data_27460 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; chemical shift assignnment of recombinant repetitive domain of spider dragline silk ; _BMRB_accession_number 27460 _BMRB_flat_file_name bmr27460.str _Entry_type original _Submission_date 2018-04-23 _Accession_date 2018-04-23 _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 Oktaviani Nur A. . 2 Matsugami Akimasa . . 3 Malay Ali D. . 4 Hayashi Fumiaki . . 5 Kaplan David L. . 6 Numata Keiji . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1052 "13C chemical shifts" 860 "15N chemical shifts" 309 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-07 update BMRB 'update entry citation' 2018-04-27 original author 'original release' stop_ _Original_release_date 2018-04-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformation and dynamics of soluble repetitive domain elucidates the initial beta-sheet formation of spider silk ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29844575 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Oktaviani Nur A. . 2 Matsugami Akimasa . . 3 Malay Ali D. . 4 Hayashi Fumiaki . . 5 Kaplan David L. . 6 Numata Keiji . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2121 _Page_last 2121 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'repetitive domain spider dragline silk' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'repetitive domain spider dragline silk monomer' $repetitive_domain_spider_dragline_silk 'repetitive domain spider dragline silk dimer' $repetitive_domain_spider_dragline_silk 'repetitive domain spider dragline silk trimer' $repetitive_domain_spider_dragline_silk 'repetitive domain spider dragline silk hexamer' $repetitive_domain_spider_dragline_silk 'repetitive domain spider dragline silk 15-mer' $repetitive_domain_spider_dragline_silk stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_repetitive_domain_spider_dragline_silk _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common repetitive_domain_spider_dragline_silk _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'repetitive domain of spider dragline silk functions to form beta-sheet of silk fiber' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; MHHHHHHSSGLVPRGSGMKE TAAAKFERQHMDSPDLGTDD DDKAMAASGRGGLGGQGAGA AAAAGGAGQGGYGGLGSQGT SG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 SER 9 SER 10 GLY 11 LEU 12 VAL 13 PRO 14 ARG 15 GLY 16 SER 17 GLY 18 MET 19 LYS 20 GLU 21 THR 22 ALA 23 ALA 24 ALA 25 LYS 26 PHE 27 GLU 28 ARG 29 GLN 30 HIS 31 MET 32 ASP 33 SER 34 PRO 35 ASP 36 LEU 37 GLY 38 THR 39 ASP 40 ASP 41 ASP 42 ASP 43 LYS 44 ALA 45 MET 46 ALA 47 ALA 48 SER 49 GLY 50 ARG 51 GLY 52 GLY 53 LEU 54 GLY 55 GLY 56 GLN 57 GLY 58 ALA 59 GLY 60 ALA 61 ALA 62 ALA 63 ALA 64 ALA 65 GLY 66 GLY 67 ALA 68 GLY 69 GLN 70 GLY 71 GLY 72 TYR 73 GLY 74 GLY 75 LEU 76 GLY 77 SER 78 GLN 79 GLY 80 THR 81 SER 82 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 $repetitive_domain_spider_dragline_silk spider 6915 Eukaryota Metazoa Nephila clavipes 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 $repetitive_domain_spider_dragline_silk 'recombinant technology' . Escherichia coli . pET30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.1 mM DSS was added for referencing' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $repetitive_domain_spider_dragline_silk 1.85 mM 1.5 2.2 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 10 mM . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' DSS 0.1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model ECA _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_(H)C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _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' 10 . mM pH 7 . pH pressure 1 . atm temperature 283 . 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 . . . 0.251449530 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_repetitive_domain_dragline_silk_monomer _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D HN(CA)CO' '3D (H)C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'repetitive domain spider dragline silk monomer' _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 SER HB2 H 3.909 . 2 2 8 8 SER HB3 H 3.909 . 2 3 8 8 SER C C 174.724 . 1 4 8 8 SER CB C 63.927 . 1 5 9 9 SER H H 8.628 . 1 6 9 9 SER HB2 H 3.960 . 2 7 9 9 SER HB3 H 3.960 . 2 8 9 9 SER C C 175.065 . 1 9 9 9 SER CA C 58.899 . 1 10 9 9 SER CB C 63.934 . 1 11 9 9 SER N N 118.327 . 1 12 10 10 GLY H H 8.509 . 1 13 10 10 GLY HA2 H 3.998 . 2 14 10 10 GLY HA3 H 3.998 . 2 15 10 10 GLY C C 173.893 . 1 16 10 10 GLY CA C 45.372 . 1 17 10 10 GLY N N 110.732 . 1 18 11 11 LEU H H 8.170 . 1 19 11 11 LEU HA H 4.426 . 1 20 11 11 LEU HB2 H 1.562 . 2 21 11 11 LEU HB3 H 1.562 . 2 22 11 11 LEU C C 177.254 . 1 23 11 11 LEU CA C 55.157 . 1 24 11 11 LEU CB C 42.594 . 1 25 11 11 LEU N N 121.608 . 1 26 12 12 VAL H H 8.260 . 1 27 12 12 VAL CA C 59.975 . 1 28 12 12 VAL CB C 32.767 . 1 29 12 12 VAL N N 123.151 . 1 30 13 13 PRO HA H 4.432 . 1 31 13 13 PRO HB2 H 2.337 . 2 32 13 13 PRO HB3 H 2.337 . 2 33 13 13 PRO HG2 H 2.053 . 2 34 13 13 PRO HG3 H 1.954 . 2 35 13 13 PRO C C 176.904 . 1 36 13 13 PRO CA C 63.210 . 1 37 13 13 PRO CB C 32.300 . 1 38 13 13 PRO CG C 27.582 . 1 39 14 14 ARG H H 8.652 . 1 40 14 14 ARG HA H 4.466 . 1 41 14 14 ARG HB2 H 1.870 . 2 42 14 14 ARG HB3 H 1.870 . 2 43 14 14 ARG HG2 H 1.721 . 2 44 14 14 ARG HG3 H 1.721 . 2 45 14 14 ARG HD2 H 3.262 . 2 46 14 14 ARG HD3 H 3.262 . 2 47 14 14 ARG C C 177.123 . 1 48 14 14 ARG CA C 56.542 . 1 49 14 14 ARG CB C 30.990 . 1 50 14 14 ARG CG C 27.306 . 1 51 14 14 ARG N N 122.339 . 1 52 15 15 GLY H H 8.642 . 1 53 15 15 GLY HA2 H 4.052 . 2 54 15 15 GLY HA3 H 4.052 . 2 55 15 15 GLY C C 174.308 . 1 56 15 15 GLY CA C 45.330 . 1 57 15 15 GLY N N 110.732 . 1 58 16 16 SER H H 8.483 . 1 59 16 16 SER HA H 4.466 . 1 60 16 16 SER HB2 H 3.934 . 2 61 16 16 SER HB3 H 3.934 . 2 62 16 16 SER C C 175.305 . 1 63 16 16 SER CA C 58.773 . 1 64 16 16 SER CB C 64.126 . 1 65 16 16 SER N N 115.912 . 1 66 17 17 GLY H H 8.710 . 1 67 17 17 GLY HA2 H 4.011 . 2 68 17 17 GLY HA3 H 4.011 . 2 69 17 17 GLY C C 174.226 . 1 70 17 17 GLY CA C 45.543 . 1 71 17 17 GLY N N 111.145 . 1 72 18 18 MET H H 8.284 . 1 73 18 18 MET HA H 4.519 . 1 74 18 18 MET HB2 H 2.122 . 2 75 18 18 MET HB3 H 2.010 . 2 76 18 18 MET HG2 H 2.582 . 2 77 18 18 MET HG3 H 2.582 . 2 78 18 18 MET C C 176.428 . 1 79 18 18 MET CA C 55.769 . 1 80 18 18 MET CB C 33.062 . 1 81 18 18 MET CG C 32.078 . 1 82 18 18 MET N N 120.016 . 1 83 19 19 LYS H H 8.551 . 1 84 19 19 LYS HA H 4.326 . 1 85 19 19 LYS HB2 H 1.833 . 2 86 19 19 LYS HB3 H 1.833 . 2 87 19 19 LYS HG2 H 1.471 . 2 88 19 19 LYS HG3 H 1.471 . 2 89 19 19 LYS C C 176.726 . 1 90 19 19 LYS CA C 56.703 . 1 91 19 19 LYS CB C 33.166 . 1 92 19 19 LYS CG C 25.014 . 1 93 19 19 LYS N N 122.907 . 1 94 20 20 GLU H H 8.657 . 1 95 20 20 GLU HA H 4.375 . 1 96 20 20 GLU HB2 H 2.000 . 2 97 20 20 GLU HB3 H 2.000 . 2 98 20 20 GLU HG2 H 2.324 . 2 99 20 20 GLU HG3 H 2.324 . 2 100 20 20 GLU C C 176.866 . 1 101 20 20 GLU CA C 56.848 . 1 102 20 20 GLU CB C 30.511 . 1 103 20 20 GLU CG C 36.786 . 1 104 20 20 GLU N N 122.719 . 1 105 21 21 THR H H 8.329 . 1 106 21 21 THR HA H 4.321 . 1 107 21 21 THR HG2 H 1.287 . 1 108 21 21 THR C C 174.608 . 1 109 21 21 THR CA C 62.154 . 1 110 21 21 THR CB C 70.136 . 1 111 21 21 THR N N 115.857 . 1 112 22 22 ALA H H 8.520 . 1 113 22 22 ALA HA H 4.306 . 1 114 22 22 ALA HB H 1.449 . 1 115 22 22 ALA C C 178.098 . 1 116 22 22 ALA CA C 53.242 . 1 117 22 22 ALA CB C 19.108 . 1 118 22 22 ALA N N 126.318 . 1 119 23 23 ALA H H 8.342 . 1 120 23 23 ALA HA H 4.275 . 1 121 23 23 ALA C C 178.124 . 1 122 23 23 ALA CA C 53.044 . 1 123 23 23 ALA CB C 19.229 . 1 124 23 23 ALA N N 122.783 . 1 125 24 24 ALA H H 8.238 . 1 126 24 24 ALA HA H 4.277 . 1 127 24 24 ALA HB H 1.487 . 1 128 24 24 ALA C C 179.156 . 1 129 24 24 ALA CA C 53.734 . 1 130 24 24 ALA CB C 18.826 . 1 131 24 24 ALA N N 123.170 . 1 132 25 25 LYS H H 8.247 . 1 133 25 25 LYS HA H 4.216 . 1 134 25 25 LYS HB2 H 1.761 . 2 135 25 25 LYS HB3 H 1.761 . 2 136 25 25 LYS HG2 H 1.354 . 2 137 25 25 LYS HG3 H 1.354 . 2 138 25 25 LYS C C 177.035 . 1 139 25 25 LYS CA C 56.648 . 1 140 25 25 LYS CB C 32.715 . 1 141 25 25 LYS N N 118.552 . 1 142 26 26 PHE H H 8.264 . 1 143 26 26 PHE HA H 4.617 . 1 144 26 26 PHE HB2 H 3.194 . 2 145 26 26 PHE HB3 H 3.086 . 2 146 26 26 PHE C C 176.055 . 1 147 26 26 PHE CA C 58.251 . 1 148 26 26 PHE CB C 39.612 . 1 149 26 26 PHE N N 120.687 . 1 150 27 27 GLU H H 8.374 . 1 151 27 27 GLU HA H 4.523 . 1 152 27 27 GLU HG2 H 2.291 . 2 153 27 27 GLU HG3 H 2.291 . 2 154 27 27 GLU C C 176.455 . 1 155 27 27 GLU CA C 56.778 . 1 156 27 27 GLU CB C 30.459 . 1 157 27 27 GLU CG C 36.492 . 1 158 27 27 GLU N N 122.407 . 1 159 28 28 ARG H H 8.357 . 1 160 28 28 ARG HA H 4.304 . 1 161 28 28 ARG HG2 H 1.688 . 2 162 28 28 ARG HG3 H 1.688 . 2 163 28 28 ARG HD2 H 3.272 . 2 164 28 28 ARG HD3 H 3.272 . 2 165 28 28 ARG C C 176.534 . 1 166 28 28 ARG CA C 55.934 . 1 167 28 28 ARG CB C 30.799 . 1 168 28 28 ARG CG C 27.376 . 1 169 28 28 ARG CD C 43.519 . 1 170 28 28 ARG N N 121.650 . 1 171 29 29 GLN H H 8.511 . 1 172 29 29 GLN HA H 4.256 . 1 173 29 29 GLN HG2 H 2.453 . 2 174 29 29 GLN HG3 H 2.453 . 2 175 29 29 GLN C C 175.932 . 1 176 29 29 GLN CA C 56.520 . 1 177 29 29 GLN CB C 29.536 . 1 178 29 29 GLN CG C 33.818 . 1 179 29 29 GLN N N 120.943 . 1 180 30 30 HIS H H 8.476 . 1 181 30 30 HIS C C 174.502 . 1 182 30 30 HIS CA C 54.583 . 1 183 30 30 HIS N N 119.938 . 1 184 31 31 MET HA H 4.490 . 1 185 31 31 MET HB2 H 2.256 . 2 186 31 31 MET HB3 H 2.256 . 2 187 31 31 MET HG2 H 2.542 . 2 188 31 31 MET HG3 H 2.542 . 2 189 31 31 MET C C 175.763 . 1 190 31 31 MET CA C 55.671 . 1 191 31 31 MET CB C 33.332 . 1 192 31 31 MET CG C 31.825 . 1 193 32 32 ASP H H 8.564 . 1 194 32 32 ASP HA H 4.656 . 1 195 32 32 ASP HB2 H 2.746 . 2 196 32 32 ASP HB3 H 2.646 . 2 197 32 32 ASP C C 175.900 . 1 198 32 32 ASP CA C 54.575 . 1 199 32 32 ASP CB C 41.303 . 1 200 32 32 ASP N N 121.331 . 1 201 33 33 SER H H 8.255 . 1 202 33 33 SER C C 172.830 . 1 203 33 33 SER CA C 56.356 . 1 204 33 33 SER CB C 63.704 . 1 205 33 33 SER N N 116.612 . 1 206 34 34 PRO HA H 4.478 . 1 207 34 34 PRO HB2 H 2.301 . 2 208 34 34 PRO HB3 H 2.301 . 2 209 34 34 PRO HG2 H 1.982 . 2 210 34 34 PRO HG3 H 1.982 . 2 211 34 34 PRO C C 176.474 . 1 212 34 34 PRO CA C 63.526 . 1 213 34 34 PRO CB C 32.257 . 1 214 34 34 PRO CG C 27.336 . 1 215 35 35 ASP H H 8.479 . 1 216 35 35 ASP HA H 4.621 . 1 217 35 35 ASP HB2 H 2.768 . 2 218 35 35 ASP HB3 H 2.610 . 2 219 35 35 ASP C C 176.333 . 1 220 35 35 ASP CA C 54.354 . 1 221 35 35 ASP CB C 41.201 . 1 222 35 35 ASP N N 120.237 . 1 223 36 36 LEU H H 8.368 . 1 224 36 36 LEU HA H 4.373 . 1 225 36 36 LEU HB2 H 1.680 . 2 226 36 36 LEU HB3 H 1.680 . 2 227 36 36 LEU C C 178.170 . 1 228 36 36 LEU CA C 55.386 . 1 229 36 36 LEU CB C 42.431 . 1 230 36 36 LEU CG C 27.176 . 1 231 36 36 LEU N N 123.398 . 1 232 37 37 GLY H H 8.626 . 1 233 37 37 GLY HA2 H 4.088 . 2 234 37 37 GLY HA3 H 4.088 . 2 235 37 37 GLY C C 174.433 . 1 236 37 37 GLY CA C 45.491 . 1 237 37 37 GLY N N 109.719 . 1 238 38 38 THR H H 8.208 . 1 239 38 38 THR HA H 4.331 . 1 240 38 38 THR HG2 H 1.228 . 1 241 38 38 THR C C 174.666 . 1 242 38 38 THR CA C 61.679 . 1 243 38 38 THR CB C 70.274 . 1 244 38 38 THR N N 113.187 . 1 245 39 39 ASP H H 8.600 . 1 246 39 39 ASP HA H 4.685 . 1 247 39 39 ASP HB2 H 2.771 . 2 248 39 39 ASP HB3 H 2.683 . 2 249 39 39 ASP C C 176.281 . 1 250 39 39 ASP CA C 54.837 . 1 251 39 39 ASP CB C 41.334 . 1 252 39 39 ASP N N 122.543 . 1 253 40 40 ASP H H 8.377 . 1 254 40 40 ASP HA H 4.621 . 1 255 40 40 ASP HB2 H 2.745 . 2 256 40 40 ASP HB3 H 2.646 . 2 257 40 40 ASP C C 176.599 . 1 258 40 40 ASP CA C 54.916 . 1 259 40 40 ASP CB C 41.275 . 1 260 40 40 ASP N N 120.653 . 1 261 41 41 ASP H H 8.389 . 1 262 41 41 ASP HA H 4.596 . 1 263 41 41 ASP HB2 H 2.742 . 2 264 41 41 ASP HB3 H 2.742 . 2 265 41 41 ASP C C 176.730 . 1 266 41 41 ASP CA C 55.187 . 1 267 41 41 ASP CB C 41.231 . 1 268 41 41 ASP N N 121.078 . 1 269 42 42 ASP H H 8.422 . 1 270 42 42 ASP HA H 4.548 . 1 271 42 42 ASP HB2 H 2.763 . 2 272 42 42 ASP HB3 H 2.763 . 2 273 42 42 ASP C C 177.647 . 1 274 42 42 ASP CA C 55.718 . 1 275 42 42 ASP CB C 40.939 . 1 276 42 42 ASP N N 120.973 . 1 277 43 43 LYS H H 8.292 . 1 278 43 43 LYS HA H 4.227 . 1 279 43 43 LYS HB2 H 1.715 . 2 280 43 43 LYS HB3 H 1.715 . 2 281 43 43 LYS HG2 H 1.451 . 2 282 43 43 LYS HG3 H 1.451 . 2 283 43 43 LYS C C 177.834 . 1 284 43 43 LYS CA C 57.742 . 1 285 43 43 LYS CB C 32.528 . 1 286 43 43 LYS CG C 25.153 . 1 287 43 43 LYS CD C 29.082 . 1 288 43 43 LYS N N 121.405 . 1 289 44 44 ALA H H 8.231 . 1 290 44 44 ALA HA H 4.261 . 1 291 44 44 ALA HB H 1.406 . 1 292 44 44 ALA C C 178.209 . 1 293 44 44 ALA CA C 53.049 . 1 294 44 44 ALA CB C 19.314 . 1 295 44 44 ALA N N 123.163 . 1 296 45 45 MET H H 8.231 . 1 297 45 45 MET C C 176.752 . 1 298 45 45 MET CA C 56.968 . 1 299 45 45 MET CB C 33.124 . 1 300 45 45 MET N N 120.024 . 1 301 46 46 ALA HA H 4.295 . 1 302 46 46 ALA HB H 1.475 . 1 303 46 46 ALA C C 178.492 . 1 304 46 46 ALA CA C 53.564 . 1 305 46 46 ALA CB C 18.942 . 1 306 47 47 ALA H H 8.249 . 1 307 47 47 ALA HA H 4.326 . 1 308 47 47 ALA HB H 1.482 . 1 309 47 47 ALA C C 178.491 . 1 310 47 47 ALA CA C 53.342 . 1 311 47 47 ALA CB C 19.026 . 1 312 47 47 ALA N N 122.187 . 1 313 48 48 SER H H 8.205 . 1 314 48 48 SER HA H 4.401 . 1 315 48 48 SER HB2 H 3.983 . 2 316 48 48 SER HB3 H 3.983 . 2 317 48 48 SER C C 175.481 . 1 318 48 48 SER CA C 59.096 . 1 319 48 48 SER CB C 63.940 . 1 320 48 48 SER N N 113.979 . 1 321 49 49 GLY H H 8.376 . 1 322 49 49 GLY HA2 H 4.053 . 2 323 49 49 GLY HA3 H 4.053 . 2 324 49 49 GLY C C 174.589 . 1 325 49 49 GLY CA C 45.709 . 1 326 49 49 GLY N N 110.439 . 1 327 50 50 ARG H H 8.247 . 1 328 50 50 ARG HA H 4.394 . 1 329 50 50 ARG C C 177.052 . 1 330 50 50 ARG CA C 56.510 . 1 331 50 50 ARG CB C 30.852 . 1 332 50 50 ARG CG C 27.201 . 1 333 50 50 ARG CD C 43.422 . 1 334 50 50 ARG N N 120.268 . 1 335 51 51 GLY H H 8.620 . 1 336 51 51 GLY HA2 H 3.934 . 2 337 51 51 GLY HA3 H 3.934 . 2 338 51 51 GLY C C 174.698 . 1 339 51 51 GLY CA C 45.485 . 1 340 51 51 GLY N N 109.911 . 1 341 52 52 GLY H H 7.959 . 1 342 52 52 GLY HA2 H 3.999 . 2 343 52 52 GLY HA3 H 3.999 . 2 344 52 52 GLY C C 174.339 . 1 345 52 52 GLY CA C 45.262 . 1 346 52 52 GLY N N 108.231 . 1 347 53 53 LEU H H 8.361 . 1 348 53 53 LEU HA H 4.400 . 1 349 53 53 LEU HB2 H 1.700 . 2 350 53 53 LEU HB3 H 1.629 . 2 351 53 53 LEU HD1 H 0.972 . 1 352 53 53 LEU C C 178.378 . 1 353 53 53 LEU CA C 55.584 . 1 354 53 53 LEU CB C 42.392 . 1 355 53 53 LEU CG C 27.180 . 1 356 53 53 LEU N N 121.647 . 1 357 54 54 GLY H H 8.646 . 1 358 54 54 GLY HA2 H 4.005 . 2 359 54 54 GLY HA3 H 4.005 . 2 360 54 54 GLY C C 174.722 . 1 361 54 54 GLY CA C 45.556 . 1 362 54 54 GLY N N 109.841 . 1 363 55 55 GLY H H 8.381 . 1 364 55 55 GLY HA2 H 4.012 . 2 365 55 55 GLY HA3 H 4.012 . 2 366 55 55 GLY C C 174.527 . 1 367 55 55 GLY CA C 45.432 . 1 368 55 55 GLY N N 108.643 . 1 369 56 56 GLN H H 8.468 . 1 370 56 56 GLN HA H 4.394 . 1 371 56 56 GLN C C 176.774 . 1 372 56 56 GLN CA C 56.290 . 1 373 56 56 GLN CB C 29.619 . 1 374 56 56 GLN N N 119.729 . 1 375 57 57 GLY H H 8.639 . 1 376 57 57 GLY HA2 H 3.971 . 2 377 57 57 GLY HA3 H 3.971 . 2 378 57 57 GLY C C 174.128 . 1 379 57 57 GLY CA C 45.371 . 1 380 57 57 GLY N N 110.127 . 1 381 58 58 ALA H H 8.408 . 1 382 58 58 ALA HA H 4.355 . 1 383 58 58 ALA HB H 1.436 . 1 384 58 58 ALA C C 178.623 . 1 385 58 58 ALA CA C 52.906 . 1 386 58 58 ALA CB C 19.366 . 1 387 58 58 ALA N N 123.877 . 1 388 59 59 GLY H H 8.569 . 1 389 59 59 GLY HA2 H 3.997 . 2 390 59 59 GLY HA3 H 3.997 . 2 391 59 59 GLY C C 174.180 . 1 392 59 59 GLY CA C 45.350 . 1 393 59 59 GLY N N 108.349 . 1 394 60 60 ALA H H 8.405 . 1 395 60 60 ALA C C 178.650 . 1 396 60 60 ALA CA C 52.734 . 1 397 60 60 ALA CB C 19.322 . 1 398 60 60 ALA N N 123.951 . 1 399 61 61 ALA H H 8.339 . 1 400 61 61 ALA HA H 4.303 . 1 401 61 61 ALA HB H 1.421 . 1 402 61 61 ALA C C 178.004 . 1 403 61 61 ALA CA C 52.762 . 1 404 61 61 ALA CB C 19.412 . 1 405 61 61 ALA N N 123.415 . 1 406 62 62 ALA H H 8.369 . 1 407 62 62 ALA HA H 4.284 . 1 408 62 62 ALA HB H 1.425 . 1 409 62 62 ALA C C 177.980 . 1 410 62 62 ALA CA C 52.772 . 1 411 62 62 ALA CB C 19.210 . 1 412 62 62 ALA N N 123.122 . 1 413 63 63 ALA H H 8.278 . 1 414 63 63 ALA HA H 4.312 . 1 415 63 63 ALA HB H 1.432 . 1 416 63 63 ALA C C 177.830 . 1 417 63 63 ALA CA C 52.642 . 1 418 63 63 ALA CB C 19.267 . 1 419 63 63 ALA N N 123.199 . 1 420 64 64 ALA H H 8.343 . 1 421 64 64 ALA HA H 4.346 . 1 422 64 64 ALA HB H 1.450 . 1 423 64 64 ALA C C 178.462 . 1 424 64 64 ALA CA C 52.805 . 1 425 64 64 ALA CB C 19.335 . 1 426 64 64 ALA N N 123.407 . 1 427 65 65 GLY H H 8.440 . 1 428 65 65 GLY HA2 H 3.996 . 2 429 65 65 GLY HA3 H 3.996 . 2 430 65 65 GLY C C 174.845 . 1 431 65 65 GLY CA C 45.508 . 1 432 65 65 GLY N N 108.114 . 1 433 66 66 GLY H H 8.328 . 1 434 66 66 GLY HA2 H 3.974 . 2 435 66 66 GLY HA3 H 3.974 . 2 436 66 66 GLY C C 174.247 . 1 437 66 66 GLY CA C 45.370 . 1 438 66 66 GLY N N 108.679 . 1 439 67 67 ALA H H 8.219 . 1 440 67 67 ALA HA H 4.355 . 1 441 67 67 ALA HB H 1.439 . 1 442 67 67 ALA C C 178.586 . 1 443 67 67 ALA CA C 52.872 . 1 444 67 67 ALA CB C 19.358 . 1 445 67 67 ALA N N 124.043 . 1 446 68 68 GLY H H 8.570 . 1 447 68 68 GLY HA2 H 3.990 . 2 448 68 68 GLY HA3 H 3.990 . 2 449 68 68 GLY C C 174.542 . 1 450 68 68 GLY CA C 45.473 . 1 451 68 68 GLY N N 108.346 . 1 452 69 69 GLN H H 8.382 . 1 453 69 69 GLN HA H 4.397 . 1 454 69 69 GLN HB2 H 2.034 . 2 455 69 69 GLN HB3 H 2.209 . 2 456 69 69 GLN HG2 H 2.410 . 2 457 69 69 GLN HG3 H 2.410 . 2 458 69 69 GLN C C 176.768 . 1 459 69 69 GLN CA C 56.116 . 1 460 69 69 GLN CB C 29.536 . 1 461 69 69 GLN N N 119.808 . 1 462 70 70 GLY H H 8.638 . 1 463 70 70 GLY HA2 H 4.001 . 2 464 70 70 GLY HA3 H 4.001 . 2 465 70 70 GLY C C 174.633 . 1 466 70 70 GLY CA C 45.430 . 1 467 70 70 GLY N N 110.153 . 1 468 71 71 GLY H H 8.318 . 1 469 71 71 GLY HA2 H 3.938 . 2 470 71 71 GLY HA3 H 3.938 . 2 471 71 71 GLY C C 174.157 . 1 472 71 71 GLY CA C 45.172 . 1 473 71 71 GLY N N 108.605 . 1 474 72 72 TYR H H 8.314 . 1 475 72 72 TYR HA H 4.592 . 1 476 72 72 TYR HB2 H 3.118 . 2 477 72 72 TYR HB3 H 3.023 . 2 478 72 72 TYR C C 176.796 . 1 479 72 72 TYR CA C 58.373 . 1 480 72 72 TYR CB C 38.796 . 1 481 72 72 TYR N N 120.424 . 1 482 73 73 GLY H H 8.592 . 1 483 73 73 GLY HA2 H 3.932 . 2 484 73 73 GLY HA3 H 3.932 . 2 485 73 73 GLY C C 174.709 . 1 486 73 73 GLY CA C 45.500 . 1 487 73 73 GLY N N 111.581 . 1 488 74 74 GLY H H 7.958 . 1 489 74 74 GLY HA2 H 3.994 . 2 490 74 74 GLY HA3 H 3.994 . 2 491 74 74 GLY C C 174.337 . 1 492 74 74 GLY CA C 45.370 . 1 493 74 74 GLY N N 108.227 . 1 494 75 75 LEU H H 8.360 . 1 495 75 75 LEU HA H 4.398 . 1 496 75 75 LEU HB2 H 1.558 . 2 497 75 75 LEU HB3 H 1.558 . 2 498 75 75 LEU C C 178.053 . 1 499 75 75 LEU CA C 55.545 . 1 500 75 75 LEU CB C 42.432 . 1 501 75 75 LEU N N 121.652 . 1 502 76 76 GLY H H 8.636 . 1 503 76 76 GLY HA2 H 4.026 . 2 504 76 76 GLY HA3 H 4.026 . 2 505 76 76 GLY C C 174.460 . 1 506 76 76 GLY CA C 45.456 . 1 507 76 76 GLY N N 109.851 . 1 508 77 77 SER H H 8.345 . 1 509 77 77 SER HA H 4.467 . 1 510 77 77 SER HB2 H 3.900 . 2 511 77 77 SER HB3 H 3.900 . 2 512 77 77 SER C C 174.866 . 1 513 77 77 SER CA C 58.521 . 1 514 77 77 SER CB C 63.962 . 1 515 77 77 SER N N 115.743 . 1 516 78 78 GLN H H 8.631 . 1 517 78 78 GLN HA H 4.408 . 1 518 78 78 GLN HB2 H 2.212 . 2 519 78 78 GLN HB3 H 2.057 . 2 520 78 78 GLN HG2 H 2.422 . 2 521 78 78 GLN HG3 H 2.422 . 2 522 78 78 GLN C C 176.530 . 1 523 78 78 GLN CA C 56.182 . 1 524 78 78 GLN CB C 29.544 . 1 525 78 78 GLN N N 122.151 . 1 526 79 79 GLY H H 8.539 . 1 527 79 79 GLY HA2 H 4.052 . 2 528 79 79 GLY HA3 H 4.052 . 2 529 79 79 GLY C C 174.276 . 1 530 79 79 GLY CA C 45.622 . 1 531 79 79 GLY N N 110.170 . 1 532 80 80 THR H H 8.210 . 1 533 80 80 THR HA H 4.498 . 1 534 80 80 THR HB H 4.371 . 1 535 80 80 THR HG2 H 1.235 . 1 536 80 80 THR C C 174.071 . 1 537 80 80 THR CA C 61.664 . 1 538 80 80 THR CB C 70.336 . 1 539 80 80 THR CG2 C 21.616 . 1 540 80 80 THR N N 112.880 . 1 541 81 81 SER H H 8.155 . 1 542 81 81 SER C C 178.746 . 1 543 81 81 SER CA C 60.241 . 1 544 81 81 SER CB C 64.967 . 1 545 81 81 SER N N 123.568 . 1 stop_ save_ save_repetitive_domain_dragline_silk_dimer _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D HN(CA)CO' '3D (H)C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'repetitive domain spider dragline silk dimer' _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 SER HB2 H 3.917 . 2 2 8 8 SER HB3 H 3.917 . 2 3 8 8 SER C C 174.787 . 1 4 8 8 SER CB C 63.732 . 1 5 9 9 SER H H 8.629 . 1 6 9 9 SER HB2 H 3.957 . 2 7 9 9 SER HB3 H 3.957 . 2 8 9 9 SER C C 175.076 . 1 9 9 9 SER CA C 58.790 . 1 10 9 9 SER CB C 63.906 . 1 11 9 9 SER N N 118.344 . 1 12 10 10 GLY H H 8.516 . 1 13 10 10 GLY HA2 H 4.001 . 2 14 10 10 GLY HA3 H 4.001 . 2 15 10 10 GLY C C 173.908 . 1 16 10 10 GLY CA C 45.274 . 1 17 10 10 GLY N N 110.694 . 1 18 11 11 LEU H H 8.173 . 1 19 11 11 LEU HA H 4.406 . 1 20 11 11 LEU HB2 H 1.587 . 2 21 11 11 LEU HB3 H 1.587 . 2 22 11 11 LEU C C 177.284 . 1 23 11 11 LEU CA C 55.168 . 1 24 11 11 LEU CB C 42.374 . 1 25 11 11 LEU N N 121.570 . 1 26 12 12 VAL H H 8.261 . 1 27 12 12 VAL CA C 59.982 . 1 28 12 12 VAL N N 123.143 . 1 29 13 13 PRO HA H 4.439 . 1 30 13 13 PRO HB2 H 2.324 . 2 31 13 13 PRO HB3 H 2.324 . 2 32 13 13 PRO HG2 H 2.088 . 2 33 13 13 PRO HG3 H 1.952 . 2 34 13 13 PRO C C 176.917 . 1 35 13 13 PRO CA C 63.071 . 1 36 13 13 PRO CB C 32.176 . 1 37 13 13 PRO CG C 27.491 . 1 38 14 14 ARG H H 8.657 . 1 39 14 14 ARG HA H 4.343 . 1 40 14 14 ARG HB2 H 1.863 . 2 41 14 14 ARG HB3 H 1.863 . 2 42 14 14 ARG HG2 H 1.716 . 2 43 14 14 ARG HG3 H 1.716 . 2 44 14 14 ARG HD2 H 3.254 . 2 45 14 14 ARG HD3 H 3.254 . 2 46 14 14 ARG C C 177.153 . 1 47 14 14 ARG CA C 56.269 . 1 48 14 14 ARG CB C 30.964 . 1 49 14 14 ARG CG C 27.098 . 1 50 14 14 ARG CD C 43.459 . 1 51 14 14 ARG N N 122.293 . 1 52 15 15 GLY H H 8.648 . 1 53 15 15 GLY HA2 H 4.054 . 2 54 15 15 GLY HA3 H 4.054 . 2 55 15 15 GLY C C 174.320 . 1 56 15 15 GLY CA C 45.233 . 1 57 15 15 GLY N N 110.755 . 1 58 16 16 SER H H 8.489 . 1 59 16 16 SER HA H 4.482 . 1 60 16 16 SER HB2 H 3.932 . 2 61 16 16 SER HB3 H 3.932 . 2 62 16 16 SER C C 175.340 . 1 63 16 16 SER CA C 58.692 . 1 64 16 16 SER CB C 63.977 . 1 65 16 16 SER N N 115.928 . 1 66 17 17 GLY H H 8.710 . 1 67 17 17 GLY HA2 H 4.018 . 2 68 17 17 GLY HA3 H 4.018 . 2 69 17 17 GLY C C 174.262 . 1 70 17 17 GLY CA C 45.409 . 1 71 17 17 GLY N N 111.133 . 1 72 18 18 MET H H 8.283 . 1 73 18 18 MET HA H 4.493 . 1 74 18 18 MET HB2 H 2.080 . 2 75 18 18 MET HB3 H 2.080 . 2 76 18 18 MET HG2 H 2.590 . 2 77 18 18 MET HG3 H 2.590 . 2 78 18 18 MET C C 176.447 . 1 79 18 18 MET CA C 55.636 . 1 80 18 18 MET CB C 32.967 . 1 81 18 18 MET N N 120.005 . 1 82 19 19 LYS H H 8.553 . 1 83 19 19 LYS HA H 4.338 . 1 84 19 19 LYS HB2 H 1.841 . 2 85 19 19 LYS HB3 H 1.841 . 2 86 19 19 LYS HG2 H 1.481 . 2 87 19 19 LYS HG3 H 1.481 . 2 88 19 19 LYS C C 176.744 . 1 89 19 19 LYS CA C 56.522 . 1 90 19 19 LYS CB C 32.984 . 1 91 19 19 LYS N N 122.859 . 1 92 20 20 GLU H H 8.662 . 1 93 20 20 GLU HA H 4.384 . 1 94 20 20 GLU HB2 H 2.119 . 2 95 20 20 GLU HB3 H 2.004 . 2 96 20 20 GLU HG2 H 2.326 . 2 97 20 20 GLU HG3 H 2.326 . 2 98 20 20 GLU C C 176.898 . 1 99 20 20 GLU CA C 56.767 . 1 100 20 20 GLU CB C 30.451 . 1 101 20 20 GLU CG C 36.509 . 1 102 20 20 GLU N N 122.706 . 1 103 21 21 THR H H 8.337 . 1 104 21 21 THR HA H 4.331 . 1 105 21 21 THR HG2 H 1.289 . 1 106 21 21 THR C C 174.615 . 1 107 21 21 THR CA C 62.078 . 1 108 21 21 THR CB C 70.049 . 1 109 21 21 THR N N 115.850 . 1 110 22 22 ALA H H 8.524 . 1 111 22 22 ALA HA H 4.303 . 1 112 22 22 ALA HB H 1.452 . 1 113 22 22 ALA C C 178.106 . 1 114 22 22 ALA CA C 52.924 . 1 115 22 22 ALA CB C 18.936 . 1 116 22 22 ALA N N 126.331 . 1 117 23 23 ALA H H 8.357 . 1 118 23 23 ALA HA H 4.289 . 1 119 23 23 ALA C C 178.130 . 1 120 23 23 ALA CA C 52.705 . 1 121 23 23 ALA CB C 19.049 . 1 122 23 23 ALA N N 122.820 . 1 123 24 24 ALA H H 8.258 . 1 124 24 24 ALA HA H 4.282 . 1 125 24 24 ALA HB H 1.489 . 1 126 24 24 ALA C C 179.202 . 1 127 24 24 ALA CA C 53.692 . 1 128 24 24 ALA CB C 18.729 . 1 129 24 24 ALA N N 123.148 . 1 130 25 25 LYS H H 8.251 . 1 131 25 25 LYS HA H 4.206 . 1 132 25 25 LYS HB2 H 1.756 . 2 133 25 25 LYS HB3 H 1.756 . 2 134 25 25 LYS HD2 H 1.693 . 2 135 25 25 LYS HD3 H 1.693 . 2 136 25 25 LYS C C 176.676 . 1 137 25 25 LYS CA C 56.650 . 1 138 25 25 LYS N N 118.519 . 1 139 26 26 PHE H H 8.268 . 1 140 26 26 PHE HA H 4.626 . 1 141 26 26 PHE HB2 H 3.190 . 2 142 26 26 PHE HB3 H 3.090 . 2 143 26 26 PHE C C 176.042 . 1 144 26 26 PHE CA C 58.160 . 1 145 26 26 PHE CB C 39.524 . 1 146 26 26 PHE N N 120.707 . 1 147 27 27 GLU H H 8.377 . 1 148 27 27 GLU HA H 4.541 . 1 149 27 27 GLU HG2 H 2.294 . 2 150 27 27 GLU HG3 H 2.294 . 2 151 27 27 GLU C C 176.470 . 1 152 27 27 GLU CA C 56.633 . 1 153 27 27 GLU CB C 30.457 . 1 154 27 27 GLU CG C 36.107 . 1 155 27 27 GLU N N 122.382 . 1 156 28 28 ARG H H 8.363 . 1 157 28 28 ARG HA H 4.296 . 1 158 28 28 ARG HB2 H 1.901 . 2 159 28 28 ARG HB3 H 1.805 . 2 160 28 28 ARG HG2 H 1.688 . 2 161 28 28 ARG HG3 H 1.688 . 2 162 28 28 ARG C C 176.539 . 1 163 28 28 ARG CA C 56.632 . 1 164 28 28 ARG CB C 30.701 . 1 165 28 28 ARG CG C 27.299 . 1 166 28 28 ARG N N 121.641 . 1 167 29 29 GLN H H 8.518 . 1 168 29 29 GLN HA H 4.275 . 1 169 29 29 GLN C C 175.944 . 1 170 29 29 GLN CA C 56.227 . 1 171 29 29 GLN CG C 33.752 . 1 172 29 29 GLN N N 120.912 . 1 173 30 30 HIS H H 8.477 . 1 174 30 30 HIS C C 174.538 . 1 175 30 30 HIS CA C 54.298 . 1 176 30 30 HIS N N 119.966 . 1 177 31 31 MET HA H 4.506 . 1 178 31 31 MET C C 175.769 . 1 179 31 31 MET CA C 55.433 . 1 180 31 31 MET CB C 32.944 . 1 181 31 31 MET CG C 32.032 . 1 182 32 32 ASP H H 8.566 . 1 183 32 32 ASP HA H 4.658 . 1 184 32 32 ASP HB2 H 2.755 . 2 185 32 32 ASP HB3 H 2.651 . 2 186 32 32 ASP C C 175.926 . 1 187 32 32 ASP CA C 54.524 . 1 188 32 32 ASP CB C 41.224 . 1 189 32 32 ASP N N 121.347 . 1 190 33 33 SER H H 8.264 . 1 191 33 33 SER C C 175.963 . 1 192 33 33 SER CA C 56.270 . 1 193 33 33 SER CB C 63.602 . 1 194 33 33 SER N N 116.624 . 1 195 34 34 PRO HA H 4.479 . 1 196 34 34 PRO HB2 H 2.309 . 2 197 34 34 PRO HB3 H 1.926 . 2 198 34 34 PRO C C 176.504 . 1 199 34 34 PRO CA C 63.329 . 1 200 34 34 PRO CB C 32.193 . 1 201 34 34 PRO CG C 27.217 . 1 202 35 35 ASP H H 8.484 . 1 203 35 35 ASP HA H 4.622 . 1 204 35 35 ASP HB2 H 2.777 . 2 205 35 35 ASP HB3 H 2.605 . 2 206 35 35 ASP C C 176.339 . 1 207 35 35 ASP CA C 54.291 . 1 208 35 35 ASP CB C 41.094 . 1 209 35 35 ASP N N 120.219 . 1 210 36 36 LEU H H 8.372 . 1 211 36 36 LEU HA H 4.397 . 1 212 36 36 LEU C C 178.346 . 1 213 36 36 LEU CA C 55.378 . 1 214 36 36 LEU CB C 42.296 . 1 215 36 36 LEU CG C 27.001 . 1 216 36 36 LEU N N 123.439 . 1 217 37 37 GLY H H 8.644 . 1 218 37 37 GLY HA2 H 4.074 . 2 219 37 37 GLY HA3 H 4.074 . 2 220 37 37 GLY C C 174.307 . 1 221 37 37 GLY CA C 45.411 . 1 222 37 37 GLY N N 109.841 . 1 223 38 38 THR H H 8.212 . 1 224 38 38 THR HA H 4.342 . 1 225 38 38 THR HG2 H 1.230 . 1 226 38 38 THR C C 174.666 . 1 227 38 38 THR CA C 61.607 . 1 228 38 38 THR CB C 70.103 . 1 229 38 38 THR CG2 C 21.790 . 1 230 38 38 THR N N 113.140 . 1 231 39 39 ASP H H 8.603 . 1 232 39 39 ASP HA H 4.671 . 1 233 39 39 ASP HB2 H 2.769 . 2 234 39 39 ASP HB3 H 2.690 . 2 235 39 39 ASP C C 176.300 . 1 236 39 39 ASP CA C 54.687 . 1 237 39 39 ASP CB C 41.251 . 1 238 39 39 ASP N N 122.532 . 1 239 40 40 ASP H H 8.379 . 1 240 40 40 ASP HA H 4.606 . 1 241 40 40 ASP HB2 H 2.739 . 2 242 40 40 ASP C C 176.610 . 1 243 40 40 ASP CA C 54.976 . 1 244 40 40 ASP CB C 41.254 . 1 245 40 40 ASP N N 120.642 . 1 246 41 41 ASP H H 8.393 . 1 247 41 41 ASP HA H 4.587 . 1 248 41 41 ASP HB2 H 2.753 . 2 249 41 41 ASP HB3 H 2.673 . 2 250 41 41 ASP C C 176.751 . 1 251 41 41 ASP CA C 55.201 . 1 252 41 41 ASP CB C 41.096 . 1 253 41 41 ASP N N 121.113 . 1 254 42 42 ASP H H 8.421 . 1 255 42 42 ASP HA H 4.549 . 1 256 42 42 ASP HB2 H 2.761 . 2 257 42 42 ASP HB3 H 2.761 . 2 258 42 42 ASP C C 177.679 . 1 259 42 42 ASP CA C 55.503 . 1 260 42 42 ASP CB C 40.796 . 1 261 42 42 ASP N N 120.916 . 1 262 43 43 LYS H H 8.299 . 1 263 43 43 LYS HA H 4.212 . 1 264 43 43 LYS C C 177.903 . 1 265 43 43 LYS CA C 57.679 . 1 266 43 43 LYS CB C 32.432 . 1 267 43 43 LYS CG C 25.019 . 1 268 43 43 LYS N N 121.419 . 1 269 44 44 ALA H H 8.238 . 1 270 44 44 ALA HA H 4.263 . 1 271 44 44 ALA HB H 1.411 . 1 272 44 44 ALA C C 178.215 . 1 273 44 44 ALA CA C 52.965 . 1 274 44 44 ALA CB C 19.169 . 1 275 44 44 ALA N N 123.177 . 1 276 45 45 MET H H 8.235 . 1 277 45 45 MET CA C 56.739 . 1 278 45 45 MET N N 120.066 . 1 279 46 46 ALA HA H 4.285 . 1 280 46 46 ALA HB H 1.479 . 1 281 46 46 ALA C C 178.524 . 1 282 46 46 ALA CA C 53.356 . 1 283 46 46 ALA CB C 18.765 . 1 284 47 47 ALA H H 8.249 . 1 285 47 47 ALA HA H 4.330 . 1 286 47 47 ALA HB H 1.488 . 1 287 47 47 ALA C C 178.496 . 1 288 47 47 ALA CA C 53.286 . 1 289 47 47 ALA CB C 18.930 . 1 290 47 47 ALA N N 122.160 . 1 291 48 48 SER H H 8.202 . 1 292 48 48 SER HA H 4.447 . 1 293 48 48 SER HB2 H 3.989 . 2 294 48 48 SER HB3 H 3.989 . 2 295 48 48 SER C C 175.498 . 1 296 48 48 SER CA C 58.955 . 1 297 48 48 SER CB C 63.828 . 1 298 48 48 SER N N 113.907 . 1 299 49 49 GLY H H 8.374 . 1 300 49 49 GLY HA2 H 4.027 . 2 301 49 49 GLY HA3 H 4.027 . 2 302 49 49 GLY C C 174.502 . 1 303 49 49 GLY CA C 45.548 . 1 304 49 49 GLY N N 110.408 . 1 305 50 50 ARG H H 8.370 . 1 306 50 50 ARG HA H 4.397 . 1 307 50 50 ARG HB2 H 1.816 . 2 308 50 50 ARG HB3 H 1.816 . 2 309 50 50 ARG HD2 H 3.236 . 2 310 50 50 ARG HD3 H 3.236 . 2 311 50 50 ARG C C 177.094 . 1 312 50 50 ARG CA C 56.301 . 1 313 50 50 ARG CB C 30.712 . 1 314 50 50 ARG CG C 27.086 . 1 315 50 50 ARG N N 120.537 . 1 316 51 51 GLY H H 8.634 . 1 317 51 51 GLY HA2 H 3.937 . 2 318 51 51 GLY HA3 H 3.937 . 2 319 51 51 GLY C C 174.702 . 1 320 51 51 GLY CA C 45.385 . 1 321 51 51 GLY N N 109.888 . 1 322 52 52 GLY H H 7.969 . 1 323 52 52 GLY HA2 H 3.997 . 2 324 52 52 GLY HA3 H 3.997 . 2 325 52 52 GLY C C 174.373 . 1 326 52 52 GLY CA C 45.254 . 1 327 52 52 GLY N N 108.209 . 1 328 53 53 LEU H H 8.365 . 1 329 53 53 LEU HA H 4.397 . 1 330 53 53 LEU HB2 H 1.702 . 2 331 53 53 LEU HB3 H 1.702 . 2 332 53 53 LEU HD1 H 0.950 . 1 333 53 53 LEU C C 178.382 . 1 334 53 53 LEU CA C 55.519 . 1 335 53 53 LEU CB C 42.370 . 1 336 53 53 LEU N N 121.629 . 1 337 54 54 GLY H H 8.648 . 1 338 54 54 GLY HA2 H 4.006 . 2 339 54 54 GLY HA3 H 4.006 . 2 340 54 54 GLY C C 174.702 . 1 341 54 54 GLY CA C 45.399 . 1 342 54 54 GLY N N 109.865 . 1 343 55 55 GLY H H 8.380 . 1 344 55 55 GLY HA2 H 4.011 . 2 345 55 55 GLY HA3 H 4.011 . 2 346 55 55 GLY C C 174.531 . 1 347 55 55 GLY CA C 45.360 . 1 348 55 55 GLY N N 108.644 . 1 349 56 56 GLN H H 8.468 . 1 350 56 56 GLN HA H 4.397 . 1 351 56 56 GLN HB2 H 2.214 . 2 352 56 56 GLN HB3 H 2.074 . 2 353 56 56 GLN HG2 H 2.420 . 2 354 56 56 GLN HG3 H 2.420 . 2 355 56 56 GLN C C 176.780 . 1 356 56 56 GLN CA C 56.064 . 1 357 56 56 GLN CB C 29.524 . 1 358 56 56 GLN CG C 33.905 . 1 359 56 56 GLN N N 119.705 . 1 360 57 57 GLY H H 8.637 . 1 361 57 57 GLY HA2 H 3.975 . 2 362 57 57 GLY HA3 H 3.975 . 2 363 57 57 GLY C C 174.271 . 1 364 57 57 GLY CA C 45.378 . 1 365 57 57 GLY N N 110.177 . 1 366 58 58 ALA H H 8.221 . 1 367 58 58 ALA HA H 4.357 . 1 368 58 58 ALA HB H 1.436 . 1 369 58 58 ALA C C 178.604 . 1 370 58 58 ALA CA C 52.890 . 1 371 58 58 ALA CB C 19.224 . 1 372 58 58 ALA N N 124.021 . 1 373 59 59 GLY H H 8.571 . 1 374 59 59 GLY HA2 H 3.991 . 2 375 59 59 GLY HA3 H 3.991 . 2 376 59 59 GLY C C 174.183 . 1 377 59 59 GLY CA C 45.369 . 1 378 59 59 GLY N N 108.318 . 1 379 60 60 ALA H H 8.405 . 1 380 60 60 ALA HA H 4.315 . 1 381 60 60 ALA C C 178.591 . 1 382 60 60 ALA CA C 52.797 . 1 383 60 60 ALA CB C 19.239 . 1 384 60 60 ALA N N 123.979 . 1 385 61 61 ALA H H 8.343 . 1 386 61 61 ALA HA H 4.300 . 1 387 61 61 ALA C C 177.996 . 1 388 61 61 ALA CA C 52.556 . 1 389 61 61 ALA CB C 19.190 . 1 390 61 61 ALA N N 123.392 . 1 391 62 62 ALA H H 8.362 . 1 392 62 62 ALA HB H 1.425 . 1 393 62 62 ALA C C 178.009 . 1 394 62 62 ALA CA C 52.734 . 1 395 62 62 ALA N N 123.102 . 1 396 63 63 ALA H H 8.297 . 1 397 63 63 ALA HA H 4.304 . 1 398 63 63 ALA HB H 1.430 . 1 399 63 63 ALA C C 177.841 . 1 400 63 63 ALA CA C 52.507 . 1 401 63 63 ALA CB C 19.139 . 1 402 63 63 ALA N N 123.129 . 1 403 64 64 ALA H H 8.338 . 1 404 64 64 ALA HA H 4.354 . 1 405 64 64 ALA HB H 1.455 . 1 406 64 64 ALA C C 178.490 . 1 407 64 64 ALA CA C 52.795 . 1 408 64 64 ALA CB C 19.202 . 1 409 64 64 ALA N N 123.345 . 1 410 65 65 GLY H H 8.441 . 1 411 65 65 GLY HA2 H 3.988 . 2 412 65 65 GLY HA3 H 3.988 . 2 413 65 65 GLY C C 174.865 . 1 414 65 65 GLY CA C 45.474 . 1 415 65 65 GLY N N 108.091 . 1 416 66 66 GLY H H 8.329 . 1 417 66 66 GLY HA2 H 3.990 . 2 418 66 66 GLY HA3 H 3.990 . 2 419 66 66 GLY C C 174.221 . 1 420 66 66 GLY CA C 45.231 . 1 421 66 66 GLY N N 108.689 . 1 422 67 67 ALA H H 8.389 . 1 423 67 67 ALA HA H 4.357 . 1 424 67 67 ALA HB H 1.436 . 1 425 67 67 ALA C C 178.617 . 1 426 67 67 ALA CA C 52.860 . 1 427 67 67 ALA CB C 19.239 . 1 428 67 67 ALA N N 123.840 . 1 429 68 68 GLY H H 8.572 . 1 430 68 68 GLY HA2 H 3.991 . 2 431 68 68 GLY HA3 H 3.991 . 2 432 68 68 GLY C C 174.539 . 1 433 68 68 GLY CA C 45.461 . 1 434 68 68 GLY N N 108.316 . 1 435 69 69 GLN H H 8.384 . 1 436 69 69 GLN HA H 4.397 . 1 437 69 69 GLN HB2 H 2.207 . 2 438 69 69 GLN HB3 H 2.042 . 2 439 69 69 GLN HG2 H 2.407 . 2 440 69 69 GLN HG3 H 2.407 . 2 441 69 69 GLN C C 176.777 . 1 442 69 69 GLN CA C 56.012 . 1 443 69 69 GLN CB C 29.514 . 1 444 69 69 GLN CG C 33.870 . 1 445 69 69 GLN N N 119.767 . 1 446 70 70 GLY H H 8.638 . 1 447 70 70 GLY HA2 H 3.998 . 2 448 70 70 GLY HA3 H 3.998 . 2 449 70 70 GLY C C 174.654 . 1 450 70 70 GLY CA C 45.358 . 1 451 70 70 GLY N N 110.113 . 1 452 71 71 GLY H H 8.321 . 1 453 71 71 GLY HA2 H 3.940 . 2 454 71 71 GLY HA3 H 3.940 . 2 455 71 71 GLY C C 174.170 . 1 456 71 71 GLY CA C 45.110 . 1 457 71 71 GLY N N 108.576 . 1 458 72 72 TYR H H 8.317 . 1 459 72 72 TYR HA H 4.600 . 1 460 72 72 TYR HB2 H 3.117 . 2 461 72 72 TYR HB3 H 3.018 . 2 462 72 72 TYR C C 176.805 . 1 463 72 72 TYR CA C 58.305 . 1 464 72 72 TYR CB C 38.738 . 1 465 72 72 TYR N N 120.392 . 1 466 73 73 GLY H H 8.590 . 1 467 73 73 GLY HA2 H 3.939 . 2 468 73 73 GLY HA3 H 3.939 . 2 469 73 73 GLY C C 174.710 . 1 470 73 73 GLY CA C 45.416 . 1 471 73 73 GLY N N 111.536 . 1 472 74 74 GLY H H 7.968 . 1 473 74 74 GLY HA2 H 4.002 . 2 474 74 74 GLY HA3 H 4.002 . 2 475 74 74 GLY C C 174.370 . 1 476 74 74 GLY CA C 45.201 . 1 477 74 74 GLY N N 108.213 . 1 478 75 75 LEU H H 8.364 . 1 479 75 75 LEU HA H 4.400 . 1 480 75 75 LEU HB2 H 1.687 . 2 481 75 75 LEU HB3 H 1.687 . 2 482 75 75 LEU HD1 H 0.950 . 1 483 75 75 LEU C C 178.384 . 1 484 75 75 LEU CA C 55.493 . 1 485 75 75 LEU CB C 42.379 . 1 486 75 75 LEU CG C 27.068 . 1 487 75 75 LEU N N 121.626 . 1 488 76 76 GLY H H 8.649 . 1 489 76 76 GLY HA2 H 4.027 . 2 490 76 76 GLY HA3 H 4.027 . 2 491 76 76 GLY C C 174.518 . 1 492 76 76 GLY CA C 45.327 . 1 493 76 76 GLY N N 109.771 . 1 494 77 77 SER H H 8.349 . 1 495 77 77 SER HA H 4.475 . 1 496 77 77 SER HB2 H 3.907 . 2 497 77 77 SER HB3 H 3.907 . 2 498 77 77 SER C C 174.888 . 1 499 77 77 SER CA C 58.524 . 1 500 77 77 SER CB C 63.843 . 1 501 77 77 SER N N 115.741 . 1 502 78 78 GLN H H 8.631 . 1 503 78 78 GLN HA H 4.394 . 1 504 78 78 GLN HB2 H 2.215 . 2 505 78 78 GLN HB3 H 2.063 . 2 506 78 78 GLN HG2 H 2.422 . 2 507 78 78 GLN HG3 H 2.422 . 2 508 78 78 GLN C C 176.627 . 1 509 78 78 GLN CA C 56.209 . 1 510 78 78 GLN CB C 29.444 . 1 511 78 78 GLN CG C 33.905 . 1 512 78 78 GLN N N 122.080 . 1 513 79 79 GLY H H 8.512 . 1 514 79 79 GLY HA2 H 4.069 . 2 515 79 79 GLY HA3 H 4.069 . 2 516 79 79 GLY C C 174.637 . 1 517 79 79 GLY CA C 45.480 . 1 518 79 79 GLY N N 109.658 . 1 519 80 80 THR H H 8.255 . 1 520 80 80 THR HA H 4.440 . 1 521 80 80 THR HB H 4.352 . 1 522 80 80 THR C C 175.138 . 1 523 80 80 THR CA C 61.862 . 1 524 80 80 THR CB C 69.855 . 1 525 80 80 THR N N 113.038 . 1 526 81 81 SER H H 8.523 . 1 527 81 81 SER HA H 4.495 . 1 528 81 81 SER HB2 H 3.957 . 2 529 81 81 SER HB3 H 3.957 . 2 530 81 81 SER C C 175.217 . 1 531 81 81 SER CA C 58.798 . 1 532 81 81 SER CB C 63.829 . 1 533 81 81 SER N N 118.050 . 1 534 82 82 GLY H H 8.555 . 1 535 82 82 GLY C C 174.444 . 1 536 82 82 GLY CA C 45.335 . 1 537 82 82 GLY N N 110.770 . 1 stop_ save_ save_repetitive_domain_dragline_silk_trimer _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D HN(CA)CO' '3D (H)C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'repetitive domain spider dragline silk trimer' _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 SER HB2 H 3.915 . 2 2 8 8 SER HB3 H 3.915 . 2 3 8 8 SER C C 174.772 . 1 4 9 9 SER H H 8.637 . 1 5 9 9 SER HB2 H 3.960 . 2 6 9 9 SER HB3 H 3.960 . 2 7 9 9 SER C C 175.089 . 1 8 9 9 SER CA C 58.744 . 1 9 9 9 SER CB C 63.726 . 1 10 9 9 SER N N 118.542 . 1 11 10 10 GLY H H 8.517 . 1 12 10 10 GLY HA2 H 3.999 . 2 13 10 10 GLY HA3 H 3.999 . 2 14 10 10 GLY C C 173.865 . 1 15 10 10 GLY CA C 45.246 . 1 16 10 10 GLY N N 110.773 . 1 17 11 11 LEU H H 8.184 . 1 18 11 11 LEU HA H 4.472 . 1 19 11 11 LEU HB2 H 1.563 . 2 20 11 11 LEU HB3 H 1.563 . 2 21 11 11 LEU C C 177.266 . 1 22 11 11 LEU N N 121.584 . 1 23 12 12 VAL H H 8.265 . 1 24 12 12 VAL N N 123.149 . 1 25 13 13 PRO HA H 4.437 . 1 26 13 13 PRO HB2 H 2.344 . 2 27 13 13 PRO HB3 H 2.344 . 2 28 13 13 PRO HG2 H 2.075 . 2 29 13 13 PRO C C 176.953 . 1 30 13 13 PRO CA C 63.097 . 1 31 13 13 PRO CB C 32.166 . 1 32 13 13 PRO CG C 27.392 . 1 33 14 14 ARG H H 8.649 . 1 34 14 14 ARG HB2 H 1.894 . 2 35 14 14 ARG HB3 H 1.894 . 2 36 14 14 ARG HD2 H 3.254 . 2 37 14 14 ARG HD3 H 3.254 . 2 38 14 14 ARG C C 177.154 . 1 39 14 14 ARG CB C 30.854 . 1 40 14 14 ARG CG C 26.987 . 1 41 14 14 ARG CD C 43.396 . 1 42 14 14 ARG N N 122.274 . 1 43 15 15 GLY H H 8.643 . 1 44 15 15 GLY HA2 H 4.053 . 2 45 15 15 GLY HA3 H 4.053 . 2 46 15 15 GLY C C 174.299 . 1 47 15 15 GLY CA C 45.196 . 1 48 15 15 GLY N N 110.890 . 1 49 16 16 SER H H 8.493 . 1 50 16 16 SER HA H 4.471 . 1 51 16 16 SER HB2 H 3.940 . 2 52 16 16 SER HB3 H 3.940 . 2 53 16 16 SER C C 175.305 . 1 54 16 16 SER CA C 58.733 . 1 55 16 16 SER CB C 63.898 . 1 56 16 16 SER N N 115.953 . 1 57 17 17 GLY H H 8.711 . 1 58 17 17 GLY HA2 H 4.018 . 2 59 17 17 GLY HA3 H 4.018 . 2 60 17 17 GLY C C 174.256 . 1 61 17 17 GLY CA C 45.441 . 1 62 17 17 GLY N N 111.134 . 1 63 18 18 MET H H 8.276 . 1 64 18 18 MET HA H 4.516 . 1 65 18 18 MET HB2 H 2.089 . 2 66 18 18 MET HB3 H 2.089 . 2 67 18 18 MET HG2 H 2.598 . 2 68 18 18 MET HG3 H 2.598 . 2 69 18 18 MET C C 176.447 . 1 70 18 18 MET CA C 55.539 . 1 71 18 18 MET CB C 32.955 . 1 72 18 18 MET N N 120.031 . 1 73 19 19 LYS H H 8.548 . 1 74 19 19 LYS HA H 4.332 . 1 75 19 19 LYS HB2 H 1.837 . 2 76 19 19 LYS HB3 H 1.837 . 2 77 19 19 LYS HG2 H 1.486 . 2 78 19 19 LYS HG3 H 1.486 . 2 79 19 19 LYS HE2 H 2.870 . 2 80 19 19 LYS HE3 H 2.870 . 2 81 19 19 LYS C C 176.745 . 1 82 19 19 LYS CA C 56.406 . 1 83 19 19 LYS N N 123.014 . 1 84 20 20 GLU H H 8.673 . 1 85 20 20 GLU HA H 4.377 . 1 86 20 20 GLU C C 176.894 . 1 87 20 20 GLU CA C 56.812 . 1 88 20 20 GLU CB C 30.464 . 1 89 20 20 GLU CG C 36.347 . 1 90 20 20 GLU N N 122.774 . 1 91 21 21 THR H H 8.324 . 1 92 21 21 THR HA H 4.298 . 1 93 21 21 THR C C 174.609 . 1 94 21 21 THR CB C 70.056 . 1 95 21 21 THR N N 115.962 . 1 96 22 22 ALA H H 8.529 . 1 97 22 22 ALA HA H 4.304 . 1 98 22 22 ALA C C 178.034 . 1 99 22 22 ALA CA C 52.757 . 1 100 22 22 ALA CB C 19.025 . 1 101 22 22 ALA N N 126.290 . 1 102 23 23 ALA H H 8.371 . 1 103 23 23 ALA HA H 4.280 . 1 104 23 23 ALA C C 178.092 . 1 105 23 23 ALA CA C 52.750 . 1 106 23 23 ALA CB C 19.087 . 1 107 23 23 ALA N N 123.055 . 1 108 24 24 ALA H H 8.244 . 1 109 24 24 ALA HA H 4.286 . 1 110 24 24 ALA HB H 1.485 . 1 111 24 24 ALA C C 179.190 . 1 112 24 24 ALA CA C 53.638 . 1 113 24 24 ALA CB C 18.613 . 1 114 24 24 ALA N N 123.151 . 1 115 25 25 LYS H H 8.248 . 1 116 25 25 LYS N N 118.548 . 1 117 26 26 PHE HA H 4.626 . 1 118 26 26 PHE HB2 H 3.100 . 2 119 26 26 PHE HB3 H 3.100 . 2 120 26 26 PHE C C 176.048 . 1 121 26 26 PHE CA C 58.100 . 1 122 27 27 GLU H H 8.360 . 1 123 27 27 GLU HA H 4.515 . 1 124 27 27 GLU CA C 56.609 . 1 125 27 27 GLU N N 122.524 . 1 126 28 28 ARG H H 8.362 . 1 127 28 28 ARG HA H 4.281 . 1 128 28 28 ARG C C 176.532 . 1 129 28 28 ARG CA C 56.588 . 1 130 28 28 ARG N N 121.535 . 1 131 29 29 GLN H H 8.521 . 1 132 29 29 GLN C C 175.926 . 1 133 29 29 GLN N N 120.871 . 1 134 30 30 HIS H H 8.482 . 1 135 30 30 HIS N N 120.014 . 1 136 31 31 MET HA H 4.469 . 1 137 31 31 MET C C 175.755 . 1 138 31 31 MET CA C 55.409 . 1 139 31 31 MET CB C 32.908 . 1 140 31 31 MET CG C 31.906 . 1 141 32 32 ASP H H 8.595 . 1 142 32 32 ASP HA H 4.647 . 1 143 32 32 ASP HB2 H 2.749 . 2 144 32 32 ASP HB3 H 2.658 . 2 145 32 32 ASP C C 175.899 . 1 146 32 32 ASP CA C 54.518 . 1 147 32 32 ASP CB C 41.085 . 1 148 32 32 ASP N N 121.399 . 1 149 33 33 SER H H 8.263 . 1 150 33 33 SER CA C 56.270 . 1 151 33 33 SER N N 116.662 . 1 152 34 34 PRO HA H 4.483 . 1 153 34 34 PRO HB2 H 2.302 . 2 154 34 34 PRO HB3 H 2.302 . 2 155 34 34 PRO HG2 H 1.955 . 2 156 34 34 PRO HG3 H 1.955 . 2 157 34 34 PRO C C 176.493 . 1 158 34 34 PRO CA C 63.354 . 1 159 34 34 PRO CB C 32.127 . 1 160 34 34 PRO CG C 27.183 . 1 161 34 34 PRO CD C 50.627 . 1 162 35 35 ASP H H 8.481 . 1 163 35 35 ASP HA H 4.616 . 1 164 35 35 ASP HB2 H 2.772 . 2 165 35 35 ASP HB3 H 2.623 . 2 166 35 35 ASP C C 176.311 . 1 167 35 35 ASP CA C 54.288 . 1 168 35 35 ASP CB C 41.024 . 1 169 35 35 ASP N N 120.288 . 1 170 36 36 LEU H H 8.378 . 1 171 36 36 LEU HA H 4.398 . 1 172 36 36 LEU HB2 H 1.680 . 2 173 36 36 LEU HB3 H 1.680 . 2 174 36 36 LEU CA C 55.455 . 1 175 36 36 LEU N N 123.403 . 1 176 37 37 GLY H H 8.648 . 1 177 37 37 GLY HA2 H 4.075 . 2 178 37 37 GLY HA3 H 4.075 . 2 179 37 37 GLY C C 174.266 . 1 180 37 37 GLY CA C 45.355 . 1 181 37 37 GLY N N 109.777 . 1 182 38 38 THR H H 8.211 . 1 183 38 38 THR HA H 4.339 . 1 184 38 38 THR C C 174.650 . 1 185 38 38 THR CA C 61.605 . 1 186 38 38 THR CB C 70.074 . 1 187 38 38 THR N N 113.195 . 1 188 39 39 ASP H H 8.601 . 1 189 39 39 ASP HA H 4.681 . 1 190 39 39 ASP C C 176.260 . 1 191 39 39 ASP CA C 54.675 . 1 192 39 39 ASP N N 122.550 . 1 193 40 40 ASP H H 8.381 . 1 194 40 40 ASP HA H 4.609 . 1 195 40 40 ASP HB2 H 2.736 . 2 196 40 40 ASP HB3 H 2.646 . 2 197 40 40 ASP C C 176.605 . 1 198 40 40 ASP CA C 54.948 . 1 199 40 40 ASP CB C 41.150 . 1 200 40 40 ASP N N 120.682 . 1 201 41 41 ASP H H 8.393 . 1 202 41 41 ASP HA H 4.579 . 1 203 41 41 ASP HB2 H 2.745 . 2 204 41 41 ASP HB3 H 2.745 . 2 205 41 41 ASP C C 176.739 . 1 206 41 41 ASP CA C 55.190 . 1 207 41 41 ASP CB C 41.151 . 1 208 41 41 ASP N N 121.098 . 1 209 42 42 ASP H H 8.418 . 1 210 42 42 ASP HA H 4.557 . 1 211 42 42 ASP HB2 H 2.758 . 2 212 42 42 ASP HB3 H 2.758 . 2 213 42 42 ASP C C 177.664 . 1 214 42 42 ASP CA C 55.447 . 1 215 42 42 ASP CB C 40.725 . 1 216 42 42 ASP N N 120.944 . 1 217 43 43 LYS H H 8.299 . 1 218 43 43 LYS HA H 4.205 . 1 219 43 43 LYS C C 178.028 . 1 220 43 43 LYS CA C 57.597 . 1 221 43 43 LYS CB C 32.281 . 1 222 43 43 LYS CG C 24.915 . 1 223 43 43 LYS N N 121.399 . 1 224 44 44 ALA H H 8.226 . 1 225 44 44 ALA HA H 4.250 . 1 226 44 44 ALA C C 178.246 . 1 227 44 44 ALA CA C 52.811 . 1 228 44 44 ALA CB C 19.163 . 1 229 44 44 ALA N N 123.150 . 1 230 45 45 MET H H 8.202 . 1 231 45 45 MET CA C 56.748 . 1 232 45 45 MET N N 120.155 . 1 233 46 46 ALA HA H 4.297 . 1 234 46 46 ALA HB H 1.481 . 1 235 46 46 ALA C C 178.547 . 1 236 46 46 ALA CA C 53.331 . 1 237 46 46 ALA CB C 18.739 . 1 238 47 47 ALA H H 8.248 . 1 239 47 47 ALA HA H 4.325 . 1 240 47 47 ALA HB H 1.484 . 1 241 47 47 ALA C C 178.482 . 1 242 47 47 ALA CA C 53.223 . 1 243 47 47 ALA CB C 18.804 . 1 244 47 47 ALA N N 122.153 . 1 245 48 48 SER H H 8.199 . 1 246 48 48 SER N N 113.864 . 1 247 49 49 GLY HA2 H 4.022 . 2 248 49 49 GLY HA3 H 4.022 . 2 249 49 49 GLY C C 174.388 . 1 250 49 49 GLY CA C 45.406 . 1 251 50 50 ARG H H 8.371 . 1 252 50 50 ARG HA H 4.392 . 1 253 50 50 ARG HD2 H 3.221 . 2 254 50 50 ARG HD3 H 3.221 . 2 255 50 50 ARG C C 177.111 . 1 256 50 50 ARG CA C 56.236 . 1 257 50 50 ARG CB C 30.751 . 1 258 50 50 ARG N N 120.495 . 1 259 51 51 GLY H H 8.643 . 1 260 51 51 GLY HA2 H 3.933 . 2 261 51 51 GLY HA3 H 3.933 . 2 262 51 51 GLY C C 174.676 . 1 263 51 51 GLY CA C 45.379 . 1 264 51 51 GLY N N 110.046 . 1 265 52 52 GLY H H 7.969 . 1 266 52 52 GLY HA2 H 4.003 . 2 267 52 52 GLY HA3 H 4.003 . 2 268 52 52 GLY C C 174.348 . 1 269 52 52 GLY CA C 45.144 . 1 270 52 52 GLY N N 108.241 . 1 271 53 53 LEU H H 8.365 . 1 272 53 53 LEU HA H 4.392 . 1 273 53 53 LEU HB2 H 1.680 . 2 274 53 53 LEU HB3 H 1.680 . 2 275 53 53 LEU HD1 H 0.946 . 1 276 53 53 LEU C C 178.378 . 1 277 53 53 LEU CA C 55.492 . 1 278 53 53 LEU CB C 42.352 . 1 279 53 53 LEU N N 121.650 . 1 280 54 54 GLY H H 8.648 . 1 281 54 54 GLY HA2 H 4.002 . 2 282 54 54 GLY HA3 H 4.002 . 2 283 54 54 GLY C C 174.683 . 1 284 54 54 GLY CA C 45.411 . 1 285 54 54 GLY N N 109.846 . 1 286 55 55 GLY H H 8.385 . 1 287 55 55 GLY HA2 H 4.008 . 2 288 55 55 GLY HA3 H 4.008 . 2 289 55 55 GLY C C 174.490 . 1 290 55 55 GLY CA C 45.316 . 1 291 55 55 GLY N N 108.686 . 1 292 56 56 GLN H H 8.468 . 1 293 56 56 GLN HA H 4.391 . 1 294 56 56 GLN HB2 H 2.210 . 2 295 56 56 GLN HG2 H 2.426 . 2 296 56 56 GLN HG3 H 2.426 . 2 297 56 56 GLN C C 176.749 . 1 298 56 56 GLN CA C 55.992 . 1 299 56 56 GLN CB C 29.441 . 1 300 56 56 GLN CG C 33.843 . 1 301 56 56 GLN N N 119.733 . 1 302 57 57 GLY H H 8.636 . 1 303 57 57 GLY HA2 H 3.970 . 2 304 57 57 GLY HA3 H 3.970 . 2 305 57 57 GLY C C 174.241 . 1 306 57 57 GLY CA C 45.263 . 1 307 57 57 GLY N N 110.222 . 1 308 58 58 ALA H H 8.219 . 1 309 58 58 ALA HA H 4.350 . 1 310 58 58 ALA C C 178.608 . 1 311 58 58 ALA CA C 52.762 . 1 312 58 58 ALA CB C 19.274 . 1 313 58 58 ALA N N 123.999 . 1 314 59 59 GLY H H 8.569 . 1 315 59 59 GLY HA2 H 3.995 . 2 316 59 59 GLY HA3 H 3.995 . 2 317 59 59 GLY C C 174.105 . 1 318 59 59 GLY CA C 45.253 . 1 319 59 59 GLY N N 108.341 . 1 320 60 60 ALA H H 8.400 . 1 321 60 60 ALA HA H 4.319 . 1 322 60 60 ALA C C 177.810 . 1 323 60 60 ALA CA C 52.684 . 1 324 60 60 ALA CB C 19.270 . 1 325 60 60 ALA N N 124.007 . 1 326 61 61 ALA H H 8.343 . 1 327 61 61 ALA HA H 4.309 . 1 328 61 61 ALA HB H 1.417 . 1 329 61 61 ALA C C 178.034 . 1 330 61 61 ALA CA C 52.650 . 1 331 61 61 ALA CB C 19.183 . 1 332 61 61 ALA N N 123.376 . 1 333 62 62 ALA H H 8.378 . 1 334 62 62 ALA HA H 4.291 . 1 335 62 62 ALA HB H 1.423 . 1 336 62 62 ALA C C 177.961 . 1 337 62 62 ALA CA C 52.678 . 1 338 62 62 ALA CB C 19.030 . 1 339 62 62 ALA N N 123.099 . 1 340 63 63 ALA H H 8.278 . 1 341 63 63 ALA HA H 4.316 . 1 342 63 63 ALA C C 177.810 . 1 343 63 63 ALA CA C 52.554 . 1 344 63 63 ALA CB C 19.085 . 1 345 63 63 ALA N N 123.125 . 1 346 64 64 ALA H H 8.343 . 1 347 64 64 ALA HA H 4.347 . 1 348 64 64 ALA HB H 1.453 . 1 349 64 64 ALA C C 178.477 . 1 350 64 64 ALA CA C 52.672 . 1 351 64 64 ALA CB C 19.137 . 1 352 64 64 ALA N N 123.374 . 1 353 65 65 GLY H H 8.439 . 1 354 65 65 GLY HA2 H 3.994 . 2 355 65 65 GLY HA3 H 3.994 . 2 356 65 65 GLY C C 174.838 . 1 357 65 65 GLY CA C 45.383 . 1 358 65 65 GLY N N 108.110 . 1 359 66 66 GLY H H 8.330 . 1 360 66 66 GLY HA2 H 3.982 . 2 361 66 66 GLY HA3 H 3.982 . 2 362 66 66 GLY C C 174.125 . 1 363 66 66 GLY CA C 45.229 . 1 364 66 66 GLY N N 108.649 . 1 365 67 67 ALA H H 8.358 . 1 366 67 67 ALA HA H 4.350 . 1 367 67 67 ALA HB H 1.432 . 1 368 67 67 ALA C C 178.605 . 1 369 67 67 ALA CA C 52.778 . 1 370 67 67 ALA CB C 19.253 . 1 371 67 67 ALA N N 123.929 . 1 372 68 68 GLY H H 8.571 . 1 373 68 68 GLY HA2 H 3.988 . 2 374 68 68 GLY HA3 H 3.988 . 2 375 68 68 GLY C C 174.505 . 1 376 68 68 GLY CA C 45.358 . 1 377 68 68 GLY N N 108.353 . 1 378 69 69 GLN H H 8.385 . 1 379 69 69 GLN HA H 4.392 . 1 380 69 69 GLN HB2 H 2.030 . 2 381 69 69 GLN HB3 H 2.199 . 2 382 69 69 GLN HG2 H 2.395 . 2 383 69 69 GLN HG3 H 2.395 . 2 384 69 69 GLN C C 176.755 . 1 385 69 69 GLN CA C 55.963 . 1 386 69 69 GLN CB C 29.394 . 1 387 69 69 GLN CG C 33.813 . 1 388 69 69 GLN N N 119.776 . 1 389 70 70 GLY H H 8.640 . 1 390 70 70 GLY HA2 H 4.003 . 2 391 70 70 GLY HA3 H 4.003 . 2 392 70 70 GLY C C 174.619 . 1 393 70 70 GLY CA C 45.379 . 1 394 70 70 GLY N N 110.104 . 1 395 71 71 GLY H H 8.317 . 1 396 71 71 GLY HA2 H 3.935 . 2 397 71 71 GLY HA3 H 3.935 . 2 398 71 71 GLY C C 174.134 . 1 399 71 71 GLY CA C 45.110 . 1 400 71 71 GLY N N 108.570 . 1 401 72 72 TYR H H 8.317 . 1 402 72 72 TYR HA H 4.598 . 1 403 72 72 TYR HB2 H 3.120 . 2 404 72 72 TYR HB3 H 3.013 . 2 405 72 72 TYR C C 176.772 . 1 406 72 72 TYR CA C 58.267 . 1 407 72 72 TYR CB C 38.704 . 1 408 72 72 TYR N N 120.420 . 1 409 73 73 GLY H H 8.588 . 1 410 73 73 GLY HA2 H 3.934 . 2 411 73 73 GLY HA3 H 3.934 . 2 412 73 73 GLY C C 174.676 . 1 413 73 73 GLY CA C 45.389 . 1 414 73 73 GLY N N 111.522 . 1 415 74 74 GLY H H 7.970 . 1 416 74 74 GLY HA2 H 4.003 . 2 417 74 74 GLY HA3 H 4.003 . 2 418 74 74 GLY C C 174.356 . 1 419 74 74 GLY CA C 45.202 . 1 420 74 74 GLY N N 108.225 . 1 421 75 75 LEU H H 8.366 . 1 422 75 75 LEU HA H 4.392 . 1 423 75 75 LEU C C 178.378 . 1 424 75 75 LEU CA C 55.376 . 1 425 75 75 LEU CB C 42.356 . 1 426 75 75 LEU CG C 26.991 . 1 427 75 75 LEU N N 121.644 . 1 428 76 76 GLY H H 8.648 . 1 429 76 76 GLY HA2 H 4.023 . 2 430 76 76 GLY HA3 H 4.023 . 2 431 76 76 GLY C C 174.503 . 1 432 76 76 GLY CA C 45.359 . 1 433 76 76 GLY N N 109.849 . 1 434 77 77 SER H H 8.350 . 1 435 77 77 SER HA H 4.466 . 1 436 77 77 SER HB2 H 3.905 . 2 437 77 77 SER HB3 H 3.905 . 2 438 77 77 SER C C 174.976 . 1 439 77 77 SER CA C 58.527 . 1 440 77 77 SER CB C 63.786 . 1 441 77 77 SER N N 115.767 . 1 442 78 78 GLN H H 8.627 . 1 443 78 78 GLN HA H 4.392 . 1 444 78 78 GLN HB2 H 2.210 . 2 445 78 78 GLN HG2 H 2.426 . 2 446 78 78 GLN HG3 H 2.426 . 2 447 78 78 GLN C C 176.674 . 1 448 78 78 GLN CA C 56.173 . 1 449 78 78 GLN CB C 29.337 . 1 450 78 78 GLN CG C 33.843 . 1 451 78 78 GLN N N 122.019 . 1 452 79 79 GLY H H 8.512 . 1 453 79 79 GLY HA2 H 4.061 . 2 454 79 79 GLY HA3 H 4.061 . 2 455 79 79 GLY C C 174.599 . 1 456 79 79 GLY CA C 45.456 . 1 457 79 79 GLY N N 109.682 . 1 458 80 80 THR H H 8.259 . 1 459 80 80 THR HA H 4.357 . 1 460 80 80 THR HG2 H 1.236 . 1 461 80 80 THR C C 175.119 . 1 462 80 80 THR CA C 61.834 . 1 463 80 80 THR CB C 69.828 . 1 464 80 80 THR CG2 C 21.491 . 1 465 80 80 THR N N 113.050 . 1 466 81 81 SER H H 8.524 . 1 467 81 81 SER HA H 4.503 . 1 468 81 81 SER HB2 H 3.951 . 2 469 81 81 SER HB3 H 3.951 . 2 470 81 81 SER C C 175.183 . 1 471 81 81 SER CA C 58.749 . 1 472 81 81 SER CB C 63.796 . 1 473 81 81 SER N N 118.076 . 1 474 82 82 GLY H H 8.559 . 1 475 82 82 GLY CA C 45.453 . 1 476 82 82 GLY N N 110.770 . 1 stop_ save_ save_repetitive_domain_dragline_silk_hexamer _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D HN(CA)CO' '3D (H)C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'repetitive domain spider dragline silk hexamer' _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 10 10 GLY H H 8.500 . 1 2 10 10 GLY HA2 H 4.001 . 2 3 10 10 GLY HA3 H 4.001 . 2 4 10 10 GLY C C 173.891 . 1 5 10 10 GLY CA C 45.277 . 1 6 10 10 GLY N N 110.696 . 1 7 11 11 LEU H H 8.164 . 1 8 11 11 LEU HA H 4.454 . 1 9 11 11 LEU HB2 H 1.565 . 2 10 11 11 LEU HB3 H 1.565 . 2 11 11 11 LEU C C 177.260 . 1 12 11 11 LEU N N 121.561 . 1 13 12 12 VAL H H 8.256 . 1 14 12 12 VAL N N 123.189 . 1 15 13 13 PRO HA H 4.485 . 1 16 13 13 PRO HB2 H 2.295 . 2 17 13 13 PRO HB3 H 2.295 . 2 18 13 13 PRO HG3 H 1.980 . 2 19 13 13 PRO C C 176.909 . 1 20 13 13 PRO CA C 63.236 . 1 21 13 13 PRO CB C 32.227 . 1 22 13 13 PRO CG C 27.410 . 1 23 13 13 PRO CD C 50.667 . 1 24 14 14 ARG H H 8.654 . 1 25 14 14 ARG HD2 H 3.128 . 2 26 14 14 ARG HD3 H 3.128 . 2 27 14 14 ARG C C 177.112 . 1 28 14 14 ARG CB C 31.054 . 1 29 14 14 ARG N N 122.328 . 1 30 15 15 GLY H H 8.634 . 1 31 15 15 GLY HA2 H 4.057 . 2 32 15 15 GLY HA3 H 4.057 . 2 33 15 15 GLY C C 174.314 . 1 34 15 15 GLY CA C 45.291 . 1 35 15 15 GLY N N 110.859 . 1 36 16 16 SER H H 8.484 . 1 37 16 16 SER HA H 4.447 . 1 38 16 16 SER HB2 H 3.931 . 2 39 16 16 SER HB3 H 3.931 . 2 40 16 16 SER C C 175.339 . 1 41 16 16 SER N N 115.910 . 1 42 17 17 GLY H H 8.705 . 1 43 17 17 GLY HA2 H 4.006 . 2 44 17 17 GLY HA3 H 4.006 . 2 45 17 17 GLY C C 174.263 . 1 46 17 17 GLY CA C 45.567 . 1 47 17 17 GLY N N 111.110 . 1 48 18 18 MET H H 8.273 . 1 49 18 18 MET HA H 4.498 . 1 50 18 18 MET HG2 H 2.569 . 2 51 18 18 MET HG3 H 2.569 . 2 52 18 18 MET C C 176.436 . 1 53 18 18 MET CA C 55.746 . 1 54 18 18 MET CG C 32.173 . 1 55 18 18 MET N N 120.022 . 1 56 19 19 LYS H H 8.547 . 1 57 19 19 LYS HA H 4.318 . 1 58 19 19 LYS HB2 H 1.865 . 2 59 19 19 LYS HB3 H 1.865 . 2 60 19 19 LYS C C 176.739 . 1 61 19 19 LYS CA C 56.610 . 1 62 19 19 LYS N N 122.859 . 1 63 20 20 GLU H H 8.654 . 1 64 20 20 GLU HA H 4.359 . 1 65 20 20 GLU HB2 H 2.016 . 2 66 20 20 GLU HB3 H 2.016 . 2 67 20 20 GLU HG2 H 2.324 . 2 68 20 20 GLU HG3 H 2.324 . 2 69 20 20 GLU C C 176.872 . 1 70 20 20 GLU N N 122.689 . 1 71 21 21 THR H H 8.336 . 1 72 21 21 THR HA H 4.292 . 1 73 21 21 THR C C 174.594 . 1 74 21 21 THR N N 115.927 . 1 75 22 22 ALA H H 8.514 . 1 76 22 22 ALA C C 178.118 . 1 77 22 22 ALA N N 126.269 . 1 78 23 23 ALA H H 8.349 . 1 79 23 23 ALA HA H 4.284 . 1 80 23 23 ALA C C 177.899 . 1 81 23 23 ALA CB C 19.056 . 1 82 23 23 ALA N N 122.792 . 1 83 24 24 ALA H H 8.263 . 1 84 24 24 ALA HA H 4.267 . 1 85 24 24 ALA C C 179.171 . 1 86 24 24 ALA CA C 53.724 . 1 87 24 24 ALA CB C 18.707 . 1 88 24 24 ALA N N 123.134 . 1 89 25 25 LYS H H 8.249 . 1 90 25 25 LYS HA H 4.208 . 1 91 25 25 LYS HB2 H 1.761 . 2 92 25 25 LYS HB3 H 1.761 . 2 93 25 25 LYS HG2 H 1.346 . 2 94 25 25 LYS HG3 H 1.346 . 2 95 25 25 LYS C C 176.656 . 1 96 25 25 LYS CA C 56.326 . 1 97 25 25 LYS CD C 30.778 . 1 98 25 25 LYS CE C 42.891 . 1 99 25 25 LYS N N 118.480 . 1 100 26 26 PHE H H 8.258 . 1 101 26 26 PHE HA H 4.610 . 1 102 26 26 PHE HB2 H 3.186 . 2 103 26 26 PHE C C 176.040 . 1 104 26 26 PHE N N 120.679 . 1 105 27 27 GLU H H 8.368 . 1 106 27 27 GLU HA H 4.505 . 1 107 27 27 GLU HG2 H 2.285 . 2 108 27 27 GLU HG3 H 2.285 . 2 109 27 27 GLU C C 176.437 . 1 110 27 27 GLU N N 122.332 . 1 111 28 28 ARG H H 8.354 . 1 112 28 28 ARG C C 176.520 . 1 113 28 28 ARG N N 121.619 . 1 114 29 29 GLN H H 8.509 . 1 115 29 29 GLN HA H 4.218 . 1 116 29 29 GLN C C 175.945 . 1 117 29 29 GLN N N 120.963 . 1 118 30 30 HIS H H 8.476 . 1 119 30 30 HIS N N 119.988 . 1 120 31 31 MET HA H 4.475 . 1 121 31 31 MET C C 175.759 . 1 122 31 31 MET CA C 55.499 . 1 123 31 31 MET CB C 32.852 . 1 124 32 32 ASP H H 8.566 . 1 125 32 32 ASP HA H 4.627 . 1 126 32 32 ASP HB2 H 2.725 . 2 127 32 32 ASP HB3 H 2.638 . 2 128 32 32 ASP C C 175.911 . 1 129 32 32 ASP N N 121.372 . 1 130 33 33 SER H H 8.258 . 1 131 33 33 SER N N 116.610 . 1 132 34 34 PRO HA H 4.445 . 1 133 34 34 PRO HB2 H 2.283 . 2 134 34 34 PRO HB3 H 2.283 . 2 135 34 34 PRO HG2 H 2.029 . 2 136 34 34 PRO HG3 H 2.029 . 2 137 34 34 PRO C C 176.474 . 1 138 34 34 PRO CA C 63.436 . 1 139 34 34 PRO CB C 32.103 . 1 140 35 35 ASP H H 8.478 . 1 141 35 35 ASP C C 176.288 . 1 142 35 35 ASP N N 120.227 . 1 143 36 36 LEU H H 8.365 . 1 144 36 36 LEU HA H 4.384 . 1 145 36 36 LEU HB2 H 1.674 . 2 146 36 36 LEU HB3 H 1.674 . 2 147 36 36 LEU HD1 H 0.920 . 2 148 36 36 LEU HD2 H 0.920 . 2 149 36 36 LEU C C 178.339 . 1 150 36 36 LEU N N 123.599 . 1 151 37 37 GLY H H 8.641 . 1 152 37 37 GLY HA2 H 4.081 . 2 153 37 37 GLY HA3 H 4.081 . 2 154 37 37 GLY C C 174.298 . 1 155 37 37 GLY CA C 45.352 . 1 156 37 37 GLY N N 109.761 . 1 157 38 38 THR H H 8.203 . 1 158 38 38 THR HA H 4.324 . 1 159 38 38 THR C C 174.651 . 1 160 38 38 THR CA C 62.515 . 1 161 38 38 THR CB C 70.184 . 1 162 38 38 THR N N 113.309 . 1 163 39 39 ASP H H 8.598 . 1 164 39 39 ASP C C 176.288 . 1 165 39 39 ASP CA C 54.704 . 1 166 39 39 ASP CB C 41.334 . 1 167 39 39 ASP N N 122.503 . 1 168 40 40 ASP H H 8.371 . 1 169 40 40 ASP HA H 4.584 . 1 170 40 40 ASP HB2 H 2.759 . 2 171 40 40 ASP HB3 H 2.642 . 2 172 40 40 ASP C C 176.600 . 1 173 40 40 ASP CA C 54.915 . 1 174 40 40 ASP CB C 41.279 . 1 175 40 40 ASP N N 120.569 . 1 176 41 41 ASP H H 8.384 . 1 177 41 41 ASP HA H 4.567 . 1 178 41 41 ASP HB2 H 2.748 . 2 179 41 41 ASP HB3 H 2.748 . 2 180 41 41 ASP C C 176.728 . 1 181 41 41 ASP CA C 54.299 . 1 182 41 41 ASP CB C 41.145 . 1 183 41 41 ASP N N 121.084 . 1 184 42 42 ASP H H 8.427 . 1 185 42 42 ASP HA H 4.608 . 1 186 42 42 ASP HB2 H 2.752 . 2 187 42 42 ASP HB3 H 2.752 . 2 188 42 42 ASP C C 177.665 . 1 189 42 42 ASP CA C 55.565 . 1 190 42 42 ASP CB C 40.803 . 1 191 42 42 ASP N N 120.942 . 1 192 43 43 LYS H H 8.293 . 1 193 43 43 LYS HA H 4.228 . 1 194 43 43 LYS C C 177.866 . 1 195 43 43 LYS N N 121.411 . 1 196 44 44 ALA H H 8.222 . 1 197 44 44 ALA HA H 4.276 . 1 198 44 44 ALA HB H 1.408 . 1 199 44 44 ALA C C 178.198 . 1 200 44 44 ALA CA C 53.005 . 1 201 44 44 ALA CB C 19.151 . 1 202 44 44 ALA N N 123.137 . 1 203 45 45 MET H H 8.224 . 1 204 45 45 MET N N 120.059 . 1 205 46 46 ALA C C 178.546 . 1 206 46 46 ALA CB C 18.764 . 1 207 47 47 ALA H H 8.241 . 1 208 47 47 ALA HA H 4.308 . 1 209 47 47 ALA HB H 1.473 . 1 210 47 47 ALA C C 178.456 . 1 211 47 47 ALA CA C 53.220 . 1 212 47 47 ALA CB C 18.876 . 1 213 47 47 ALA N N 122.149 . 1 214 48 48 SER H H 8.194 . 1 215 48 48 SER HA H 4.458 . 1 216 48 48 SER HB2 H 3.994 . 2 217 48 48 SER HB3 H 3.994 . 2 218 48 48 SER C C 175.470 . 1 219 48 48 SER CA C 58.941 . 1 220 48 48 SER CB C 63.936 . 1 221 48 48 SER N N 113.856 . 1 222 49 49 GLY H H 8.364 . 1 223 49 49 GLY HA2 H 4.031 . 2 224 49 49 GLY HA3 H 4.031 . 2 225 49 49 GLY C C 174.516 . 1 226 49 49 GLY CA C 45.394 . 1 227 49 49 GLY N N 110.389 . 1 228 50 50 ARG H H 8.351 . 1 229 50 50 ARG HA H 4.384 . 1 230 50 50 ARG C C 177.104 . 1 231 50 50 ARG CA C 56.242 . 1 232 50 50 ARG CB C 30.749 . 1 233 50 50 ARG N N 120.501 . 1 234 51 51 GLY H H 8.643 . 1 235 51 51 GLY HA2 H 3.932 . 2 236 51 51 GLY HA3 H 3.932 . 2 237 51 51 GLY C C 174.686 . 1 238 51 51 GLY CA C 45.373 . 1 239 51 51 GLY N N 109.984 . 1 240 52 52 GLY H H 7.969 . 1 241 52 52 GLY HA2 H 4.001 . 2 242 52 52 GLY HA3 H 4.001 . 2 243 52 52 GLY C C 174.442 . 1 244 52 52 GLY CA C 45.152 . 1 245 52 52 GLY N N 108.196 . 1 246 53 53 LEU H H 8.364 . 1 247 53 53 LEU HA H 4.393 . 1 248 53 53 LEU HD1 H 0.958 . 1 249 53 53 LEU C C 178.341 . 1 250 53 53 LEU CA C 55.441 . 1 251 53 53 LEU CB C 42.361 . 1 252 53 53 LEU CG C 27.097 . 1 253 53 53 LEU N N 121.623 . 1 254 54 54 GLY H H 8.644 . 1 255 54 54 GLY HA2 H 3.996 . 2 256 54 54 GLY HA3 H 3.996 . 2 257 54 54 GLY C C 174.679 . 1 258 54 54 GLY CA C 45.399 . 1 259 54 54 GLY N N 109.841 . 1 260 55 55 GLY H H 8.379 . 1 261 55 55 GLY HA2 H 3.997 . 2 262 55 55 GLY HA3 H 3.997 . 2 263 55 55 GLY C C 174.501 . 1 264 55 55 GLY CA C 45.304 . 1 265 55 55 GLY N N 108.628 . 1 266 56 56 GLN H H 8.466 . 1 267 56 56 GLN HA H 4.392 . 1 268 56 56 GLN C C 176.748 . 1 269 56 56 GLN CA C 56.014 . 1 270 56 56 GLN CB C 29.542 . 1 271 56 56 GLN CG C 33.873 . 1 272 56 56 GLN N N 119.714 . 1 273 57 57 GLY H H 8.638 . 1 274 57 57 GLY HA2 H 3.961 . 2 275 57 57 GLY HA3 H 3.961 . 2 276 57 57 GLY C C 174.240 . 1 277 57 57 GLY CA C 45.264 . 1 278 57 57 GLY N N 110.146 . 1 279 58 58 ALA H H 8.238 . 1 280 58 58 ALA HA H 4.343 . 1 281 58 58 ALA HB H 1.422 . 1 282 58 58 ALA C C 178.572 . 1 283 58 58 ALA CA C 52.747 . 1 284 58 58 ALA CB C 19.249 . 1 285 58 58 ALA N N 123.985 . 1 286 59 59 GLY H H 8.568 . 1 287 59 59 GLY HA2 H 3.984 . 2 288 59 59 GLY HA3 H 3.984 . 2 289 59 59 GLY C C 174.140 . 1 290 59 59 GLY CA C 45.245 . 1 291 59 59 GLY N N 108.320 . 1 292 60 60 ALA H H 8.402 . 1 293 60 60 ALA HA H 4.305 . 1 294 60 60 ALA HB H 1.423 . 1 295 60 60 ALA C C 177.775 . 1 296 60 60 ALA CA C 52.729 . 1 297 60 60 ALA CB C 19.190 . 1 298 60 60 ALA N N 123.973 . 1 299 61 61 ALA H H 8.342 . 1 300 61 61 ALA HA H 4.289 . 1 301 61 61 ALA HB H 1.414 . 1 302 61 61 ALA C C 177.993 . 1 303 61 61 ALA CA C 52.584 . 1 304 61 61 ALA CB C 19.250 . 1 305 61 61 ALA N N 123.379 . 1 306 62 62 ALA H H 8.367 . 1 307 62 62 ALA HB H 1.420 . 1 308 62 62 ALA C C 177.940 . 1 309 62 62 ALA CA C 52.652 . 1 310 62 62 ALA N N 123.123 . 1 311 63 63 ALA H H 8.275 . 1 312 63 63 ALA HA H 4.296 . 1 313 63 63 ALA HB H 1.428 . 1 314 63 63 ALA C C 177.776 . 1 315 63 63 ALA CA C 52.516 . 1 316 63 63 ALA CB C 19.145 . 1 317 63 63 ALA N N 123.171 . 1 318 64 64 ALA H H 8.333 . 1 319 64 64 ALA HA H 4.336 . 1 320 64 64 ALA HB H 1.450 . 1 321 64 64 ALA C C 178.443 . 1 322 64 64 ALA CA C 52.650 . 1 323 64 64 ALA CB C 19.204 . 1 324 64 64 ALA N N 123.344 . 1 325 65 65 GLY H H 8.435 . 1 326 65 65 GLY HA2 H 3.995 . 2 327 65 65 GLY HA3 H 3.995 . 2 328 65 65 GLY C C 174.830 . 1 329 65 65 GLY CA C 45.358 . 1 330 65 65 GLY N N 108.054 . 1 331 66 66 GLY H H 8.329 . 1 332 66 66 GLY HA2 H 3.989 . 2 333 66 66 GLY HA3 H 3.989 . 2 334 66 66 GLY C C 174.136 . 1 335 66 66 GLY CA C 45.224 . 1 336 66 66 GLY N N 108.684 . 1 337 67 67 ALA H H 8.410 . 1 338 67 67 ALA HA H 4.343 . 1 339 67 67 ALA C C 178.575 . 1 340 67 67 ALA CA C 52.768 . 1 341 67 67 ALA CB C 19.199 . 1 342 67 67 ALA N N 123.824 . 1 343 68 68 GLY H H 8.567 . 1 344 68 68 GLY HA2 H 3.986 . 2 345 68 68 GLY HA3 H 3.986 . 2 346 68 68 GLY C C 174.514 . 1 347 68 68 GLY CA C 45.360 . 1 348 68 68 GLY N N 108.320 . 1 349 69 69 GLN H H 8.379 . 1 350 69 69 GLN HA H 4.386 . 1 351 69 69 GLN HG2 H 2.398 . 2 352 69 69 GLN HG3 H 2.398 . 2 353 69 69 GLN C C 176.734 . 1 354 69 69 GLN CA C 55.990 . 1 355 69 69 GLN N N 119.764 . 1 356 70 70 GLY H H 8.633 . 1 357 70 70 GLY HA2 H 3.979 . 2 358 70 70 GLY HA3 H 3.979 . 2 359 70 70 GLY C C 174.620 . 1 360 70 70 GLY CA C 45.279 . 1 361 70 70 GLY N N 110.152 . 1 362 71 71 GLY H H 8.317 . 1 363 71 71 GLY HA2 H 3.936 . 2 364 71 71 GLY HA3 H 3.936 . 2 365 71 71 GLY C C 174.150 . 1 366 71 71 GLY CA C 45.087 . 1 367 71 71 GLY N N 108.526 . 1 368 72 72 TYR H H 8.313 . 1 369 72 72 TYR HA H 4.591 . 1 370 72 72 TYR HB2 H 3.098 . 2 371 72 72 TYR HB3 H 2.999 . 2 372 72 72 TYR C C 176.764 . 1 373 72 72 TYR CA C 58.290 . 1 374 72 72 TYR CB C 38.745 . 1 375 72 72 TYR N N 120.378 . 1 376 73 73 GLY H H 8.583 . 1 377 73 73 GLY HA2 H 3.931 . 2 378 73 73 GLY HA3 H 3.931 . 2 379 73 73 GLY C C 174.683 . 1 380 73 73 GLY CA C 45.405 . 1 381 73 73 GLY N N 111.454 . 1 382 74 74 GLY H H 7.969 . 1 383 74 74 GLY HA2 H 4.004 . 2 384 74 74 GLY HA3 H 4.004 . 2 385 74 74 GLY C C 174.422 . 1 386 74 74 GLY CA C 45.142 . 1 387 74 74 GLY N N 108.201 . 1 388 75 75 LEU H H 8.362 . 1 389 75 75 LEU HA H 4.381 . 1 390 75 75 LEU HD1 H 0.923 . 2 391 75 75 LEU HD2 H 0.923 . 2 392 75 75 LEU C C 178.344 . 1 393 75 75 LEU CA C 55.506 . 1 394 75 75 LEU CB C 42.361 . 1 395 75 75 LEU N N 121.606 . 1 396 76 76 GLY H H 8.643 . 1 397 76 76 GLY HA2 H 4.016 . 2 398 76 76 GLY HA3 H 4.016 . 2 399 76 76 GLY C C 174.495 . 1 400 76 76 GLY CA C 45.351 . 1 401 76 76 GLY N N 109.773 . 1 402 77 77 SER H H 8.351 . 1 403 77 77 SER HA H 4.479 . 1 404 77 77 SER HB2 H 3.889 . 2 405 77 77 SER HB3 H 3.889 . 2 406 77 77 SER C C 174.986 . 1 407 77 77 SER CA C 58.528 . 1 408 77 77 SER CB C 63.782 . 1 409 77 77 SER N N 115.736 . 1 410 78 78 GLN H H 8.622 . 1 411 78 78 GLN HA H 4.393 . 1 412 78 78 GLN C C 176.660 . 1 413 78 78 GLN CA C 56.192 . 1 414 78 78 GLN CB C 29.338 . 1 415 78 78 GLN CG C 33.917 . 1 416 78 78 GLN N N 122.004 . 1 417 79 79 GLY H H 8.511 . 1 418 79 79 GLY HA2 H 4.060 . 2 419 79 79 GLY HA3 H 4.060 . 2 420 79 79 GLY C C 174.526 . 1 421 79 79 GLY CA C 45.466 . 1 422 79 79 GLY N N 109.653 . 1 423 80 80 THR H H 8.253 . 1 424 80 80 THR HA H 4.436 . 1 425 80 80 THR HB H 4.340 . 1 426 80 80 THR C C 175.119 . 1 427 80 80 THR CA C 61.834 . 1 428 80 80 THR CB C 69.918 . 1 429 80 80 THR N N 113.040 . 1 430 81 81 SER H H 8.521 . 1 431 81 81 SER HA H 4.483 . 1 432 81 81 SER HB2 H 3.943 . 2 433 81 81 SER HB3 H 3.943 . 2 434 81 81 SER C C 175.192 . 1 435 81 81 SER CA C 58.773 . 1 436 81 81 SER CB C 63.791 . 1 437 81 81 SER N N 118.029 . 1 438 82 82 GLY H H 8.554 . 1 439 82 82 GLY CA C 45.373 . 1 440 82 82 GLY N N 110.768 . 1 stop_ save_ save_repetitive_domain_dragline_silk_15-mer _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D HN(CA)CO' '3D (H)C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'repetitive domain spider dragline silk 15-mer' _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 50 50 ARG H H 8.355 . 1 2 50 50 ARG HA H 4.382 . 1 3 50 50 ARG HD2 H 3.206 . 2 4 50 50 ARG HD3 H 3.206 . 2 5 50 50 ARG C C 177.131 . 1 6 50 50 ARG CA C 55.900 . 1 7 50 50 ARG CB C 30.582 . 1 8 50 50 ARG CD C 43.266 . 1 9 50 50 ARG N N 120.489 . 1 10 51 51 GLY H H 8.624 . 1 11 51 51 GLY HA2 H 3.929 . 2 12 51 51 GLY HA3 H 3.929 . 2 13 51 51 GLY C C 174.688 . 1 14 51 51 GLY CA C 45.308 . 1 15 51 51 GLY N N 110.001 . 1 16 52 52 GLY H H 7.960 . 1 17 52 52 GLY HA2 H 3.976 . 2 18 52 52 GLY HA3 H 3.976 . 2 19 52 52 GLY C C 174.392 . 1 20 52 52 GLY CA C 45.126 . 1 21 52 52 GLY N N 108.219 . 1 22 53 53 LEU H H 8.349 . 1 23 53 53 LEU HA H 4.378 . 1 24 53 53 LEU HG H 1.640 . 1 25 53 53 LEU C C 178.362 . 1 26 53 53 LEU CA C 55.394 . 1 27 53 53 LEU CB C 42.266 . 1 28 53 53 LEU CG C 26.947 . 1 29 53 53 LEU N N 121.631 . 1 30 54 54 GLY H H 8.630 . 1 31 54 54 GLY HA2 H 3.991 . 2 32 54 54 GLY HA3 H 3.991 . 2 33 54 54 GLY C C 174.691 . 1 34 54 54 GLY CA C 45.283 . 1 35 54 54 GLY N N 109.844 . 1 36 55 55 GLY H H 8.371 . 1 37 55 55 GLY HA2 H 3.998 . 2 38 55 55 GLY HA3 H 3.998 . 2 39 55 55 GLY C C 174.517 . 1 40 55 55 GLY CA C 45.267 . 1 41 55 55 GLY N N 108.680 . 1 42 56 56 GLN H H 8.452 . 1 43 56 56 GLN HA H 4.377 . 1 44 56 56 GLN C C 176.747 . 1 45 56 56 GLN CA C 56.115 . 1 46 56 56 GLN CB C 29.250 . 1 47 56 56 GLN CG C 33.826 . 1 48 56 56 GLN N N 119.720 . 1 49 57 57 GLY H H 8.615 . 1 50 57 57 GLY HA2 H 3.959 . 2 51 57 57 GLY HA3 H 3.959 . 2 52 57 57 GLY C C 174.249 . 1 53 57 57 GLY CA C 45.185 . 1 54 57 57 GLY N N 110.150 . 1 55 58 58 ALA H H 8.205 . 1 56 58 58 ALA HA H 4.339 . 1 57 58 58 ALA C C 178.596 . 1 58 58 58 ALA CA C 52.711 . 1 59 58 58 ALA CB C 19.205 . 1 60 58 58 ALA N N 124.012 . 1 61 59 59 GLY H H 8.547 . 1 62 59 59 GLY HA2 H 3.984 . 2 63 59 59 GLY HA3 H 3.984 . 2 64 59 59 GLY C C 174.131 . 1 65 59 59 GLY CA C 45.201 . 1 66 59 59 GLY N N 108.336 . 1 67 60 60 ALA H H 8.384 . 1 68 60 60 ALA HA H 4.306 . 1 69 60 60 ALA HB H 1.420 . 1 70 60 60 ALA C C 177.790 . 1 71 60 60 ALA CA C 52.462 . 1 72 60 60 ALA CB C 18.936 . 1 73 60 60 ALA N N 123.993 . 1 74 61 61 ALA H H 8.328 . 1 75 61 61 ALA HA H 4.289 . 1 76 61 61 ALA HB H 1.405 . 1 77 61 61 ALA C C 177.966 . 1 78 61 61 ALA CA C 52.593 . 1 79 61 61 ALA CB C 19.159 . 1 80 61 61 ALA N N 123.385 . 1 81 62 62 ALA H H 8.363 . 1 82 62 62 ALA HA H 4.279 . 1 83 62 62 ALA HB H 1.414 . 1 84 62 62 ALA C C 177.999 . 1 85 62 62 ALA CA C 52.540 . 1 86 62 62 ALA CB C 18.936 . 1 87 62 62 ALA N N 123.117 . 1 88 63 63 ALA H H 8.264 . 1 89 63 63 ALA HA H 4.303 . 1 90 63 63 ALA HB H 1.421 . 1 91 63 63 ALA C C 177.796 . 1 92 63 63 ALA CA C 52.368 . 1 93 63 63 ALA CB C 19.027 . 1 94 63 63 ALA N N 123.160 . 1 95 64 64 ALA H H 8.324 . 1 96 64 64 ALA HA H 4.337 . 1 97 64 64 ALA HB H 1.443 . 1 98 64 64 ALA C C 178.468 . 1 99 64 64 ALA CA C 52.553 . 1 100 64 64 ALA CB C 19.065 . 1 101 64 64 ALA N N 123.368 . 1 102 65 65 GLY H H 8.422 . 1 103 65 65 GLY HA2 H 3.987 . 2 104 65 65 GLY HA3 H 3.987 . 2 105 65 65 GLY C C 174.835 . 1 106 65 65 GLY CA C 45.291 . 1 107 65 65 GLY N N 108.096 . 1 108 66 66 GLY H H 8.318 . 1 109 66 66 GLY HA2 H 3.982 . 2 110 66 66 GLY HA3 H 3.982 . 2 111 66 66 GLY C C 174.125 . 1 112 66 66 GLY CA C 45.145 . 1 113 66 66 GLY N N 108.677 . 1 114 67 67 ALA H H 8.397 . 1 115 67 67 ALA HA H 4.339 . 1 116 67 67 ALA HB H 1.421 . 1 117 67 67 ALA C C 178.606 . 1 118 67 67 ALA CA C 52.931 . 1 119 67 67 ALA CB C 19.130 . 1 120 67 67 ALA N N 123.809 . 1 121 68 68 GLY H H 8.550 . 1 122 68 68 GLY HA2 H 3.977 . 2 123 68 68 GLY HA3 H 3.977 . 2 124 68 68 GLY C C 174.533 . 1 125 68 68 GLY CA C 45.300 . 1 126 68 68 GLY N N 108.343 . 1 127 69 69 GLN H H 8.366 . 1 128 69 69 GLN HA H 4.379 . 1 129 69 69 GLN HG2 H 2.381 . 2 130 69 69 GLN HG3 H 2.381 . 2 131 69 69 GLN C C 176.749 . 1 132 69 69 GLN CA C 56.011 . 1 133 69 69 GLN CB C 29.250 . 1 134 69 69 GLN CG C 33.806 . 1 135 69 69 GLN N N 119.748 . 1 136 70 70 GLY H H 8.610 . 1 137 70 70 GLY HA2 H 3.966 . 2 138 70 70 GLY HA3 H 3.966 . 2 139 70 70 GLY C C 174.670 . 1 140 70 70 GLY CA C 45.349 . 1 141 70 70 GLY N N 110.141 . 1 142 71 71 GLY H H 8.299 . 1 143 71 71 GLY HA2 H 3.926 . 2 144 71 71 GLY HA3 H 3.926 . 2 145 71 71 GLY C C 174.152 . 1 146 71 71 GLY CA C 45.053 . 1 147 71 71 GLY N N 108.550 . 1 148 72 72 TYR H H 8.300 . 1 149 72 72 TYR HA H 4.586 . 1 150 72 72 TYR HB2 H 3.099 . 2 151 72 72 TYR HB3 H 2.990 . 2 152 72 72 TYR C C 176.784 . 1 153 72 72 TYR CA C 58.192 . 1 154 72 72 TYR CB C 38.613 . 1 155 72 72 TYR N N 120.380 . 1 156 73 73 GLY H H 8.568 . 1 157 73 73 GLY HA2 H 3.927 . 2 158 73 73 GLY HA3 H 3.927 . 2 159 73 73 GLY C C 174.703 . 1 160 73 73 GLY CA C 45.328 . 1 161 73 73 GLY N N 111.474 . 1 162 74 74 GLY H H 7.960 . 1 163 74 74 GLY HA2 H 4.003 . 2 164 74 74 GLY HA3 H 4.003 . 2 165 74 74 GLY C C 174.452 . 1 166 74 74 GLY CA C 45.199 . 1 167 74 74 GLY N N 108.225 . 1 168 75 75 LEU H H 8.349 . 1 169 75 75 LEU HA H 4.377 . 1 170 75 75 LEU C C 178.354 . 1 171 75 75 LEU CA C 55.411 . 1 172 75 75 LEU CB C 42.345 . 1 173 75 75 LEU N N 121.634 . 1 174 76 76 GLY H H 8.629 . 1 175 76 76 GLY HA2 H 4.018 . 2 176 76 76 GLY HA3 H 4.018 . 2 177 76 76 GLY C C 174.551 . 1 178 76 76 GLY CA C 45.248 . 1 179 76 76 GLY N N 109.796 . 1 180 77 77 SER H H 8.339 . 1 181 77 77 SER HA H 4.460 . 1 182 77 77 SER HB2 H 3.880 . 2 183 77 77 SER HB3 H 3.880 . 2 184 77 77 SER C C 174.998 . 1 185 77 77 SER CA C 58.462 . 1 186 77 77 SER CB C 63.701 . 1 187 77 77 SER N N 115.748 . 1 188 78 78 GLN H H 8.610 . 1 189 78 78 GLN HA H 4.383 . 1 190 78 78 GLN HG2 H 2.401 . 2 191 78 78 GLN HG3 H 2.401 . 2 192 78 78 GLN C C 176.680 . 1 193 78 78 GLN CA C 56.188 . 1 194 78 78 GLN CB C 29.320 . 1 195 78 78 GLN CG C 33.802 . 1 196 78 78 GLN N N 121.975 . 1 197 79 79 GLY H H 8.496 . 1 198 79 79 GLY HA2 H 4.048 . 2 199 79 79 GLY HA3 H 4.048 . 2 200 79 79 GLY C C 174.618 . 1 201 79 79 GLY CA C 45.434 . 1 202 79 79 GLY N N 109.668 . 1 203 80 80 THR H H 8.245 . 1 204 80 80 THR HA H 4.389 . 1 205 80 80 THR HB H 4.337 . 1 206 80 80 THR C C 175.137 . 1 207 80 80 THR CA C 61.743 . 1 208 80 80 THR CB C 69.778 . 1 209 80 80 THR N N 113.050 . 1 210 81 81 SER H H 8.511 . 1 211 81 81 SER HA H 4.486 . 1 212 81 81 SER HB2 H 3.935 . 2 213 81 81 SER HB3 H 3.935 . 2 214 81 81 SER C C 175.218 . 1 215 81 81 SER CA C 58.631 . 1 216 81 81 SER CB C 63.750 . 1 217 81 81 SER N N 118.043 . 1 218 82 82 GLY H H 8.543 . 1 219 49 82 GLY HA2 H 4.029 . 2 220 49 82 GLY HA3 H 4.029 . 2 221 49 82 GLY C C 174.419 . 1 222 49 82 GLY CA C 45.427 . 1 223 82 82 GLY N N 110.795 . 1 stop_ save_