data_7383 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of RRM-1 of Yeast NPL3 Protein ; _BMRB_accession_number 7383 _BMRB_flat_file_name bmr7383.str _Entry_type new _Submission_date 2007-03-21 _Accession_date 2007-04-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deka P. . . 2 Bucheli M. . . 3 Skrisovska L. . . 4 Allain F. H. . 5 Moore C. . . 6 Buratowski S. . . 7 Varani G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 398 "13C chemical shifts" 258 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-05-06 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_title 'Structure of the yeast SR protein Npl3 and Interaction with mRNA 3'-end processing signals' _Citation_status published _Citation_type journal _PubMed_ID 18022637 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deka P. . . 2 Bucheli M. . . 3 Moore C. . . 4 Buratowski S. . . 5 Varani G. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 375 _Journal_issue 1 _Page_first 136 _Page_last 150 _Year 2008 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Nucleolar_protein_3 loop_ _Mol_system_component_name _Mol_label Nucleolar_protein_3 $Nucleolar_protein_3 stop_ _System_physical_state native _System_oligomer_state ? _System_paramagnetic no save_ ######################## # Monomeric polymers # ######################## save_Nucleolar_protein_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nucleolar_protein_3 _Mol_thiol_state 'not present' _Mol_residue_sequence ; ELSNTRLFVRPFPLDVQESE LNEIFGPFGPMKEVKILNGF AFVEFEEAESAAKAIEEVHG KSFANQPLEVVYSK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 7 GLU 2 8 LEU 3 9 SER 4 10 ASN 5 11 THR 6 12 ARG 7 13 LEU 8 14 PHE 9 15 VAL 10 16 ARG 11 17 PRO 12 18 PHE 13 19 PRO 14 20 LEU 15 21 ASP 16 22 VAL 17 23 GLN 18 24 GLU 19 25 SER 20 26 GLU 21 27 LEU 22 28 ASN 23 29 GLU 24 30 ILE 25 31 PHE 26 32 GLY 27 33 PRO 28 34 PHE 29 35 GLY 30 36 PRO 31 37 MET 32 38 LYS 33 39 GLU 34 40 VAL 35 41 LYS 36 42 ILE 37 43 LEU 38 44 ASN 39 45 GLY 40 46 PHE 41 47 ALA 42 48 PHE 43 49 VAL 44 50 GLU 45 51 PHE 46 52 GLU 47 53 GLU 48 54 ALA 49 55 GLU 50 56 SER 51 57 ALA 52 58 ALA 53 59 LYS 54 60 ALA 55 61 ILE 56 62 GLU 57 63 GLU 58 64 VAL 59 65 HIS 60 66 GLY 61 67 LYS 62 68 SER 63 69 PHE 64 70 ALA 65 71 ASN 66 72 GLN 67 73 PRO 68 74 LEU 69 75 GLU 70 76 VAL 71 77 VAL 72 78 TYR 73 79 SER 74 80 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-20 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 BMRB 15485 Npl3_RRM1 100.00 108 100.00 100.00 5.28e-44 PDB 2JVO "Segmental Isotope Labeling Of Npl3" 100.00 108 100.00 100.00 5.28e-44 PDB 2OSQ "Nmr Structure Of Rrm-1 Of Yeast Npl3 Protein" 100.00 74 100.00 100.00 1.29e-43 DBJ GAA22648 "K7_Npl3p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 414 100.00 100.00 3.33e-41 EMBL CAA46817 "nucleolar protein [Saccharomyces cerevisiae]" 100.00 414 100.00 100.00 3.50e-41 EMBL CAA50291 "Mts1p [Saccharomyces cerevisiae]" 100.00 414 100.00 100.00 3.50e-41 EMBL CAY78932 "Npl3p [Saccharomyces cerevisiae EC1118]" 100.00 414 100.00 100.00 3.50e-41 GB AAA34818 "Npl3p [Saccharomyces cerevisiae]" 100.00 414 100.00 100.00 3.50e-41 GB AAB64865 "Npl3p: nucleolar RNA processing and export protein [Saccharomyces cerevisiae]" 100.00 414 100.00 100.00 3.50e-41 GB AHY75384 "Npl3p [Saccharomyces cerevisiae YJM993]" 100.00 414 100.00 100.00 3.50e-41 GB EDN60757 "nuclear shuttling protein [Saccharomyces cerevisiae YJM789]" 100.00 414 100.00 100.00 3.50e-41 GB EDV07905 "nucleolar protein NOP3 [Saccharomyces cerevisiae RM11-1a]" 100.00 414 100.00 100.00 3.50e-41 REF NP_010720 "Npl3p [Saccharomyces cerevisiae S288c]" 100.00 414 100.00 100.00 3.50e-41 SP Q01560 "RecName: Full=Nucleolar protein 3; AltName: Full=Mitochondrial targeting suppressor 1 protein; AltName: Full=Nuclear polyadenyl" 100.00 414 100.00 100.00 3.50e-41 TPG DAA12270 "TPA: mRNA-binding protein NPL3 [Saccharomyces cerevisiae S288c]" 100.00 414 100.00 100.00 3.50e-41 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $Nucleolar_protein_3 yeast 4932 . Eukaryota Fungi Saccharomyces cerevisiae 'NOP3, MTS1, NAB1, NPL3' 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 $Nucleolar_protein_3 'recombinant technology' . . . . ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Nucleolar_protein_3 1.0 mM 0.9 1.1 '[U-99% 13C; U-99%15N]' 'Potassium phosphate' 20 mM . . . 'potassium chloride' 20 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'GUNTERT, P. ET AL.' . . stop_ loop_ _Task refinement stop_ save_ save_CYANA2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'GUNTERT, P. ET AL.' . . stop_ loop_ _Task 'structure solution' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' . . . pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference 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 H 1 'methyl protons' ppm 0 external direct ? ? ? 1 DSS C 13 'methyl protons' ppm 0 external indirect ? ? ? 0.251449530 DSS N 15 'methyl protons' ppm 0 external 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 loop_ _Experiment_label NOESY 3D_13C-separated_NOESY 3D_15N-separated_NOESY 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 Nucleolar_protein_3 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 7 1 GLU H H 8.217 . . 2 7 1 GLU HA H 4.240 . . 3 7 1 GLU HB2 H 1.893 . . 4 7 1 GLU HB3 H 2.025 . . 5 7 1 GLU HG2 H 2.119 . . 6 7 1 GLU HG3 H 2.195 . . 7 7 1 GLU C C 173.4 . . 8 7 1 GLU CA C 56.49 . . 9 7 1 GLU N N 121.9 . . 10 8 2 LEU H H 8.022 . . 11 8 2 LEU HA H 4.630 . . 12 8 2 LEU HB2 H 1.459 . . 13 8 2 LEU HB3 H 1.406 . . 14 8 2 LEU HD1 H 0.7425 . . 15 8 2 LEU HD2 H 0.8745 . . 16 8 2 LEU HG H 1.556 . . 17 8 2 LEU C C 175.2 . . 18 8 2 LEU CA C 54.05 . . 19 8 2 LEU CB C 43.53 . . 20 8 2 LEU CG C 27.16 . . 21 8 2 LEU N N 121.4 . . 22 9 3 SER H H 8.446 . . 23 9 3 SER HA H 4.301 . . 24 9 3 SER HB2 H 3.819 . . 25 9 3 SER HB3 H 3.947 . . 26 9 3 SER C C 172.1 . . 27 9 3 SER CA C 57.83 . . 28 9 3 SER CB C 63.78 . . 29 9 3 SER N N 115.1 . . 30 10 4 ASN H H 8.163 . . 31 10 4 ASN HA H 4.561 . . 32 10 4 ASN HB2 H 2.795 . . 33 10 4 ASN HB3 H 2.504 . . 34 10 4 ASN HD21 H 6.704 . . 35 10 4 ASN HD22 H 7.338 . . 36 10 4 ASN C C 173.8 . . 37 10 4 ASN CA C 52.70 . . 38 10 4 ASN CB C 38.98 . . 39 10 4 ASN N N 119.2 . . 40 10 4 ASN ND2 N 110.3 . . 41 11 5 THR H H 8.235 . . 42 11 5 THR HA H 4.469 . . 43 11 5 THR HB H 4.852 . . 44 11 5 THR HG2 H 0.9317 . . 45 11 5 THR C C 171.5 . . 46 11 5 THR CA C 61.82 . . 47 11 5 THR CB C 70.09 . . 48 11 5 THR N N 107.7 . . 49 12 6 ARG H H 8.442 . . 50 12 6 ARG HA H 5.015 . . 51 12 6 ARG HB2 H 1.924 . . 52 12 6 ARG HB3 H 1.857 . . 53 12 6 ARG HD2 H 2.984 . . 54 12 6 ARG HG2 H 1.394 . . 55 12 6 ARG C C 172.2 . . 56 12 6 ARG CA C 55.69 . . 57 12 6 ARG CD C 43.27 . . 58 12 6 ARG CG C 26.85 . . 59 12 6 ARG N N 125.0 . . 60 13 7 LEU H H 9.552 . . 61 13 7 LEU HA H 5.149 . . 62 13 7 LEU HB2 H 1.607 . . 63 13 7 LEU HB3 H 1.092 . . 64 13 7 LEU HD1 H 0.7556 . . 65 13 7 LEU HD2 H 0.4203 . . 66 13 7 LEU HG H 1.711 . . 67 13 7 LEU C C 173.5 . . 68 13 7 LEU CA C 53.08 . . 69 13 7 LEU CB C 43.89 . . 70 13 7 LEU CD1 C 24.06 . . 71 13 7 LEU CD2 C 26.45 . . 72 13 7 LEU CG C 26.93 . . 73 13 7 LEU N N 127.2 . . 74 14 8 PHE H H 9.412 . . 75 14 8 PHE HA H 5.120 . . 76 14 8 PHE HB2 H 2.991 . . 77 14 8 PHE HB3 H 2.826 . . 78 14 8 PHE C C 172.1 . . 79 14 8 PHE CA C 55.68 . . 80 14 8 PHE CB C 41.51 . . 81 14 8 PHE N N 124.6 . . 82 15 9 VAL H H 8.663 . . 83 15 9 VAL HA H 5.151 . . 84 15 9 VAL HB H 1.876 . . 85 15 9 VAL HG1 H 1.069 . . 86 15 9 VAL HG2 H 0.8013 . . 87 15 9 VAL C C 171.2 . . 88 15 9 VAL CA C 60.02 . . 89 15 9 VAL CB C 35.06 . . 90 15 9 VAL CG1 C 23.32 . . 91 15 9 VAL CG2 C 21.31 . . 92 15 9 VAL N N 127.1 . . 93 16 10 ARG H H 8.274 . . 94 16 10 ARG HA H 4.458 . . 95 16 10 ARG HB2 H 1.877 . . 96 16 10 ARG HD2 H 3.027 . . 97 16 10 ARG CA C 53.57 . . 98 16 10 ARG CB C 32.28 . . 99 16 10 ARG CD C 41.85 . . 100 16 10 ARG N N 122.8 . . 101 17 11 PRO HA H 4.795 . . 102 17 11 PRO HB2 H 1.920 . . 103 17 11 PRO HB3 H 2.127 . . 104 17 11 PRO HD2 H 3.528 . . 105 17 11 PRO HG2 H 1.854 . . 106 17 11 PRO C C 171.6 . . 107 17 11 PRO CA C 61.71 . . 108 17 11 PRO CB C 34.71 . . 109 17 11 PRO CD C 50.51 . . 110 18 12 PHE H H 7.367 . . 111 18 12 PHE HA H 5.004 . . 112 18 12 PHE HB2 H 2.053 . . 113 18 12 PHE HB3 H 2.984 . . 114 18 12 PHE HD1 H 6.700 . . 115 18 12 PHE CA C 55.68 . . 116 18 12 PHE CB C 43.40 . . 117 18 12 PHE N N 112.9 . . 118 19 13 PRO HA H 4.598 . . 119 19 13 PRO HB2 H 2.528 . . 120 19 13 PRO HB3 H 2.025 . . 121 19 13 PRO HD2 H 3.744 . . 122 19 13 PRO HG2 H 2.247 . . 123 19 13 PRO HG3 H 2.149 . . 124 19 13 PRO C C 176.1 . . 125 19 13 PRO CA C 62.18 . . 126 19 13 PRO CB C 32.76 . . 127 19 13 PRO CG C 28.09 . . 128 20 14 LEU H H 8.784 . . 129 20 14 LEU HA H 4.161 . . 130 20 14 LEU HB2 H 1.570 . . 131 20 14 LEU HB3 H 1.694 . . 132 20 14 LEU HD1 H 0.9410 . . 133 20 14 LEU HD2 H 0.8465 . . 134 20 14 LEU HG H 1.774 . . 135 20 14 LEU C C 175.7 . . 136 20 14 LEU CA C 57.03 . . 137 20 14 LEU CB C 41.19 . . 138 20 14 LEU CD1 C 24.11 . . 139 20 14 LEU CG C 27.55 . . 140 20 14 LEU N N 121.9 . . 141 21 15 ASP H H 8.198 . . 142 21 15 ASP HA H 4.600 . . 143 21 15 ASP HB2 H 2.507 . . 144 21 15 ASP HB3 H 2.917 . . 145 21 15 ASP C C 174.3 . . 146 21 15 ASP CA C 52.61 . . 147 21 15 ASP CB C 39.48 . . 148 21 15 ASP N N 114.9 . . 149 22 16 VAL H H 7.016 . . 150 22 16 VAL HA H 4.161 . . 151 22 16 VAL HB H 2.018 . . 152 22 16 VAL HG1 H 0.5017 . . 153 22 16 VAL HG2 H 0.8467 . . 154 22 16 VAL C C 171.1 . . 155 22 16 VAL CA C 62.35 . . 156 22 16 VAL CB C 32.30 . . 157 22 16 VAL CG1 C 20.30 . . 158 22 16 VAL CG2 C 22.27 . . 159 22 16 VAL N N 121.3 . . 160 23 17 GLN H H 8.599 . . 161 23 17 GLN HA H 4.602 . . 162 23 17 GLN HB2 H 1.934 . . 163 23 17 GLN HB3 H 2.029 . . 164 23 17 GLN HE21 H 7.474 . . 165 23 17 GLN HE22 H 6.808 . . 166 23 17 GLN HG2 H 2.469 . . 167 23 17 GLN HG3 H 2.408 . . 168 23 17 GLN C C 175.7 . . 169 23 17 GLN CA C 53.95 . . 170 23 17 GLN CG C 34.29 . . 171 23 17 GLN N N 124.0 . . 172 23 17 GLN NE2 N 114.2 . . 173 24 18 GLU H H 9.155 . . 174 24 18 GLU HA H 3.563 . . 175 24 18 GLU HB2 H 1.963 . . 176 24 18 GLU HB3 H 2.069 . . 177 24 18 GLU HG2 H 2.141 . . 178 24 18 GLU HG3 H 2.351 . . 179 24 18 GLU C C 176.5 . . 180 24 18 GLU CA C 60.87 . . 181 24 18 GLU CB C 29.43 . . 182 24 18 GLU CG C 36.37 . . 183 24 18 GLU N N 124.0 . . 184 25 19 SER H H 8.657 . . 185 25 19 SER HA H 4.746 . . 186 25 19 SER HB2 H 4.072 . . 187 25 19 SER HB3 H 3.912 . . 188 25 19 SER C C 175.0 . . 189 25 19 SER CA C 61.46 . . 190 25 19 SER CB C 61.30 . . 191 25 19 SER N N 112.9 . . 192 26 20 GLU H H 7.278 . . 193 26 20 GLU HA H 4.180 . . 194 26 20 GLU HB2 H 1.936 . . 195 26 20 GLU HB3 H 2.040 . . 196 26 20 GLU HG2 H 2.379 . . 197 26 20 GLU HG3 H 2.280 . . 198 26 20 GLU C C 177.1 . . 199 26 20 GLU CA C 59.17 . . 200 26 20 GLU N N 122.0 . . 201 27 21 LEU H H 7.084 . . 202 27 21 LEU HA H 4.008 . . 203 27 21 LEU HB2 H 1.399 . . 204 27 21 LEU HB3 H 1.659 . . 205 27 21 LEU HD1 H 0.138 . . 206 27 21 LEU HD2 H 0.03267 . . 207 27 21 LEU HG H 1.222 . . 208 27 21 LEU C C 177.6 . . 209 27 21 LEU CA C 58.12 . . 210 27 21 LEU CB C 41.31 . . 211 27 21 LEU CD1 C 25.17 . . 212 27 21 LEU CD2 C 24.35 . . 213 27 21 LEU CG C 29.65 . . 214 27 21 LEU N N 120.2 . . 215 28 22 ASN H H 8.607 . . 216 28 22 ASN HA H 4.299 . . 217 28 22 ASN HB2 H 2.813 . . 218 28 22 ASN HB3 H 2.789 . . 219 28 22 ASN HD21 H 6.685 . . 220 28 22 ASN HD22 H 7.313 . . 221 28 22 ASN C C 176.8 . . 222 28 22 ASN CA C 56.49 . . 223 28 22 ASN CB C 37.96 . . 224 28 22 ASN N N 119.9 . . 225 28 22 ASN ND2 N 108.7 . . 226 29 23 GLU H H 7.631 . . 227 29 23 GLU HA H 4.007 . . 228 29 23 GLU HB2 H 2.119 . . 229 29 23 GLU HB3 H 2.185 . . 230 29 23 GLU HG2 H 2.415 . . 231 29 23 GLU HG3 H 2.274 . . 232 29 23 GLU C C 175.7 . . 233 29 23 GLU CA C 59.09 . . 234 29 23 GLU CB C 29.83 . . 235 29 23 GLU CG C 36.26 . . 236 29 23 GLU N N 119.7 . . 237 30 24 ILE H H 7.065 . . 238 30 24 ILE HA H 3.670 . . 239 30 24 ILE HB H 1.452 . . 240 30 24 ILE HD1 H 0.590 . . 241 30 24 ILE HG12 H 0.9505 . . 242 30 24 ILE HG13 H 1.055 . . 243 30 24 ILE HG2 H 0.065 . . 244 30 24 ILE C C 174.6 . . 245 30 24 ILE CA C 64.02 . . 246 30 24 ILE CB C 39.69 . . 247 30 24 ILE CD1 C 13.55 . . 248 30 24 ILE CG1 C 19.09 . . 249 30 24 ILE CG2 C 17.34 . . 250 30 24 ILE N N 115.9 . . 251 31 25 PHE H H 8.149 . . 252 31 25 PHE HA H 4.927 . . 253 31 25 PHE HB2 H 3.561 . . 254 31 25 PHE HB3 H 2.775 . . 255 31 25 PHE HZ H 7.464 . . 256 31 25 PHE C C 173.7 . . 257 31 25 PHE CA C 61.10 . . 258 31 25 PHE CB C 41.22 . . 259 31 25 PHE N N 113.0 . . 260 32 26 GLY H H 8.320 . . 261 32 26 GLY HA2 H 4.192 . . 262 32 26 GLY HA3 H 4.194 . . 263 32 26 GLY CA C 47.96 . . 264 32 26 GLY N N 109.6 . . 265 33 27 PRO HA H 4.103 . . 266 33 27 PRO HB2 H 2.012 . . 267 33 27 PRO HB3 H 1.669 . . 268 33 27 PRO HD2 H 3.500 . . 269 33 27 PRO HD3 H 3.021 . . 270 33 27 PRO HG2 H 0.5944 . . 271 33 27 PRO C C 175.5 . . 272 33 27 PRO CA C 64.89 . . 273 33 27 PRO CB C 31.76 . . 274 33 27 PRO CD C 52.18 . . 275 33 27 PRO CG C 31.87 . . 276 34 28 PHE H H 7.547 . . 277 34 28 PHE HA H 4.303 . . 278 34 28 PHE HB2 H 2.981 . . 279 34 28 PHE HB3 H 3.210 . . 280 34 28 PHE HD1 H 7.495 . . 281 34 28 PHE HE1 H 7.673 . . 282 34 28 PHE HZ H 7.336 . . 283 34 28 PHE C C 173.9 . . 284 34 28 PHE CA C 59.83 . . 285 34 28 PHE CB C 38.33 . . 286 34 28 PHE N N 112.5 . . 287 35 29 GLY H H 7.753 . . 288 35 29 GLY HA2 H 3.993 . . 289 35 29 GLY HA3 H 4.690 . . 290 35 29 GLY CA C 44.95 . . 291 35 29 GLY N N 108.8 . . 292 36 30 PRO HA H 4.445 . . 293 36 30 PRO HB2 H 1.881 . . 294 36 30 PRO HB3 H 2.325 . . 295 36 30 PRO HD2 H 3.221 . . 296 36 30 PRO HD3 H 3.761 . . 297 36 30 PRO HG2 H 2.176 . . 298 36 30 PRO C C 176.1 . . 299 36 30 PRO CA C 63.49 . . 300 36 30 PRO CB C 32.39 . . 301 36 30 PRO CD C 50.12 . . 302 37 31 MET H H 9.162 . . 303 37 31 MET HA H 4.497 . . 304 37 31 MET HB2 H 1.504 . . 305 37 31 MET HB3 H 1.836 . . 306 37 31 MET HG2 H 1.419 . . 307 37 31 MET HG3 H 2.505 . . 308 37 31 MET C C 173.4 . . 309 37 31 MET CA C 55.70 . . 310 37 31 MET CB C 35.10 . . 311 37 31 MET CG C 32.11 . . 312 37 31 MET N N 124.6 . . 313 38 32 LYS H H 8.910 . . 314 38 32 LYS HA H 4.274 . . 315 38 32 LYS HB2 H 1.360 . . 316 38 32 LYS HB3 H 1.348 . . 317 38 32 LYS HD2 H 1.521 . . 318 38 32 LYS HE2 H 2.854 . . 319 38 32 LYS C C 174.3 . . 320 38 32 LYS CA C 57.24 . . 321 38 32 LYS CB C 34.68 . . 322 38 32 LYS CD C 29.34 . . 323 38 32 LYS CE C 41.70 . . 324 38 32 LYS N N 123.9 . . 325 39 33 GLU H H 7.415 . . 326 39 33 GLU HA H 4.412 . . 327 39 33 GLU HB2 H 2.047 . . 328 39 33 GLU HB3 H 1.856 . . 329 39 33 GLU HG2 H 1.869 . . 330 39 33 GLU C C 171.2 . . 331 39 33 GLU CA C 56.41 . . 332 39 33 GLU CB C 33.48 . . 333 39 33 GLU CG C 36.36 . . 334 39 33 GLU N N 115.0 . . 335 40 34 VAL H H 8.322 . . 336 40 34 VAL HA H 4.509 . . 337 40 34 VAL HB H 1.835 . . 338 40 34 VAL HG1 H 0.6810 . . 339 40 34 VAL HG2 H 0.8173 . . 340 40 34 VAL C C 172.5 . . 341 40 34 VAL CA C 61.63 . . 342 40 34 VAL CB C 34.71 . . 343 40 34 VAL N N 124.2 . . 344 41 35 LYS H H 9.084 . . 345 41 35 LYS HA H 4.658 . . 346 41 35 LYS HB2 H 1.855 . . 347 41 35 LYS HD2 H 1.642 . . 348 41 35 LYS HE2 H 2.902 . . 349 41 35 LYS HE3 H 2.856 . . 350 41 35 LYS HG2 H 1.349 . . 351 41 35 LYS HG3 H 1.316 . . 352 41 35 LYS C C 172.2 . . 353 41 35 LYS CA C 54.34 . . 354 41 35 LYS CB C 35.59 . . 355 41 35 LYS CD C 29.29 . . 356 41 35 LYS CE C 42.20 . . 357 41 35 LYS N N 128.0 . . 358 42 36 ILE H H 8.837 . . 359 42 36 ILE HA H 3.914 . . 360 42 36 ILE HB H 1.626 . . 361 42 36 ILE HD1 H 0.516 . . 362 42 36 ILE HG12 H 1.325 . . 363 42 36 ILE HG13 H 0.3867 . . 364 42 36 ILE HG2 H 0.6835 . . 365 42 36 ILE C C 173.5 . . 366 42 36 ILE CA C 61.97 . . 367 42 36 ILE CB C 38.68 . . 368 42 36 ILE CD1 C 13.86 . . 369 42 36 ILE CG1 C 28.55 . . 370 42 36 ILE CG2 C 17.47 . . 371 42 36 ILE N N 126.6 . . 372 43 37 LEU H H 8.253 . . 373 43 37 LEU HA H 4.572 . . 374 43 37 LEU HB2 H 0.2780 . . 375 43 37 LEU HB3 H 1.249 . . 376 43 37 LEU HD1 H 0.915 . . 377 43 37 LEU HD2 H 0.915 . . 378 43 37 LEU HG H 1.438 . . 379 43 37 LEU C C 172.8 . . 380 43 37 LEU CA C 53.82 . . 381 43 37 LEU CB C 40.35 . . 382 43 37 LEU CD1 C 25.14 . . 383 43 37 LEU CD2 C 25.12 . . 384 43 37 LEU CG C 27.95 . . 385 43 37 LEU N N 132.2 . . 386 44 38 ASN H H 7.639 . . 387 44 38 ASN HA H 4.679 . . 388 44 38 ASN HB2 H 2.652 . . 389 44 38 ASN HB3 H 2.772 . . 390 44 38 ASN HD21 H 6.866 . . 391 44 38 ASN HD22 H 7.574 . . 392 44 38 ASN C C 172.1 . . 393 44 38 ASN CA C 53.02 . . 394 44 38 ASN CB C 36.92 . . 395 44 38 ASN N N 117.6 . . 396 44 38 ASN ND2 N 112.2 . . 397 45 39 GLY H H 8.730 . . 398 45 39 GLY HA2 H 4.155 . . 399 45 39 GLY HA3 H 4.348 . . 400 45 39 GLY C C 172.6 . . 401 45 39 GLY CA C 45.27 . . 402 45 39 GLY N N 111.3 . . 403 46 40 PHE H H 7.350 . . 404 46 40 PHE HA H 5.186 . . 405 46 40 PHE HB2 H 3.054 . . 406 46 40 PHE HB3 H 2.871 . . 407 46 40 PHE HD1 H 6.772 . . 408 46 40 PHE HE1 H 7.283 . . 409 46 40 PHE HZ H 7.365 . . 410 46 40 PHE C C 169.1 . . 411 46 40 PHE CA C 55.09 . . 412 46 40 PHE CB C 41.45 . . 413 46 40 PHE N N 116.5 . . 414 47 41 ALA H H 9.429 . . 415 47 41 ALA HA H 5.126 . . 416 47 41 ALA HB H 0.9276 . . 417 47 41 ALA C C 172.9 . . 418 47 41 ALA CA C 50.35 . . 419 47 41 ALA CB C 24.79 . . 420 47 41 ALA N N 120.6 . . 421 48 42 PHE H H 8.850 . . 422 48 42 PHE HA H 5.896 . . 423 48 42 PHE HB2 H 2.834 . . 424 48 42 PHE HB3 H 2.671 . . 425 48 42 PHE HD1 H 7.217 . . 426 48 42 PHE HE1 H 7.442 . . 427 48 42 PHE HZ H 6.763 . . 428 48 42 PHE C C 173.5 . . 429 48 42 PHE CA C 56.28 . . 430 48 42 PHE CB C 42.44 . . 431 48 42 PHE N N 115.7 . . 432 49 43 VAL H H 8.542 . . 433 49 43 VAL HA H 4.314 . . 434 49 43 VAL HB H 1.237 . . 435 49 43 VAL HG1 H 0.02510 . . 436 49 43 VAL HG2 H 0.1291 . . 437 49 43 VAL C C 171.6 . . 438 49 43 VAL CA C 60.49 . . 439 49 43 VAL CB C 35.16 . . 440 49 43 VAL CG1 C 20.34 . . 441 49 43 VAL CG2 C 19.87 . . 442 49 43 VAL N N 120.7 . . 443 50 44 GLU H H 9.013 . . 444 50 44 GLU HA H 5.374 . . 445 50 44 GLU HB2 H 1.854 . . 446 50 44 GLU HB3 H 1.892 . . 447 50 44 GLU HG2 H 2.161 . . 448 50 44 GLU HG3 H 2.024 . . 449 50 44 GLU C C 174.0 . . 450 50 44 GLU CA C 54.01 . . 451 50 44 GLU N N 126.6 . . 452 51 45 PHE H H 8.553 . . 453 51 45 PHE HA H 4.679 . . 454 51 45 PHE HB2 H 3.755 . . 455 51 45 PHE HB3 H 2.669 . . 456 51 45 PHE HD1 H 7.080 . . 457 51 45 PHE C C 172.9 . . 458 51 45 PHE CA C 59.26 . . 459 51 45 PHE N N 127.1 . . 460 52 46 GLU H H 8.129 . . 461 52 46 GLU HA H 4.056 . . 462 52 46 GLU HB2 H 1.907 . . 463 52 46 GLU HB3 H 2.025 . . 464 52 46 GLU HG2 H 2.165 . . 465 52 46 GLU HG3 H 2.319 . . 466 52 46 GLU C C 174.9 . . 467 52 46 GLU CA C 59.47 . . 468 52 46 GLU CB C 30.79 . . 469 52 46 GLU N N 117.7 . . 470 53 47 GLU H H 8.598 . . 471 53 47 GLU HA H 4.746 . . 472 53 47 GLU HB2 H 2.318 . . 473 53 47 GLU HB3 H 1.994 . . 474 53 47 GLU HG2 H 2.349 . . 475 53 47 GLU C C 175.0 . . 476 53 47 GLU CA C 54.23 . . 477 53 47 GLU CG C 36.18 . . 478 53 47 GLU N N 114.5 . . 479 54 48 ALA H H 8.936 . . 480 54 48 ALA HA H 4.150 . . 481 54 48 ALA HB H 1.360 . . 482 54 48 ALA C C 178.9 . . 483 54 48 ALA CA C 54.86 . . 484 54 48 ALA CB C 18.46 . . 485 54 48 ALA N N 126.9 . . 486 55 49 GLU H H 9.427 . . 487 55 49 GLU HA H 4.058 . . 488 55 49 GLU HB2 H 1.994 . . 489 55 49 GLU HB3 H 2.123 . . 490 55 49 GLU HG2 H 2.309 . . 491 55 49 GLU HG3 H 2.370 . . 492 55 49 GLU C C 177.1 . . 493 55 49 GLU CA C 60.18 . . 494 55 49 GLU CB C 29.30 . . 495 55 49 GLU N N 118.9 . . 496 56 50 SER H H 7.090 . . 497 56 50 SER HA H 4.018 . . 498 56 50 SER HB2 H 2.842 . . 499 56 50 SER HB3 H 3.608 . . 500 56 50 SER C C 171.9 . . 501 56 50 SER CA C 61.84 . . 502 56 50 SER CB C 62.94 . . 503 56 50 SER N N 114.4 . . 504 57 51 ALA H H 6.681 . . 505 57 51 ALA HA H 3.636 . . 506 57 51 ALA HB H 1.642 . . 507 57 51 ALA C C 175.9 . . 508 57 51 ALA CA C 54.97 . . 509 57 51 ALA CB C 18.12 . . 510 57 51 ALA N N 121.6 . . 511 58 52 ALA H H 7.742 . . 512 58 52 ALA HA H 4.008 . . 513 58 52 ALA HB H 1.449 . . 514 58 52 ALA C C 172.3 . . 515 58 52 ALA CA C 54.85 . . 516 58 52 ALA CB C 18.10 . . 517 58 52 ALA N N 117.7 . . 518 59 53 LYS H H 7.558 . . 519 59 53 LYS HA H 3.969 . . 520 59 53 LYS HB2 H 1.912 . . 521 59 53 LYS HD2 H 1.627 . . 522 59 53 LYS HE2 H 3.010 . . 523 59 53 LYS HG2 H 1.453 . . 524 59 53 LYS C C 175.4 . . 525 59 53 LYS CA C 58.21 . . 526 59 53 LYS CB C 32.18 . . 527 59 53 LYS N N 119.3 . . 528 60 54 ALA H H 7.633 . . 529 60 54 ALA HA H 2.531 . . 530 60 54 ALA HB H 1.153 . . 531 60 54 ALA C C 177.7 . . 532 60 54 ALA CA C 54.40 . . 533 60 54 ALA CB C 18.84 . . 534 60 54 ALA N N 121.2 . . 535 61 55 ILE H H 7.666 . . 536 61 55 ILE HA H 3.304 . . 537 61 55 ILE HB H 1.532 . . 538 61 55 ILE HD1 H -0.090 . . 539 61 55 ILE HG12 H 1.352 . . 540 61 55 ILE HG13 H 0.4628 . . 541 61 55 ILE HG2 H 0.7373 . . 542 61 55 ILE C C 176.1 . . 543 61 55 ILE CA C 66.43 . . 544 61 55 ILE CB C 38.53 . . 545 61 55 ILE CD1 C 13.04 . . 546 61 55 ILE CG1 C 29.51 . . 547 61 55 ILE CG2 C 17.01 . . 548 61 55 ILE N N 117.4 . . 549 62 56 GLU H H 7.181 . . 550 62 56 GLU HA H 3.929 . . 551 62 56 GLU HB2 H 2.128 . . 552 62 56 GLU HG2 H 2.234 . . 553 62 56 GLU HG3 H 2.359 . . 554 62 56 GLU C C 176.9 . . 555 62 56 GLU CA C 59.31 . . 556 62 56 GLU CG C 36.26 . . 557 62 56 GLU N N 117.2 . . 558 63 57 GLU H H 7.938 . . 559 63 57 GLU HA H 4.384 . . 560 63 57 GLU HB2 H 1.913 . . 561 63 57 GLU HB3 H 2.213 . . 562 63 57 GLU HG2 H 2.328 . . 563 63 57 GLU HG3 H 2.435 . . 564 63 57 GLU C C 175.8 . . 565 63 57 GLU CA C 57.77 . . 566 63 57 GLU N N 114.4 . . 567 64 58 VAL H H 8.594 . . 568 64 58 VAL HA H 3.924 . . 569 64 58 VAL HB H 1.974 . . 570 64 58 VAL HG1 H 0.7170 . . 571 64 58 VAL HG2 H 0.7820 . . 572 64 58 VAL C C 173.8 . . 573 64 58 VAL CA C 63.62 . . 574 64 58 VAL N N 118.3 . . 575 65 59 HIS H H 7.523 . . 576 65 59 HIS HA H 4.129 . . 577 65 59 HIS HB2 H 3.208 . . 578 65 59 HIS HB3 H 3.280 . . 579 65 59 HIS C C 175.7 . . 580 65 59 HIS CA C 60.41 . . 581 65 59 HIS CB C 31.52 . . 582 65 59 HIS N N 118.3 . . 583 66 60 GLY H H 8.818 . . 584 66 60 GLY HA2 H 3.275 . . 585 66 60 GLY HA3 H 4.103 . . 586 66 60 GLY C C 172.4 . . 587 66 60 GLY CA C 45.13 . . 588 66 60 GLY N N 116.9 . . 589 67 61 LYS H H 8.335 . . 590 67 61 LYS HA H 4.225 . . 591 67 61 LYS HB2 H 2.032 . . 592 67 61 LYS HB3 H 2.036 . . 593 67 61 LYS HD2 H 1.646 . . 594 67 61 LYS HE2 H 3.076 . . 595 67 61 LYS HG2 H 1.371 . . 596 67 61 LYS C C 174.0 . . 597 67 61 LYS CA C 56.52 . . 598 67 61 LYS CD C 28.88 . . 599 67 61 LYS CE C 42.35 . . 600 67 61 LYS CG C 25.34 . . 601 67 61 LYS N N 122.9 . . 602 68 62 SER H H 8.411 . . 603 68 62 SER HA H 4.684 . . 604 68 62 SER HB2 H 3.507 . . 605 68 62 SER HB3 H 3.591 . . 606 68 62 SER C C 172.9 . . 607 68 62 SER CA C 58.71 . . 608 68 62 SER CB C 64.31 . . 609 68 62 SER N N 116.8 . . 610 69 63 PHE H H 9.062 . . 611 69 63 PHE HA H 4.419 . . 612 69 63 PHE HB2 H 2.898 . . 613 69 63 PHE HB3 H 2.800 . . 614 69 63 PHE HD1 H 7.356 . . 615 69 63 PHE HE1 H 6.670 . . 616 69 63 PHE HZ H 6.448 . . 617 69 63 PHE C C 173.5 . . 618 69 63 PHE CA C 58.55 . . 619 69 63 PHE CB C 42.53 . . 620 69 63 PHE N N 126.4 . . 621 70 64 ALA H H 8.837 . . 622 70 64 ALA HA H 3.690 . . 623 70 64 ALA HB H 1.234 . . 624 70 64 ALA C C 174.5 . . 625 70 64 ALA CA C 53.40 . . 626 70 64 ALA CB C 16.36 . . 627 70 64 ALA N N 133.4 . . 628 71 65 ASN H H 8.491 . . 629 71 65 ASN HA H 4.029 . . 630 71 65 ASN HB2 H 2.914 . . 631 71 65 ASN HB3 H 3.021 . . 632 71 65 ASN HD21 H 6.801 . . 633 71 65 ASN HD22 H 7.447 . . 634 71 65 ASN C C 172.1 . . 635 71 65 ASN CA C 54.69 . . 636 71 65 ASN CB C 38.01 . . 637 71 65 ASN N N 107.6 . . 638 71 65 ASN ND2 N 113.3 . . 639 72 66 GLN H H 7.694 . . 640 72 66 GLN HA H 4.870 . . 641 72 66 GLN HB2 H 1.875 . . 642 72 66 GLN HE21 H 6.789 . . 643 72 66 GLN HE22 H 7.579 . . 644 72 66 GLN HG2 H 2.267 . . 645 72 66 GLN HG3 H 2.320 . . 646 72 66 GLN CA C 52.82 . . 647 72 66 GLN CB C 31.00 . . 648 72 66 GLN CG C 33.39 . . 649 72 66 GLN N N 118.0 . . 650 72 66 GLN NE2 N 112.1 . . 651 73 67 PRO HA H 4.154 . . 652 73 67 PRO HB2 H 1.781 . . 653 73 67 PRO HB3 H 1.886 . . 654 73 67 PRO HD2 H 3.586 . . 655 73 67 PRO HD3 H 3.503 . . 656 73 67 PRO C C 174.5 . . 657 73 67 PRO CA C 62.02 . . 658 73 67 PRO CB C 31.50 . . 659 74 68 LEU H H 8.601 . . 660 74 68 LEU HA H 4.423 . . 661 74 68 LEU HB2 H 1.888 . . 662 74 68 LEU HB3 H 1.930 . . 663 74 68 LEU HD1 H 0.544 . . 664 74 68 LEU HD2 H 0.175 . . 665 74 68 LEU HG H 1.776 . . 666 74 68 LEU C C 176.1 . . 667 74 68 LEU CA C 54.71 . . 668 74 68 LEU CB C 43.43 . . 669 74 68 LEU CD1 C 25.38 . . 670 74 68 LEU CD2 C 23.33 . . 671 74 68 LEU CG C 26.25 . . 672 74 68 LEU N N 122.8 . . 673 75 69 GLU H H 9.527 . . 674 75 69 GLU HA H 4.938 . . 675 75 69 GLU HB2 H 1.920 . . 676 75 69 GLU HG2 H 2.228 . . 677 75 69 GLU HG3 H 2.139 . . 678 75 69 GLU C C 173.6 . . 679 75 69 GLU CA C 54.61 . . 680 75 69 GLU CB C 31.00 . . 681 75 69 GLU N N 124.9 . . 682 76 70 VAL H H 8.598 . . 683 76 70 VAL HA H 4.604 . . 684 76 70 VAL HB H 2.210 . . 685 76 70 VAL HG1 H 0.8353 . . 686 76 70 VAL HG2 H 0.9510 . . 687 76 70 VAL C C 177.3 . . 688 76 70 VAL CB C 33.75 . . 689 76 70 VAL CG1 C 24.37 . . 690 76 70 VAL CG2 C 23.57 . . 691 76 70 VAL N N 124.0 . . 692 77 71 VAL H H 8.127 . . 693 77 71 VAL HA H 4.680 . . 694 77 71 VAL HB H 2.380 . . 695 77 71 VAL HG1 H 0.8796 . . 696 77 71 VAL HG2 H 0.9995 . . 697 77 71 VAL C C 173.6 . . 698 77 71 VAL CA C 57.78 . . 699 77 71 VAL CB C 36.46 . . 700 77 71 VAL CG2 C 21.43 . . 701 77 71 VAL N N 116.5 . . 702 78 72 TYR H H 8.184 . . 703 78 72 TYR HA H 4.727 . . 704 78 72 TYR HB2 H 2.676 . . 705 78 72 TYR HB3 H 3.509 . . 706 78 72 TYR HD1 H 7.074 . . 707 78 72 TYR HE1 H 6.554 . . 708 78 72 TYR C C 174.9 . . 709 78 72 TYR CA C 60.27 . . 710 78 72 TYR CB C 39.25 . . 711 78 72 TYR N N 119.9 . . 712 79 73 SER H H 8.946 . . 713 79 73 SER HA H 4.470 . . 714 79 73 SER HB2 H 3.963 . . 715 79 73 SER HB3 H 3.734 . . 716 79 73 SER C C 171.9 . . 717 79 73 SER CA C 57.94 . . 718 79 73 SER CB C 65.13 . . 719 79 73 SER N N 115.7 . . 720 80 74 LYS H H 8.329 . . 721 80 74 LYS HA H 4.523 . . 722 80 74 LYS HB2 H 1.626 . . 723 80 74 LYS HB3 H 1.777 . . 724 80 74 LYS HE2 H 2.904 . . 725 80 74 LYS HG2 H 1.604 . . 726 80 74 LYS HG3 H 1.369 . . 727 80 74 LYS C C 175.3 . . 728 80 74 LYS CA C 56.36 . . 729 80 74 LYS CB C 33.70 . . 730 80 74 LYS CG C 25.35 . . 731 80 74 LYS N N 122.9 . . stop_ save_