data_34002 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; D11 bound [N29, S39_PQ]-IGF-II ; _BMRB_accession_number 34002 _BMRB_flat_file_name bmr34002.str _Entry_type original _Submission_date 2016-05-23 _Accession_date 2016-05-23 _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 Hexnerova R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 397 "13C chemical shifts" 279 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-21 update BMRB 'update entry citation' 2016-08-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 34000 'D11 bound IGF-II' 34001 'D11 bound [S39_PQ]-IGF-II' stop_ _Original_release_date 2016-08-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27510031 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hexnerova Rozalie . . 2 Krizkova Kvetoslava . . 3 Fabry Milan . . 4 Sieglova Irena . . 5 Kedrova Katerina . . 6 Collinsova Michaela . . 7 Ullrichova Pavlina . . 8 Srb Pavel . . 9 Williams Christopher . . 10 Crump Matthew P. . 11 Tosner Zdenek . . 12 Jiracek Jiri . . 13 Veverka Vaclav . . 14 Zakova Lenka . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 291 _Journal_issue 40 _Journal_ISSN 1083-351X _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21234 _Page_last 21245 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Insulin-like growth factor II' _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 'Insulin-like growth factor II' _Molecular_mass 7736.741 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; AYRPSETLCGGELVDTLQFV CGDRGFYFNRPASRVSRRSP QRGIVEECCFRSCDLALLET YCATPAKSE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 TYR 3 3 ARG 4 4 PRO 5 5 SER 6 6 GLU 7 7 THR 8 8 LEU 9 9 CYS 10 10 GLY 11 11 GLY 12 12 GLU 13 13 LEU 14 14 VAL 15 15 ASP 16 16 THR 17 17 LEU 18 18 GLN 19 19 PHE 20 20 VAL 21 21 CYS 22 22 GLY 23 23 ASP 24 24 ARG 25 25 GLY 26 26 PHE 27 27 TYR 28 28 PHE 29 29 ASN 30 30 ARG 31 31 PRO 32 32 ALA 33 33 SER 34 34 ARG 35 35 VAL 36 36 SER 37 37 ARG 38 38 ARG 39 39 SER 40 40 PRO 41 41 GLN 42 42 ARG 43 43 GLY 44 44 ILE 45 45 VAL 46 46 GLU 47 47 GLU 48 48 CYS 49 49 CYS 50 50 PHE 51 51 ARG 52 52 SER 53 53 CYS 54 54 ASP 55 55 LEU 56 56 ALA 57 57 LEU 58 58 LEU 59 59 GLU 60 60 THR 61 61 TYR 62 62 CYS 63 63 ALA 64 64 THR 65 65 PRO 66 66 ALA 67 67 LYS 68 68 SER 69 69 GLU 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 Human 9606 Eukaryota Metazoa Homo sapiens 'IGF2, PP1446' 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 '20 mM d4 acetic acid, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'acetic acid' 20 mM d4 H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address 'Hoegenauer, Koraimann, Kungl, Vriend' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 4.2 . pH pressure 1 . atm temperature 308 . 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_ _Software_label $software_2 stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HCCH-TOCSY' 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 1 1 ALA HA H 4.441 0.020 . 2 1 1 ALA HB H 1.430 0.020 . 3 1 1 ALA H H 8.590 0.020 . 4 1 1 ALA C C 177.278 0.200 . 5 1 1 ALA CA C 52.522 0.200 . 6 1 1 ALA CB C 19.562 0.200 . 7 1 1 ALA N N 123.666 0.200 . 8 2 2 TYR H H 8.387 0.020 . 9 2 2 TYR HA H 4.652 0.020 . 10 2 2 TYR HB2 H 3.117 0.020 . 11 2 2 TYR HB3 H 3.034 0.020 . 12 2 2 TYR HD1 H 7.211 0.020 . 13 2 2 TYR HD2 H 7.211 0.020 . 14 2 2 TYR HE1 H 6.926 0.020 . 15 2 2 TYR HE2 H 6.926 0.020 . 16 2 2 TYR C C 175.268 0.200 . 17 2 2 TYR CB C 39.053 0.200 . 18 2 2 TYR CD1 C 133.305 0.200 . 19 2 2 TYR CE1 C 118.328 0.200 . 20 2 2 TYR N N 120.676 0.200 . 21 3 3 ARG H H 8.196 0.020 . 22 3 3 ARG HA H 4.671 0.020 . 23 3 3 ARG HB2 H 1.872 0.020 . 24 3 3 ARG HB3 H 1.738 0.020 . 25 3 3 ARG HG2 H 1.673 0.020 . 26 3 3 ARG HG3 H 1.673 0.020 . 27 3 3 ARG HD2 H 3.274 0.020 . 28 3 3 ARG HD3 H 3.274 0.020 . 29 3 3 ARG HE H 7.253 0.020 . 30 3 3 ARG C C 173.447 0.200 . 31 3 3 ARG CA C 53.424 0.200 . 32 3 3 ARG CB C 30.983 0.200 . 33 3 3 ARG CG C 26.804 0.200 . 34 3 3 ARG CD C 43.579 0.200 . 35 3 3 ARG N N 125.810 0.200 . 36 3 3 ARG NE N 85.184 0.200 . 37 4 4 PRO HA H 4.467 0.020 . 38 4 4 PRO HB2 H 2.421 0.020 . 39 4 4 PRO HB3 H 2.054 0.020 . 40 4 4 PRO HG2 H 2.107 0.020 . 41 4 4 PRO HG3 H 2.083 0.020 . 42 4 4 PRO HD2 H 3.691 0.020 . 43 4 4 PRO HD3 H 3.635 0.020 . 44 4 4 PRO C C 176.860 0.200 . 45 4 4 PRO CA C 63.250 0.200 . 46 4 4 PRO CB C 32.272 0.200 . 47 4 4 PRO CG C 27.364 0.200 . 48 4 4 PRO CD C 50.700 0.200 . 49 5 5 SER H H 8.324 0.020 . 50 5 5 SER HA H 4.543 0.020 . 51 5 5 SER HB2 H 4.015 0.020 . 52 5 5 SER HB3 H 4.015 0.020 . 53 5 5 SER C C 174.436 0.200 . 54 5 5 SER CA C 58.701 0.200 . 55 5 5 SER CB C 64.104 0.200 . 56 5 5 SER N N 115.503 0.200 . 57 6 6 GLU H H 8.568 0.020 . 58 6 6 GLU HA H 4.584 0.020 . 59 6 6 GLU HB2 H 2.253 0.020 . 60 6 6 GLU HB3 H 2.117 0.020 . 61 6 6 GLU HG2 H 2.464 0.020 . 62 6 6 GLU HG3 H 2.464 0.020 . 63 6 6 GLU C C 176.463 0.200 . 64 6 6 GLU CA C 56.439 0.200 . 65 6 6 GLU CB C 29.531 0.200 . 66 6 6 GLU CG C 34.302 0.200 . 67 6 6 GLU N N 122.328 0.200 . 68 7 7 THR H H 8.044 0.020 . 69 7 7 THR HA H 4.627 0.020 . 70 7 7 THR HB H 4.628 0.020 . 71 7 7 THR HG2 H 1.051 0.020 . 72 7 7 THR C C 172.929 0.200 . 73 7 7 THR CA C 61.055 0.200 . 74 7 7 THR CB C 70.929 0.200 . 75 7 7 THR CG2 C 22.527 0.200 . 76 7 7 THR N N 114.251 0.200 . 77 8 8 LEU H H 8.738 0.020 . 78 8 8 LEU HA H 4.709 0.020 . 79 8 8 LEU HB2 H 1.675 0.020 . 80 8 8 LEU HB3 H 1.418 0.020 . 81 8 8 LEU HG H 1.275 0.020 . 82 8 8 LEU HD1 H 0.952 0.020 . 83 8 8 LEU HD2 H 0.923 0.020 . 84 8 8 LEU C C 172.862 0.200 . 85 8 8 LEU CA C 54.541 0.200 . 86 8 8 LEU CB C 44.956 0.200 . 87 8 8 LEU CG C 26.738 0.200 . 88 8 8 LEU CD1 C 24.248 0.200 . 89 8 8 LEU CD2 C 26.243 0.200 . 90 8 8 LEU N N 125.054 0.200 . 91 9 9 CYS H H 8.486 0.020 . 92 9 9 CYS HA H 5.024 0.020 . 93 9 9 CYS HB2 H 3.296 0.020 . 94 9 9 CYS HB3 H 2.947 0.020 . 95 9 9 CYS C C 175.513 0.200 . 96 9 9 CYS CA C 54.092 0.200 . 97 9 9 CYS CB C 48.569 0.200 . 98 9 9 CYS N N 119.497 0.200 . 99 10 10 GLY H H 9.171 0.020 . 100 10 10 GLY HA2 H 4.031 0.020 . 101 10 10 GLY HA3 H 3.924 0.020 . 102 10 10 GLY C C 176.186 0.200 . 103 10 10 GLY CA C 47.117 0.200 . 104 10 10 GLY N N 109.406 0.200 . 105 11 11 GLY H H 9.070 0.020 . 106 11 11 GLY HA2 H 3.946 0.020 . 107 11 11 GLY HA3 H 3.857 0.020 . 108 11 11 GLY C C 175.737 0.200 . 109 11 11 GLY CA C 47.457 0.200 . 110 11 11 GLY N N 113.687 0.200 . 111 12 12 GLU H H 8.746 0.020 . 112 12 12 GLU HA H 4.177 0.020 . 113 12 12 GLU HB2 H 2.386 0.020 . 114 12 12 GLU HB3 H 2.099 0.020 . 115 12 12 GLU HG2 H 2.740 0.020 . 116 12 12 GLU HG3 H 2.613 0.020 . 117 12 12 GLU C C 179.604 0.200 . 118 12 12 GLU CA C 60.102 0.200 . 119 12 12 GLU CB C 28.936 0.200 . 120 12 12 GLU CG C 35.897 0.200 . 121 12 12 GLU N N 121.494 0.200 . 122 13 13 LEU H H 7.203 0.020 . 123 13 13 LEU HA H 3.906 0.020 . 124 13 13 LEU HB2 H 2.196 0.020 . 125 13 13 LEU HB3 H 1.145 0.020 . 126 13 13 LEU HG H 1.388 0.020 . 127 13 13 LEU HD1 H 0.751 0.020 . 128 13 13 LEU HD2 H 0.953 0.020 . 129 13 13 LEU C C 177.435 0.200 . 130 13 13 LEU CA C 58.475 0.200 . 131 13 13 LEU CB C 40.211 0.200 . 132 13 13 LEU CG C 27.482 0.200 . 133 13 13 LEU CD1 C 22.637 0.200 . 134 13 13 LEU CD2 C 25.878 0.200 . 135 13 13 LEU N N 124.085 0.200 . 136 14 14 VAL H H 7.584 0.020 . 137 14 14 VAL HA H 3.455 0.020 . 138 14 14 VAL HB H 2.264 0.020 . 139 14 14 VAL HG1 H 1.219 0.020 . 140 14 14 VAL HG2 H 1.240 0.020 . 141 14 14 VAL C C 177.944 0.200 . 142 14 14 VAL CA C 67.667 0.200 . 143 14 14 VAL CB C 31.692 0.200 . 144 14 14 VAL CG1 C 21.651 0.200 . 145 14 14 VAL CG2 C 23.016 0.200 . 146 14 14 VAL N N 119.053 0.200 . 147 15 15 ASP H H 8.745 0.020 . 148 15 15 ASP HA H 4.666 0.020 . 149 15 15 ASP HB2 H 3.023 0.020 . 150 15 15 ASP HB3 H 2.656 0.020 . 151 15 15 ASP C C 179.812 0.200 . 152 15 15 ASP CA C 57.483 0.200 . 153 15 15 ASP CB C 41.956 0.200 . 154 15 15 ASP N N 118.230 0.200 . 155 16 16 THR H H 7.971 0.020 . 156 16 16 THR HA H 4.089 0.020 . 157 16 16 THR HB H 4.330 0.020 . 158 16 16 THR HG1 H 5.155 0.020 . 159 16 16 THR HG2 H 1.330 0.020 . 160 16 16 THR C C 175.587 0.200 . 161 16 16 THR CA C 68.347 0.200 . 162 16 16 THR CB C 68.020 0.200 . 163 16 16 THR CG2 C 21.689 0.200 . 164 16 16 THR N N 116.840 0.200 . 165 17 17 LEU H H 8.340 0.020 . 166 17 17 LEU HA H 3.744 0.020 . 167 17 17 LEU HB2 H 1.155 0.020 . 168 17 17 LEU HB3 H 0.239 0.020 . 169 17 17 LEU HG H 1.133 0.020 . 170 17 17 LEU HD1 H 0.424 0.020 . 171 17 17 LEU HD2 H 0.579 0.020 . 172 17 17 LEU C C 178.249 0.200 . 173 17 17 LEU CA C 58.788 0.200 . 174 17 17 LEU CB C 41.350 0.200 . 175 17 17 LEU CG C 27.180 0.200 . 176 17 17 LEU CD1 C 25.588 0.200 . 177 17 17 LEU CD2 C 23.941 0.200 . 178 17 17 LEU N N 124.755 0.200 . 179 18 18 GLN H H 8.342 0.020 . 180 18 18 GLN HA H 4.335 0.020 . 181 18 18 GLN HB2 H 2.516 0.020 . 182 18 18 GLN HB3 H 2.454 0.020 . 183 18 18 GLN HG2 H 2.894 0.020 . 184 18 18 GLN HG3 H 2.706 0.020 . 185 18 18 GLN HE21 H 7.433 0.020 . 186 18 18 GLN HE22 H 7.083 0.020 . 187 18 18 GLN C C 178.673 0.200 . 188 18 18 GLN CA C 59.190 0.200 . 189 18 18 GLN CB C 28.721 0.200 . 190 18 18 GLN CG C 34.934 0.200 . 191 18 18 GLN N N 116.756 0.200 . 192 18 18 GLN NE2 N 111.216 0.200 . 193 19 19 PHE H H 7.782 0.020 . 194 19 19 PHE HA H 3.978 0.020 . 195 19 19 PHE HB2 H 2.716 0.020 . 196 19 19 PHE HB3 H 2.398 0.020 . 197 19 19 PHE HD1 H 5.719 0.020 . 198 19 19 PHE HD2 H 5.719 0.020 . 199 19 19 PHE HE1 H 6.518 0.020 . 200 19 19 PHE HE2 H 6.518 0.020 . 201 19 19 PHE HZ H 6.638 0.020 . 202 19 19 PHE C C 176.279 0.200 . 203 19 19 PHE CA C 59.538 0.200 . 204 19 19 PHE CB C 40.754 0.200 . 205 19 19 PHE CD1 C 131.101 0.200 . 206 19 19 PHE CE1 C 129.120 0.200 . 207 19 19 PHE CZ C 127.658 0.200 . 208 19 19 PHE N N 119.888 0.200 . 209 20 20 VAL H H 8.668 0.020 . 210 20 20 VAL HA H 3.269 0.020 . 211 20 20 VAL HB H 1.980 0.020 . 212 20 20 VAL HG1 H 1.073 0.020 . 213 20 20 VAL HG2 H 0.895 0.020 . 214 20 20 VAL C C 178.173 0.200 . 215 20 20 VAL CA C 65.651 0.200 . 216 20 20 VAL CB C 32.148 0.200 . 217 20 20 VAL CG1 C 24.071 0.200 . 218 20 20 VAL CG2 C 21.172 0.200 . 219 20 20 VAL N N 117.834 0.200 . 220 21 21 CYS H H 8.579 0.020 . 221 21 21 CYS HA H 4.880 0.020 . 222 21 21 CYS HB2 H 3.454 0.020 . 223 21 21 CYS HB3 H 2.991 0.020 . 224 21 21 CYS C C 177.388 0.200 . 225 21 21 CYS CA C 53.997 0.200 . 226 21 21 CYS CB C 36.421 0.200 . 227 21 21 CYS N N 114.666 0.200 . 228 22 22 GLY H H 7.943 0.020 . 229 22 22 GLY HA2 H 4.249 0.020 . 230 22 22 GLY HA3 H 4.027 0.020 . 231 22 22 GLY C C 175.935 0.200 . 232 22 22 GLY CA C 47.156 0.200 . 233 22 22 GLY N N 110.358 0.200 . 234 23 23 ASP H H 9.415 0.020 . 235 23 23 ASP HA H 4.815 0.020 . 236 23 23 ASP HB2 H 3.048 0.020 . 237 23 23 ASP HB3 H 2.646 0.020 . 238 23 23 ASP C C 176.987 0.200 . 239 23 23 ASP CA C 56.455 0.200 . 240 23 23 ASP CB C 41.162 0.200 . 241 23 23 ASP N N 126.450 0.200 . 242 24 24 ARG H H 8.329 0.020 . 243 24 24 ARG HA H 4.140 0.020 . 244 24 24 ARG HB2 H 2.295 0.020 . 245 24 24 ARG HB3 H 2.249 0.020 . 246 24 24 ARG HG2 H 2.051 0.020 . 247 24 24 ARG HG3 H 1.849 0.020 . 248 24 24 ARG HD2 H 3.481 0.020 . 249 24 24 ARG HD3 H 3.481 0.020 . 250 24 24 ARG HE H 7.045 0.020 . 251 24 24 ARG C C 178.139 0.200 . 252 24 24 ARG CA C 58.722 0.200 . 253 24 24 ARG CB C 31.578 0.200 . 254 24 24 ARG CG C 27.365 0.200 . 255 24 24 ARG CD C 44.828 0.200 . 256 24 24 ARG N N 118.374 0.200 . 257 24 24 ARG NE N 83.944 0.200 . 258 25 25 GLY H H 7.302 0.020 . 259 25 25 GLY HA2 H 4.194 0.020 . 260 25 25 GLY HA3 H 3.859 0.020 . 261 25 25 GLY C C 172.351 0.200 . 262 25 25 GLY CA C 44.371 0.200 . 263 25 25 GLY N N 102.315 0.200 . 264 26 26 PHE H H 7.628 0.020 . 265 26 26 PHE HA H 5.358 0.020 . 266 26 26 PHE HB2 H 3.434 0.020 . 267 26 26 PHE HB3 H 2.940 0.020 . 268 26 26 PHE HD1 H 6.745 0.020 . 269 26 26 PHE HD2 H 6.745 0.020 . 270 26 26 PHE HE1 H 7.106 0.020 . 271 26 26 PHE HE2 H 7.106 0.020 . 272 26 26 PHE HZ H 7.348 0.020 . 273 26 26 PHE C C 173.385 0.200 . 274 26 26 PHE CA C 56.180 0.200 . 275 26 26 PHE CB C 42.507 0.200 . 276 26 26 PHE CD1 C 132.798 0.200 . 277 26 26 PHE CE1 C 131.162 0.200 . 278 26 26 PHE CZ C 129.733 0.200 . 279 26 26 PHE N N 112.603 0.200 . 280 27 27 TYR H H 8.793 0.020 . 281 27 27 TYR HA H 5.052 0.020 . 282 27 27 TYR HB2 H 3.532 0.020 . 283 27 27 TYR HB3 H 3.144 0.020 . 284 27 27 TYR HD1 H 7.240 0.020 . 285 27 27 TYR HD2 H 7.240 0.020 . 286 27 27 TYR HE1 H 6.911 0.020 . 287 27 27 TYR HE2 H 6.911 0.020 . 288 27 27 TYR C C 174.537 0.200 . 289 27 27 TYR CA C 55.601 0.200 . 290 27 27 TYR CB C 41.495 0.200 . 291 27 27 TYR CD1 C 133.406 0.200 . 292 27 27 TYR CE1 C 118.144 0.200 . 293 27 27 TYR N N 118.698 0.200 . 294 28 28 PHE H H 8.886 0.020 . 295 28 28 PHE HA H 4.912 0.020 . 296 28 28 PHE HB2 H 3.372 0.020 . 297 28 28 PHE HB3 H 3.200 0.020 . 298 28 28 PHE HD1 H 7.395 0.020 . 299 28 28 PHE HD2 H 7.395 0.020 . 300 28 28 PHE HE1 H 7.370 0.020 . 301 28 28 PHE HE2 H 7.370 0.020 . 302 28 28 PHE HZ H 7.412 0.020 . 303 28 28 PHE C C 177.046 0.200 . 304 28 28 PHE CA C 59.155 0.200 . 305 28 28 PHE CB C 40.505 0.200 . 306 28 28 PHE CD1 C 131.360 0.200 . 307 28 28 PHE CE1 C 131.359 0.200 . 308 28 28 PHE CZ C 129.764 0.200 . 309 28 28 PHE N N 116.058 0.200 . 310 29 29 ASN H H 8.269 0.020 . 311 29 29 ASN HA H 5.313 0.020 . 312 29 29 ASN HB2 H 2.937 0.020 . 313 29 29 ASN HB3 H 2.842 0.020 . 314 29 29 ASN HD21 H 7.752 0.020 . 315 29 29 ASN HD22 H 7.084 0.020 . 316 29 29 ASN C C 174.098 0.200 . 317 29 29 ASN CA C 53.313 0.200 . 318 29 29 ASN CB C 41.008 0.200 . 319 29 29 ASN N N 116.436 0.200 . 320 29 29 ASN ND2 N 113.217 0.200 . 321 30 30 ARG H H 8.745 0.020 . 322 30 30 ARG HA H 4.444 0.020 . 323 30 30 ARG HB2 H 1.836 0.020 . 324 30 30 ARG HB3 H 1.698 0.020 . 325 30 30 ARG HG2 H 1.557 0.020 . 326 30 30 ARG HG3 H 1.557 0.020 . 327 30 30 ARG HD2 H 3.020 0.020 . 328 30 30 ARG HD3 H 3.020 0.020 . 329 30 30 ARG HE H 6.944 0.020 . 330 30 30 ARG C C 173.512 0.200 . 331 30 30 ARG CA C 54.588 0.200 . 332 30 30 ARG CB C 29.986 0.200 . 333 30 30 ARG CG C 26.969 0.200 . 334 30 30 ARG CD C 43.478 0.200 . 335 30 30 ARG N N 121.334 0.200 . 336 30 30 ARG NE N 84.388 0.200 . 337 31 31 PRO HA H 4.284 0.020 . 338 31 31 PRO HB2 H 2.134 0.020 . 339 31 31 PRO HB3 H 1.874 0.020 . 340 31 31 PRO HG2 H 1.969 0.020 . 341 31 31 PRO HG3 H 1.824 0.020 . 342 31 31 PRO HD2 H 3.454 0.020 . 343 31 31 PRO HD3 H 3.454 0.020 . 344 31 31 PRO C C 176.631 0.200 . 345 31 31 PRO CA C 62.904 0.200 . 346 31 31 PRO CB C 31.944 0.200 . 347 31 31 PRO CG C 27.397 0.200 . 348 31 31 PRO CD C 50.333 0.200 . 349 32 32 ALA H H 8.481 0.020 . 350 32 32 ALA HA H 4.294 0.020 . 351 32 32 ALA HB H 1.494 0.020 . 352 32 32 ALA C C 177.971 0.200 . 353 32 32 ALA CA C 53.094 0.200 . 354 32 32 ALA CB C 19.540 0.200 . 355 32 32 ALA N N 124.176 0.200 . 356 33 33 SER H H 8.234 0.020 . 357 33 33 SER HA H 4.550 0.020 . 358 33 33 SER HB2 H 4.033 0.020 . 359 33 33 SER HB3 H 3.925 0.020 . 360 33 33 SER C C 174.872 0.200 . 361 33 33 SER CA C 58.183 0.200 . 362 33 33 SER CB C 64.092 0.200 . 363 33 33 SER N N 113.823 0.200 . 364 34 34 ARG H H 8.482 0.020 . 365 34 34 ARG HA H 4.433 0.020 . 366 34 34 ARG HB2 H 2.019 0.020 . 367 34 34 ARG HB3 H 1.868 0.020 . 368 34 34 ARG HG2 H 1.720 0.020 . 369 34 34 ARG HG3 H 1.720 0.020 . 370 34 34 ARG HD2 H 3.289 0.020 . 371 34 34 ARG HD3 H 3.289 0.020 . 372 34 34 ARG C C 176.522 0.200 . 373 34 34 ARG CA C 56.752 0.200 . 374 34 34 ARG CB C 30.543 0.200 . 375 34 34 ARG CG C 27.292 0.200 . 376 34 34 ARG N N 122.147 0.200 . 377 35 35 VAL H H 7.951 0.020 . 378 35 35 VAL HA H 4.257 0.020 . 379 35 35 VAL HB H 2.203 0.020 . 380 35 35 VAL HG1 H 1.017 0.020 . 381 35 35 VAL HG2 H 1.003 0.020 . 382 35 35 VAL C C 176.168 0.200 . 383 35 35 VAL CA C 62.526 0.200 . 384 35 35 VAL CB C 32.792 0.200 . 385 35 35 VAL CG1 C 21.306 0.200 . 386 35 35 VAL CG2 C 20.532 0.200 . 387 35 35 VAL N N 118.272 0.200 . 388 36 36 SER H H 8.205 0.020 . 389 36 36 SER HA H 4.579 0.020 . 390 36 36 SER HB2 H 4.012 0.020 . 391 36 36 SER HB3 H 3.936 0.020 . 392 36 36 SER C C 174.914 0.200 . 393 36 36 SER CA C 58.254 0.200 . 394 36 36 SER CB C 64.072 0.200 . 395 36 36 SER N N 118.101 0.200 . 396 37 37 ARG H H 8.446 0.020 . 397 37 37 ARG HA H 4.396 0.020 . 398 37 37 ARG HB2 H 2.006 0.020 . 399 37 37 ARG HB3 H 1.897 0.020 . 400 37 37 ARG HG2 H 1.751 0.020 . 401 37 37 ARG HG3 H 1.751 0.020 . 402 37 37 ARG C C 176.447 0.200 . 403 37 37 ARG CA C 56.986 0.200 . 404 37 37 ARG CB C 30.528 0.200 . 405 37 37 ARG CG C 27.322 0.200 . 406 37 37 ARG N N 122.442 0.200 . 407 38 38 ARG H H 8.303 0.020 . 408 38 38 ARG HA H 4.410 0.020 . 409 38 38 ARG HB2 H 2.007 0.020 . 410 38 38 ARG HB3 H 1.848 0.020 . 411 38 38 ARG HG2 H 1.732 0.020 . 412 38 38 ARG HG3 H 1.732 0.020 . 413 38 38 ARG HD2 H 3.301 0.020 . 414 38 38 ARG HD3 H 3.301 0.020 . 415 38 38 ARG C C 176.103 0.200 . 416 38 38 ARG CA C 56.933 0.200 . 417 38 38 ARG CB C 30.605 0.200 . 418 38 38 ARG CG C 27.312 0.200 . 419 38 38 ARG N N 119.473 0.200 . 420 39 39 SER H H 7.994 0.020 . 421 39 39 SER HA H 4.870 0.020 . 422 39 39 SER HB2 H 3.966 0.020 . 423 39 39 SER HB3 H 3.918 0.020 . 424 39 39 SER C C 172.454 0.200 . 425 39 39 SER CA C 56.515 0.200 . 426 39 39 SER CB C 63.529 0.200 . 427 39 39 SER N N 116.882 0.200 . 428 40 40 PRO HA H 4.558 0.020 . 429 40 40 PRO HB2 H 2.398 0.020 . 430 40 40 PRO HB3 H 2.010 0.020 . 431 40 40 PRO HG2 H 2.095 0.020 . 432 40 40 PRO HG3 H 2.095 0.020 . 433 40 40 PRO HD2 H 3.886 0.020 . 434 40 40 PRO HD3 H 3.789 0.020 . 435 40 40 PRO C C 176.844 0.200 . 436 40 40 PRO CA C 63.239 0.200 . 437 40 40 PRO CB C 32.235 0.200 . 438 40 40 PRO CG C 27.490 0.200 . 439 40 40 PRO CD C 50.867 0.200 . 440 41 41 GLN H H 8.586 0.020 . 441 41 41 GLN HA H 4.462 0.020 . 442 41 41 GLN HB2 H 2.200 0.020 . 443 41 41 GLN HB3 H 2.085 0.020 . 444 41 41 GLN HG2 H 2.481 0.020 . 445 41 41 GLN HG3 H 2.481 0.020 . 446 41 41 GLN HE21 H 7.444 0.020 . 447 41 41 GLN HE22 H 6.900 0.020 . 448 41 41 GLN C C 175.963 0.200 . 449 41 41 GLN CA C 55.947 0.200 . 450 41 41 GLN CB C 30.040 0.200 . 451 41 41 GLN CG C 34.166 0.200 . 452 41 41 GLN N N 121.410 0.200 . 453 41 41 GLN NE2 N 112.242 0.200 . 454 42 42 ARG H H 8.722 0.020 . 455 42 42 ARG HA H 4.675 0.020 . 456 42 42 ARG HB2 H 2.030 0.020 . 457 42 42 ARG HB3 H 1.913 0.020 . 458 42 42 ARG HG2 H 1.765 0.020 . 459 42 42 ARG HG3 H 1.765 0.020 . 460 42 42 ARG HD2 H 3.244 0.020 . 461 42 42 ARG HD3 H 3.244 0.020 . 462 42 42 ARG HE H 7.528 0.020 . 463 42 42 ARG C C 176.612 0.200 . 464 42 42 ARG CA C 55.853 0.200 . 465 42 42 ARG CB C 32.107 0.200 . 466 42 42 ARG CG C 27.486 0.200 . 467 42 42 ARG CD C 43.577 0.200 . 468 42 42 ARG N N 122.535 0.200 . 469 42 42 ARG NE N 84.897 0.200 . 470 43 43 GLY H H 8.687 0.020 . 471 43 43 GLY HA2 H 4.680 0.020 . 472 43 43 GLY HA3 H 4.337 0.020 . 473 43 43 GLY C C 174.170 0.200 . 474 43 43 GLY CA C 45.596 0.200 . 475 43 43 GLY N N 111.316 0.200 . 476 44 44 ILE H H 7.978 0.020 . 477 44 44 ILE HA H 3.632 0.020 . 478 44 44 ILE HB H 0.606 0.020 . 479 44 44 ILE HG12 H 0.875 0.020 . 480 44 44 ILE HG13 H 1.036 0.020 . 481 44 44 ILE HG2 H 0.798 0.020 . 482 44 44 ILE HD1 H 0.524 0.020 . 483 44 44 ILE C C 176.640 0.200 . 484 44 44 ILE CA C 63.091 0.200 . 485 44 44 ILE CB C 37.140 0.200 . 486 44 44 ILE CG1 C 29.747 0.200 . 487 44 44 ILE CG2 C 18.412 0.200 . 488 44 44 ILE CD1 C 15.558 0.200 . 489 44 44 ILE N N 120.670 0.200 . 490 45 45 VAL H H 8.312 0.020 . 491 45 45 VAL HA H 3.469 0.020 . 492 45 45 VAL HB H 1.952 0.020 . 493 45 45 VAL HG1 H 1.039 0.020 . 494 45 45 VAL HG2 H 0.658 0.020 . 495 45 45 VAL C C 178.917 0.200 . 496 45 45 VAL CA C 66.731 0.200 . 497 45 45 VAL CB C 31.304 0.200 . 498 45 45 VAL CG1 C 23.073 0.200 . 499 45 45 VAL CG2 C 21.454 0.200 . 500 45 45 VAL N N 123.920 0.200 . 501 46 46 GLU H H 8.115 0.020 . 502 46 46 GLU HA H 3.980 0.020 . 503 46 46 GLU HB2 H 2.354 0.020 . 504 46 46 GLU HB3 H 2.130 0.020 . 505 46 46 GLU HG2 H 2.546 0.020 . 506 46 46 GLU HG3 H 2.415 0.020 . 507 46 46 GLU C C 177.628 0.200 . 508 46 46 GLU CA C 60.341 0.200 . 509 46 46 GLU CB C 29.284 0.200 . 510 46 46 GLU CG C 37.032 0.200 . 511 46 46 GLU N N 121.231 0.200 . 512 47 47 GLU H H 7.613 0.020 . 513 47 47 GLU HA H 4.383 0.020 . 514 47 47 GLU HB2 H 2.172 0.020 . 515 47 47 GLU HB3 H 1.964 0.020 . 516 47 47 GLU HG2 H 2.577 0.020 . 517 47 47 GLU HG3 H 2.347 0.020 . 518 47 47 GLU C C 176.887 0.200 . 519 47 47 GLU CA C 58.547 0.200 . 520 47 47 GLU CB C 31.380 0.200 . 521 47 47 GLU CG C 35.883 0.200 . 522 47 47 GLU N N 113.433 0.200 . 523 48 48 CYS H H 8.220 0.020 . 524 48 48 CYS HA H 5.140 0.020 . 525 48 48 CYS HB2 H 3.235 0.020 . 526 48 48 CYS HB3 H 2.910 0.020 . 527 48 48 CYS C C 174.443 0.200 . 528 48 48 CYS CA C 55.427 0.200 . 529 48 48 CYS CB C 45.148 0.200 . 530 48 48 CYS N N 109.811 0.200 . 531 49 49 CYS H H 8.258 0.020 . 532 49 49 CYS HA H 4.822 0.020 . 533 49 49 CYS HB2 H 3.763 0.020 . 534 49 49 CYS HB3 H 3.206 0.020 . 535 49 49 CYS C C 175.273 0.200 . 536 49 49 CYS CA C 56.846 0.200 . 537 49 49 CYS CB C 39.133 0.200 . 538 49 49 CYS N N 117.367 0.200 . 539 50 50 PHE H H 7.881 0.020 . 540 50 50 PHE HA H 4.788 0.020 . 541 50 50 PHE HB2 H 3.585 0.020 . 542 50 50 PHE HB3 H 3.343 0.020 . 543 50 50 PHE HD1 H 7.298 0.020 . 544 50 50 PHE HD2 H 7.298 0.020 . 545 50 50 PHE HE1 H 7.439 0.020 . 546 50 50 PHE HE2 H 7.439 0.020 . 547 50 50 PHE HZ H 7.369 0.020 . 548 50 50 PHE C C 175.970 0.200 . 549 50 50 PHE CA C 57.222 0.200 . 550 50 50 PHE CB C 38.007 0.200 . 551 50 50 PHE CD1 C 130.646 0.200 . 552 50 50 PHE CE1 C 131.690 0.200 . 553 50 50 PHE CZ C 129.898 0.200 . 554 50 50 PHE N N 116.799 0.200 . 555 51 51 ARG H H 7.533 0.020 . 556 51 51 ARG HA H 4.483 0.020 . 557 51 51 ARG HB2 H 2.040 0.020 . 558 51 51 ARG HB3 H 1.924 0.020 . 559 51 51 ARG HG2 H 1.836 0.020 . 560 51 51 ARG HG3 H 1.762 0.020 . 561 51 51 ARG HD2 H 3.355 0.020 . 562 51 51 ARG HD3 H 3.319 0.020 . 563 51 51 ARG HE H 7.401 0.020 . 564 51 51 ARG C C 172.604 0.200 . 565 51 51 ARG CA C 54.614 0.200 . 566 51 51 ARG CB C 32.408 0.200 . 567 51 51 ARG CG C 27.001 0.200 . 568 51 51 ARG CD C 44.002 0.200 . 569 51 51 ARG N N 118.002 0.200 . 570 51 51 ARG NE N 85.731 0.200 . 571 52 52 SER H H 7.774 0.020 . 572 52 52 SER HA H 4.917 0.020 . 573 52 52 SER HB2 H 3.941 0.020 . 574 52 52 SER HB3 H 3.906 0.020 . 575 52 52 SER C C 174.636 0.200 . 576 52 52 SER CA C 58.275 0.200 . 577 52 52 SER CB C 64.800 0.200 . 578 52 52 SER N N 110.810 0.200 . 579 53 53 CYS H H 9.683 0.020 . 580 53 53 CYS HA H 5.319 0.020 . 581 53 53 CYS HB2 H 3.796 0.020 . 582 53 53 CYS HB3 H 3.412 0.020 . 583 53 53 CYS C C 171.338 0.200 . 584 53 53 CYS CA C 53.325 0.200 . 585 53 53 CYS CB C 47.544 0.200 . 586 53 53 CYS N N 120.471 0.200 . 587 54 54 ASP H H 7.515 0.020 . 588 54 54 ASP HA H 4.613 0.020 . 589 54 54 ASP HB2 H 3.182 0.020 . 590 54 54 ASP HB3 H 2.604 0.020 . 591 54 54 ASP C C 175.460 0.200 . 592 54 54 ASP CA C 51.443 0.200 . 593 54 54 ASP CB C 42.790 0.200 . 594 54 54 ASP N N 115.694 0.200 . 595 55 55 LEU H H 7.337 0.020 . 596 55 55 LEU HA H 4.201 0.020 . 597 55 55 LEU HB2 H 2.171 0.020 . 598 55 55 LEU HB3 H 1.337 0.020 . 599 55 55 LEU HG H 2.279 0.020 . 600 55 55 LEU HD1 H 1.077 0.020 . 601 55 55 LEU HD2 H 1.292 0.020 . 602 55 55 LEU C C 177.863 0.200 . 603 55 55 LEU CA C 58.234 0.200 . 604 55 55 LEU CB C 42.770 0.200 . 605 55 55 LEU CG C 27.168 0.200 . 606 55 55 LEU CD1 C 22.990 0.200 . 607 55 55 LEU CD2 C 27.248 0.200 . 608 55 55 LEU N N 117.085 0.200 . 609 56 56 ALA H H 8.483 0.020 . 610 56 56 ALA HA H 4.063 0.020 . 611 56 56 ALA HB H 1.502 0.020 . 612 56 56 ALA C C 180.116 0.200 . 613 56 56 ALA CA C 55.278 0.200 . 614 56 56 ALA CB C 17.624 0.200 . 615 56 56 ALA N N 120.427 0.200 . 616 57 57 LEU H H 8.013 0.020 . 617 57 57 LEU HA H 4.421 0.020 . 618 57 57 LEU HB2 H 2.099 0.020 . 619 57 57 LEU HB3 H 2.030 0.020 . 620 57 57 LEU HG H 1.960 0.020 . 621 57 57 LEU HD1 H 1.160 0.020 . 622 57 57 LEU HD2 H 1.160 0.020 . 623 57 57 LEU C C 181.648 0.200 . 624 57 57 LEU CA C 57.980 0.200 . 625 57 57 LEU CB C 41.639 0.200 . 626 57 57 LEU CG C 28.085 0.200 . 627 57 57 LEU CD1 C 25.247 0.200 . 628 57 57 LEU N N 120.552 0.200 . 629 58 58 LEU H H 8.335 0.020 . 630 58 58 LEU HA H 4.000 0.020 . 631 58 58 LEU HB2 H 2.093 0.020 . 632 58 58 LEU HB3 H 1.648 0.020 . 633 58 58 LEU HG H 1.846 0.020 . 634 58 58 LEU HD1 H 0.814 0.020 . 635 58 58 LEU HD2 H 0.873 0.020 . 636 58 58 LEU C C 177.817 0.200 . 637 58 58 LEU CA C 60.269 0.200 . 638 58 58 LEU CB C 42.218 0.200 . 639 58 58 LEU CG C 27.577 0.200 . 640 58 58 LEU CD1 C 26.509 0.200 . 641 58 58 LEU CD2 C 27.831 0.200 . 642 58 58 LEU N N 123.936 0.200 . 643 59 59 GLU H H 8.047 0.020 . 644 59 59 GLU HA H 4.460 0.020 . 645 59 59 GLU HB2 H 2.258 0.020 . 646 59 59 GLU HB3 H 2.078 0.020 . 647 59 59 GLU HG2 H 2.627 0.020 . 648 59 59 GLU HG3 H 2.399 0.020 . 649 59 59 GLU C C 178.942 0.200 . 650 59 59 GLU CA C 57.795 0.200 . 651 59 59 GLU CB C 29.395 0.200 . 652 59 59 GLU CG C 36.351 0.200 . 653 59 59 GLU N N 115.624 0.200 . 654 60 60 THR H H 8.046 0.020 . 655 60 60 THR HA H 4.405 0.020 . 656 60 60 THR HB H 4.442 0.020 . 657 60 60 THR HG2 H 1.604 0.020 . 658 60 60 THR C C 175.502 0.200 . 659 60 60 THR CA C 64.604 0.200 . 660 60 60 THR CB C 69.679 0.200 . 661 60 60 THR CG2 C 21.729 0.200 . 662 60 60 THR N N 110.584 0.200 . 663 61 61 TYR H H 8.291 0.020 . 664 61 61 TYR HA H 4.405 0.020 . 665 61 61 TYR HB2 H 3.997 0.020 . 666 61 61 TYR HB3 H 3.101 0.020 . 667 61 61 TYR HD1 H 7.399 0.020 . 668 61 61 TYR HD2 H 7.399 0.020 . 669 61 61 TYR HE1 H 6.645 0.020 . 670 61 61 TYR HE2 H 6.645 0.020 . 671 61 61 TYR C C 175.513 0.200 . 672 61 61 TYR CA C 60.557 0.200 . 673 61 61 TYR CB C 36.784 0.200 . 674 61 61 TYR CD1 C 134.390 0.200 . 675 61 61 TYR CE1 C 117.132 0.200 . 676 61 61 TYR N N 120.927 0.200 . 677 62 62 CYS H H 7.606 0.020 . 678 62 62 CYS HA H 5.332 0.020 . 679 62 62 CYS HB2 H 3.241 0.020 . 680 62 62 CYS HB3 H 2.912 0.020 . 681 62 62 CYS C C 176.115 0.200 . 682 62 62 CYS CA C 53.161 0.200 . 683 62 62 CYS CB C 34.413 0.200 . 684 62 62 CYS N N 116.519 0.200 . 685 63 63 ALA H H 8.214 0.020 . 686 63 63 ALA HA H 4.266 0.020 . 687 63 63 ALA HB H 1.216 0.020 . 688 63 63 ALA C C 176.905 0.200 . 689 63 63 ALA CA C 53.142 0.200 . 690 63 63 ALA CB C 18.707 0.200 . 691 63 63 ALA N N 125.662 0.200 . 692 64 64 THR H H 7.778 0.020 . 693 64 64 THR HA H 4.796 0.020 . 694 64 64 THR HB H 4.292 0.020 . 695 64 64 THR HG2 H 1.377 0.020 . 696 64 64 THR C C 172.855 0.200 . 697 64 64 THR CA C 59.426 0.200 . 698 64 64 THR CB C 70.216 0.200 . 699 64 64 THR CG2 C 21.802 0.200 . 700 64 64 THR N N 112.409 0.200 . 701 65 65 PRO HA H 4.555 0.020 . 702 65 65 PRO HB2 H 2.413 0.020 . 703 65 65 PRO HB3 H 2.035 0.020 . 704 65 65 PRO HG2 H 2.164 0.020 . 705 65 65 PRO HG3 H 2.091 0.020 . 706 65 65 PRO HD2 H 3.901 0.020 . 707 65 65 PRO HD3 H 3.848 0.020 . 708 65 65 PRO C C 176.460 0.200 . 709 65 65 PRO CB C 32.301 0.200 . 710 65 65 PRO CG C 27.494 0.200 . 711 65 65 PRO CD C 51.060 0.200 . 712 66 66 ALA H H 8.500 0.020 . 713 66 66 ALA HA H 4.350 0.020 . 714 66 66 ALA HB H 1.488 0.020 . 715 66 66 ALA C C 177.599 0.200 . 716 66 66 ALA CA C 52.564 0.200 . 717 66 66 ALA CB C 19.470 0.200 . 718 66 66 ALA N N 124.356 0.200 . 719 67 67 LYS H H 8.357 0.020 . 720 67 67 LYS HA H 4.462 0.020 . 721 67 67 LYS HB2 H 1.959 0.020 . 722 67 67 LYS HB3 H 1.871 0.020 . 723 67 67 LYS HG2 H 1.541 0.020 . 724 67 67 LYS HG3 H 1.541 0.020 . 725 67 67 LYS HE2 H 3.102 0.020 . 726 67 67 LYS HE3 H 3.102 0.020 . 727 67 67 LYS C C 176.445 0.200 . 728 67 67 LYS CA C 56.325 0.200 . 729 67 67 LYS CB C 33.450 0.200 . 730 67 67 LYS CG C 24.720 0.200 . 731 67 67 LYS CE C 42.260 0.200 . 732 67 67 LYS N N 120.656 0.200 . 733 68 68 SER H H 8.441 0.020 . 734 68 68 SER HA H 4.571 0.020 . 735 68 68 SER HB2 H 3.966 0.020 . 736 68 68 SER HB3 H 3.966 0.020 . 737 68 68 SER C C 173.593 0.200 . 738 68 68 SER CB C 64.098 0.200 . 739 68 68 SER N N 118.039 0.200 . 740 69 69 GLU H H 8.070 0.020 . 741 69 69 GLU HA H 4.298 0.020 . 742 69 69 GLU HB2 H 2.192 0.020 . 743 69 69 GLU HB3 H 2.008 0.020 . 744 69 69 GLU HG2 H 2.372 0.020 . 745 69 69 GLU HG3 H 2.372 0.020 . 746 69 69 GLU C C 180.614 0.200 . 747 69 69 GLU CA C 57.696 0.200 . 748 69 69 GLU CB C 30.710 0.200 . 749 69 69 GLU N N 127.097 0.200 . stop_ save_