data_25434 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the OCRE Domain of RBM10 ; _BMRB_accession_number 25434 _BMRB_flat_file_name bmr25434.str _Entry_type original _Submission_date 2015-01-20 _Accession_date 2015-01-20 _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 Martin B. T. . 2 Geralt M. . . 3 Serrano P. . . 4 Wuthrich K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 505 "13C chemical shifts" 294 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-30 update BMRB 'update entry citation' 2015-03-30 original author 'original release' stop_ _Original_release_date 2016-08-30 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear Magnetic Resonance Structure of a Novel Globular Domain in RBM10 Containing OCRE, the Octamer Repeat Sequence Motif ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26712279 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin Bryan T. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation Structure _Journal_volume 24 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 158 _Page_last 164 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name OCRE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label OCRE $OCRE 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_OCRE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OCRE _Molecular_mass 10856.678 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GHMQESYSQYPVPDVSTYQY DETSGYYYDPQTGLYYDPNS QYYYNAQSQQYLYWDGERRT YVPALEQSADGHKETGAPSK EGKEKKEKHKTK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 GLN 5 GLU 6 SER 7 TYR 8 SER 9 GLN 10 TYR 11 PRO 12 VAL 13 PRO 14 ASP 15 VAL 16 SER 17 THR 18 TYR 19 GLN 20 TYR 21 ASP 22 GLU 23 THR 24 SER 25 GLY 26 TYR 27 TYR 28 TYR 29 ASP 30 PRO 31 GLN 32 THR 33 GLY 34 LEU 35 TYR 36 TYR 37 ASP 38 PRO 39 ASN 40 SER 41 GLN 42 TYR 43 TYR 44 TYR 45 ASN 46 ALA 47 GLN 48 SER 49 GLN 50 GLN 51 TYR 52 LEU 53 TYR 54 TRP 55 ASP 56 GLY 57 GLU 58 ARG 59 ARG 60 THR 61 TYR 62 VAL 63 PRO 64 ALA 65 LEU 66 GLU 67 GLN 68 SER 69 ALA 70 ASP 71 GLY 72 HIS 73 LYS 74 GLU 75 THR 76 GLY 77 ALA 78 PRO 79 SER 80 LYS 81 GLU 82 GLY 83 LYS 84 GLU 85 LYS 86 LYS 87 GLU 88 LYS 89 HIS 90 LYS 91 THR 92 LYS 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 $OCRE Human 9606 Eukaryota Metazoa Homo sapiens RBM10 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 $OCRE 'recombinant technology' . Escherichia coli BL21(DE3) pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '[U-98% 13C; U-98% 15N], 1.2 mM;20 mM phosphate buffer; 50 mM NaCl; 5 mM Sodium Azide; pH 6.0; 90% H2O; 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $OCRE 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task collection 'data analysis' processing 'structure solution' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version v2010 loop_ _Vendor _Address _Electronic_address '(UNIO) Hermann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address '(CARA) Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_APSY_4D-HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _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' 0.240 . M pH 6.0 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' 'APSY 4D-HACANH' 'APSY 5D-CBCACONH' 'APSY 5D-HACACONH' 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 OCRE _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 5 5 GLU H H 8.538 0.000 . 2 5 5 GLU HA H 4.534 0.000 . 3 5 5 GLU HB2 H 1.970 0.000 . 4 5 5 GLU HB3 H 1.970 0.000 . 5 5 5 GLU HG2 H 2.344 0.000 . 6 5 5 GLU HG3 H 2.344 0.000 . 7 5 5 GLU CA C 63.240 0.000 . 8 5 5 GLU CB C 32.225 0.000 . 9 5 5 GLU CG C 32.225 0.000 . 10 5 5 GLU N N 123.289 0.000 . 11 6 6 SER H H 8.435 0.000 . 12 6 6 SER HA H 4.552 0.000 . 13 6 6 SER HB2 H 3.969 0.000 . 14 6 6 SER HB3 H 4.045 0.000 . 15 6 6 SER CA C 58.231 0.000 . 16 6 6 SER CB C 64.028 0.000 . 17 6 6 SER N N 115.506 0.000 . 18 7 7 TYR H H 8.137 0.000 . 19 7 7 TYR HA H 4.742 0.000 . 20 7 7 TYR HB2 H 3.211 0.000 . 21 7 7 TYR HB3 H 3.043 0.000 . 22 7 7 TYR HD1 H 7.155 0.000 . 23 7 7 TYR HD2 H 7.155 0.000 . 24 7 7 TYR HE1 H 6.884 0.000 . 25 7 7 TYR HE2 H 6.884 0.000 . 26 7 7 TYR CA C 57.611 0.000 . 27 7 7 TYR CB C 39.176 0.000 . 28 7 7 TYR CD1 C 133.664 0.000 . 29 7 7 TYR CD2 C 133.664 0.000 . 30 7 7 TYR CE1 C 118.601 0.000 . 31 7 7 TYR CE2 C 118.601 0.000 . 32 7 7 TYR N N 121.104 0.000 . 33 8 8 SER H H 8.364 0.000 . 34 8 8 SER HA H 4.539 0.000 . 35 8 8 SER HB2 H 3.898 0.000 . 36 8 8 SER HB3 H 3.898 0.000 . 37 8 8 SER CA C 58.327 0.000 . 38 8 8 SER CB C 63.958 0.000 . 39 8 8 SER N N 116.875 0.000 . 40 9 9 GLN H H 8.414 0.000 . 41 9 9 GLN HA H 4.443 0.000 . 42 9 9 GLN HB2 H 2.200 0.000 . 43 9 9 GLN HB3 H 2.085 0.000 . 44 9 9 GLN HG2 H 2.398 0.000 . 45 9 9 GLN HG3 H 2.398 0.000 . 46 9 9 GLN HE21 H 7.018 0.000 . 47 9 9 GLN HE22 H 7.565 0.000 . 48 9 9 GLN CA C 56.678 0.000 . 49 9 9 GLN CB C 30.372 0.000 . 50 9 9 GLN CG C 33.789 0.000 . 51 9 9 GLN N N 120.999 0.000 . 52 9 9 GLN NE2 N 112.018 0.000 . 53 10 10 TYR H H 8.549 0.000 . 54 10 10 TYR HA H 4.974 0.000 . 55 10 10 TYR HB2 H 2.979 0.000 . 56 10 10 TYR HB3 H 3.471 0.000 . 57 10 10 TYR HD1 H 7.464 0.000 . 58 10 10 TYR HD2 H 7.464 0.000 . 59 10 10 TYR HE1 H 7.013 0.000 . 60 10 10 TYR HE2 H 7.013 0.000 . 61 10 10 TYR CA C 56.383 0.000 . 62 10 10 TYR CB C 40.009 0.000 . 63 10 10 TYR CD1 C 134.000 0.000 . 64 10 10 TYR CD2 C 134.000 0.000 . 65 10 10 TYR CE1 C 118.913 0.000 . 66 10 10 TYR CE2 C 118.913 0.000 . 67 10 10 TYR N N 121.815 0.000 . 68 11 11 PRO HA H 4.616 0.000 . 69 11 11 PRO HB2 H 2.345 0.000 . 70 11 11 PRO HB3 H 2.345 0.000 . 71 11 11 PRO HG2 H 2.053 0.000 . 72 11 11 PRO HG3 H 2.053 0.000 . 73 11 11 PRO HD2 H 3.806 0.000 . 74 11 11 PRO HD3 H 3.901 0.000 . 75 11 11 PRO CA C 61.999 0.000 . 76 11 11 PRO CB C 32.203 0.000 . 77 11 11 PRO CG C 27.492 0.000 . 78 11 11 PRO CD C 50.487 0.000 . 79 12 12 VAL H H 8.074 0.000 . 80 12 12 VAL HA H 3.800 0.000 . 81 12 12 VAL HB H 1.965 0.000 . 82 12 12 VAL HG1 H 1.012 0.000 . 83 12 12 VAL HG2 H 1.199 0.000 . 84 12 12 VAL CA C 60.457 0.000 . 85 12 12 VAL CB C 32.251 0.000 . 86 12 12 VAL CG1 C 20.911 0.000 . 87 12 12 VAL CG2 C 21.468 0.000 . 88 12 12 VAL N N 120.450 0.000 . 89 13 13 PRO HA H 4.018 0.000 . 90 13 13 PRO HB2 H 2.035 0.000 . 91 13 13 PRO HB3 H 1.501 0.000 . 92 13 13 PRO HG2 H 1.089 0.000 . 93 13 13 PRO HG3 H 1.089 0.000 . 94 13 13 PRO HD2 H 2.227 0.000 . 95 13 13 PRO HD3 H 1.982 0.000 . 96 13 13 PRO CA C 63.180 0.000 . 97 13 13 PRO CB C 32.632 0.000 . 98 13 13 PRO CG C 26.436 0.000 . 99 13 13 PRO CD C 49.738 0.000 . 100 14 14 ASP H H 8.148 0.000 . 101 14 14 ASP HA H 4.711 0.000 . 102 14 14 ASP HB2 H 2.511 0.000 . 103 14 14 ASP HB3 H 2.806 0.000 . 104 14 14 ASP CA C 52.074 0.000 . 105 14 14 ASP CB C 41.050 0.000 . 106 14 14 ASP N N 120.579 0.000 . 107 15 15 VAL H H 8.161 0.000 . 108 15 15 VAL HA H 2.170 0.000 . 109 15 15 VAL HB H 1.649 0.000 . 110 15 15 VAL HG1 H 0.649 0.000 . 111 15 15 VAL HG2 H 0.522 0.000 . 112 15 15 VAL CA C 62.769 0.000 . 113 15 15 VAL CB C 30.897 0.000 . 114 15 15 VAL CG1 C 19.453 0.000 . 115 15 15 VAL CG2 C 20.403 0.000 . 116 15 15 VAL N N 120.884 0.000 . 117 16 16 SER H H 8.139 0.000 . 118 16 16 SER HA H 4.294 0.000 . 119 16 16 SER HB2 H 3.971 0.000 . 120 16 16 SER HB3 H 4.036 0.000 . 121 16 16 SER CA C 61.011 0.000 . 122 16 16 SER CB C 63.004 0.000 . 123 16 16 SER N N 116.885 0.000 . 124 17 17 THR H H 7.549 0.000 . 125 17 17 THR HA H 4.558 0.000 . 126 17 17 THR HB H 4.628 0.000 . 127 17 17 THR HG2 H 1.267 0.000 . 128 17 17 THR CA C 61.987 0.000 . 129 17 17 THR CB C 70.459 0.000 . 130 17 17 THR CG2 C 21.843 0.000 . 131 17 17 THR N N 110.397 0.000 . 132 18 18 TYR H H 7.365 0.000 . 133 18 18 TYR HA H 5.168 0.000 . 134 18 18 TYR HB2 H 3.462 0.000 . 135 18 18 TYR HB3 H 3.363 0.000 . 136 18 18 TYR HD1 H 6.943 0.000 . 137 18 18 TYR HD2 H 6.943 0.000 . 138 18 18 TYR HE1 H 6.332 0.000 . 139 18 18 TYR HE2 H 6.332 0.000 . 140 18 18 TYR CA C 54.823 0.000 . 141 18 18 TYR CB C 37.740 0.000 . 142 18 18 TYR CD1 C 131.066 0.000 . 143 18 18 TYR CD2 C 131.066 0.000 . 144 18 18 TYR CE1 C 119.778 0.000 . 145 18 18 TYR CE2 C 119.778 0.000 . 146 18 18 TYR N N 120.956 0.000 . 147 19 19 GLN H H 9.372 0.000 . 148 19 19 GLN HA H 5.052 0.000 . 149 19 19 GLN HB2 H 2.352 0.000 . 150 19 19 GLN HB3 H 2.424 0.000 . 151 19 19 GLN HG2 H 2.714 0.000 . 152 19 19 GLN HG3 H 2.714 0.000 . 153 19 19 GLN HE21 H 7.707 0.000 . 154 19 19 GLN HE22 H 7.003 0.000 . 155 19 19 GLN CA C 54.386 0.000 . 156 19 19 GLN CB C 31.447 0.000 . 157 19 19 GLN CG C 33.918 0.000 . 158 19 19 GLN N N 119.670 0.000 . 159 19 19 GLN NE2 N 111.304 0.000 . 160 20 20 TYR H H 9.433 0.000 . 161 20 20 TYR HA H 4.102 0.000 . 162 20 20 TYR HB2 H 2.923 0.000 . 163 20 20 TYR HB3 H 2.887 0.000 . 164 20 20 TYR HD1 H 6.357 0.000 . 165 20 20 TYR HD2 H 6.357 0.000 . 166 20 20 TYR HE1 H 6.644 0.000 . 167 20 20 TYR HE2 H 6.644 0.000 . 168 20 20 TYR CA C 59.374 0.000 . 169 20 20 TYR CB C 39.026 0.000 . 170 20 20 TYR CD1 C 132.940 0.000 . 171 20 20 TYR CD2 C 132.940 0.000 . 172 20 20 TYR CE1 C 118.355 0.000 . 173 20 20 TYR CE2 C 118.355 0.000 . 174 20 20 TYR N N 126.395 0.000 . 175 21 21 ASP H H 8.128 0.000 . 176 21 21 ASP HA H 4.880 0.000 . 177 21 21 ASP HB2 H 2.528 0.000 . 178 21 21 ASP HB3 H 3.107 0.000 . 179 21 21 ASP CA C 52.333 0.000 . 180 21 21 ASP CB C 42.332 0.000 . 181 21 21 ASP N N 128.962 0.000 . 182 22 22 GLU H H 8.768 0.000 . 183 22 22 GLU HA H 3.798 0.000 . 184 22 22 GLU HB2 H 2.167 0.000 . 185 22 22 GLU HB3 H 2.167 0.000 . 186 22 22 GLU HG2 H 2.467 0.000 . 187 22 22 GLU HG3 H 2.467 0.000 . 188 22 22 GLU CA C 58.633 0.000 . 189 22 22 GLU CB C 29.712 0.000 . 190 22 22 GLU CG C 36.123 0.000 . 191 22 22 GLU N N 124.636 0.000 . 192 23 23 THR H H 8.031 0.000 . 193 23 23 THR HA H 4.045 0.000 . 194 23 23 THR HB H 4.350 0.000 . 195 23 23 THR HG2 H 1.281 0.000 . 196 23 23 THR CA C 65.526 0.000 . 197 23 23 THR CB C 68.434 0.000 . 198 23 23 THR CG2 C 21.981 0.000 . 199 23 23 THR N N 112.402 0.000 . 200 24 24 SER H H 7.503 0.000 . 201 24 24 SER HA H 4.327 0.000 . 202 24 24 SER HB2 H 3.577 0.000 . 203 24 24 SER HB3 H 3.692 0.000 . 204 24 24 SER CA C 59.046 0.000 . 205 24 24 SER CB C 65.024 0.000 . 206 24 24 SER N N 113.712 0.000 . 207 25 25 GLY H H 8.304 0.000 . 208 25 25 GLY HA2 H 3.780 0.000 . 209 25 25 GLY HA3 H 4.129 0.000 . 210 25 25 GLY CA C 45.627 0.000 . 211 25 25 GLY N N 111.227 0.000 . 212 26 26 TYR H H 7.951 0.000 . 213 26 26 TYR HA H 5.387 0.000 . 214 26 26 TYR HB2 H 3.215 0.000 . 215 26 26 TYR HB3 H 3.716 0.000 . 216 26 26 TYR HD1 H 7.065 0.000 . 217 26 26 TYR HD2 H 7.065 0.000 . 218 26 26 TYR HE1 H 6.714 0.000 . 219 26 26 TYR HE2 H 6.714 0.000 . 220 26 26 TYR CA C 55.006 0.000 . 221 26 26 TYR CB C 40.743 0.000 . 222 26 26 TYR CD1 C 131.989 0.000 . 223 26 26 TYR CD2 C 131.989 0.000 . 224 26 26 TYR CE1 C 118.526 0.000 . 225 26 26 TYR CE2 C 118.526 0.000 . 226 26 26 TYR N N 117.907 0.000 . 227 27 27 TYR H H 9.253 0.000 . 228 27 27 TYR HA H 5.358 0.000 . 229 27 27 TYR HB2 H 3.554 0.000 . 230 27 27 TYR HB3 H 3.342 0.000 . 231 27 27 TYR HD1 H 7.399 0.000 . 232 27 27 TYR HD2 H 7.399 0.000 . 233 27 27 TYR HE1 H 7.140 0.000 . 234 27 27 TYR HE2 H 7.140 0.000 . 235 27 27 TYR CA C 58.243 0.000 . 236 27 27 TYR CB C 41.412 0.000 . 237 27 27 TYR CD1 C 133.359 0.000 . 238 27 27 TYR CD2 C 133.359 0.000 . 239 27 27 TYR CE1 C 119.381 0.000 . 240 27 27 TYR CE2 C 119.381 0.000 . 241 27 27 TYR N N 116.474 0.000 . 242 28 28 TYR H H 9.686 0.000 . 243 28 28 TYR HA H 4.778 0.000 . 244 28 28 TYR HB2 H 2.870 0.000 . 245 28 28 TYR HB3 H 2.870 0.000 . 246 28 28 TYR HD1 H 6.230 0.000 . 247 28 28 TYR HD2 H 6.230 0.000 . 248 28 28 TYR HE1 H 6.531 0.000 . 249 28 28 TYR HE2 H 6.531 0.000 . 250 28 28 TYR CA C 56.983 0.000 . 251 28 28 TYR CB C 41.995 0.000 . 252 28 28 TYR CD1 C 133.244 0.000 . 253 28 28 TYR CD2 C 133.244 0.000 . 254 28 28 TYR CE1 C 118.040 0.000 . 255 28 28 TYR CE2 C 118.040 0.000 . 256 28 28 TYR N N 122.756 0.000 . 257 29 29 ASP H H 7.954 0.000 . 258 29 29 ASP HA H 4.752 0.000 . 259 29 29 ASP HB2 H 2.583 0.000 . 260 29 29 ASP HB3 H 1.310 0.000 . 261 29 29 ASP CA C 49.202 0.000 . 262 29 29 ASP CB C 42.165 0.000 . 263 29 29 ASP N N 125.994 0.000 . 264 30 30 PRO HA H 4.070 0.000 . 265 30 30 PRO HB2 H 2.539 0.000 . 266 30 30 PRO HB3 H 2.112 0.000 . 267 30 30 PRO HG2 H 2.207 0.000 . 268 30 30 PRO HG3 H 2.252 0.000 . 269 30 30 PRO HD2 H 4.260 0.000 . 270 30 30 PRO HD3 H 4.152 0.000 . 271 30 30 PRO CA C 63.608 0.000 . 272 30 30 PRO CB C 32.592 0.000 . 273 30 30 PRO CG C 27.391 0.000 . 274 30 30 PRO CD C 51.027 0.000 . 275 31 31 GLN H H 7.989 0.000 . 276 31 31 GLN HA H 4.232 0.000 . 277 31 31 GLN HB2 H 2.348 0.000 . 278 31 31 GLN HB3 H 2.348 0.000 . 279 31 31 GLN HG2 H 2.555 0.000 . 280 31 31 GLN HG3 H 2.555 0.000 . 281 31 31 GLN HE21 H 6.902 0.000 . 282 31 31 GLN HE22 H 7.770 0.000 . 283 31 31 GLN CA C 58.517 0.000 . 284 31 31 GLN CB C 29.305 0.000 . 285 31 31 GLN CG C 34.819 0.000 . 286 31 31 GLN N N 115.244 0.000 . 287 31 31 GLN NE2 N 111.517 0.000 . 288 32 32 THR H H 6.765 0.000 . 289 32 32 THR HA H 4.332 0.000 . 290 32 32 THR HB H 3.896 0.000 . 291 32 32 THR HG2 H 1.142 0.000 . 292 32 32 THR CA C 61.768 0.000 . 293 32 32 THR CB C 71.212 0.000 . 294 32 32 THR CG2 C 21.361 0.000 . 295 32 32 THR N N 104.641 0.000 . 296 33 33 GLY H H 8.439 0.000 . 297 33 33 GLY HA2 H 3.648 0.000 . 298 33 33 GLY HA3 H 4.140 0.000 . 299 33 33 GLY CA C 45.527 0.000 . 300 33 33 GLY N N 111.318 0.000 . 301 34 34 LEU H H 7.422 0.000 . 302 34 34 LEU HA H 4.601 0.000 . 303 34 34 LEU HB2 H 1.752 0.000 . 304 34 34 LEU HB3 H 1.470 0.000 . 305 34 34 LEU HG H 1.257 0.000 . 306 34 34 LEU HD1 H -0.033 0.000 . 307 34 34 LEU HD2 H 0.723 0.000 . 308 34 34 LEU CA C 54.021 0.000 . 309 34 34 LEU CB C 44.529 0.000 . 310 34 34 LEU CG C 26.926 0.000 . 311 34 34 LEU CD1 C 23.906 0.000 . 312 34 34 LEU CD2 C 23.128 0.000 . 313 34 34 LEU N N 118.537 0.000 . 314 35 35 TYR H H 8.692 0.000 . 315 35 35 TYR HA H 5.522 0.000 . 316 35 35 TYR HB2 H 3.138 0.000 . 317 35 35 TYR HB3 H 3.250 0.000 . 318 35 35 TYR HD1 H 7.448 0.000 . 319 35 35 TYR HD2 H 7.448 0.000 . 320 35 35 TYR HE1 H 6.953 0.000 . 321 35 35 TYR HE2 H 6.953 0.000 . 322 35 35 TYR CA C 57.246 0.000 . 323 35 35 TYR CB C 40.876 0.000 . 324 35 35 TYR CD1 C 133.862 0.000 . 325 35 35 TYR CD2 C 133.862 0.000 . 326 35 35 TYR CE1 C 119.109 0.000 . 327 35 35 TYR CE2 C 119.109 0.000 . 328 35 35 TYR N N 116.166 0.000 . 329 36 36 TYR H H 9.745 0.000 . 330 36 36 TYR HA H 4.956 0.000 . 331 36 36 TYR HB2 H 2.632 0.000 . 332 36 36 TYR HB3 H 2.794 0.000 . 333 36 36 TYR HD1 H 6.142 0.000 . 334 36 36 TYR HD2 H 6.142 0.000 . 335 36 36 TYR HE1 H 6.506 0.000 . 336 36 36 TYR HE2 H 6.506 0.000 . 337 36 36 TYR CA C 56.977 0.000 . 338 36 36 TYR CB C 42.714 0.000 . 339 36 36 TYR CD1 C 133.140 0.000 . 340 36 36 TYR CD2 C 133.145 0.000 . 341 36 36 TYR CE1 C 117.865 0.000 . 342 36 36 TYR CE2 C 117.865 0.000 . 343 36 36 TYR N N 121.442 0.000 . 344 37 37 ASP H H 8.029 0.000 . 345 37 37 ASP HA H 5.241 0.000 . 346 37 37 ASP HB2 H 2.279 0.000 . 347 37 37 ASP HB3 H 3.020 0.000 . 348 37 37 ASP CA C 49.282 0.000 . 349 37 37 ASP CB C 42.859 0.000 . 350 37 37 ASP N N 127.129 0.000 . 351 38 38 PRO HA H 4.079 0.000 . 352 38 38 PRO HB2 H 2.435 0.000 . 353 38 38 PRO HB3 H 2.219 0.000 . 354 38 38 PRO HG2 H 2.264 0.000 . 355 38 38 PRO HG3 H 2.264 0.000 . 356 38 38 PRO HD2 H 4.265 0.000 . 357 38 38 PRO HD3 H 4.484 0.000 . 358 38 38 PRO CA C 63.729 0.000 . 359 38 38 PRO CB C 32.488 0.000 . 360 38 38 PRO CG C 27.504 0.000 . 361 38 38 PRO CD C 51.224 0.000 . 362 39 39 ASN H H 8.232 0.000 . 363 39 39 ASN HA H 4.678 0.000 . 364 39 39 ASN HB2 H 2.955 0.000 . 365 39 39 ASN HB3 H 3.132 0.000 . 366 39 39 ASN HD21 H 7.216 0.000 . 367 39 39 ASN HD22 H 8.106 0.000 . 368 39 39 ASN CA C 55.719 0.000 . 369 39 39 ASN CB C 38.987 0.000 . 370 39 39 ASN N N 115.838 0.000 . 371 39 39 ASN ND2 N 115.135 0.000 . 372 40 40 SER H H 7.371 0.000 . 373 40 40 SER HA H 4.346 0.000 . 374 40 40 SER HB2 H 3.772 0.000 . 375 40 40 SER HB3 H 3.701 0.000 . 376 40 40 SER CA C 58.832 0.000 . 377 40 40 SER CB C 64.576 0.000 . 378 40 40 SER N N 112.476 0.000 . 379 41 41 GLN H H 8.203 0.000 . 380 41 41 GLN HA H 3.780 0.000 . 381 41 41 GLN HB2 H 2.594 0.000 . 382 41 41 GLN HB3 H 2.572 0.000 . 383 41 41 GLN HG2 H 2.397 0.000 . 384 41 41 GLN HG3 H 2.264 0.000 . 385 41 41 GLN HE21 H 6.853 0.000 . 386 41 41 GLN HE22 H 7.532 0.000 . 387 41 41 GLN CA C 58.162 0.000 . 388 41 41 GLN CB C 25.977 0.000 . 389 41 41 GLN CG C 34.944 0.000 . 390 41 41 GLN N N 114.329 0.000 . 391 41 41 GLN NE2 N 111.677 0.000 . 392 42 42 TYR H H 7.621 0.000 . 393 42 42 TYR HA H 5.521 0.000 . 394 42 42 TYR HB2 H 3.669 0.000 . 395 42 42 TYR HB3 H 3.173 0.000 . 396 42 42 TYR HD1 H 7.251 0.000 . 397 42 42 TYR HD2 H 7.251 0.000 . 398 42 42 TYR HE1 H 6.867 0.000 . 399 42 42 TYR HE2 H 6.867 0.000 . 400 42 42 TYR CA C 56.636 0.000 . 401 42 42 TYR CB C 40.381 0.000 . 402 42 42 TYR CD1 C 132.695 0.000 . 403 42 42 TYR CD2 C 132.695 0.000 . 404 42 42 TYR CE1 C 118.566 0.000 . 405 42 42 TYR CE2 C 118.566 0.000 . 406 42 42 TYR N N 115.202 0.000 . 407 43 43 TYR H H 9.724 0.000 . 408 43 43 TYR HA H 5.695 0.000 . 409 43 43 TYR HB2 H 2.974 0.000 . 410 43 43 TYR HB3 H 3.042 0.000 . 411 43 43 TYR HD1 H 7.338 0.000 . 412 43 43 TYR HD2 H 7.338 0.000 . 413 43 43 TYR HE1 H 7.031 0.000 . 414 43 43 TYR HE2 H 7.031 0.000 . 415 43 43 TYR CA C 57.321 0.000 . 416 43 43 TYR CB C 41.858 0.000 . 417 43 43 TYR CD1 C 133.983 0.000 . 418 43 43 TYR CD2 C 133.983 0.000 . 419 43 43 TYR CE1 C 118.576 0.000 . 420 43 43 TYR CE2 C 118.572 0.000 . 421 43 43 TYR N N 118.608 0.000 . 422 44 44 TYR H H 9.594 0.000 . 423 44 44 TYR HA H 5.182 0.000 . 424 44 44 TYR HB2 H 2.787 0.000 . 425 44 44 TYR HB3 H 2.566 0.000 . 426 44 44 TYR HD1 H 6.053 0.000 . 427 44 44 TYR HD2 H 6.053 0.000 . 428 44 44 TYR HE1 H 6.323 0.000 . 429 44 44 TYR HE2 H 6.323 0.000 . 430 44 44 TYR CA C 56.548 0.000 . 431 44 44 TYR CB C 42.263 0.000 . 432 44 44 TYR CD1 C 133.142 0.000 . 433 44 44 TYR CD2 C 133.142 0.000 . 434 44 44 TYR CE1 C 117.616 0.000 . 435 44 44 TYR CE2 C 117.616 0.000 . 436 44 44 TYR N N 121.727 0.000 . 437 45 45 ASN H H 8.244 0.000 . 438 45 45 ASN HA H 5.005 0.000 . 439 45 45 ASN HB2 H 2.221 0.000 . 440 45 45 ASN HB3 H 3.119 0.000 . 441 45 45 ASN HD21 H 7.197 0.000 . 442 45 45 ASN HD22 H 7.255 0.000 . 443 45 45 ASN CA C 50.920 0.000 . 444 45 45 ASN CB C 39.271 0.000 . 445 45 45 ASN N N 125.423 0.000 . 446 45 45 ASN ND2 N 112.372 0.000 . 447 46 46 ALA H H 8.974 0.000 . 448 46 46 ALA HA H 3.777 0.000 . 449 46 46 ALA HB H 1.595 0.000 . 450 46 46 ALA CA C 53.773 0.000 . 451 46 46 ALA CB C 19.155 0.000 . 452 46 46 ALA N N 126.039 0.000 . 453 47 47 GLN H H 8.349 0.000 . 454 47 47 GLN HA H 4.294 0.000 . 455 47 47 GLN HB2 H 2.351 0.000 . 456 47 47 GLN HB3 H 2.247 0.000 . 457 47 47 GLN HG2 H 2.533 0.000 . 458 47 47 GLN HG3 H 2.533 0.000 . 459 47 47 GLN HE21 H 7.545 0.000 . 460 47 47 GLN CA C 58.628 0.000 . 461 47 47 GLN CB C 28.523 0.000 . 462 47 47 GLN CG C 34.770 0.000 . 463 47 47 GLN N N 116.850 0.000 . 464 47 47 GLN NE2 N 111.616 0.000 . 465 48 48 SER H H 7.544 0.000 . 466 48 48 SER HA H 4.474 0.000 . 467 48 48 SER HB2 H 3.951 0.000 . 468 48 48 SER HB3 H 3.744 0.000 . 469 48 48 SER CA C 57.580 0.000 . 470 48 48 SER CB C 64.262 0.000 . 471 48 48 SER N N 111.872 0.000 . 472 49 49 GLN H H 7.969 0.000 . 473 49 49 GLN HA H 3.721 0.000 . 474 49 49 GLN HB2 H 2.487 0.000 . 475 49 49 GLN HB3 H 2.328 0.000 . 476 49 49 GLN HG2 H 2.245 0.000 . 477 49 49 GLN HG3 H 2.355 0.000 . 478 49 49 GLN HE21 H 6.810 0.000 . 479 49 49 GLN HE22 H 7.526 0.000 . 480 49 49 GLN CA C 57.175 0.000 . 481 49 49 GLN CB C 25.933 0.000 . 482 49 49 GLN CG C 34.650 0.000 . 483 49 49 GLN N N 118.063 0.000 . 484 49 49 GLN NE2 N 111.800 0.000 . 485 50 50 GLN H H 7.180 0.000 . 486 50 50 GLN HA H 4.819 0.000 . 487 50 50 GLN HB2 H 2.037 0.000 . 488 50 50 GLN HB3 H 1.791 0.000 . 489 50 50 GLN HG2 H 2.395 0.000 . 490 50 50 GLN HG3 H 2.395 0.000 . 491 50 50 GLN HE21 H 7.773 0.000 . 492 50 50 GLN HE22 H 7.029 0.000 . 493 50 50 GLN CA C 54.501 0.000 . 494 50 50 GLN CB C 33.410 0.000 . 495 50 50 GLN CG C 34.360 0.000 . 496 50 50 GLN N N 116.254 0.000 . 497 50 50 GLN NE2 N 112.306 0.000 . 498 51 51 TYR H H 8.931 0.000 . 499 51 51 TYR HA H 5.680 0.000 . 500 51 51 TYR HB2 H 2.829 0.000 . 501 51 51 TYR HB3 H 2.919 0.000 . 502 51 51 TYR HD1 H 7.332 0.000 . 503 51 51 TYR HD2 H 7.332 0.000 . 504 51 51 TYR HE1 H 6.788 0.000 . 505 51 51 TYR HE2 H 6.788 0.000 . 506 51 51 TYR CA C 58.170 0.000 . 507 51 51 TYR CB C 40.066 0.000 . 508 51 51 TYR CD1 C 133.774 0.000 . 509 51 51 TYR CD2 C 133.774 0.000 . 510 51 51 TYR CE1 C 118.760 0.000 . 511 51 51 TYR CE2 C 118.760 0.000 . 512 51 51 TYR N N 121.463 0.000 . 513 52 52 LEU H H 9.726 0.000 . 514 52 52 LEU HA H 5.548 0.000 . 515 52 52 LEU HB2 H 1.618 0.000 . 516 52 52 LEU HB3 H 1.705 0.000 . 517 52 52 LEU HG H 0.795 0.000 . 518 52 52 LEU HD1 H 0.739 0.000 . 519 52 52 LEU HD2 H 1.585 0.000 . 520 52 52 LEU CA C 54.433 0.000 . 521 52 52 LEU CB C 48.049 0.000 . 522 52 52 LEU CG C 27.302 0.000 . 523 52 52 LEU CD1 C 24.672 0.000 . 524 52 52 LEU CD2 C 27.582 0.000 . 525 52 52 LEU N N 122.429 0.000 . 526 53 53 TYR H H 9.533 0.000 . 527 53 53 TYR HA H 5.877 0.000 . 528 53 53 TYR HB2 H 3.460 0.000 . 529 53 53 TYR HB3 H 3.225 0.000 . 530 53 53 TYR HD1 H 7.166 0.000 . 531 53 53 TYR HD2 H 7.166 0.000 . 532 53 53 TYR HE1 H 6.922 0.000 . 533 53 53 TYR HE2 H 6.922 0.000 . 534 53 53 TYR CA C 55.717 0.000 . 535 53 53 TYR CB C 42.127 0.000 . 536 53 53 TYR CD1 C 134.265 0.000 . 537 53 53 TYR CD2 C 134.265 0.000 . 538 53 53 TYR CE1 C 118.676 0.000 . 539 53 53 TYR CE2 C 118.676 0.000 . 540 53 53 TYR N N 117.639 0.000 . 541 54 54 TRP H H 9.253 0.000 . 542 54 54 TRP HA H 4.506 0.000 . 543 54 54 TRP HB2 H 3.362 0.000 . 544 54 54 TRP HB3 H 3.021 0.000 . 545 54 54 TRP HD1 H 7.077 0.000 . 546 54 54 TRP HE1 H 10.188 0.000 . 547 54 54 TRP HE3 H 5.526 0.000 . 548 54 54 TRP HZ2 H 7.246 0.000 . 549 54 54 TRP HZ3 H 6.245 0.000 . 550 54 54 TRP HH2 H 6.860 0.000 . 551 54 54 TRP CA C 56.813 0.000 . 552 54 54 TRP CB C 30.348 0.000 . 553 54 54 TRP CD1 C 127.664 0.000 . 554 54 54 TRP CE3 C 121.943 0.000 . 555 54 54 TRP CZ2 C 113.002 0.000 . 556 54 54 TRP CZ3 C 121.601 0.000 . 557 54 54 TRP CH2 C 124.620 0.000 . 558 54 54 TRP N N 122.206 0.000 . 559 54 54 TRP NE1 N 127.239 0.000 . 560 55 55 ASP H H 8.031 0.000 . 561 55 55 ASP HA H 4.695 0.000 . 562 55 55 ASP HB2 H 2.273 0.000 . 563 55 55 ASP HB3 H 2.647 0.000 . 564 55 55 ASP CA C 51.883 0.000 . 565 55 55 ASP CB C 42.843 0.000 . 566 55 55 ASP N N 128.978 0.000 . 567 56 56 GLY H H 8.548 0.000 . 568 56 56 GLY HA2 H 3.676 0.000 . 569 56 56 GLY HA3 H 3.967 0.000 . 570 56 56 GLY CA C 46.775 0.000 . 571 56 56 GLY N N 111.521 0.000 . 572 57 57 GLU H H 8.188 0.000 . 573 57 57 GLU HA H 4.293 0.000 . 574 57 57 GLU HB2 H 2.188 0.000 . 575 57 57 GLU HB3 H 2.188 0.000 . 576 57 57 GLU HG2 H 2.391 0.000 . 577 57 57 GLU HG3 H 2.296 0.000 . 578 57 57 GLU CA C 58.318 0.000 . 579 57 57 GLU CB C 29.883 0.000 . 580 57 57 GLU CG C 36.570 0.000 . 581 57 57 GLU N N 120.202 0.000 . 582 58 58 ARG H H 7.636 0.000 . 583 58 58 ARG HA H 4.131 0.000 . 584 58 58 ARG HB2 H 1.181 0.000 . 585 58 58 ARG HB3 H 1.802 0.000 . 586 58 58 ARG HG2 H 1.691 0.000 . 587 58 58 ARG HG3 H 1.619 0.000 . 588 58 58 ARG HD2 H 3.078 0.000 . 589 58 58 ARG HD3 H 3.078 0.000 . 590 58 58 ARG HE H 7.217 0.000 . 591 58 58 ARG CA C 56.442 0.000 . 592 58 58 ARG CB C 31.887 0.000 . 593 58 58 ARG CG C 28.196 0.000 . 594 58 58 ARG CD C 43.676 0.000 . 595 58 58 ARG N N 116.912 0.000 . 596 58 58 ARG NE N 84.310 0.000 . 597 59 59 ARG H H 7.878 0.000 . 598 59 59 ARG HA H 3.237 0.000 . 599 59 59 ARG HB2 H 2.239 0.000 . 600 59 59 ARG HB3 H 2.132 0.000 . 601 59 59 ARG HG2 H 1.668 0.000 . 602 59 59 ARG HG3 H 1.668 0.000 . 603 59 59 ARG HD2 H 3.357 0.000 . 604 59 59 ARG HD3 H 3.357 0.000 . 605 59 59 ARG HE H 7.291 0.000 . 606 59 59 ARG HH22 H 10.188 0.000 . 607 59 59 ARG CA C 56.732 0.000 . 608 59 59 ARG CB C 26.634 0.000 . 609 59 59 ARG CG C 27.918 0.000 . 610 59 59 ARG CD C 44.209 0.000 . 611 59 59 ARG N N 116.563 0.000 . 612 59 59 ARG NE N 85.031 0.000 . 613 59 59 ARG NH2 N 73.200 0.000 . 614 60 60 THR H H 6.591 0.000 . 615 60 60 THR HA H 4.516 0.000 . 616 60 60 THR HB H 4.032 0.000 . 617 60 60 THR HG2 H 0.836 0.000 . 618 60 60 THR CA C 60.050 0.000 . 619 60 60 THR CB C 69.758 0.000 . 620 60 60 THR CG2 C 19.335 0.000 . 621 60 60 THR N N 109.170 0.000 . 622 61 61 TYR H H 7.474 0.000 . 623 61 61 TYR HA H 5.075 0.000 . 624 61 61 TYR HB2 H 2.628 0.000 . 625 61 61 TYR HB3 H 2.628 0.000 . 626 61 61 TYR HD1 H 6.411 0.000 . 627 61 61 TYR HD2 H 6.411 0.000 . 628 61 61 TYR HE1 H 5.794 0.000 . 629 61 61 TYR HE2 H 5.794 0.000 . 630 61 61 TYR CA C 57.393 0.000 . 631 61 61 TYR CB C 40.381 0.000 . 632 61 61 TYR CD1 C 132.677 0.000 . 633 61 61 TYR CD2 C 132.677 0.000 . 634 61 61 TYR CE1 C 119.116 0.000 . 635 61 61 TYR CE2 C 119.116 0.000 . 636 61 61 TYR N N 120.491 0.000 . 637 62 62 VAL H H 9.176 0.000 . 638 62 62 VAL HA H 4.644 0.000 . 639 62 62 VAL HB H 1.509 0.000 . 640 62 62 VAL HG1 H 1.031 0.000 . 641 62 62 VAL HG2 H 0.738 0.000 . 642 62 62 VAL CA C 58.610 0.000 . 643 62 62 VAL CB C 34.418 0.000 . 644 62 62 VAL CG1 C 21.361 0.000 . 645 62 62 VAL CG2 C 21.082 0.000 . 646 62 62 VAL N N 123.115 0.000 . 647 63 63 PRO HA H 4.764 0.000 . 648 63 63 PRO HB2 H 2.447 0.000 . 649 63 63 PRO HB3 H 2.056 0.000 . 650 63 63 PRO HG2 H 2.292 0.000 . 651 63 63 PRO HG3 H 1.986 0.000 . 652 63 63 PRO HD2 H 3.797 0.000 . 653 63 63 PRO HD3 H 3.943 0.000 . 654 63 63 PRO CA C 63.641 0.000 . 655 63 63 PRO CB C 32.558 0.000 . 656 63 63 PRO CG C 28.244 0.000 . 657 63 63 PRO CD C 51.131 0.000 . 658 64 64 ALA H H 8.708 0.000 . 659 64 64 ALA HA H 4.645 0.000 . 660 64 64 ALA HB H 1.292 0.000 . 661 64 64 ALA CA C 52.126 0.000 . 662 64 64 ALA CB C 19.752 0.000 . 663 64 64 ALA N N 126.032 0.000 . 664 65 65 LEU H H 8.469 0.000 . 665 65 65 LEU HA H 4.491 0.000 . 666 65 65 LEU HB2 H 1.766 0.000 . 667 65 65 LEU HB3 H 1.850 0.000 . 668 65 65 LEU HG H 1.782 0.000 . 669 65 65 LEU HD1 H 1.060 0.000 . 670 65 65 LEU HD2 H 1.038 0.000 . 671 65 65 LEU CA C 55.656 0.000 . 672 65 65 LEU CB C 42.638 0.000 . 673 65 65 LEU CG C 27.408 0.000 . 674 65 65 LEU CD1 C 25.238 0.000 . 675 65 65 LEU CD2 C 23.763 0.000 . 676 65 65 LEU N N 120.884 0.000 . 677 66 66 GLU H H 8.328 0.000 . 678 66 66 GLU HA H 4.546 0.000 . 679 66 66 GLU HB2 H 2.090 0.000 . 680 66 66 GLU HB3 H 2.168 0.000 . 681 66 66 GLU CA C 55.780 0.000 . 682 66 66 GLU CB C 33.027 0.000 . 683 66 66 GLU N N 115.912 0.000 . 684 67 67 GLN H H 8.478 0.000 . 685 67 67 GLN HA H 4.482 0.000 . 686 67 67 GLN HB2 H 2.262 0.000 . 687 67 67 GLN HB3 H 2.059 0.000 . 688 67 67 GLN HG2 H 2.399 0.000 . 689 67 67 GLN HG3 H 2.399 0.000 . 690 67 67 GLN CA C 55.771 0.000 . 691 67 67 GLN CB C 29.740 0.000 . 692 67 67 GLN CG C 33.904 0.000 . 693 67 67 GLN N N 120.380 0.000 . 694 68 68 SER H H 8.370 0.000 . 695 68 68 SER HA H 4.575 0.000 . 696 68 68 SER HB2 H 3.976 0.000 . 697 68 68 SER HB3 H 4.042 0.000 . 698 68 68 SER CA C 58.309 0.000 . 699 68 68 SER CB C 64.119 0.000 . 700 68 68 SER N N 116.287 0.000 . 701 69 69 ALA H H 8.533 0.000 . 702 69 69 ALA HA H 4.443 0.000 . 703 69 69 ALA HB H 1.510 0.000 . 704 69 69 ALA CA C 52.982 0.000 . 705 69 69 ALA CB C 19.365 0.000 . 706 69 69 ALA N N 125.968 0.000 . 707 70 70 ASP H H 8.300 0.000 . 708 70 70 ASP HA H 4.682 0.000 . 709 70 70 ASP HB2 H 2.793 0.000 . 710 70 70 ASP HB3 H 2.793 0.000 . 711 70 70 ASP CA C 54.469 0.000 . 712 70 70 ASP CB C 41.379 0.000 . 713 70 70 ASP N N 118.262 0.000 . 714 71 71 GLY H H 8.291 0.000 . 715 71 71 GLY HA2 H 4.016 0.000 . 716 71 71 GLY HA3 H 4.016 0.000 . 717 71 71 GLY CA C 45.822 0.000 . 718 71 71 GLY N N 108.495 0.000 . 719 72 72 HIS H H 8.354 0.000 . 720 72 72 HIS HA H 4.767 0.000 . 721 72 72 HIS HB2 H 3.353 0.000 . 722 72 72 HIS HB3 H 3.278 0.000 . 723 72 72 HIS HD2 H 7.280 0.000 . 724 72 72 HIS CA C 55.846 0.000 . 725 72 72 HIS CB C 29.363 0.000 . 726 72 72 HIS CD2 C 120.544 0.000 . 727 72 72 HIS N N 118.240 0.000 . 728 73 73 LYS H H 8.457 0.000 . 729 73 73 LYS HA H 4.443 0.000 . 730 73 73 LYS HB2 H 2.057 0.000 . 731 73 73 LYS HB3 H 2.057 0.000 . 732 73 73 LYS HG2 H 1.510 0.000 . 733 73 73 LYS HG3 H 1.510 0.000 . 734 73 73 LYS HD2 H 1.780 0.000 . 735 73 73 LYS HD3 H 1.780 0.000 . 736 73 73 LYS HE2 H 3.097 0.000 . 737 73 73 LYS HE3 H 3.097 0.000 . 738 73 73 LYS CA C 56.601 0.000 . 739 73 73 LYS CB C 33.133 0.000 . 740 73 73 LYS CG C 24.953 0.000 . 741 73 73 LYS CD C 29.298 0.000 . 742 73 73 LYS CE C 42.382 0.000 . 743 73 73 LYS N N 121.591 0.000 . 744 74 74 GLU H H 8.669 0.000 . 745 74 74 GLU HA H 4.494 0.000 . 746 74 74 GLU HB2 H 2.210 0.000 . 747 74 74 GLU HB3 H 2.073 0.000 . 748 74 74 GLU CA C 56.565 0.000 . 749 74 74 GLU CB C 30.327 0.000 . 750 74 74 GLU N N 122.169 0.000 . 751 75 75 THR H H 8.313 0.000 . 752 75 75 THR HA H 4.463 0.000 . 753 75 75 THR HB H 4.348 0.000 . 754 75 75 THR HG2 H 1.300 0.000 . 755 75 75 THR CA C 61.998 0.000 . 756 75 75 THR CB C 69.901 0.000 . 757 75 75 THR CG2 C 21.776 0.000 . 758 75 75 THR N N 114.560 0.000 . 759 76 76 GLY H H 8.493 0.000 . 760 76 76 GLY HA2 H 4.057 0.000 . 761 76 76 GLY HA3 H 4.057 0.000 . 762 76 76 GLY CA C 45.394 0.000 . 763 76 76 GLY N N 110.986 0.000 . 764 77 77 ALA H H 8.025 0.000 . 765 77 77 ALA HA H 4.634 0.000 . 766 77 77 ALA HB H 1.423 0.000 . 767 77 77 ALA CA C 50.611 0.000 . 768 77 77 ALA CB C 18.471 0.000 . 769 77 77 ALA N N 123.316 0.000 . 770 78 78 PRO HA H 4.728 0.000 . 771 78 78 PRO HG2 H 2.041 0.000 . 772 78 78 PRO HG3 H 2.041 0.000 . 773 78 78 PRO HD2 H 3.812 0.000 . 774 78 78 PRO HD3 H 3.653 0.000 . 775 78 78 PRO CA C 62.969 0.000 . 776 78 78 PRO CG C 27.585 0.000 . 777 78 78 PRO CD C 50.406 0.000 . 778 79 79 SER H H 8.627 0.000 . 779 79 79 SER HA H 4.543 0.000 . 780 79 79 SER HB2 H 3.891 0.000 . 781 79 79 SER HB3 H 3.915 0.000 . 782 79 79 SER CA C 58.548 0.000 . 783 79 79 SER CB C 63.972 0.000 . 784 79 79 SER N N 116.876 0.000 . 785 80 80 LYS H H 8.359 0.000 . 786 80 80 LYS HA H 4.397 0.000 . 787 80 80 LYS HB2 H 1.869 0.000 . 788 80 80 LYS HB3 H 1.968 0.000 . 789 80 80 LYS HG2 H 1.554 0.000 . 790 80 80 LYS HG3 H 1.518 0.000 . 791 80 80 LYS HD2 H 1.790 0.000 . 792 80 80 LYS HD3 H 1.790 0.000 . 793 80 80 LYS CA C 56.628 0.000 . 794 80 80 LYS CB C 33.268 0.000 . 795 80 80 LYS CG C 24.941 0.000 . 796 80 80 LYS CD C 29.333 0.000 . 797 80 80 LYS N N 122.282 0.000 . 798 81 81 GLU H H 8.521 0.000 . 799 81 81 GLU HA H 4.387 0.000 . 800 81 81 GLU HB2 H 2.083 0.000 . 801 81 81 GLU HB3 H 2.144 0.000 . 802 81 81 GLU CA C 56.773 0.000 . 803 81 81 GLU CB C 30.374 0.000 . 804 81 81 GLU N N 121.390 0.000 . 805 82 82 GLY H H 8.491 0.000 . 806 82 82 GLY HA2 H 4.084 0.000 . 807 82 82 GLY HA3 H 4.084 0.000 . 808 82 82 GLY CA C 45.733 0.000 . 809 82 82 GLY N N 109.657 0.000 . 810 83 83 LYS H H 8.237 0.000 . 811 83 83 LYS HA H 4.395 0.000 . 812 83 83 LYS HB2 H 1.936 0.000 . 813 83 83 LYS HG2 H 1.511 0.000 . 814 83 83 LYS CA C 56.900 0.000 . 815 83 83 LYS CB C 33.222 0.000 . 816 83 83 LYS CG C 24.967 0.000 . 817 83 83 LYS N N 120.424 0.000 . 818 84 84 GLU H H 8.571 0.000 . 819 84 84 GLU HA H 4.378 0.000 . 820 84 84 GLU HB2 H 2.098 0.000 . 821 84 84 GLU HB3 H 2.022 0.000 . 822 84 84 GLU HG2 H 2.360 0.000 . 823 84 84 GLU HG3 H 2.360 0.000 . 824 84 84 GLU CA C 56.735 0.000 . 825 84 84 GLU CB C 30.602 0.000 . 826 84 84 GLU CG C 36.448 0.000 . 827 84 84 GLU N N 120.758 0.000 . 828 85 85 LYS H H 8.558 0.000 . 829 85 85 LYS HA H 4.411 0.000 . 830 85 85 LYS HB2 H 1.888 0.000 . 831 85 85 LYS HB3 H 1.888 0.000 . 832 85 85 LYS HG2 H 1.515 0.000 . 833 85 85 LYS HG3 H 1.515 0.000 . 834 85 85 LYS HD2 H 1.783 0.000 . 835 85 85 LYS HD3 H 1.783 0.000 . 836 85 85 LYS HE2 H 3.103 0.000 . 837 85 85 LYS HE3 H 3.103 0.000 . 838 85 85 LYS CA C 56.321 0.000 . 839 85 85 LYS CB C 33.193 0.000 . 840 85 85 LYS CG C 24.914 0.000 . 841 85 85 LYS CD C 29.222 0.000 . 842 85 85 LYS CE C 42.396 0.000 . 843 85 85 LYS N N 122.155 0.000 . 844 86 86 LYS H H 8.397 0.000 . 845 86 86 LYS HA H 4.372 0.000 . 846 86 86 LYS HB2 H 1.865 0.000 . 847 86 86 LYS HB3 H 1.865 0.000 . 848 86 86 LYS HG2 H 1.482 0.000 . 849 86 86 LYS HG3 H 1.482 0.000 . 850 86 86 LYS CA C 56.669 0.000 . 851 86 86 LYS CB C 33.268 0.000 . 852 86 86 LYS CG C 24.936 0.000 . 853 86 86 LYS N N 122.185 0.000 . 854 87 87 GLU H H 8.175 0.000 . 855 87 87 GLU HA H 4.524 0.000 . 856 87 87 GLU HB2 H 1.963 0.000 . 857 87 87 GLU HB3 H 1.963 0.000 . 858 87 87 GLU HG2 H 2.347 0.000 . 859 87 87 GLU HG3 H 2.347 0.000 . 860 87 87 GLU CA C 58.257 0.000 . 861 87 87 GLU CB C 33.559 0.000 . 862 87 87 GLU CG C 36.443 0.000 . 863 87 87 GLU N N 124.443 0.000 . 864 89 89 HIS HA H 4.787 0.000 . 865 89 89 HIS HB2 H 3.309 0.000 . 866 89 89 HIS HB3 H 3.233 0.000 . 867 89 89 HIS HD2 H 7.249 0.000 . 868 89 89 HIS CA C 55.754 0.000 . 869 89 89 HIS CB C 30.327 0.000 . 870 89 89 HIS CD2 C 120.414 0.000 . 871 90 90 LYS H H 8.335 0.000 . 872 90 90 LYS HA H 4.397 0.000 . 873 90 90 LYS HB2 H 1.878 0.000 . 874 90 90 LYS HB3 H 1.878 0.000 . 875 90 90 LYS HG2 H 1.540 0.000 . 876 90 90 LYS HG3 H 1.540 0.000 . 877 90 90 LYS CA C 56.597 0.000 . 878 90 90 LYS CB C 33.222 0.000 . 879 90 90 LYS CG C 24.862 0.000 . 880 90 90 LYS N N 122.178 0.000 . 881 91 91 THR H H 8.047 0.000 . 882 91 91 THR HA H 4.453 0.000 . 883 91 91 THR HB H 4.365 0.000 . 884 91 91 THR HG2 H 1.322 0.000 . 885 91 91 THR CA C 61.956 0.000 . 886 91 91 THR CB C 69.916 0.000 . 887 91 91 THR CG2 C 21.889 0.000 . 888 91 91 THR N N 121.268 0.000 . 889 92 92 LYS H H 8.020 0.000 . 890 92 92 LYS HA H 4.281 0.000 . 891 92 92 LYS CA C 57.995 0.000 . 892 92 92 LYS N N 127.869 0.000 . stop_ save_