data_34068 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RBM5 OCRE domain ; _BMRB_accession_number 34068 _BMRB_flat_file_name bmr34068.str _Entry_type original _Submission_date 2016-11-19 _Accession_date 2016-11-19 _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 Warner L. R. . 2 Mourao A. . . 3 Soni K. . . 4 Sattler M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 357 "13C chemical shifts" 282 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 34067 'RBM5 OCRE domain in complex with polyproline SmN peptide' stop_ _Original_release_date 2016-12-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the recognition of spliceosomal SmN/B/B' proteins by the RBM5 OCRE domain in splicing regulation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27894420 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mourao A. . . 2 Bonnal S. . . 3 Soni K. . . 4 Warner L. . . 5 Bordonne R. . . 6 Valcarcel J. . . 7 Sattler M. . . stop_ _Journal_abbreviation Elife _Journal_volume 5 _Journal_issue . _Journal_ISSN 2050-084X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA-binding protein 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 7436.785 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; GAMGTKYAVPDTSTYQYDES SGYYYDPTTGLYYDPNSQYY YNSLTQQYLYWDGEKETYVP AAES ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 THR 6 LYS 7 TYR 8 ALA 9 VAL 10 PRO 11 ASP 12 THR 13 SER 14 THR 15 TYR 16 GLN 17 TYR 18 ASP 19 GLU 20 SER 21 SER 22 GLY 23 TYR 24 TYR 25 TYR 26 ASP 27 PRO 28 THR 29 THR 30 GLY 31 LEU 32 TYR 33 TYR 34 ASP 35 PRO 36 ASN 37 SER 38 GLN 39 TYR 40 TYR 41 TYR 42 ASN 43 SER 44 LEU 45 THR 46 GLN 47 GLN 48 TYR 49 LEU 50 TYR 51 TRP 52 ASP 53 GLY 54 GLU 55 LYS 56 GLU 57 THR 58 TYR 59 VAL 60 PRO 61 ALA 62 ALA 63 GLU 64 SER 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 'RBM5, H37, LUCA15' 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 '1 mM [U-100% 13C; U-100% 15N] ocre5, 20 mM sodium phosphate, 50 mM sodium chloride, 10 % D2O, 90 % H2O, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' $entity_1 1 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 900 _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_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_HDCB_Kay_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'HDCB Kay' _Sample_label $sample_1 save_ save_HECB_Kay_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'HECB Kay' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _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' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pD pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D H(CCO)NH' '3D HNCO' '3D HNCA' '3D C(CO)NH' 'HDCB Kay' 'HECB Kay' '3D 1H-13C NOESY' '3D 1H-15N NOESY' 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 GLY HA3 H 3.769 0.000 . 2 1 1 GLY CA C 43.288 0.000 . 3 2 2 ALA HA H 4.309 0.000 . 4 2 2 ALA HB H 1.344 0.000 . 5 2 2 ALA C C 177.839 0.000 . 6 2 2 ALA CA C 52.598 0.050 . 7 2 2 ALA CB C 19.348 0.038 . 8 3 3 MET H H 8.514 0.002 . 9 3 3 MET HA H 4.458 0.000 . 10 3 3 MET HB2 H 1.984 0.000 . 11 3 3 MET HB3 H 2.074 0.000 . 12 3 3 MET HG2 H 2.497 0.000 . 13 3 3 MET HG3 H 2.579 0.000 . 14 3 3 MET HE H 2.014 0.000 . 15 3 3 MET C C 176.687 0.000 . 16 3 3 MET CA C 55.620 0.056 . 17 3 3 MET CB C 32.641 0.066 . 18 3 3 MET CG C 32.059 0.006 . 19 3 3 MET CE C 16.861 0.000 . 20 3 3 MET N N 119.734 0.012 . 21 4 4 GLY H H 8.403 0.002 . 22 4 4 GLY HA3 H 3.963 0.000 . 23 4 4 GLY C C 174.013 0.000 . 24 4 4 GLY CA C 45.327 0.014 . 25 4 4 GLY N N 110.241 0.030 . 26 5 5 THR H H 8.003 0.001 . 27 5 5 THR HA H 4.210 0.000 . 28 5 5 THR HB H 4.062 0.000 . 29 5 5 THR HG2 H 1.016 0.000 . 30 5 5 THR C C 173.868 0.000 . 31 5 5 THR CA C 62.071 0.047 . 32 5 5 THR CB C 69.935 0.042 . 33 5 5 THR CG2 C 21.657 0.000 . 34 5 5 THR N N 114.560 0.031 . 35 6 6 LYS H H 8.215 0.002 . 36 6 6 LYS HA H 4.383 0.000 . 37 6 6 LYS HB2 H 1.617 0.000 . 38 6 6 LYS HB3 H 1.688 0.000 . 39 6 6 LYS HG2 H 1.212 0.000 . 40 6 6 LYS HG3 H 1.273 0.000 . 41 6 6 LYS HD3 H 1.583 0.000 . 42 6 6 LYS HE3 H 2.897 0.000 . 43 6 6 LYS C C 175.742 0.000 . 44 6 6 LYS CA C 56.149 0.042 . 45 6 6 LYS CB C 33.348 0.020 . 46 6 6 LYS CG C 24.633 0.016 . 47 6 6 LYS CD C 28.970 0.000 . 48 6 6 LYS CE C 42.142 0.000 . 49 6 6 LYS N N 123.943 0.012 . 50 7 7 TYR H H 8.303 0.004 . 51 7 7 TYR HA H 4.616 0.000 . 52 7 7 TYR HB2 H 2.850 0.000 . 53 7 7 TYR HB3 H 3.259 0.000 . 54 7 7 TYR HD1 H 7.238 0.000 . 55 7 7 TYR HD2 H 7.238 0.000 . 56 7 7 TYR HE1 H 6.805 0.000 . 57 7 7 TYR HE2 H 6.805 0.000 . 58 7 7 TYR C C 175.092 0.000 . 59 7 7 TYR CA C 57.505 0.067 . 60 7 7 TYR CB C 40.336 0.110 . 61 7 7 TYR CD1 C 133.501 0.000 . 62 7 7 TYR CD2 C 133.501 0.000 . 63 7 7 TYR CE1 C 118.022 0.000 . 64 7 7 TYR CE2 C 118.022 0.000 . 65 7 7 TYR N N 121.579 0.023 . 66 8 8 ALA H H 8.254 0.003 . 67 8 8 ALA HA H 4.314 0.000 . 68 8 8 ALA HB H 1.294 0.000 . 69 8 8 ALA C C 176.356 0.000 . 70 8 8 ALA CA C 51.564 0.074 . 71 8 8 ALA CB C 19.620 0.035 . 72 8 8 ALA N N 124.718 0.011 . 73 9 9 VAL H H 7.913 0.002 . 74 9 9 VAL HA H 3.769 0.000 . 75 9 9 VAL HB H 1.862 0.000 . 76 9 9 VAL HG1 H 0.879 0.000 . 77 9 9 VAL HG2 H 0.978 0.000 . 78 9 9 VAL CA C 59.931 0.004 . 79 9 9 VAL CB C 32.218 0.024 . 80 9 9 VAL CG1 C 20.939 0.000 . 81 9 9 VAL CG2 C 20.956 0.000 . 82 9 9 VAL N N 119.922 0.009 . 83 10 10 PRO HA H 3.885 0.000 . 84 10 10 PRO HB2 H 1.307 0.000 . 85 10 10 PRO HB3 H 1.827 0.000 . 86 10 10 PRO HG2 H 1.027 0.000 . 87 10 10 PRO HG3 H 1.123 0.000 . 88 10 10 PRO HD2 H 2.133 0.000 . 89 10 10 PRO HD3 H 2.478 0.000 . 90 10 10 PRO C C 175.890 0.000 . 91 10 10 PRO CA C 62.985 0.061 . 92 10 10 PRO CB C 32.252 0.050 . 93 10 10 PRO CG C 26.477 0.002 . 94 10 10 PRO CD C 49.891 0.009 . 95 11 11 ASP H H 8.100 0.003 . 96 11 11 ASP HA H 4.550 0.000 . 97 11 11 ASP HB2 H 2.662 0.000 . 98 11 11 ASP HB3 H 2.429 0.000 . 99 11 11 ASP C C 176.793 0.000 . 100 11 11 ASP CA C 52.519 0.025 . 101 11 11 ASP CB C 40.636 0.020 . 102 11 11 ASP N N 120.581 0.016 . 103 12 12 THR H H 8.100 0.003 . 104 12 12 THR HA H 2.398 0.000 . 105 12 12 THR HB H 3.602 0.000 . 106 12 12 THR HG2 H 0.589 0.000 . 107 12 12 THR C C 176.321 0.000 . 108 12 12 THR CA C 62.373 0.060 . 109 12 12 THR CB C 68.170 0.051 . 110 12 12 THR CG2 C 20.602 0.000 . 111 12 12 THR N N 115.163 0.030 . 112 13 13 SER H H 8.196 0.001 . 113 13 13 SER HA H 4.140 0.000 . 114 13 13 SER HB2 H 3.826 0.000 . 115 13 13 SER HB3 H 3.868 0.000 . 116 13 13 SER C C 175.470 0.000 . 117 13 13 SER CA C 61.243 0.016 . 118 13 13 SER CB C 62.794 0.077 . 119 13 13 SER N N 118.800 0.028 . 120 14 14 THR H H 7.364 0.002 . 121 14 14 THR HA H 4.402 0.000 . 122 14 14 THR HB H 4.460 0.000 . 123 14 14 THR HG2 H 1.108 0.000 . 124 14 14 THR C C 174.965 0.000 . 125 14 14 THR CA C 61.837 0.040 . 126 14 14 THR CB C 69.854 0.029 . 127 14 14 THR CG2 C 21.474 0.000 . 128 14 14 THR N N 110.320 0.017 . 129 15 15 TYR H H 7.279 0.003 . 130 15 15 TYR HA H 5.011 0.000 . 131 15 15 TYR HB2 H 3.266 0.000 . 132 15 15 TYR HB3 H 3.205 0.000 . 133 15 15 TYR HD1 H 6.813 0.000 . 134 15 15 TYR HD2 H 6.813 0.000 . 135 15 15 TYR HE1 H 6.217 0.000 . 136 15 15 TYR HE2 H 6.217 0.000 . 137 15 15 TYR C C 176.168 0.000 . 138 15 15 TYR CA C 55.017 0.065 . 139 15 15 TYR CB C 37.558 0.021 . 140 15 15 TYR CD1 C 130.520 0.000 . 141 15 15 TYR CD2 C 130.520 0.000 . 142 15 15 TYR CE1 C 118.587 0.000 . 143 15 15 TYR CE2 C 118.587 0.000 . 144 15 15 TYR N N 121.313 0.018 . 145 16 16 GLN H H 9.253 0.002 . 146 16 16 GLN HA H 4.894 0.000 . 147 16 16 GLN HB2 H 2.228 0.000 . 148 16 16 GLN HB3 H 2.264 0.000 . 149 16 16 GLN HG3 H 2.560 0.000 . 150 16 16 GLN HE21 H 6.895 0.000 . 151 16 16 GLN HE22 H 7.621 0.000 . 152 16 16 GLN C C 175.745 0.000 . 153 16 16 GLN CA C 54.421 0.043 . 154 16 16 GLN CB C 31.057 0.028 . 155 16 16 GLN CG C 33.544 0.000 . 156 16 16 GLN N N 120.213 0.010 . 157 16 16 GLN NE2 N 111.751 0.001 . 158 17 17 TYR H H 9.344 0.003 . 159 17 17 TYR HA H 3.937 0.000 . 160 17 17 TYR HB2 H 2.726 0.000 . 161 17 17 TYR HB3 H 2.798 0.000 . 162 17 17 TYR HD1 H 6.196 0.000 . 163 17 17 TYR HD2 H 6.196 0.000 . 164 17 17 TYR HE1 H 6.492 0.000 . 165 17 17 TYR HE2 H 6.492 0.000 . 166 17 17 TYR C C 173.991 0.000 . 167 17 17 TYR CA C 59.406 0.066 . 168 17 17 TYR CB C 38.642 0.032 . 169 17 17 TYR CD1 C 132.458 0.000 . 170 17 17 TYR CD2 C 132.458 0.000 . 171 17 17 TYR CE1 C 117.720 0.000 . 172 17 17 TYR CE2 C 117.720 0.000 . 173 17 17 TYR N N 126.890 0.007 . 174 18 18 ASP H H 8.028 0.001 . 175 18 18 ASP HA H 4.713 0.000 . 176 18 18 ASP HB2 H 2.945 0.000 . 177 18 18 ASP HB3 H 2.389 0.000 . 178 18 18 ASP C C 173.897 0.000 . 179 18 18 ASP CA C 52.356 0.039 . 180 18 18 ASP CB C 42.050 0.015 . 181 18 18 ASP N N 129.314 0.022 . 182 19 19 GLU H H 8.623 0.001 . 183 19 19 GLU HA H 3.614 0.000 . 184 19 19 GLU HB3 H 1.994 0.000 . 185 19 19 GLU HG3 H 2.311 0.000 . 186 19 19 GLU C C 177.867 0.000 . 187 19 19 GLU CA C 58.710 0.045 . 188 19 19 GLU CB C 29.465 0.006 . 189 19 19 GLU CG C 35.980 0.000 . 190 19 19 GLU N N 125.037 0.006 . 191 20 20 SER H H 8.086 0.001 . 192 20 20 SER HA H 4.104 0.000 . 193 20 20 SER HB2 H 3.825 0.000 . 194 20 20 SER HB3 H 3.873 0.000 . 195 20 20 SER C C 174.940 0.000 . 196 20 20 SER CA C 61.135 0.065 . 197 20 20 SER CB C 62.862 0.022 . 198 20 20 SER N N 112.889 0.023 . 199 21 21 SER H H 7.336 0.002 . 200 21 21 SER HA H 4.188 0.000 . 201 21 21 SER HB2 H 3.498 0.000 . 202 21 21 SER HB3 H 3.334 0.000 . 203 21 21 SER C C 175.539 0.000 . 204 21 21 SER CA C 58.727 0.057 . 205 21 21 SER CB C 65.077 0.059 . 206 21 21 SER N N 113.466 0.027 . 207 22 22 GLY H H 8.159 0.001 . 208 22 22 GLY HA2 H 3.962 0.000 . 209 22 22 GLY HA3 H 3.629 0.000 . 210 22 22 GLY C C 173.089 0.000 . 211 22 22 GLY CA C 45.316 0.046 . 212 22 22 GLY N N 111.502 0.029 . 213 23 23 TYR H H 7.792 0.001 . 214 23 23 TYR HA H 5.284 0.000 . 215 23 23 TYR HB2 H 3.059 0.000 . 216 23 23 TYR HB3 H 3.541 0.000 . 217 23 23 TYR HD1 H 6.898 0.000 . 218 23 23 TYR HD2 H 6.898 0.000 . 219 23 23 TYR HE1 H 6.549 0.000 . 220 23 23 TYR HE2 H 6.549 0.000 . 221 23 23 TYR C C 174.972 0.000 . 222 23 23 TYR CA C 54.658 0.057 . 223 23 23 TYR CB C 40.331 0.054 . 224 23 23 TYR CD1 C 131.313 0.000 . 225 23 23 TYR CD2 C 131.313 0.000 . 226 23 23 TYR CE1 C 117.900 0.000 . 227 23 23 TYR CE2 C 117.900 0.000 . 228 23 23 TYR N N 117.989 0.025 . 229 24 24 TYR H H 9.156 0.002 . 230 24 24 TYR HA H 5.198 0.000 . 231 24 24 TYR HB2 H 3.150 0.000 . 232 24 24 TYR HB3 H 3.369 0.000 . 233 24 24 TYR HD1 H 7.262 0.000 . 234 24 24 TYR HD2 H 7.262 0.000 . 235 24 24 TYR HE1 H 6.999 0.000 . 236 24 24 TYR HE2 H 6.999 0.000 . 237 24 24 TYR C C 175.161 0.000 . 238 24 24 TYR CA C 58.047 0.032 . 239 24 24 TYR CB C 41.108 0.022 . 240 24 24 TYR CD1 C 132.932 0.000 . 241 24 24 TYR CD2 C 132.932 0.000 . 242 24 24 TYR CE1 C 118.701 0.000 . 243 24 24 TYR CE2 C 118.701 0.000 . 244 24 24 TYR N N 116.735 0.016 . 245 25 25 TYR H H 9.549 0.002 . 246 25 25 TYR HA H 4.601 0.000 . 247 25 25 TYR HB3 H 2.770 0.000 . 248 25 25 TYR HD1 H 6.096 0.000 . 249 25 25 TYR HD2 H 6.096 0.000 . 250 25 25 TYR HE1 H 6.392 0.000 . 251 25 25 TYR HE2 H 6.392 0.000 . 252 25 25 TYR C C 173.010 0.000 . 253 25 25 TYR CA C 57.061 0.093 . 254 25 25 TYR CB C 41.487 0.060 . 255 25 25 TYR CD1 C 132.709 0.000 . 256 25 25 TYR CD2 C 132.709 0.000 . 257 25 25 TYR CE1 C 117.362 0.000 . 258 25 25 TYR CE2 C 117.362 0.000 . 259 25 25 TYR N N 123.246 0.004 . 260 26 26 ASP H H 7.773 0.002 . 261 26 26 ASP HA H 4.626 0.000 . 262 26 26 ASP HB2 H 1.083 0.000 . 263 26 26 ASP HB3 H 2.498 0.000 . 264 26 26 ASP CA C 48.975 0.029 . 265 26 26 ASP CB C 41.603 0.055 . 266 26 26 ASP N N 126.480 0.012 . 267 27 27 PRO HA H 3.913 0.000 . 268 27 27 PRO HB2 H 2.387 0.000 . 269 27 27 PRO HB3 H 1.987 0.000 . 270 27 27 PRO HG2 H 1.996 0.000 . 271 27 27 PRO HG3 H 2.064 0.000 . 272 27 27 PRO HD3 H 4.022 0.000 . 273 27 27 PRO C C 178.178 0.000 . 274 27 27 PRO CA C 63.642 0.032 . 275 27 27 PRO CB C 32.294 0.064 . 276 27 27 PRO CG C 27.061 0.003 . 277 27 27 PRO CD C 51.063 0.000 . 278 28 28 THR H H 7.994 0.002 . 279 28 28 THR HA H 4.055 0.000 . 280 28 28 THR HB H 4.246 0.000 . 281 28 28 THR HG2 H 1.222 0.000 . 282 28 28 THR C C 175.715 0.000 . 283 28 28 THR CA C 65.012 0.086 . 284 28 28 THR CB C 68.471 0.050 . 285 28 28 THR CG2 C 21.978 0.000 . 286 28 28 THR N N 111.359 0.020 . 287 29 29 THR H H 6.612 0.002 . 288 29 29 THR HA H 4.249 0.000 . 289 29 29 THR HB H 3.791 0.000 . 290 29 29 THR HG2 H 1.008 0.000 . 291 29 29 THR C C 176.236 0.000 . 292 29 29 THR CA C 61.710 0.026 . 293 29 29 THR CB C 71.193 0.010 . 294 29 29 THR CG2 C 21.013 0.000 . 295 29 29 THR N N 108.376 0.015 . 296 30 30 GLY H H 8.328 0.001 . 297 30 30 GLY HA2 H 4.028 0.000 . 298 30 30 GLY HA3 H 3.530 0.000 . 299 30 30 GLY C C 173.250 0.000 . 300 30 30 GLY CA C 45.224 0.048 . 301 30 30 GLY N N 111.450 0.029 . 302 31 31 LEU H H 7.417 0.001 . 303 31 31 LEU HA H 4.501 0.000 . 304 31 31 LEU HB2 H 1.670 0.000 . 305 31 31 LEU HB3 H 1.358 0.000 . 306 31 31 LEU HG H 1.134 0.000 . 307 31 31 LEU HD1 H 0.576 0.000 . 308 31 31 LEU HD2 H -0.110 0.000 . 309 31 31 LEU C C 175.078 0.000 . 310 31 31 LEU CA C 54.016 0.041 . 311 31 31 LEU CB C 44.090 0.015 . 312 31 31 LEU CG C 26.705 0.000 . 313 31 31 LEU CD1 C 22.829 0.000 . 314 31 31 LEU CD2 C 23.603 0.000 . 315 31 31 LEU N N 119.283 0.005 . 316 32 32 TYR H H 8.542 0.001 . 317 32 32 TYR HA H 5.391 0.000 . 318 32 32 TYR HB2 H 3.004 0.000 . 319 32 32 TYR HB3 H 3.118 0.000 . 320 32 32 TYR HD1 H 7.306 0.000 . 321 32 32 TYR HD2 H 7.306 0.000 . 322 32 32 TYR HE1 H 6.847 0.000 . 323 32 32 TYR HE2 H 6.847 0.000 . 324 32 32 TYR C C 175.561 0.000 . 325 32 32 TYR CA C 57.192 0.070 . 326 32 32 TYR CB C 40.804 0.041 . 327 32 32 TYR CD1 C 133.341 0.000 . 328 32 32 TYR CD2 C 133.341 0.000 . 329 32 32 TYR CE1 C 118.310 0.000 . 330 32 32 TYR CE2 C 118.310 0.000 . 331 32 32 TYR N N 116.433 0.015 . 332 33 33 TYR H H 9.671 0.001 . 333 33 33 TYR HA H 4.791 0.000 . 334 33 33 TYR HB2 H 2.494 0.000 . 335 33 33 TYR HB3 H 2.642 0.000 . 336 33 33 TYR HD1 H 5.989 0.000 . 337 33 33 TYR HD2 H 5.989 0.000 . 338 33 33 TYR HE1 H 6.377 0.000 . 339 33 33 TYR HE2 H 6.377 0.000 . 340 33 33 TYR C C 173.161 0.000 . 341 33 33 TYR CA C 57.097 0.068 . 342 33 33 TYR CB C 42.208 0.090 . 343 33 33 TYR CD1 C 132.619 0.000 . 344 33 33 TYR CD2 C 132.619 0.000 . 345 33 33 TYR CE1 C 117.271 0.000 . 346 33 33 TYR CE2 C 117.271 0.000 . 347 33 33 TYR N N 121.683 0.010 . 348 34 34 ASP H H 7.880 0.002 . 349 34 34 ASP HA H 5.095 0.000 . 350 34 34 ASP HB2 H 2.068 0.000 . 351 34 34 ASP HB3 H 2.873 0.000 . 352 34 34 ASP CA C 49.205 0.027 . 353 34 34 ASP CB C 42.597 0.018 . 354 34 34 ASP N N 127.301 0.008 . 355 35 35 PRO HA H 3.967 0.000 . 356 35 35 PRO HB2 H 2.315 0.000 . 357 35 35 PRO HB3 H 2.082 0.000 . 358 35 35 PRO HG2 H 2.137 0.000 . 359 35 35 PRO HG3 H 2.066 0.000 . 360 35 35 PRO HD2 H 4.360 0.000 . 361 35 35 PRO HD3 H 4.134 0.000 . 362 35 35 PRO C C 177.196 0.000 . 363 35 35 PRO CA C 63.695 0.023 . 364 35 35 PRO CB C 32.331 0.001 . 365 35 35 PRO CG C 27.273 0.000 . 366 35 35 PRO CD C 51.269 0.029 . 367 36 36 ASN H H 8.131 0.001 . 368 36 36 ASN HA H 4.527 0.000 . 369 36 36 ASN HB2 H 2.983 0.000 . 370 36 36 ASN HB3 H 2.806 0.000 . 371 36 36 ASN HD21 H 8.022 0.000 . 372 36 36 ASN HD22 H 7.107 0.000 . 373 36 36 ASN C C 175.431 0.000 . 374 36 36 ASN CA C 55.680 0.055 . 375 36 36 ASN CB C 38.618 0.028 . 376 36 36 ASN N N 116.023 0.008 . 377 36 36 ASN ND2 N 115.664 0.000 . 378 37 37 SER H H 7.213 0.002 . 379 37 37 SER HA H 4.161 0.000 . 380 37 37 SER HB2 H 3.570 0.000 . 381 37 37 SER HB3 H 3.457 0.000 . 382 37 37 SER C C 174.264 0.000 . 383 37 37 SER CA C 58.648 0.069 . 384 37 37 SER CB C 64.406 0.059 . 385 37 37 SER N N 112.763 0.032 . 386 38 38 GLN H H 8.062 0.002 . 387 38 38 GLN HA H 3.664 0.000 . 388 38 38 GLN HB2 H 2.222 0.000 . 389 38 38 GLN HB3 H 2.424 0.000 . 390 38 38 GLN HG2 H 2.222 0.000 . 391 38 38 GLN HG3 H 2.100 0.000 . 392 38 38 GLN HE21 H 6.726 0.000 . 393 38 38 GLN HE22 H 7.411 0.000 . 394 38 38 GLN C C 174.061 0.000 . 395 38 38 GLN CA C 58.031 0.045 . 396 38 38 GLN CB C 25.765 0.013 . 397 38 38 GLN CG C 34.660 0.002 . 398 38 38 GLN N N 114.537 0.015 . 399 38 38 GLN NE2 N 111.979 0.002 . 400 39 39 TYR H H 7.505 0.002 . 401 39 39 TYR HA H 5.449 0.000 . 402 39 39 TYR HB2 H 3.039 0.000 . 403 39 39 TYR HB3 H 3.522 0.000 . 404 39 39 TYR HD1 H 7.090 0.000 . 405 39 39 TYR HD2 H 7.090 0.000 . 406 39 39 TYR HE1 H 6.717 0.000 . 407 39 39 TYR HE2 H 6.717 0.000 . 408 39 39 TYR C C 175.784 0.000 . 409 39 39 TYR CA C 56.059 0.061 . 410 39 39 TYR CB C 40.085 0.051 . 411 39 39 TYR CD1 C 132.113 0.000 . 412 39 39 TYR CD2 C 132.113 0.000 . 413 39 39 TYR CE1 C 117.886 0.000 . 414 39 39 TYR CE2 C 117.886 0.000 . 415 39 39 TYR N N 115.490 0.017 . 416 40 40 TYR H H 9.637 0.001 . 417 40 40 TYR HA H 5.550 0.000 . 418 40 40 TYR HB2 H 2.892 0.000 . 419 40 40 TYR HB3 H 2.818 0.000 . 420 40 40 TYR HD1 H 7.214 0.000 . 421 40 40 TYR HD2 H 7.214 0.000 . 422 40 40 TYR HE1 H 6.887 0.000 . 423 40 40 TYR HE2 H 6.887 0.000 . 424 40 40 TYR C C 175.454 0.000 . 425 40 40 TYR CA C 57.203 0.056 . 426 40 40 TYR CB C 41.356 0.035 . 427 40 40 TYR CD1 C 133.578 0.000 . 428 40 40 TYR CD2 C 133.578 0.000 . 429 40 40 TYR CE1 C 118.063 0.000 . 430 40 40 TYR CE2 C 118.063 0.000 . 431 40 40 TYR N N 118.929 0.035 . 432 41 41 TYR H H 9.460 0.002 . 433 41 41 TYR HA H 5.043 0.000 . 434 41 41 TYR HB2 H 2.426 0.000 . 435 41 41 TYR HB3 H 2.633 0.000 . 436 41 41 TYR HD1 H 5.910 0.000 . 437 41 41 TYR HD2 H 5.910 0.000 . 438 41 41 TYR HE1 H 6.161 0.000 . 439 41 41 TYR HE2 H 6.161 0.000 . 440 41 41 TYR C C 173.499 0.000 . 441 41 41 TYR CA C 56.455 0.049 . 442 41 41 TYR CB C 41.899 0.046 . 443 41 41 TYR CD1 C 132.795 0.000 . 444 41 41 TYR CD2 C 132.795 0.000 . 445 41 41 TYR CE1 C 116.997 0.000 . 446 41 41 TYR CE2 C 116.997 0.000 . 447 41 41 TYR N N 121.892 0.011 . 448 42 42 ASN H H 8.069 0.001 . 449 42 42 ASN HA H 4.822 0.000 . 450 42 42 ASN HB2 H 3.049 0.000 . 451 42 42 ASN HB3 H 2.028 0.000 . 452 42 42 ASN HD21 H 7.170 0.000 . 453 42 42 ASN HD22 H 7.124 0.000 . 454 42 42 ASN C C 175.081 0.000 . 455 42 42 ASN CA C 50.904 0.051 . 456 42 42 ASN CB C 39.147 0.044 . 457 42 42 ASN N N 125.486 0.008 . 458 42 42 ASN ND2 N 113.411 0.000 . 459 43 43 SER H H 8.856 0.002 . 460 43 43 SER HA H 3.694 0.000 . 461 43 43 SER HB2 H 3.810 0.000 . 462 43 43 SER HB3 H 4.070 0.000 . 463 43 43 SER C C 175.092 0.000 . 464 43 43 SER CA C 60.176 0.035 . 465 43 43 SER CB C 63.371 0.078 . 466 43 43 SER N N 119.290 0.003 . 467 44 44 LEU H H 8.132 0.001 . 468 44 44 LEU HA H 4.302 0.000 . 469 44 44 LEU HB2 H 1.828 0.000 . 470 44 44 LEU HB3 H 1.640 0.000 . 471 44 44 LEU HG H 1.600 0.000 . 472 44 44 LEU HD1 H 0.841 0.000 . 473 44 44 LEU HD2 H 0.907 0.000 . 474 44 44 LEU C C 178.804 0.000 . 475 44 44 LEU CA C 57.070 0.080 . 476 44 44 LEU CB C 41.802 0.032 . 477 44 44 LEU CG C 27.272 0.000 . 478 44 44 LEU CD1 C 23.575 0.000 . 479 44 44 LEU CD2 C 24.437 0.000 . 480 44 44 LEU N N 122.394 0.022 . 481 45 45 THR H H 7.067 0.001 . 482 45 45 THR HA H 4.166 0.000 . 483 45 45 THR HB H 4.198 0.000 . 484 45 45 THR HG2 H 0.977 0.000 . 485 45 45 THR C C 175.135 0.000 . 486 45 45 THR CA C 61.075 0.065 . 487 45 45 THR CB C 69.318 0.025 . 488 45 45 THR CG2 C 21.707 0.000 . 489 45 45 THR N N 107.146 0.033 . 490 46 46 GLN H H 7.884 0.001 . 491 46 46 GLN HA H 3.551 0.000 . 492 46 46 GLN HB2 H 2.354 0.000 . 493 46 46 GLN HB3 H 2.216 0.000 . 494 46 46 GLN HG2 H 2.086 0.000 . 495 46 46 GLN HG3 H 2.218 0.000 . 496 46 46 GLN HE21 H 6.668 0.000 . 497 46 46 GLN HE22 H 7.381 0.000 . 498 46 46 GLN C C 174.052 0.000 . 499 46 46 GLN CA C 57.162 0.072 . 500 46 46 GLN CB C 25.494 0.032 . 501 46 46 GLN CG C 34.324 0.000 . 502 46 46 GLN N N 116.868 0.009 . 503 46 46 GLN NE2 N 112.054 0.002 . 504 47 47 GLN H H 6.951 0.001 . 505 47 47 GLN HA H 4.605 0.000 . 506 47 47 GLN HB2 H 1.885 0.000 . 507 47 47 GLN HB3 H 1.619 0.000 . 508 47 47 GLN HG3 H 2.266 0.000 . 509 47 47 GLN HE21 H 7.761 0.000 . 510 47 47 GLN HE22 H 6.951 0.000 . 511 47 47 GLN C C 174.377 0.000 . 512 47 47 GLN CA C 54.617 0.032 . 513 47 47 GLN CB C 32.957 0.135 . 514 47 47 GLN CG C 34.154 0.000 . 515 47 47 GLN N N 116.126 0.022 . 516 47 47 GLN NE2 N 113.323 0.000 . 517 48 48 TYR H H 8.621 0.001 . 518 48 48 TYR HA H 5.533 0.000 . 519 48 48 TYR HB2 H 2.626 0.000 . 520 48 48 TYR HB3 H 2.748 0.000 . 521 48 48 TYR HD1 H 7.188 0.000 . 522 48 48 TYR HD2 H 7.188 0.000 . 523 48 48 TYR HE1 H 6.660 0.000 . 524 48 48 TYR HE2 H 6.660 0.000 . 525 48 48 TYR C C 176.462 0.000 . 526 48 48 TYR CA C 57.943 0.041 . 527 48 48 TYR CB C 39.571 0.017 . 528 48 48 TYR CD1 C 133.328 0.000 . 529 48 48 TYR CD2 C 133.328 0.000 . 530 48 48 TYR CE1 C 118.131 0.000 . 531 48 48 TYR CE2 C 118.131 0.000 . 532 48 48 TYR N N 120.850 0.012 . 533 49 49 LEU H H 9.551 0.001 . 534 49 49 LEU HA H 5.388 0.000 . 535 49 49 LEU HB2 H 1.465 0.000 . 536 49 49 LEU HB3 H 1.567 0.000 . 537 49 49 LEU HG H 1.428 0.000 . 538 49 49 LEU HD1 H 0.674 0.000 . 539 49 49 LEU HD2 H 0.614 0.000 . 540 49 49 LEU C C 175.076 0.000 . 541 49 49 LEU CA C 54.282 0.035 . 542 49 49 LEU CB C 47.671 0.047 . 543 49 49 LEU CG C 27.424 0.000 . 544 49 49 LEU CD1 C 27.052 0.000 . 545 49 49 LEU CD2 C 24.577 0.000 . 546 49 49 LEU N N 122.363 0.022 . 547 50 50 TYR H H 9.336 0.001 . 548 50 50 TYR HA H 5.728 0.000 . 549 50 50 TYR HB2 H 3.094 0.000 . 550 50 50 TYR HB3 H 3.310 0.000 . 551 50 50 TYR HD1 H 7.019 0.000 . 552 50 50 TYR HD2 H 7.019 0.000 . 553 50 50 TYR HE1 H 6.782 0.000 . 554 50 50 TYR HE2 H 6.782 0.000 . 555 50 50 TYR C C 174.146 0.000 . 556 50 50 TYR CA C 55.689 0.074 . 557 50 50 TYR CB C 41.783 0.042 . 558 50 50 TYR CD1 C 133.757 0.000 . 559 50 50 TYR CD2 C 133.757 0.000 . 560 50 50 TYR CE1 C 118.039 0.000 . 561 50 50 TYR CE2 C 118.039 0.000 . 562 50 50 TYR N N 117.621 0.017 . 563 51 51 TRP H H 9.202 0.002 . 564 51 51 TRP HA H 4.333 0.000 . 565 51 51 TRP HB2 H 2.849 0.000 . 566 51 51 TRP HB3 H 3.210 0.000 . 567 51 51 TRP HD1 H 6.917 0.000 . 568 51 51 TRP HE1 H 10.076 0.000 . 569 51 51 TRP HE3 H 5.354 0.001 . 570 51 51 TRP HZ2 H 7.145 0.000 . 571 51 51 TRP HZ3 H 6.136 0.001 . 572 51 51 TRP HH2 H 6.691 0.000 . 573 51 51 TRP C C 173.891 0.000 . 574 51 51 TRP CA C 56.886 0.053 . 575 51 51 TRP CB C 29.950 0.035 . 576 51 51 TRP CD1 C 126.844 0.000 . 577 51 51 TRP CE3 C 121.153 0.120 . 578 51 51 TRP CZ2 C 112.717 0.000 . 579 51 51 TRP CZ3 C 121.062 0.084 . 580 51 51 TRP CH2 C 124.043 0.000 . 581 51 51 TRP N N 122.312 0.020 . 582 51 51 TRP NE1 N 127.783 0.000 . 583 52 52 ASP H H 7.849 0.001 . 584 52 52 ASP HA H 4.567 0.000 . 585 52 52 ASP HB2 H 2.120 0.000 . 586 52 52 ASP HB3 H 2.524 0.000 . 587 52 52 ASP CA C 52.044 0.054 . 588 52 52 ASP CB C 42.796 0.034 . 589 52 52 ASP N N 129.271 0.028 . 590 53 53 GLY H H 8.407 0.003 . 591 53 53 GLY HA2 H 3.781 0.000 . 592 53 53 GLY HA3 H 3.547 0.000 . 593 53 53 GLY C C 174.730 0.000 . 594 53 53 GLY CA C 46.448 0.067 . 595 53 53 GLY N N 111.691 0.013 . 596 54 54 GLU H H 8.058 0.001 . 597 54 54 GLU HA H 4.113 0.000 . 598 54 54 GLU HB2 H 2.038 0.000 . 599 54 54 GLU HG2 H 2.258 0.000 . 600 54 54 GLU HG3 H 2.092 0.000 . 601 54 54 GLU C C 178.042 0.000 . 602 54 54 GLU CA C 58.252 0.031 . 603 54 54 GLU CB C 29.712 0.020 . 604 54 54 GLU CG C 36.573 0.011 . 605 54 54 GLU N N 120.320 0.012 . 606 55 55 LYS H H 7.566 0.001 . 607 55 55 LYS HA H 3.966 0.000 . 608 55 55 LYS HB2 H 1.661 0.000 . 609 55 55 LYS HB3 H 1.090 0.000 . 610 55 55 LYS HG2 H 1.317 0.000 . 611 55 55 LYS HG3 H 1.208 0.000 . 612 55 55 LYS HD2 H 1.369 0.000 . 613 55 55 LYS HD3 H 1.488 0.000 . 614 55 55 LYS HE3 H 2.869 0.000 . 615 55 55 LYS C C 175.560 0.000 . 616 55 55 LYS CA C 56.295 0.030 . 617 55 55 LYS CB C 33.815 0.059 . 618 55 55 LYS CG C 25.674 0.026 . 619 55 55 LYS CD C 28.884 0.007 . 620 55 55 LYS CE C 41.635 0.000 . 621 55 55 LYS N N 117.521 0.016 . 622 56 56 GLU H H 7.743 0.001 . 623 56 56 GLU HA H 2.993 0.000 . 624 56 56 GLU HB3 H 2.116 0.000 . 625 56 56 GLU HG2 H 1.989 0.000 . 626 56 56 GLU HG3 H 2.071 0.000 . 627 56 56 GLU CA C 56.809 0.063 . 628 56 56 GLU CB C 26.649 0.020 . 629 56 56 GLU CG C 37.259 0.013 . 630 56 56 GLU N N 116.459 0.020 . 631 57 57 THR H H 6.386 0.009 . 632 57 57 THR HA H 4.203 0.000 . 633 57 57 THR HB H 3.877 0.000 . 634 57 57 THR HG2 H 0.754 0.000 . 635 57 57 THR C C 170.950 0.000 . 636 57 57 THR CA C 59.919 0.098 . 637 57 57 THR CB C 69.601 0.020 . 638 57 57 THR CG2 C 19.209 0.000 . 639 57 57 THR N N 109.256 0.018 . 640 58 58 TYR H H 7.463 0.001 . 641 58 58 TYR HA H 4.903 0.000 . 642 58 58 TYR HB2 H 2.589 0.000 . 643 58 58 TYR HB3 H 2.541 0.000 . 644 58 58 TYR HD1 H 6.416 0.000 . 645 58 58 TYR HD2 H 6.416 0.000 . 646 58 58 TYR HE1 H 5.788 0.000 . 647 58 58 TYR HE2 H 5.788 0.000 . 648 58 58 TYR C C 175.697 0.000 . 649 58 58 TYR CA C 57.541 0.083 . 650 58 58 TYR CB C 39.852 0.053 . 651 58 58 TYR CD1 C 132.273 0.000 . 652 58 58 TYR CD2 C 132.273 0.000 . 653 58 58 TYR CE1 C 118.610 0.000 . 654 58 58 TYR CE2 C 118.610 0.000 . 655 58 58 TYR N N 120.611 0.004 . 656 59 59 VAL H H 9.130 0.001 . 657 59 59 VAL HA H 4.518 0.000 . 658 59 59 VAL HB H 1.431 0.000 . 659 59 59 VAL CA C 58.557 0.035 . 660 59 59 VAL CB C 34.073 0.035 . 661 59 59 VAL N N 123.675 0.017 . 662 60 60 PRO HA H 4.656 0.000 . 663 60 60 PRO HB2 H 1.931 0.000 . 664 60 60 PRO HB3 H 2.325 0.000 . 665 60 60 PRO HG2 H 1.818 0.000 . 666 60 60 PRO HG3 H 2.113 0.000 . 667 60 60 PRO HD2 H 3.631 0.000 . 668 60 60 PRO HD3 H 3.780 0.000 . 669 60 60 PRO C C 176.432 0.000 . 670 60 60 PRO CA C 63.393 0.032 . 671 60 60 PRO CB C 32.209 0.024 . 672 60 60 PRO CG C 27.995 0.031 . 673 60 60 PRO CD C 51.066 0.014 . 674 61 61 ALA H H 8.624 0.001 . 675 61 61 ALA HA H 4.382 0.000 . 676 61 61 ALA HB H 1.110 0.000 . 677 61 61 ALA C C 177.356 0.000 . 678 61 61 ALA CA C 52.439 0.019 . 679 61 61 ALA CB C 19.274 0.057 . 680 61 61 ALA N N 125.845 0.013 . 681 62 62 ALA H H 8.382 0.003 . 682 62 62 ALA HA H 4.395 0.000 . 683 62 62 ALA HB H 1.435 0.000 . 684 62 62 ALA C C 177.414 0.000 . 685 62 62 ALA CA C 52.307 0.037 . 686 62 62 ALA CB C 19.655 0.047 . 687 62 62 ALA N N 123.129 0.009 . 688 63 63 GLU H H 8.441 0.002 . 689 63 63 GLU HA H 4.340 0.000 . 690 63 63 GLU HB2 H 2.127 0.000 . 691 63 63 GLU HB3 H 1.950 0.000 . 692 63 63 GLU HG2 H 2.263 0.000 . 693 63 63 GLU HG3 H 2.300 0.000 . 694 63 63 GLU C C 175.639 0.000 . 695 63 63 GLU CA C 56.625 0.086 . 696 63 63 GLU CB C 30.489 0.046 . 697 63 63 GLU CG C 36.385 0.005 . 698 63 63 GLU N N 120.758 0.014 . 699 64 64 SER H H 7.968 0.001 . 700 64 64 SER HA H 4.248 0.000 . 701 64 64 SER HB3 H 3.822 0.000 . 702 64 64 SER CA C 59.962 0.055 . 703 64 64 SER CB C 64.916 0.056 . 704 64 64 SER N N 122.157 0.020 . stop_ save_