data_19966 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and function of the JAK interaction region in the intrinsically disordered N-terminus of SOCS5 ; _BMRB_accession_number 19966 _BMRB_flat_file_name bmr19966.str _Entry_type original _Submission_date 2014-05-12 _Accession_date 2014-05-12 _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 Chandrashekaran Indu R. . 2 Mohanty Biswaranjan . . 3 Linossi Edmond M. . 4 Dagley Laura F. . 5 Murphy James M. . 6 Nicholson Sandra E. . 7 Babon Jeffrey J. . 8 Norton Raymond S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 392 "13C chemical shifts" 232 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-05-18 update author 'update chemical shifts' 2015-05-18 original author 'original release' stop_ _Original_release_date 2015-05-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and function of the JAK interaction region in the intrinsically disordered N-terminus of SOCS5 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chandrashekaran Indu R. . 2 Mohanty Biswaranjan . . 3 Linossi Edmond M. . 4 Dagley Laura F. . 5 Murphy James M. . 6 Nicholson Sandra E. . 7 Babon Jeffrey J. . 8 Norton Raymond S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminus of SOCS5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminus of SOCS5' $SOCS5_JIR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SOCS5_JIR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8116.588 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; RSLRQRLQDTVGLCFPMRTY SKQSKPLFSNKRKIHLSELM LEKCPFPAGSDLAQKWHLIK QHTAPVSPHS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 175 ARG 2 176 SER 3 177 LEU 4 178 ARG 5 179 GLN 6 180 ARG 7 181 LEU 8 182 GLN 9 183 ASP 10 184 THR 11 185 VAL 12 186 GLY 13 187 LEU 14 188 CYS 15 189 PHE 16 190 PRO 17 191 MET 18 192 ARG 19 193 THR 20 194 TYR 21 195 SER 22 196 LYS 23 197 GLN 24 198 SER 25 199 LYS 26 200 PRO 27 201 LEU 28 202 PHE 29 203 SER 30 204 ASN 31 205 LYS 32 206 ARG 33 207 LYS 34 208 ILE 35 209 HIS 36 210 LEU 37 211 SER 38 212 GLU 39 213 LEU 40 214 MET 41 215 LEU 42 216 GLU 43 217 LYS 44 218 CYS 45 219 PRO 46 220 PHE 47 221 PRO 48 222 ALA 49 223 GLY 50 224 SER 51 225 ASP 52 226 LEU 53 227 ALA 54 228 GLN 55 229 LYS 56 230 TRP 57 231 HIS 58 232 LEU 59 233 ILE 60 234 LYS 61 235 GLN 62 236 HIS 63 237 THR 64 238 ALA 65 239 PRO 66 240 VAL 67 241 SER 68 242 PRO 69 243 HIS 70 244 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2N34 "Nmr Assignments And Solution Structure Of The Jak Interaction Region Of Socs5" 100.00 70 100.00 100.00 4.05e-43 DBJ BAA31646 "KIAA0671 protein [Homo sapiens]" 100.00 536 100.00 100.00 7.91e-40 DBJ BAF82883 "unnamed protein product [Homo sapiens]" 100.00 536 100.00 100.00 7.91e-40 DBJ BAG11225 "suppressor of cytokine signaling 5 [synthetic construct]" 100.00 536 100.00 100.00 7.91e-40 DBJ BAG59372 "unnamed protein product [Homo sapiens]" 100.00 505 100.00 100.00 7.11e-40 EMBL CAB66830 "hypothetical protein [Homo sapiens]" 100.00 536 100.00 100.00 7.91e-40 GB AAB96648 "SOCS-5 [Mus musculus]" 100.00 536 100.00 100.00 8.14e-40 GB AAD40484 "cytokine-inducible SH2 protein 6 [Homo sapiens]" 100.00 536 100.00 100.00 7.91e-40 GB AAH32862 "SOCS5 protein [Homo sapiens]" 100.00 536 100.00 100.00 7.91e-40 GB AAH53015 "Suppressor of cytokine signaling 5 [Mus musculus]" 100.00 536 100.00 100.00 7.91e-40 GB AAI14097 "Suppressor of cytokine signaling 5 [Bos taurus]" 100.00 536 100.00 100.00 8.23e-40 REF NP_001039647 "suppressor of cytokine signaling 5 [Bos taurus]" 100.00 536 100.00 100.00 8.23e-40 REF NP_001102744 "suppressor of cytokine signaling 5 [Rattus norvegicus]" 100.00 536 100.00 100.00 7.52e-40 REF NP_001120786 "suppressor of cytokine signaling 5 [Gallus gallus]" 100.00 536 100.00 100.00 7.23e-40 REF NP_001156362 "suppressor of cytokine signaling 5 [Sus scrofa]" 100.00 536 98.57 100.00 1.71e-39 REF NP_001253857 "suppressor of cytokine signaling 5 [Macaca mulatta]" 100.00 536 100.00 100.00 7.91e-40 SP O54928 "RecName: Full=Suppressor of cytokine signaling 5; Short=SOCS-5; AltName: Full=Cytokine-inducible SH2-containing protein 5" 100.00 536 100.00 100.00 7.91e-40 SP O75159 "RecName: Full=Suppressor of cytokine signaling 5; Short=SOCS-5; AltName: Full=Cytokine-inducible SH2 protein 6; Short=CIS-6; Al" 100.00 536 100.00 100.00 7.91e-40 SP Q29RN6 "RecName: Full=Suppressor of cytokine signaling 5; Short=SOCS-5" 100.00 536 100.00 100.00 8.23e-40 TPG DAA24700 "TPA: suppressor of cytokine signaling 5 [Bos taurus]" 100.00 536 100.00 100.00 8.39e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SOCS5_JIR 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $SOCS5_JIR 'recombinant technology' . Escherichia coli Rosettagami pGEX2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SOCS5_JIR 0.3 mM '[U-100% 13C; U-100% 15N]' TCEP 5 mM 'natural abundance' 'Sodium Citrate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 6 % '[U-100% 2H]' H2O 94 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version v8.2.33 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPALp _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CANDID _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'NOE assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 0.02 . M pH 4.5 . pH pressure 1 . atm temperature 303 . 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 dioxane C 13 'methylene protons' ppm 0.00 internal indirect . . . 0.251449530 dioxane H 1 'methylene protons' ppm 3.75 internal direct . . . 1 dioxane N 15 'methylene protons' ppm 0.00 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 'N-terminus of SOCS5' _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 1 175 1 ARG CA C 55.675 0.1 1 2 175 1 ARG CB C 31.032 0.1 1 3 176 2 SER HA H 4.505 0.01 1 4 176 2 SER HB2 H 3.871 0.01 2 5 176 2 SER HB3 H 3.871 0.01 2 6 176 2 SER CA C 57.901 0.1 1 7 176 2 SER CB C 63.955 0.1 1 8 177 3 LEU H H 8.509 0.01 1 9 177 3 LEU HA H 4.291 0.01 1 10 177 3 LEU HB2 H 1.58 0.01 2 11 177 3 LEU HB3 H 1.58 0.01 2 12 177 3 LEU CA C 55.62 0.1 1 13 177 3 LEU CB C 42.389 0.1 1 14 177 3 LEU N N 124.292 0.1 1 15 178 4 ARG H H 8.245 0.01 1 16 178 4 ARG HA H 4.219 0.01 1 17 178 4 ARG HB2 H 1.718 0.01 2 18 178 4 ARG HB3 H 1.78 0.01 2 19 178 4 ARG HG2 H 1.545 0.01 2 20 178 4 ARG HG3 H 1.545 0.01 2 21 178 4 ARG CA C 56.755 0.1 1 22 178 4 ARG CB C 30.701 0.1 1 23 178 4 ARG CG C 27.16 0.1 1 24 178 4 ARG N N 120.24 0.1 1 25 179 5 GLN H H 8.194 0.01 1 26 179 5 GLN HA H 4.29 0.01 1 27 179 5 GLN HB2 H 1.976 0.01 2 28 179 5 GLN HB3 H 1.976 0.01 2 29 179 5 GLN HG2 H 2.31 0.01 2 30 179 5 GLN HG3 H 2.31 0.01 2 31 179 5 GLN CA C 56.618 0.1 1 32 179 5 GLN CB C 29.428 0.1 1 33 179 5 GLN CG C 33.747 0.1 1 34 179 5 GLN N N 120.577 0.1 1 35 180 6 ARG H H 8.347 0.01 1 36 180 6 ARG HA H 4.242 0.01 1 37 180 6 ARG HB2 H 1.724 0.01 2 38 180 6 ARG HB3 H 1.803 0.01 2 39 180 6 ARG HG2 H 1.563 0.01 2 40 180 6 ARG HG3 H 1.6 0.01 2 41 180 6 ARG HD2 H 3.147 0.01 2 42 180 6 ARG HD3 H 3.113 0.01 2 43 180 6 ARG CA C 56.372 0.1 1 44 180 6 ARG CB C 30.83 0.1 1 45 180 6 ARG CG C 26.983 0.1 1 46 180 6 ARG CD C 43.37 0.1 1 47 180 6 ARG N N 121.596 0.1 1 48 181 7 LEU H H 8.272 0.01 1 49 181 7 LEU HA H 4.246 0.01 1 50 181 7 LEU HB2 H 1.626 0.01 2 51 181 7 LEU HB3 H 1.53 0.01 2 52 181 7 LEU HG H 1.602 0.01 1 53 181 7 LEU HD1 H 0.828 0.01 1 54 181 7 LEU HD2 H 0.898 0.01 1 55 181 7 LEU CA C 55.758 0.1 1 56 181 7 LEU CB C 42.261 0.1 1 57 181 7 LEU CG C 27 0.1 1 58 181 7 LEU CD1 C 23.52 0.1 2 59 181 7 LEU CD2 C 25.023 0.1 2 60 181 7 LEU N N 122.669 0.1 1 61 182 8 GLN H H 8.279 0.01 1 62 182 8 GLN HA H 4.242 0.01 1 63 182 8 GLN HB2 H 2.02 0.01 2 64 182 8 GLN HB3 H 2.02 0.01 2 65 182 8 GLN HG2 H 2.31 0.01 2 66 182 8 GLN HG3 H 2.31 0.01 2 67 182 8 GLN CA C 56.452 0.1 1 68 182 8 GLN CB C 29.838 0.1 1 69 182 8 GLN CG C 33.8 0.1 1 70 182 8 GLN N N 119.205 0.1 1 71 183 9 ASP H H 8.182 0.01 1 72 183 9 ASP HA H 4.621 0.01 1 73 183 9 ASP HB2 H 2.716 0.01 2 74 183 9 ASP HB3 H 2.664 0.01 2 75 183 9 ASP CA C 54.458 0.1 1 76 183 9 ASP CB C 40.744 0.1 1 77 183 9 ASP N N 120.061 0.1 1 78 184 10 THR H H 7.98 0.01 1 79 184 10 THR HA H 4.288 0.01 1 80 184 10 THR HB H 4.215 0.01 1 81 184 10 THR HG2 H 1.146 0.01 1 82 184 10 THR CA C 61.912 0.1 1 83 184 10 THR CB C 69.739 0.1 1 84 184 10 THR CG2 C 21.295 0.1 1 85 184 10 THR N N 112.892 0.1 1 86 185 11 VAL H H 7.98 0.01 1 87 185 11 VAL HA H 4.041 0.01 1 88 185 11 VAL HB H 2.06 0.01 1 89 185 11 VAL HG1 H 0.923 0.01 1 90 185 11 VAL HG2 H 0.923 0.01 1 91 185 11 VAL CA C 62.89 0.1 1 92 185 11 VAL CB C 32.642 0.1 1 93 185 11 VAL CG1 C 20.837 0.1 1 94 185 11 VAL CG2 C 20.837 0.1 1 95 185 11 VAL N N 121.435 0.1 1 96 186 12 GLY H H 8.326 0.01 1 97 186 12 GLY HA2 H 3.876 0.01 2 98 186 12 GLY HA3 H 3.908 0.01 2 99 186 12 GLY CA C 45.424 0.1 1 100 186 12 GLY N N 110.923 0.1 1 101 187 13 LEU H H 7.899 0.01 1 102 187 13 LEU HA H 4.261 0.01 1 103 187 13 LEU HB2 H 1.509 0.01 2 104 187 13 LEU HB3 H 1.454 0.01 2 105 187 13 LEU HG H 1.519 0.01 1 106 187 13 LEU HD1 H 0.814 0.01 1 107 187 13 LEU HD2 H 0.819 0.01 1 108 187 13 LEU CA C 55.351 0.1 1 109 187 13 LEU CB C 42.624 0.1 1 110 187 13 LEU CG C 26.975 0.1 1 111 187 13 LEU CD1 C 23.511 0.1 2 112 187 13 LEU CD2 C 24.829 0.1 2 113 187 13 LEU N N 120.586 0.1 1 114 188 14 CYS H H 8.089 0.01 1 115 188 14 CYS HA H 4.374 0.01 1 116 188 14 CYS HB2 H 2.743 0.01 2 117 188 14 CYS HB3 H 2.743 0.01 2 118 188 14 CYS CA C 57.984 0.1 1 119 188 14 CYS CB C 28.232 0.1 1 120 188 14 CYS N N 118.574 0.1 1 121 189 15 PHE H H 8.158 0.01 1 122 189 15 PHE HA H 4.241 0.01 1 123 189 15 PHE HB2 H 3.106 0.01 2 124 189 15 PHE HB3 H 3.106 0.01 2 125 189 15 PHE HD1 H 7.239 0.01 3 126 189 15 PHE HD2 H 7.239 0.01 3 127 189 15 PHE CA C 55.932 0.1 1 128 189 15 PHE CB C 43.424 0.1 1 129 189 15 PHE CD1 C 129.822 0.1 1 130 189 15 PHE CD2 C 129.822 0.1 1 131 189 15 PHE N N 122.189 0.1 1 132 190 16 PRO HA H 4.386 0.01 1 133 190 16 PRO HB2 H 2.226 0.01 2 134 190 16 PRO HB3 H 2.226 0.01 2 135 190 16 PRO HG2 H 1.953 0.01 2 136 190 16 PRO HG3 H 1.953 0.01 2 137 190 16 PRO HD2 H 3.719 0.01 2 138 190 16 PRO HD3 H 3.537 0.01 2 139 190 16 PRO CA C 63.412 0.1 1 140 190 16 PRO CB C 32.117 0.1 1 141 190 16 PRO CG C 27.281 0.1 1 142 190 16 PRO CD C 50.428 0.1 1 143 191 17 MET H H 8.289 0.01 1 144 191 17 MET HA H 4.406 0.01 1 145 191 17 MET HB2 H 1.993 0.01 2 146 191 17 MET HB3 H 1.993 0.01 2 147 191 17 MET HG2 H 2.53 0.01 2 148 191 17 MET HG3 H 2.53 0.01 2 149 191 17 MET CA C 55.65 0.1 1 150 191 17 MET CB C 32.68 0.1 1 151 191 17 MET CG C 32.243 0.1 1 152 191 17 MET N N 119.453 0.1 1 153 192 18 ARG H H 8.24 0.01 1 154 192 18 ARG HA H 4.261 0.01 1 155 192 18 ARG HB2 H 1.713 0.01 2 156 192 18 ARG HB3 H 1.784 0.01 2 157 192 18 ARG HG2 H 1.549 0.01 2 158 192 18 ARG HG3 H 1.549 0.01 2 159 192 18 ARG HD2 H 3.109 0.01 2 160 192 18 ARG HD3 H 3.109 0.01 2 161 192 18 ARG CA C 56.353 0.1 1 162 192 18 ARG CB C 30.961 0.1 1 163 192 18 ARG CG C 27.02 0.1 1 164 192 18 ARG CD C 43.01 0.1 1 165 192 18 ARG N N 121.389 0.1 1 166 193 19 THR H H 7.986 0.01 1 167 193 19 THR HA H 4.256 0.01 1 168 193 19 THR HB H 4.072 0.01 1 169 193 19 THR HG2 H 1.083 0.01 1 170 193 19 THR CA C 61.472 0.1 1 171 193 19 THR CB C 69.863 0.1 1 172 193 19 THR CG2 C 21.593 0.1 1 173 193 19 THR N N 114.176 0.1 1 174 194 20 TYR H H 8.156 0.01 1 175 194 20 TYR HA H 4.571 0.01 1 176 194 20 TYR HB2 H 3.027 0.01 2 177 194 20 TYR HB3 H 2.875 0.01 2 178 194 20 TYR HD1 H 7.07 0.01 3 179 194 20 TYR HD2 H 7.07 0.01 3 180 194 20 TYR HE1 H 6.759 0.01 3 181 194 20 TYR HE2 H 6.759 0.01 3 182 194 20 TYR CA C 57.694 0.1 1 183 194 20 TYR CB C 39.137 0.1 1 184 194 20 TYR CD1 C 133.354 0.1 1 185 194 20 TYR CD2 C 133.354 0.1 1 186 194 20 TYR CE1 C 118.298 0.1 1 187 194 20 TYR CE2 C 118.298 0.1 1 188 194 20 TYR N N 121.471 0.1 1 189 195 21 SER H H 8.122 0.01 1 190 195 21 SER HA H 4.37 0.01 1 191 195 21 SER HB2 H 3.726 0.01 2 192 195 21 SER HB3 H 3.726 0.01 2 193 195 21 SER CA C 58.098 0.1 1 194 195 21 SER CB C 63.873 0.1 1 195 195 21 SER N N 116.763 0.1 1 196 196 22 LYS H H 8.271 0.01 1 197 196 22 LYS HA H 4.24 0.01 1 198 196 22 LYS HB2 H 1.801 0.01 2 199 196 22 LYS HB3 H 1.697 0.01 2 200 196 22 LYS HG2 H 1.587 0.01 2 201 196 22 LYS HG3 H 1.587 0.01 2 202 196 22 LYS CA C 56.804 0.1 1 203 196 22 LYS CB C 33.055 0.1 1 204 196 22 LYS CG C 27 0.1 1 205 196 22 LYS N N 122.606 0.1 1 206 197 23 GLN H H 8.242 0.01 1 207 197 23 GLN HA H 4.315 0.01 1 208 197 23 GLN HB2 H 1.914 0.01 2 209 197 23 GLN HB3 H 2.055 0.01 2 210 197 23 GLN HG2 H 2.31 0.01 2 211 197 23 GLN HG3 H 2.31 0.01 2 212 197 23 GLN CA C 55.905 0.1 1 213 197 23 GLN CB C 29.625 0.1 1 214 197 23 GLN CG C 33.8 0.1 1 215 197 23 GLN N N 120.211 0.1 1 216 198 24 SER H H 8.231 0.01 1 217 198 24 SER HA H 4.378 0.01 1 218 198 24 SER HB2 H 3.797 0.01 2 219 198 24 SER HB3 H 3.797 0.01 2 220 198 24 SER CA C 58.228 0.1 1 221 198 24 SER CB C 63.859 0.1 1 222 198 24 SER N N 116.874 0.1 1 223 199 25 LYS H H 8.165 0.01 1 224 199 25 LYS HA H 4.555 0.01 1 225 199 25 LYS HB2 H 1.678 0.01 2 226 199 25 LYS HB3 H 1.77 0.01 2 227 199 25 LYS HG2 H 1.411 0.01 2 228 199 25 LYS HG3 H 1.381 0.01 2 229 199 25 LYS CA C 54.311 0.1 1 230 199 25 LYS CB C 32.707 0.1 1 231 199 25 LYS CG C 24.429 0.1 1 232 199 25 LYS N N 123.213 0.1 1 233 200 26 PRO HA H 4.302 0.01 1 234 200 26 PRO HB2 H 2.153 0.01 2 235 200 26 PRO HB3 H 1.686 0.01 2 236 200 26 PRO HG2 H 1.935 0.01 2 237 200 26 PRO HG3 H 1.935 0.01 2 238 200 26 PRO HD2 H 3.555 0.01 2 239 200 26 PRO HD3 H 3.733 0.01 2 240 200 26 PRO CA C 62.922 0.1 1 241 200 26 PRO CB C 32.036 0.1 1 242 200 26 PRO CG C 27.252 0.1 1 243 200 26 PRO CD C 50.535 0.1 1 244 201 27 LEU H H 8.155 0.01 1 245 201 27 LEU HA H 4.194 0.01 1 246 201 27 LEU HB2 H 1.359 0.01 2 247 201 27 LEU HB3 H 1.481 0.01 2 248 201 27 LEU HG H 1.494 0.01 1 249 201 27 LEU HD1 H 0.781 0.01 1 250 201 27 LEU HD2 H 0.781 0.01 1 251 201 27 LEU CA C 55.166 0.1 1 252 201 27 LEU CB C 42.593 0.1 1 253 201 27 LEU CG C 27 0.1 1 254 201 27 LEU CD1 C 23.784 0.1 1 255 201 27 LEU CD2 C 23.784 0.1 1 256 201 27 LEU N N 121.543 0.1 1 257 202 28 PHE H H 8.067 0.01 1 258 202 28 PHE HA H 4.618 0.01 1 259 202 28 PHE HB2 H 2.966 0.01 2 260 202 28 PHE HB3 H 3.102 0.01 2 261 202 28 PHE HD1 H 7.204 0.01 3 262 202 28 PHE HD2 H 7.204 0.01 3 263 202 28 PHE CA C 57.263 0.1 1 264 202 28 PHE CB C 39.654 0.1 1 265 202 28 PHE CD1 C 131.695 0.1 1 266 202 28 PHE CD2 C 131.695 0.1 1 267 202 28 PHE N N 119.25 0.1 1 268 203 29 SER H H 8.124 0.01 1 269 203 29 SER HA H 4.373 0.01 1 270 203 29 SER HB2 H 3.719 0.01 2 271 203 29 SER HB3 H 3.801 0.01 2 272 203 29 SER CA C 58.103 0.1 1 273 203 29 SER CB C 63.765 0.1 1 274 203 29 SER N N 116.041 0.1 1 275 204 30 ASN H H 8.367 0.01 1 276 204 30 ASN HA H 4.628 0.01 1 277 204 30 ASN HB2 H 2.794 0.01 2 278 204 30 ASN HB3 H 2.753 0.01 2 279 204 30 ASN CA C 53.271 0.1 1 280 204 30 ASN CB C 38.788 0.1 1 281 204 30 ASN N N 120.48 0.1 1 282 205 31 LYS H H 8.124 0.01 1 283 205 31 LYS HA H 4.222 0.01 1 284 205 31 LYS HB2 H 1.79 0.01 2 285 205 31 LYS HB3 H 1.79 0.01 2 286 205 31 LYS HG2 H 1.404 0.01 2 287 205 31 LYS HG3 H 1.404 0.01 2 288 205 31 LYS HD2 H 1.61 0.01 2 289 205 31 LYS HD3 H 1.61 0.01 2 290 205 31 LYS CA C 56.682 0.1 1 291 205 31 LYS CB C 32.864 0.1 1 292 205 31 LYS CG C 24.7 0.1 1 293 205 31 LYS CD C 29.197 0.1 1 294 205 31 LYS N N 120.331 0.1 1 295 206 32 ARG H H 8.045 0.01 1 296 206 32 ARG HA H 4.214 0.01 1 297 206 32 ARG HB2 H 1.783 0.01 2 298 206 32 ARG HB3 H 1.718 0.01 2 299 206 32 ARG HG2 H 1.558 0.01 2 300 206 32 ARG HG3 H 1.558 0.01 2 301 206 32 ARG HD2 H 3.124 0.01 2 302 206 32 ARG HD3 H 3.124 0.01 2 303 206 32 ARG CA C 56.345 0.1 1 304 206 32 ARG CB C 30.697 0.1 1 305 206 32 ARG CG C 27.02 0.1 1 306 206 32 ARG CD C 43.3 0.1 1 307 206 32 ARG N N 120.922 0.1 1 308 207 33 LYS H H 8.19 0.01 1 309 207 33 LYS HA H 4.235 0.01 1 310 207 33 LYS HB2 H 1.689 0.01 2 311 207 33 LYS HB3 H 1.689 0.01 2 312 207 33 LYS HG2 H 1.306 0.01 2 313 207 33 LYS HG3 H 1.34 0.01 2 314 207 33 LYS HD2 H 1.618 0.01 2 315 207 33 LYS HD3 H 1.618 0.01 2 316 207 33 LYS CA C 56.151 0.1 1 317 207 33 LYS CB C 33.174 0.1 1 318 207 33 LYS CG C 24.833 0.1 1 319 207 33 LYS CD C 28.755 0.1 1 320 207 33 LYS N N 122.214 0.1 1 321 208 34 ILE H H 8.108 0.01 1 322 208 34 ILE HA H 4.043 0.01 1 323 208 34 ILE HB H 1.732 0.01 1 324 208 34 ILE HG12 H 1.081 0.01 2 325 208 34 ILE HG13 H 1.428 0.01 2 326 208 34 ILE HG2 H 0.938 0.01 1 327 208 34 ILE HD1 H 0.827 0.01 1 328 208 34 ILE CA C 61.215 0.1 1 329 208 34 ILE CB C 38.635 0.1 1 330 208 34 ILE CG1 C 27.831 0.1 1 331 208 34 ILE CG2 C 17.808 0.1 1 332 208 34 ILE CD1 C 13.09 0.1 1 333 208 34 ILE N N 121.192 0.1 1 334 209 35 HIS H H 8.777 0.01 1 335 209 35 HIS HA H 4.758 0.01 1 336 209 35 HIS HB2 H 3.074 0.01 2 337 209 35 HIS HB3 H 3.37 0.01 2 338 209 35 HIS CA C 55.061 0.1 1 339 209 35 HIS CB C 29.235 0.1 1 340 209 35 HIS N N 123.241 0.1 1 341 210 36 LEU H H 8.632 0.01 1 342 210 36 LEU HA H 4.173 0.01 1 343 210 36 LEU HB2 H 1.608 0.01 2 344 210 36 LEU HB3 H 1.669 0.01 2 345 210 36 LEU HG H 1.511 0.01 1 346 210 36 LEU HD1 H 0.846 0.01 1 347 210 36 LEU HD2 H 0.846 0.01 1 348 210 36 LEU CA C 57.105 0.1 1 349 210 36 LEU CB C 41.97 0.1 1 350 210 36 LEU CG C 27.435 0.1 1 351 210 36 LEU CD1 C 24.072 0.1 2 352 210 36 LEU CD2 C 24.946 0.1 2 353 210 36 LEU N N 124.314 0.1 1 354 211 37 SER H H 8.449 0.01 1 355 211 37 SER HA H 4.218 0.01 1 356 211 37 SER HB2 H 3.864 0.01 2 357 211 37 SER HB3 H 3.864 0.01 2 358 211 37 SER CA C 59.648 0.1 1 359 211 37 SER CB C 62.789 0.1 1 360 211 37 SER N N 113.58 0.1 1 361 212 38 GLU H H 7.916 0.01 1 362 212 38 GLU HA H 4.209 0.01 1 363 212 38 GLU HB2 H 1.981 0.01 2 364 212 38 GLU HB3 H 2.329 0.01 2 365 212 38 GLU HG2 H 2.332 0.01 2 366 212 38 GLU HG3 H 2.283 0.01 2 367 212 38 GLU CA C 57.535 0.1 1 368 212 38 GLU CB C 29.76 0.1 1 369 212 38 GLU CG C 35.986 0.1 1 370 212 38 GLU N N 120.551 0.1 1 371 213 39 LEU H H 7.918 0.01 1 372 213 39 LEU HA H 4.188 0.01 1 373 213 39 LEU HB2 H 1.726 0.01 2 374 213 39 LEU HB3 H 1.499 0.01 2 375 213 39 LEU HG H 1.598 0.01 1 376 213 39 LEU HD1 H 0.709 0.01 1 377 213 39 LEU HD2 H 0.824 0.01 1 378 213 39 LEU CA C 56.455 0.1 1 379 213 39 LEU CB C 42.284 0.1 1 380 213 39 LEU CG C 26.8 0.1 1 381 213 39 LEU CD1 C 23.619 0.1 2 382 213 39 LEU CD2 C 25.085 0.1 2 383 213 39 LEU N N 120.474 0.1 1 384 214 40 MET H H 7.804 0.01 1 385 214 40 MET HA H 4.373 0.01 1 386 214 40 MET HB2 H 2.13 0.01 2 387 214 40 MET HB3 H 1.987 0.01 2 388 214 40 MET HG2 H 2.608 0.01 2 389 214 40 MET HG3 H 2.624 0.01 2 390 214 40 MET CA C 55.583 0.1 1 391 214 40 MET CB C 32.313 0.1 1 392 214 40 MET CG C 32.433 0.1 1 393 214 40 MET N N 116.728 0.1 1 394 215 41 LEU H H 7.506 0.01 1 395 215 41 LEU HA H 4.305 0.01 1 396 215 41 LEU HB2 H 1.611 0.01 2 397 215 41 LEU HB3 H 1.771 0.01 2 398 215 41 LEU HG H 1.758 0.01 1 399 215 41 LEU HD1 H 0.904 0.01 1 400 215 41 LEU HD2 H 0.856 0.01 1 401 215 41 LEU CA C 55.333 0.1 1 402 215 41 LEU CB C 42.834 0.1 1 403 215 41 LEU CG C 26.802 0.1 1 404 215 41 LEU CD1 C 25.36 0.1 2 405 215 41 LEU CD2 C 22.931 0.1 2 406 215 41 LEU N N 120.281 0.1 1 407 216 42 GLU H H 8.204 0.01 1 408 216 42 GLU HA H 4.291 0.01 1 409 216 42 GLU HB2 H 2.042 0.01 2 410 216 42 GLU HB3 H 2.005 0.01 2 411 216 42 GLU HG2 H 2.406 0.01 2 412 216 42 GLU HG3 H 2.344 0.01 2 413 216 42 GLU CA C 56.896 0.1 1 414 216 42 GLU CB C 29.952 0.1 1 415 216 42 GLU CG C 35.368 0.1 1 416 216 42 GLU N N 118.711 0.1 1 417 217 43 LYS H H 7.816 0.01 1 418 217 43 LYS HA H 4.334 0.01 1 419 217 43 LYS HB2 H 1.623 0.01 2 420 217 43 LYS HB3 H 1.569 0.01 2 421 217 43 LYS HG2 H 1.312 0.01 2 422 217 43 LYS HG3 H 1.251 0.01 2 423 217 43 LYS HD2 H 1.576 0.01 2 424 217 43 LYS HD3 H 1.598 0.01 2 425 217 43 LYS CA C 54.685 0.1 1 426 217 43 LYS CB C 33.689 0.1 1 427 217 43 LYS CG C 24.677 0.1 1 428 217 43 LYS CD C 29.315 0.1 1 429 217 43 LYS N N 119.136 0.1 1 430 218 44 CYS H H 8.269 0.01 1 431 218 44 CYS HA H 2.309 0.01 1 432 218 44 CYS HB2 H 2.581 0.01 2 433 218 44 CYS HB3 H 2.074 0.01 2 434 218 44 CYS CA C 55.792 0.1 1 435 218 44 CYS CB C 27.989 0.1 1 436 218 44 CYS N N 124.106 0.1 1 437 219 45 PRO HA H 4.191 0.01 1 438 219 45 PRO HB2 H 1.691 0.01 2 439 219 45 PRO HB3 H 1.293 0.01 2 440 219 45 PRO HG2 H 0.317 0.01 2 441 219 45 PRO HG3 H 1.365 0.01 2 442 219 45 PRO HD2 H 2.037 0.01 2 443 219 45 PRO HD3 H 3.05 0.01 2 444 219 45 PRO CA C 62.954 0.1 1 445 219 45 PRO CB C 31.379 0.1 1 446 219 45 PRO CG C 25.384 0.1 1 447 219 45 PRO CD C 49.993 0.1 1 448 220 46 PHE H H 6.963 0.01 1 449 220 46 PHE HA H 4.93 0.01 1 450 220 46 PHE HB2 H 1.983 0.01 2 451 220 46 PHE HB3 H 3.107 0.01 2 452 220 46 PHE HD1 H 6.881 0.01 3 453 220 46 PHE HD2 H 6.881 0.01 3 454 220 46 PHE CA C 54.738 0.1 1 455 220 46 PHE CB C 39.808 0.1 1 456 220 46 PHE CD1 C 131.677 0.1 1 457 220 46 PHE CD2 C 131.757 0.1 1 458 220 46 PHE N N 119.568 0.1 1 459 221 47 PRO HA H 4.29 0.01 1 460 221 47 PRO HB2 H 2.346 0.01 2 461 221 47 PRO HB3 H 1.815 0.01 2 462 221 47 PRO HG2 H 2.091 0.01 2 463 221 47 PRO HG3 H 2.024 0.01 2 464 221 47 PRO HD2 H 3.636 0.01 2 465 221 47 PRO HD3 H 3.984 0.01 2 466 221 47 PRO CA C 62.727 0.1 1 467 221 47 PRO CB C 32.251 0.1 1 468 221 47 PRO CG C 27.937 0.1 1 469 221 47 PRO CD C 50.708 0.1 1 470 222 48 ALA H H 8.718 0.01 1 471 222 48 ALA HA H 4.047 0.01 1 472 222 48 ALA HB H 1.367 0.01 1 473 222 48 ALA CA C 53.784 0.1 1 474 222 48 ALA CB C 18.266 0.1 1 475 222 48 ALA N N 127.256 0.1 1 476 223 49 GLY H H 8.825 0.01 1 477 223 49 GLY HA2 H 4.145 0.01 2 478 223 49 GLY HA3 H 3.758 0.01 2 479 223 49 GLY CA C 45.368 0.1 1 480 223 49 GLY N N 109.449 0.1 1 481 224 50 SER H H 7.865 0.01 1 482 224 50 SER HA H 4.444 0.01 1 483 224 50 SER HB2 H 3.952 0.01 2 484 224 50 SER HB3 H 4.244 0.01 2 485 224 50 SER CA C 58.172 0.1 1 486 224 50 SER CB C 65.665 0.1 1 487 224 50 SER N N 114.2 0.1 1 488 225 51 ASP H H 8.904 0.01 1 489 225 51 ASP HA H 4.349 0.01 1 490 225 51 ASP HB2 H 2.638 0.01 2 491 225 51 ASP HB3 H 2.638 0.01 2 492 225 51 ASP CA C 57.2 0.1 1 493 225 51 ASP CB C 40.259 0.1 1 494 225 51 ASP N N 122.8 0.1 1 495 226 52 LEU H H 8.011 0.01 1 496 226 52 LEU HA H 3.751 0.01 1 497 226 52 LEU HB2 H 1.014 0.01 2 498 226 52 LEU HB3 H 0.035 0.01 2 499 226 52 LEU HG H 1.404 0.01 1 500 226 52 LEU HD1 H 0.46 0.01 1 501 226 52 LEU HD2 H 0.546 0.01 1 502 226 52 LEU CA C 57.402 0.1 1 503 226 52 LEU CB C 40.438 0.1 1 504 226 52 LEU CG C 26.695 0.1 1 505 226 52 LEU CD1 C 22.582 0.1 2 506 226 52 LEU CD2 C 25.423 0.1 2 507 226 52 LEU N N 117.962 0.1 1 508 227 53 ALA H H 7.669 0.01 1 509 227 53 ALA HA H 4.056 0.01 1 510 227 53 ALA HB H 1.447 0.01 1 511 227 53 ALA CA C 55.382 0.1 1 512 227 53 ALA CB C 19.009 0.1 1 513 227 53 ALA N N 120.417 0.1 1 514 228 54 GLN H H 7.995 0.01 1 515 228 54 GLN HA H 4.228 0.01 1 516 228 54 GLN HB2 H 2.215 0.01 2 517 228 54 GLN HB3 H 2.215 0.01 2 518 228 54 GLN HG2 H 2.362 0.01 2 519 228 54 GLN HG3 H 2.466 0.01 2 520 228 54 GLN CA C 58.89 0.1 1 521 228 54 GLN CB C 28.414 0.1 1 522 228 54 GLN CG C 34.028 0.1 1 523 228 54 GLN N N 118.234 0.1 1 524 229 55 LYS H H 7.961 0.01 1 525 229 55 LYS HA H 4.017 0.01 1 526 229 55 LYS HB2 H 1.821 0.01 2 527 229 55 LYS HB3 H 1.821 0.01 2 528 229 55 LYS HG2 H 1.374 0.01 2 529 229 55 LYS HG3 H 1.509 0.01 2 530 229 55 LYS HD2 H 1.551 0.01 2 531 229 55 LYS HD3 H 1.551 0.01 2 532 229 55 LYS CA C 58.993 0.1 1 533 229 55 LYS CB C 32.762 0.1 1 534 229 55 LYS CG C 25.422 0.1 1 535 229 55 LYS CD C 28.759 0.1 1 536 229 55 LYS N N 118.957 0.1 1 537 230 56 TRP H H 8.362 0.01 1 538 230 56 TRP HA H 4.077 0.01 1 539 230 56 TRP HB2 H 3.434 0.01 2 540 230 56 TRP HB3 H 3.651 0.01 2 541 230 56 TRP HD1 H 7.201 0.01 1 542 230 56 TRP HE1 H 10.27 0.01 1 543 230 56 TRP HE3 H 6.848 0.01 1 544 230 56 TRP HZ2 H 7.313 0.01 1 545 230 56 TRP HZ3 H 6.852 0.01 1 546 230 56 TRP HH2 H 6.981 0.01 1 547 230 56 TRP CA C 61.572 0.1 1 548 230 56 TRP CB C 30.023 0.1 1 549 230 56 TRP CD1 C 126.574 0.1 1 550 230 56 TRP CE3 C 119.774 0.1 1 551 230 56 TRP CZ2 C 115.344 0.1 1 552 230 56 TRP CZ3 C 122.4 0.1 1 553 230 56 TRP CH2 C 125.114 0.1 1 554 230 56 TRP N N 120.011 0.1 1 555 230 56 TRP NE1 N 129.738 0.1 1 556 231 57 HIS H H 8.338 0.01 1 557 231 57 HIS HA H 4.206 0.01 1 558 231 57 HIS HB2 H 3.378 0.01 2 559 231 57 HIS HB3 H 3.378 0.01 2 560 231 57 HIS HD2 H 7.486 0.01 1 561 231 57 HIS CA C 59.038 0.1 1 562 231 57 HIS CB C 28.578 0.1 1 563 231 57 HIS CD2 C 121.377 0.1 1 564 231 57 HIS N N 114.262 0.1 1 565 232 58 LEU H H 7.876 0.01 1 566 232 58 LEU HA H 4.089 0.01 1 567 232 58 LEU HB2 H 1.793 0.01 2 568 232 58 LEU HB3 H 1.625 0.01 2 569 232 58 LEU HG H 1.675 0.01 1 570 232 58 LEU HD1 H 0.861 0.01 1 571 232 58 LEU HD2 H 0.861 0.01 1 572 232 58 LEU CA C 57.295 0.1 1 573 232 58 LEU CB C 42.318 0.1 1 574 232 58 LEU CG C 26.789 0.1 1 575 232 58 LEU CD1 C 23.584 0.1 1 576 232 58 LEU CD2 C 23.584 0.1 1 577 232 58 LEU N N 119.648 0.1 1 578 233 59 ILE H H 7.891 0.01 1 579 233 59 ILE HA H 3.777 0.01 1 580 233 59 ILE HB H 1.666 0.01 1 581 233 59 ILE HG12 H 1.558 0.01 2 582 233 59 ILE HG13 H 1.071 0.01 2 583 233 59 ILE HG2 H 0.744 0.01 1 584 233 59 ILE HD1 H 0.769 0.01 1 585 233 59 ILE CA C 63.255 0.1 1 586 233 59 ILE CB C 38.34 0.1 1 587 233 59 ILE CG1 C 28.248 0.1 1 588 233 59 ILE CG2 C 17.775 0.1 1 589 233 59 ILE CD1 C 13.521 0.1 1 590 233 59 ILE N N 118.927 0.1 1 591 234 60 LYS H H 7.856 0.01 1 592 234 60 LYS HA H 3.864 0.01 1 593 234 60 LYS HB2 H 1.284 0.01 2 594 234 60 LYS HB3 H 1.486 0.01 2 595 234 60 LYS HG2 H 0.838 0.01 2 596 234 60 LYS HG3 H 0.629 0.01 2 597 234 60 LYS HD2 H 1.12 0.01 2 598 234 60 LYS HD3 H 1.213 0.01 2 599 234 60 LYS HE2 H 2.706 0.01 2 600 234 60 LYS HE3 H 2.706 0.01 2 601 234 60 LYS CA C 57.053 0.1 1 602 234 60 LYS CB C 31.715 0.1 1 603 234 60 LYS CG C 23.752 0.1 1 604 234 60 LYS CD C 27.98 0.1 1 605 234 60 LYS CE C 41.83 0.1 1 606 234 60 LYS N N 120.681 0.1 1 607 235 61 GLN H H 7.783 0.01 1 608 235 61 GLN HA H 4.134 0.01 1 609 235 61 GLN HB2 H 1.98 0.01 2 610 235 61 GLN HB3 H 1.98 0.01 2 611 235 61 GLN HG2 H 2.307 0.01 2 612 235 61 GLN HG3 H 2.307 0.01 2 613 235 61 GLN CA C 56.436 0.1 1 614 235 61 GLN CB C 29.204 0.1 1 615 235 61 GLN CG C 34.145 0.1 1 616 235 61 GLN N N 117.217 0.1 1 617 236 62 HIS H H 8.036 0.01 1 618 236 62 HIS HA H 4.667 0.01 1 619 236 62 HIS HB2 H 3.155 0.01 2 620 236 62 HIS HB3 H 3.297 0.01 2 621 236 62 HIS CA C 54.74 0.1 1 622 236 62 HIS CB C 28.918 0.1 1 623 236 62 HIS N N 116.811 0.1 1 624 237 63 THR H H 7.886 0.01 1 625 237 63 THR HA H 4.285 0.01 1 626 237 63 THR HB H 4.11 0.01 1 627 237 63 THR HG2 H 1.145 0.01 1 628 237 63 THR CA C 61.844 0.1 1 629 237 63 THR CB C 69.923 0.1 1 630 237 63 THR CG2 C 21.706 0.1 1 631 237 63 THR N N 114.129 0.1 1 632 238 64 ALA H H 8.184 0.01 1 633 238 64 ALA HA H 4.549 0.01 1 634 238 64 ALA HB H 1.321 0.01 1 635 238 64 ALA CA C 50.498 0.1 1 636 238 64 ALA CB C 18.35 0.1 1 637 238 64 ALA N N 127.265 0.1 1 638 239 65 PRO HA H 4.416 0.01 1 639 239 65 PRO HB2 H 2.223 0.01 2 640 239 65 PRO HB3 H 1.841 0.01 2 641 239 65 PRO HG2 H 1.945 0.01 2 642 239 65 PRO HG3 H 1.945 0.01 2 643 239 65 PRO HD2 H 3.602 0.01 2 644 239 65 PRO HD3 H 3.739 0.01 2 645 239 65 PRO CA C 62.839 0.1 1 646 239 65 PRO CB C 32.161 0.1 1 647 239 65 PRO CG C 27.415 0.1 1 648 239 65 PRO CD C 50.386 0.1 1 649 240 66 VAL H H 8.119 0.01 1 650 240 66 VAL HA H 4.08 0.01 1 651 240 66 VAL HB H 1.994 0.01 1 652 240 66 VAL HG1 H 0.909 0.01 1 653 240 66 VAL HG2 H 0.895 0.01 1 654 240 66 VAL CA C 61.947 0.1 1 655 240 66 VAL CB C 33.04 0.1 1 656 240 66 VAL CG1 C 21.04 0.1 2 657 240 66 VAL CG2 C 20.55 0.1 2 658 240 66 VAL N N 119.468 0.1 1 659 241 67 SER H H 8.326 0.01 1 660 241 67 SER HA H 4.724 0.01 1 661 241 67 SER HB2 H 3.757 0.01 2 662 241 67 SER HB3 H 3.757 0.01 2 663 241 67 SER CA C 56.209 0.1 1 664 241 67 SER CB C 63.263 0.1 1 665 241 67 SER N N 120.25 0.1 1 666 242 68 PRO HA H 4.387 0.01 1 667 242 68 PRO HB2 H 2.23 0.01 2 668 242 68 PRO HB3 H 1.846 0.01 2 669 242 68 PRO HG2 H 1.946 0.01 2 670 242 68 PRO HG3 H 1.946 0.01 2 671 242 68 PRO HD2 H 3.669 0.01 2 672 242 68 PRO HD3 H 3.765 0.01 2 673 242 68 PRO CA C 63.127 0.1 1 674 242 68 PRO CB C 32.107 0.1 1 675 242 68 PRO CG C 27.147 0.1 1 676 242 68 PRO CD C 50.671 0.1 1 677 243 69 HIS H H 8.297 0.01 1 678 243 69 HIS HA H 4.689 0.01 1 679 243 69 HIS HB2 H 3.237 0.01 2 680 243 69 HIS HB3 H 3.237 0.01 2 681 243 69 HIS CA C 54.072 0.1 1 682 243 69 HIS CB C 29.471 0.1 1 683 243 69 HIS N N 117.518 0.1 1 684 244 70 SER H H 8.136 0.01 1 685 244 70 SER CA C 55.641 0.1 1 686 244 70 SER CB C 64.661 0.1 1 687 244 70 SER N N 122.336 0.1 1 stop_ save_