 37.040 . 1 346 75 75 ASN N N 117.003 0.015 1 347 76 76 ASP H H 7.761 0.004 1 348 76 76 ASP HA H 4.620 . 1 349 76 76 ASP C C 175.614 . 1 350 76 76 ASP CA C 52.828 . 1 351 76 76 ASP CB C 41.175 . 1 352 76 76 ASP N N 115.958 0.011 1 353 77 77 GLY H H 8.179 0.006 1 354 77 77 GLY HA2 H 4.446 . 2 355 77 77 GLY HA3 H 3.569 . 2 356 77 77 GLY C C 172.299 . 1 357 77 77 GLY CA C 45.223 . 1 358 77 77 GLY N N 110.089 0.012 1 359 78 78 THR H H 7.983 0.001 1 360 78 78 THR HA H 5.586 . 1 361 78 78 THR C C 175.224 . 1 362 78 78 THR CA C 59.422 . 1 363 78 78 THR CB C 72.894 . 1 364 78 78 THR N N 108.525 0.008 1 365 79 79 TYR H H 8.704 0.005 1 366 79 79 TYR HA H 5.049 . 1 367 79 79 TYR C C 175.705 . 1 368 79 79 TYR CA C 56.253 . 1 369 79 79 TYR CB C 40.254 . 1 370 79 79 TYR N N 120.110 0.041 1 371 80 80 GLY H H 9.204 0.004 1 372 80 80 GLY HA2 H 4.399 . 2 373 80 80 GLY HA3 H 3.759 . 2 374 80 80 GLY C C 172.782 . 1 375 80 80 GLY CA C 45.623 . 1 376 80 80 GLY N N 112.517 0.022 1 377 81 81 VAL H H 8.784 0.004 1 378 81 81 VAL HA H 4.875 . 1 379 81 81 VAL C C 175.273 . 1 380 81 81 VAL CA C 60.949 . 1 381 81 81 VAL CB C 32.910 . 1 382 81 81 VAL N N 123.858 0.024 1 383 82 82 VAL H H 8.390 0.003 1 384 82 82 VAL HA H 5.352 . 1 385 82 82 VAL C C 174.812 . 1 386 82 82 VAL CA C 60.123 . 1 387 82 82 VAL CB C 35.539 . 1 388 82 82 VAL N N 126.633 0.043 1 389 83 83 TYR H H 9.392 0.001 1 390 83 83 TYR HA H 5.049 . 1 391 83 83 TYR C C 170.845 . 1 392 83 83 TYR CA C 56.102 . 1 393 83 83 TYR CB C 41.293 . 1 394 83 83 TYR N N 124.452 0.015 1 395 84 84 ASP H H 8.315 0.004 1 396 84 84 ASP HA H 4.694 . 1 397 84 84 ASP C C 173.645 . 1 398 84 84 ASP CA C 53.507 . 1 399 84 84 ASP CB C 43.197 . 1 400 84 84 ASP N N 119.294 0.015 1 401 85 85 ALA H H 8.794 0.002 1 402 85 85 ALA N N 127.720 0.013 1 403 86 86 PRO HA H 4.560 . 1 404 86 86 PRO C C 176.640 . 1 405 86 86 PRO CA C 64.283 . 1 406 86 86 PRO CB C 32.563 . 1 407 87 87 VAL H H 6.873 0.005 1 408 87 87 VAL HA H 4.648 . 1 409 87 87 VAL C C 175.205 . 1 410 87 87 VAL CA C 59.446 . 1 411 87 87 VAL CB C 35.647 . 1 412 87 87 VAL N N 113.920 0.029 1 413 88 88 GLU H H 9.186 0.001 1 414 88 88 GLU HA H 4.160 . 1 415 88 88 GLU C C 174.018 . 1 416 88 88 GLU CA C 57.475 . 1 417 88 88 GLU CB C 30.122 . 1 418 88 88 GLU N N 126.538 0.01 1 419 89 89 GLY H H 8.331 0.004 1 420 89 89 GLY HA2 H 4.556 . 2 421 89 89 GLY HA3 H 3.776 . 2 422 89 89 GLY C C 171.840 . 1 423 89 89 GLY CA C 43.721 . 1 424 89 89 GLY N N 107.305 0.009 1 425 90 90 ASN H H 8.611 0.002 1 426 90 90 ASN HA H 5.026 . 1 427 90 90 ASN C C 174.470 . 1 428 90 90 ASN CA C 54.439 . 1 429 90 90 ASN CB C 41.117 . 1 430 90 90 ASN N N 119.554 0.009 1 431 91 91 TYR H H 9.575 0.003 1 432 91 91 TYR HA H 4.705 . 1 433 91 91 TYR C C 173.433 . 1 434 91 91 TYR CA C 57.141 . 1 435 91 91 TYR CB C 39.268 . 1 436 91 91 TYR N N 125.090 0.014 1 437 92 92 ASN H H 8.969 0.001 1 438 92 92 ASN HA H 5.341 . 1 439 92 92 ASN C C 173.300 . 1 440 92 92 ASN CA C 53.427 . 1 441 92 92 ASN CB C 42.148 . 1 442 92 92 ASN N N 123.066 0.011 1 443 93 93 VAL H H 9.494 0.002 1 444 93 93 VAL HA H 4.211 . 1 445 93 93 VAL C C 172.941 . 1 446 93 93 VAL CA C 61.859 . 1 447 93 93 VAL CB C 32.992 . 1 448 93 93 VAL N N 128.971 0.016 1 449 94 94 ASN H H 8.923 0.004 1 450 94 94 ASN HA H 5.259 . 1 451 94 94 ASN C C 174.926 . 1 452 94 94 ASN CA C 51.730 . 1 453 94 94 ASN CB C 41.539 . 1 454 94 94 ASN N N 123.334 0.017 1 455 95 95 VAL H H 7.598 0.004 1 456 95 95 VAL HA H 5.104 . 1 457 95 95 VAL C C 174.500 . 1 458 95 95 VAL CA C 61.020 . 1 459 95 95 VAL CB C 32.823 . 1 460 95 95 VAL N N 128.263 0.009 1 461 96 96 THR H H 9.229 0.003 1 462 96 96 THR HA H 5.098 . 1 463 96 96 THR C C 172.986 . 1 464 96 96 THR CA C 58.818 . 1 465 96 96 THR CB C 73.289 . 1 466 96 96 THR N N 115.995 0.021 1 467 97 97 LEU H H 8.718 0.005 1 468 97 97 LEU HA H 4.354 . 1 469 97 97 LEU C C 176.080 . 1 470 97 97 LEU CA C 53.566 . 1 471 97 97 LEU CB C 44.366 . 1 472 97 97 LEU N N 119.526 0.008 1 473 98 98 ARG H H 9.490 0.003 1 474 98 98 ARG HA H 3.852 . 1 475 98 98 ARG C C 175.943 . 1 476 98 98 ARG CA C 57.045 . 1 477 98 98 ARG CB C 27.990 . 1 478 98 98 ARG N N 129.132 0.05 1 479 99 99 GLY H H 8.804 0.002 1 480 99 99 GLY HA2 H 4.197 . 2 481 99 99 GLY HA3 H 3.477 . 2 482 99 99 GLY C C 173.555 . 1 483 99 99 GLY CA C 44.944 . 1 484 99 99 GLY N N 102.781 0.013 1 485 100 100 ASN H H 7.638 0.003 1 486 100 100 ASN N N 119.957 0.015 1 487 101 101 PRO HA H 4.652 . 1 488 101 101 PRO C C 177.118 . 1 489 101 101 PRO CA C 62.963 . 1 490 101 101 PRO CB C 32.155 . 1 491 102 102 ILE H H 7.694 0.004 1 492 102 102 ILE HA H 5.166 . 1 493 102 102 ILE C C 174.054 . 1 494 102 102 ILE CA C 60.320 . 1 495 102 102 ILE CB C 36.196 . 1 496 102 102 ILE N N 113.943 0.069 1 497 103 103 LYS H H 7.713 0.004 1 498 103 103 LYS HA H 3.988 . 1 499 103 103 LYS C C 177.096 . 1 500 103 103 LYS N N 120.254 0.029 1 501 104 104 ASN H H 9.033 0.002 1 502 104 104 ASN HA H 4.368 . 1 503 104 104 ASN C C 173.536 . 1 504 104 104 ASN CA C 54.927 . 1 505 104 104 ASN CB C 37.414 . 1 506 104 104 ASN N N 117.416 0.004 1 507 105 105 MET H H 7.497 0.004 1 508 105 105 MET N N 115.945 0.014 1 509 106 106 PRO HA H 4.948 . 1 510 106 106 PRO C C 175.269 . 1 511 106 106 PRO CA C 63.038 . 1 512 106 106 PRO CB C 35.855 . 1 513 107 107 ILE H H 9.138 0.001 1 514 107 107 ILE HA H 4.571 . 1 515 107 107 ILE C C 172.987 . 1 516 107 107 ILE CA C 59.951 . 1 517 107 107 ILE CB C 42.746 . 1 518 107 107 ILE N N 119.748 0.01 1 519 108 108 ASP H H 8.241 0.003 1 520 108 108 ASP HA H 5.556 . 1 521 108 108 ASP C C 175.510 . 1 522 108 108 ASP CA C 54.277 . 1 523 108 108 ASP CB C 42.770 . 1 524 108 108 ASP N N 125.612 0.011 1 525 109 109 VAL H H 9.664 0.002 1 526 109 109 VAL HA H 4.106 . 1 527 109 109 VAL C C 173.479 . 1 528 109 109 VAL CA C 61.159 . 1 529 109 109 VAL CB C 35.054 . 1 530 109 109 VAL N N 126.815 0.013 1 531 110 110 LYS H H 8.416 0.003 1 532 110 110 LYS HA H 4.706 . 1 533 110 110 LYS C C 174.833 . 1 534 110 110 LYS CA C 55.736 . 1 535 110 110 LYS CB C 33.490 . 1 536 110 110 LYS N N 126.752 0.017 1 537 111 111 CYS H H 9.323 0.003 1 538 111 111 CYS HA H 5.072 . 1 539 111 111 CYS C C 175.312 . 1 540 111 111 CYS CA C 54.651 . 1 541 111 111 CYS CB C 29.407 . 1 542 111 111 CYS N N 125.070 0.008 1 543 112 112 ILE H H 8.689 0.005 1 544 112 112 ILE HA H 4.801 . 1 545 112 112 ILE C C 174.422 . 1 546 112 112 ILE CA C 59.225 . 1 547 112 112 ILE CB C 41.201 . 1 548 112 112 ILE N N 126.192 0.042 1 549 113 113 GLU H H 8.465 0.001 1 550 113 113 GLU HA H 4.138 . 1 551 113 113 GLU C C 177.111 . 1 552 113 113 GLU CA C 57.325 . 1 553 113 113 GLU CB C 30.244 . 1 554 113 113 GLU N N 121.628 0.005 1 555 114 114 GLY H H 8.737 0.001 1 556 114 114 GLY N N 119.586 0.011 1 stop_ save_