data_7382 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of RRM-2 of Yeast NPL3 Protein ; _BMRB_accession_number 7382 _BMRB_flat_file_name bmr7382.str _Entry_type original _Submission_date 2007-03-21 _Accession_date 2007-04-20 _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 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" 491 "13C chemical shifts" 317 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-07 update BMRB 'delete the outliers of 0.000 of the aromatic hydrogen atoms HD1, HD2, HE1, HE2, HZ' 2008-05-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the yeast SR protein Npl3 and Interaction with mRNA 3'-end processing signals' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _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 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 136 _Page_last 150 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Nucleolar_protein_3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Nucleolar_protein_3 $Nucleolar_protein_3 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_Nucleolar_protein_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nucleolar_protein_3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; KLPAKRYRITMKNLPEGCSW QDLKDLARENSLETTFSSVN TRDFDGTGALEFPSEEILVE ALERLNNIEFRGSVITVERD DNPPPIR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 80 LYS 2 81 LEU 3 82 PRO 4 83 ALA 5 84 LYS 6 85 ARG 7 86 TYR 8 87 ARG 9 88 ILE 10 89 THR 11 90 MET 12 91 LYS 13 92 ASN 14 93 LEU 15 94 PRO 16 95 GLU 17 96 GLY 18 97 CYS 19 98 SER 20 99 TRP 21 100 GLN 22 101 ASP 23 102 LEU 24 103 LYS 25 104 ASP 26 105 LEU 27 106 ALA 28 107 ARG 29 108 GLU 30 109 ASN 31 110 SER 32 111 LEU 33 112 GLU 34 113 THR 35 114 THR 36 115 PHE 37 116 SER 38 117 SER 39 118 VAL 40 119 ASN 41 120 THR 42 121 ARG 43 122 ASP 44 123 PHE 45 124 ASP 46 125 GLY 47 126 THR 48 127 GLY 49 128 ALA 50 129 LEU 51 130 GLU 52 131 PHE 53 132 PRO 54 133 SER 55 134 GLU 56 135 GLU 57 136 ILE 58 137 LEU 59 138 VAL 60 139 GLU 61 140 ALA 62 141 LEU 63 142 GLU 64 143 ARG 65 144 LEU 66 145 ASN 67 146 ASN 68 147 ILE 69 148 GLU 70 149 PHE 71 150 ARG 72 151 GLY 73 152 SER 74 153 VAL 75 154 ILE 76 155 THR 77 156 VAL 78 157 GLU 79 158 ARG 80 159 ASP 81 160 ASP 82 161 ASN 83 162 PRO 84 163 PRO 85 164 PRO 86 165 ILE 87 166 ARG 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 15487 Npl3p_RRM2 100.00 111 100.00 100.00 1.80e-56 PDB 2JVR "Segmental Isotope Labeling Of Npl3p" 100.00 111 100.00 100.00 1.80e-56 PDB 2OSR "Nmr Structure Of Rrm-2 Of Yeast Npl3 Protein" 100.00 87 100.00 100.00 1.76e-55 DBJ GAA22648 "K7_Npl3p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 414 100.00 100.00 2.98e-49 EMBL CAA46817 "nucleolar protein [Saccharomyces cerevisiae]" 100.00 414 100.00 100.00 2.38e-49 EMBL CAA50291 "Mts1p [Saccharomyces cerevisiae]" 100.00 414 100.00 100.00 2.38e-49 EMBL CAY78932 "Npl3p [Saccharomyces cerevisiae EC1118]" 100.00 414 100.00 100.00 2.38e-49 GB AAA34818 "Npl3p [Saccharomyces cerevisiae]" 100.00 414 100.00 100.00 2.38e-49 GB AAB64865 "Npl3p: nucleolar RNA processing and export protein [Saccharomyces cerevisiae]" 100.00 414 100.00 100.00 2.38e-49 GB AHY75384 "Npl3p [Saccharomyces cerevisiae YJM993]" 100.00 414 100.00 100.00 2.38e-49 GB EDN60757 "nuclear shuttling protein [Saccharomyces cerevisiae YJM789]" 100.00 414 100.00 100.00 2.38e-49 GB EDV07905 "nucleolar protein NOP3 [Saccharomyces cerevisiae RM11-1a]" 100.00 414 100.00 100.00 2.38e-49 REF NP_010720 "Npl3p [Saccharomyces cerevisiae S288c]" 100.00 414 100.00 100.00 2.38e-49 REF XP_011105020 "npl3p [Saccharomyces arboricola H-6]" 100.00 415 98.85 100.00 1.09e-48 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 2.38e-49 TPG DAA12270 "TPA: mRNA-binding protein NPL3 [Saccharomyces cerevisiae S288c]" 100.00 414 100.00 100.00 2.38e-49 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 _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nucleolar_protein_3 . mM 'natural abundance' '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_ _Details . save_ save_CYANA_2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'GUNTERT, P. ET AL.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . 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 _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' . . mM 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 _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0 external direct . . . 1.000000000 $citations $citations DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 $citations $citations DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 $citations $citations 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 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 _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 81 2 LEU H H 8.346 0.007 . 2 81 2 LEU HA H 4.396 0.007 . 3 81 2 LEU HB2 H 1.405 0.003 . 4 81 2 LEU HB3 H 1.405 0.003 . 5 81 2 LEU HD1 H 0.763 0.017 . 6 81 2 LEU HD2 H 0.763 0.017 . 7 81 2 LEU HG H 1.385 0.006 . 8 81 2 LEU CA C 53.310 0.078 . 9 81 2 LEU CB C 41.678 0.125 . 10 81 2 LEU CD1 C 22.864 0.000 . 11 81 2 LEU CD2 C 23.266 0.000 . 12 81 2 LEU CG C 27.177 0.141 . 13 81 2 LEU N N 125.005 0.025 . 14 82 3 PRO HA H 4.281 0.011 . 15 82 3 PRO HB2 H 1.760 0.010 . 16 82 3 PRO HB3 H 2.145 0.003 . 17 82 3 PRO HD2 H 3.501 0.007 . 18 82 3 PRO HD3 H 3.655 0.007 . 19 82 3 PRO C C 174.216 0.000 . 20 82 3 PRO CA C 63.027 0.226 . 21 82 3 PRO CB C 32.102 0.127 . 22 82 3 PRO CD C 50.464 0.135 . 23 83 4 ALA H H 8.175 0.005 . 24 83 4 ALA HA H 4.137 0.004 . 25 83 4 ALA HB H 1.258 0.004 . 26 83 4 ALA C C 175.592 0.000 . 27 83 4 ALA CA C 52.331 0.089 . 28 83 4 ALA CB C 19.527 0.144 . 29 83 4 ALA N N 124.527 0.017 . 30 84 5 LYS H H 8.046 0.007 . 31 84 5 LYS HA H 4.058 0.010 . 32 84 5 LYS HB2 H 1.498 0.013 . 33 84 5 LYS HB3 H 1.461 0.007 . 34 84 5 LYS HD2 H 1.580 0.035 . 35 84 5 LYS HD3 H 1.580 0.035 . 36 84 5 LYS HE2 H 2.900 0.007 . 37 84 5 LYS HE3 H 2.900 0.007 . 38 84 5 LYS HG2 H 1.163 0.012 . 39 84 5 LYS HG3 H 1.163 0.012 . 40 84 5 LYS C C 173.120 0.000 . 41 84 5 LYS CA C 55.903 0.132 . 42 84 5 LYS CB C 33.271 0.159 . 43 84 5 LYS CD C 29.189 0.191 . 44 84 5 LYS CE C 42.063 0.050 . 45 84 5 LYS CG C 24.740 0.131 . 46 84 5 LYS N N 120.857 0.027 . 47 85 6 ARG H H 7.884 0.007 . 48 85 6 ARG HA H 4.176 0.015 . 49 85 6 ARG HB2 H 1.298 0.006 . 50 85 6 ARG HB3 H 1.453 0.014 . 51 85 6 ARG HD2 H 2.973 0.004 . 52 85 6 ARG HD3 H 2.973 0.004 . 53 85 6 ARG HG2 H 1.602 0.015 . 54 85 6 ARG HG3 H 1.602 0.015 . 55 85 6 ARG C C 172.632 0.000 . 56 85 6 ARG CA C 54.285 0.135 . 57 85 6 ARG CB C 32.612 0.081 . 58 85 6 ARG CD C 43.257 0.000 . 59 85 6 ARG CG C 25.205 0.153 . 60 85 6 ARG N N 121.373 0.012 . 61 86 7 TYR H H 8.568 0.007 . 62 86 7 TYR HA H 4.592 0.010 . 63 86 7 TYR HB2 H 2.881 0.008 . 64 86 7 TYR HB3 H 3.199 0.004 . 65 86 7 TYR HD1 H 6.972 0.006 . 66 86 7 TYR HD2 H 6.972 0.006 . 67 86 7 TYR HE1 H 6.747 0.004 . 68 86 7 TYR HE2 H 6.747 0.004 . 69 86 7 TYR C C 171.766 0.000 . 70 86 7 TYR CA C 57.125 0.000 . 71 86 7 TYR CB C 37.581 0.189 . 72 86 7 TYR N N 123.411 0.032 . 73 87 8 ARG H H 8.859 0.011 . 74 87 8 ARG HA H 5.460 0.007 . 75 87 8 ARG HB2 H 1.893 0.013 . 76 87 8 ARG HB3 H 1.943 0.016 . 77 87 8 ARG HD2 H 3.198 0.008 . 78 87 8 ARG HD3 H 2.864 0.014 . 79 87 8 ARG HG2 H 1.638 0.001 . 80 87 8 ARG HG3 H 1.638 0.001 . 81 87 8 ARG C C 172.837 0.000 . 82 87 8 ARG CA C 54.762 0.115 . 83 87 8 ARG CB C 35.613 0.032 . 84 87 8 ARG CD C 43.628 0.157 . 85 87 8 ARG CG C 28.929 0.000 . 86 87 8 ARG N N 126.643 0.023 . 87 88 9 ILE H H 9.092 0.010 . 88 88 9 ILE HA H 5.231 0.004 . 89 88 9 ILE HB H 1.892 0.013 . 90 88 9 ILE HD1 H 0.873 0.006 . 91 88 9 ILE HG12 H 1.377 0.010 . 92 88 9 ILE HG13 H 1.382 0.000 . 93 88 9 ILE HG2 H 0.883 0.009 . 94 88 9 ILE C C 172.680 0.000 . 95 88 9 ILE CA C 59.159 0.132 . 96 88 9 ILE CB C 41.311 0.231 . 97 88 9 ILE CD1 C 14.054 0.037 . 98 88 9 ILE CG1 C 25.538 0.205 . 99 88 9 ILE CG2 C 18.512 0.000 . 100 88 9 ILE N N 118.226 0.075 . 101 89 10 THR H H 9.130 0.006 . 102 89 10 THR HA H 4.891 0.010 . 103 89 10 THR HB H 4.029 0.005 . 104 89 10 THR HG2 H 1.203 0.009 . 105 89 10 THR C C 171.859 0.000 . 106 89 10 THR CA C 61.125 0.079 . 107 89 10 THR CB C 70.273 0.164 . 108 89 10 THR CG2 C 22.350 0.207 . 109 89 10 THR N N 117.778 0.029 . 110 90 11 MET H H 8.657 0.006 . 111 90 11 MET HA H 5.223 0.006 . 112 90 11 MET HB2 H 1.932 0.016 . 113 90 11 MET HB3 H 1.537 0.010 . 114 90 11 MET HG2 H 2.294 0.019 . 115 90 11 MET HG3 H 2.239 0.005 . 116 90 11 MET C C 172.361 0.000 . 117 90 11 MET CA C 54.019 0.157 . 118 90 11 MET CB C 36.055 0.120 . 119 90 11 MET CG C 31.846 0.157 . 120 90 11 MET N N 123.697 0.026 . 121 91 12 LYS H H 8.936 0.005 . 122 91 12 LYS HA H 4.830 0.012 . 123 91 12 LYS HB2 H 1.751 0.014 . 124 91 12 LYS HB3 H 1.751 0.014 . 125 91 12 LYS HD2 H 1.547 0.005 . 126 91 12 LYS HD3 H 1.547 0.005 . 127 91 12 LYS HE2 H 2.787 0.002 . 128 91 12 LYS HE3 H 2.787 0.002 . 129 91 12 LYS HG2 H 1.258 0.010 . 130 91 12 LYS HG3 H 1.258 0.010 . 131 91 12 LYS C C 173.177 0.000 . 132 91 12 LYS CA C 55.167 0.186 . 133 91 12 LYS CB C 36.107 0.136 . 134 91 12 LYS CG C 25.756 0.108 . 135 91 12 LYS N N 120.844 0.018 . 136 92 13 ASN H H 8.412 0.005 . 137 92 13 ASN HA H 4.323 0.009 . 138 92 13 ASN HB2 H 2.774 0.007 . 139 92 13 ASN HB3 H 3.552 0.012 . 140 92 13 ASN HD21 H 7.886 0.009 . 141 92 13 ASN HD22 H 6.712 0.004 . 142 92 13 ASN C C 172.963 0.000 . 143 92 13 ASN CA C 53.942 0.121 . 144 92 13 ASN CB C 38.359 0.129 . 145 92 13 ASN N N 115.814 0.026 . 146 92 13 ASN ND2 N 113.131 0.115 . 147 93 14 LEU H H 9.064 0.008 . 148 93 14 LEU HA H 4.229 0.011 . 149 93 14 LEU HB2 H 1.369 0.010 . 150 93 14 LEU HB3 H 1.468 0.010 . 151 93 14 LEU HD1 H 0.931 0.013 . 152 93 14 LEU HD2 H 0.790 0.013 . 153 93 14 LEU HG H 1.675 0.010 . 154 93 14 LEU CA C 53.603 0.090 . 155 93 14 LEU CB C 41.044 0.095 . 156 93 14 LEU CD1 C 22.656 0.163 . 157 93 14 LEU CD2 C 23.017 0.000 . 158 93 14 LEU CG C 27.356 0.175 . 159 93 14 LEU N N 116.688 0.022 . 160 94 15 PRO HA H 4.449 0.008 . 161 94 15 PRO HB2 H 2.145 0.007 . 162 94 15 PRO HB3 H 2.145 0.007 . 163 94 15 PRO HD2 H 3.531 0.038 . 164 94 15 PRO HD3 H 3.531 0.038 . 165 94 15 PRO HG2 H 1.785 0.007 . 166 94 15 PRO HG3 H 1.631 0.000 . 167 94 15 PRO C C 174.437 0.000 . 168 94 15 PRO CA C 62.134 0.059 . 169 94 15 PRO CB C 32.038 0.161 . 170 94 15 PRO CD C 50.294 0.000 . 171 94 15 PRO CG C 27.129 0.180 . 172 95 16 GLU H H 8.458 0.007 . 173 95 16 GLU HA H 3.641 0.004 . 174 95 16 GLU HB2 H 1.812 0.011 . 175 95 16 GLU HB3 H 1.812 0.011 . 176 95 16 GLU HG2 H 2.110 0.020 . 177 95 16 GLU HG3 H 2.110 0.020 . 178 95 16 GLU C C 175.862 0.000 . 179 95 16 GLU CA C 58.061 0.088 . 180 95 16 GLU CB C 29.477 0.190 . 181 95 16 GLU CG C 36.123 0.099 . 182 95 16 GLU N N 120.799 0.013 . 183 96 17 GLY H H 8.401 0.009 . 184 96 17 GLY HA2 H 3.530 0.006 . 185 96 17 GLY HA3 H 4.067 0.006 . 186 96 17 GLY C C 178.844 0.000 . 187 96 17 GLY CA C 45.298 0.071 . 188 96 17 GLY N N 112.622 0.023 . 189 97 18 CYS H H 7.555 0.005 . 190 97 18 CYS HA H 4.437 0.009 . 191 97 18 CYS HB2 H 2.867 0.008 . 192 97 18 CYS HB3 H 2.983 0.006 . 193 97 18 CYS C C 171.266 0.000 . 194 97 18 CYS CA C 59.928 0.140 . 195 97 18 CYS CB C 28.130 0.131 . 196 97 18 CYS N N 119.481 0.081 . 197 98 19 SER H H 9.503 0.005 . 198 98 19 SER HA H 5.057 0.007 . 199 98 19 SER HB2 H 4.187 0.012 . 200 98 19 SER HB3 H 3.828 0.006 . 201 98 19 SER C C 174.349 0.000 . 202 98 19 SER CA C 56.109 0.122 . 203 98 19 SER CB C 67.799 0.171 . 204 98 19 SER N N 123.006 0.030 . 205 99 20 TRP H H 8.880 0.006 . 206 99 20 TRP HA H 4.049 0.011 . 207 99 20 TRP HB2 H 3.109 0.004 . 208 99 20 TRP HB3 H 3.400 0.006 . 209 99 20 TRP HD1 H 7.548 0.002 . 210 99 20 TRP HE1 H 10.265 0.001 . 211 99 20 TRP HE3 H 7.438 0.000 . 212 99 20 TRP HZ2 H 7.166 0.014 . 213 99 20 TRP C C 177.329 0.000 . 214 99 20 TRP CA C 60.294 0.050 . 215 99 20 TRP CB C 27.497 0.090 . 216 99 20 TRP N N 120.100 0.027 . 217 99 20 TRP NE1 N 130.538 0.005 . 218 100 21 GLN H H 7.440 0.007 . 219 100 21 GLN HA H 3.258 0.005 . 220 100 21 GLN HB2 H 1.052 0.022 . 221 100 21 GLN HB3 H 1.395 0.013 . 222 100 21 GLN HE21 H 7.262 0.005 . 223 100 21 GLN HE22 H 6.464 0.004 . 224 100 21 GLN HG2 H 1.718 0.013 . 225 100 21 GLN HG3 H 1.090 0.007 . 226 100 21 GLN C C 175.560 0.000 . 227 100 21 GLN CA C 59.272 0.164 . 228 100 21 GLN CB C 27.305 0.157 . 229 100 21 GLN CG C 32.937 0.134 . 230 100 21 GLN N N 125.313 0.019 . 231 100 21 GLN NE2 N 112.369 0.086 . 232 101 22 ASP H H 7.578 0.004 . 233 101 22 ASP HA H 4.333 0.011 . 234 101 22 ASP HB2 H 2.677 0.012 . 235 101 22 ASP HB3 H 3.326 0.010 . 236 101 22 ASP C C 177.101 0.000 . 237 101 22 ASP CA C 57.458 0.124 . 238 101 22 ASP CB C 41.496 0.111 . 239 101 22 ASP N N 120.022 0.037 . 240 102 23 LEU H H 7.280 0.006 . 241 102 23 LEU HA H 3.870 0.012 . 242 102 23 LEU HB2 H 1.385 0.004 . 243 102 23 LEU HB3 H 1.863 0.016 . 244 102 23 LEU HD1 H 0.698 0.004 . 245 102 23 LEU HD2 H 0.858 0.012 . 246 102 23 LEU HG H 1.642 0.019 . 247 102 23 LEU C C 176.459 0.000 . 248 102 23 LEU CA C 57.627 0.134 . 249 102 23 LEU CB C 41.920 0.120 . 250 102 23 LEU CD1 C 23.697 0.000 . 251 102 23 LEU CG C 27.130 0.000 . 252 102 23 LEU N N 117.581 0.015 . 253 103 24 LYS H H 7.394 0.006 . 254 103 24 LYS HA H 3.854 0.014 . 255 103 24 LYS HB2 H 1.902 0.005 . 256 103 24 LYS HB3 H 1.902 0.005 . 257 103 24 LYS HD2 H 1.608 0.013 . 258 103 24 LYS HD3 H 1.608 0.013 . 259 103 24 LYS HE2 H 2.885 0.014 . 260 103 24 LYS HE3 H 2.885 0.014 . 261 103 24 LYS HG2 H 1.386 0.003 . 262 103 24 LYS HG3 H 1.386 0.003 . 263 103 24 LYS C C 177.525 0.000 . 264 103 24 LYS CA C 60.200 0.082 . 265 103 24 LYS CB C 31.967 0.127 . 266 103 24 LYS CD C 29.475 0.000 . 267 103 24 LYS CG C 25.763 0.000 . 268 103 24 LYS N N 119.132 0.024 . 269 104 25 ASP H H 8.329 0.006 . 270 104 25 ASP HA H 4.377 0.008 . 271 104 25 ASP HB2 H 2.700 0.001 . 272 104 25 ASP HB3 H 2.848 0.011 . 273 104 25 ASP C C 175.957 0.000 . 274 104 25 ASP CA C 57.557 0.134 . 275 104 25 ASP CB C 40.159 0.151 . 276 104 25 ASP N N 121.496 0.018 . 277 105 26 LEU H H 7.968 0.006 . 278 105 26 LEU HA H 4.012 0.007 . 279 105 26 LEU HB2 H 1.659 0.010 . 280 105 26 LEU HB3 H 1.119 0.011 . 281 105 26 LEU HD1 H 0.487 0.006 . 282 105 26 LEU HD2 H 0.055 0.008 . 283 105 26 LEU HG H 1.038 0.007 . 284 105 26 LEU C C 177.536 0.000 . 285 105 26 LEU CA C 57.864 0.168 . 286 105 26 LEU CB C 41.481 0.104 . 287 105 26 LEU CD1 C 22.568 0.037 . 288 105 26 LEU CD2 C 24.676 0.000 . 289 105 26 LEU CG C 26.733 0.006 . 290 105 26 LEU N N 123.190 0.081 . 291 106 27 ALA H H 7.998 0.007 . 292 106 27 ALA HA H 3.882 0.004 . 293 106 27 ALA HB H 1.605 0.004 . 294 106 27 ALA C C 177.815 0.000 . 295 106 27 ALA CA C 56.295 0.128 . 296 106 27 ALA CB C 18.145 0.087 . 297 106 27 ALA N N 121.543 0.047 . 298 107 28 ARG H H 8.409 0.003 . 299 107 28 ARG HA H 4.027 0.011 . 300 107 28 ARG HB2 H 2.024 0.008 . 301 107 28 ARG HB3 H 2.087 0.008 . 302 107 28 ARG HD2 H 3.238 0.020 . 303 107 28 ARG HD3 H 3.284 0.009 . 304 107 28 ARG HG2 H 1.616 0.007 . 305 107 28 ARG HG3 H 1.746 0.014 . 306 107 28 ARG C C 179.240 0.000 . 307 107 28 ARG CA C 59.873 0.161 . 308 107 28 ARG CB C 29.945 0.053 . 309 107 28 ARG CD C 43.052 0.052 . 310 107 28 ARG N N 121.084 0.025 . 311 108 29 GLU H H 8.651 0.003 . 312 108 29 GLU HA H 4.086 0.014 . 313 108 29 GLU HB2 H 2.103 0.009 . 314 108 29 GLU HB3 H 2.177 0.003 . 315 108 29 GLU HG2 H 2.344 0.004 . 316 108 29 GLU HG3 H 2.407 0.011 . 317 108 29 GLU C C 175.199 0.000 . 318 108 29 GLU CA C 58.835 0.045 . 319 108 29 GLU CB C 29.668 0.140 . 320 108 29 GLU CG C 36.722 0.151 . 321 108 29 GLU N N 121.414 0.021 . 322 109 30 ASN H H 7.345 0.007 . 323 109 30 ASN HA H 4.723 0.001 . 324 109 30 ASN HB2 H 2.708 0.013 . 325 109 30 ASN HB3 H 2.325 0.006 . 326 109 30 ASN HD21 H 7.453 0.010 . 327 109 30 ASN HD22 H 7.225 0.004 . 328 109 30 ASN C C 170.134 0.000 . 329 109 30 ASN CA C 54.362 0.000 . 330 109 30 ASN CB C 41.122 0.189 . 331 109 30 ASN N N 116.596 0.030 . 332 109 30 ASN ND2 N 114.888 0.027 . 333 110 31 SER H H 8.003 0.003 . 334 110 31 SER HA H 3.997 0.002 . 335 110 31 SER HB2 H 4.076 0.000 . 336 110 31 SER HB3 H 3.932 0.000 . 337 110 31 SER C C 171.264 0.000 . 338 110 31 SER CA C 59.066 0.077 . 339 110 31 SER CB C 61.145 0.000 . 340 110 31 SER N N 110.585 0.017 . 341 111 32 LEU H H 7.913 0.003 . 342 111 32 LEU HA H 4.586 0.009 . 343 111 32 LEU HB2 H 1.759 0.009 . 344 111 32 LEU HB3 H 1.049 0.018 . 345 111 32 LEU HD1 H 0.733 0.007 . 346 111 32 LEU HD2 H 0.634 0.007 . 347 111 32 LEU HG H 1.591 0.010 . 348 111 32 LEU C C 173.495 0.000 . 349 111 32 LEU CA C 52.849 0.000 . 350 111 32 LEU CB C 43.388 0.093 . 351 111 32 LEU CD1 C 23.780 0.000 . 352 111 32 LEU CD2 C 23.771 0.077 . 353 111 32 LEU CG C 24.759 0.005 . 354 111 32 LEU N N 119.180 0.018 . 355 112 33 GLU H H 8.121 0.008 . 356 112 33 GLU HA H 4.293 0.003 . 357 112 33 GLU HB2 H 1.985 0.010 . 358 112 33 GLU HB3 H 1.932 0.006 . 359 112 33 GLU HG2 H 2.168 0.007 . 360 112 33 GLU HG3 H 2.324 0.004 . 361 112 33 GLU C C 172.866 0.000 . 362 112 33 GLU CA C 56.680 0.061 . 363 112 33 GLU CB C 30.804 0.073 . 364 112 33 GLU CG C 36.544 0.266 . 365 112 33 GLU N N 126.158 0.021 . 366 113 34 THR H H 7.904 0.006 . 367 113 34 THR HA H 5.160 0.008 . 368 113 34 THR HB H 4.099 0.027 . 369 113 34 THR HG2 H 1.040 0.010 . 370 113 34 THR C C 173.683 0.000 . 371 113 34 THR CA C 59.092 0.146 . 372 113 34 THR CB C 72.668 0.294 . 373 113 34 THR CG2 C 23.849 0.196 . 374 113 34 THR N N 109.792 0.031 . 375 114 35 THR H H 8.596 0.003 . 376 114 35 THR HA H 4.370 0.006 . 377 114 35 THR HB H 4.128 0.018 . 378 114 35 THR HG2 H 0.945 0.009 . 379 114 35 THR C C 173.517 0.000 . 380 114 35 THR CA C 61.362 0.144 . 381 114 35 THR CB C 68.164 0.135 . 382 114 35 THR CG2 C 23.655 0.161 . 383 114 35 THR N N 111.076 0.031 . 384 115 36 PHE H H 7.304 0.005 . 385 115 36 PHE HA H 4.494 0.008 . 386 115 36 PHE HB2 H 3.171 0.009 . 387 115 36 PHE HB3 H 2.327 0.009 . 388 115 36 PHE HD1 H 6.898 0.015 . 389 115 36 PHE HD2 H 6.898 0.015 . 390 115 36 PHE HE1 H 7.138 0.016 . 391 115 36 PHE HE2 H 7.138 0.016 . 392 115 36 PHE C C 170.543 0.000 . 393 115 36 PHE CA C 58.385 0.074 . 394 115 36 PHE CB C 42.469 0.147 . 395 115 36 PHE N N 121.467 0.033 . 396 116 37 SER H H 6.924 0.005 . 397 116 37 SER HA H 5.013 0.005 . 398 116 37 SER HB2 H 3.746 0.010 . 399 116 37 SER HB3 H 3.672 0.003 . 400 116 37 SER C C 170.238 0.000 . 401 116 37 SER CA C 56.366 0.099 . 402 116 37 SER CB C 66.280 0.100 . 403 116 37 SER N N 118.308 0.027 . 404 117 38 SER H H 8.688 0.006 . 405 117 38 SER HA H 4.497 0.014 . 406 117 38 SER HB2 H 3.569 0.006 . 407 117 38 SER HB3 H 3.748 0.007 . 408 117 38 SER C C 170.006 0.000 . 409 117 38 SER CA C 57.938 0.033 . 410 117 38 SER CB C 65.846 0.180 . 411 117 38 SER N N 115.267 0.031 . 412 118 39 VAL H H 8.306 0.010 . 413 118 39 VAL HA H 4.411 0.003 . 414 118 39 VAL HB H 2.005 0.007 . 415 118 39 VAL HG1 H 0.927 0.004 . 416 118 39 VAL HG2 H 0.854 0.008 . 417 118 39 VAL C C 173.243 0.000 . 418 118 39 VAL CA C 61.824 0.090 . 419 118 39 VAL CB C 36.073 0.128 . 420 118 39 VAL CG1 C 21.491 0.000 . 421 118 39 VAL CG2 C 21.656 0.000 . 422 118 39 VAL N N 118.406 0.066 . 423 119 40 ASN H H 8.378 0.006 . 424 119 40 ASN HA H 4.791 0.014 . 425 119 40 ASN HB2 H 2.733 0.005 . 426 119 40 ASN HB3 H 3.154 0.010 . 427 119 40 ASN HD21 H 7.428 0.004 . 428 119 40 ASN HD22 H 7.242 0.007 . 429 119 40 ASN C C 173.813 0.000 . 430 119 40 ASN CA C 53.298 0.123 . 431 119 40 ASN CB C 37.754 0.109 . 432 119 40 ASN N N 123.671 0.033 . 433 119 40 ASN ND2 N 113.737 0.024 . 434 120 41 THR H H 8.289 0.006 . 435 120 41 THR HA H 4.189 0.016 . 436 120 41 THR HB H 4.404 0.006 . 437 120 41 THR HG2 H 1.298 0.005 . 438 120 41 THR C C 173.063 0.000 . 439 120 41 THR CA C 62.404 0.068 . 440 120 41 THR CB C 68.976 0.120 . 441 120 41 THR CG2 C 22.190 0.167 . 442 120 41 THR N N 116.622 0.035 . 443 121 42 ARG H H 8.181 0.006 . 444 121 42 ARG HA H 4.217 0.005 . 445 121 42 ARG HB2 H 1.821 0.008 . 446 121 42 ARG HB3 H 1.821 0.008 . 447 121 42 ARG HD2 H 3.182 0.006 . 448 121 42 ARG HD3 H 3.182 0.006 . 449 121 42 ARG HG2 H 1.670 0.002 . 450 121 42 ARG HG3 H 1.570 0.006 . 451 121 42 ARG C C 174.333 0.000 . 452 121 42 ARG CA C 57.834 0.098 . 453 121 42 ARG CB C 30.582 0.166 . 454 121 42 ARG CD C 43.174 0.000 . 455 121 42 ARG CG C 28.642 0.032 . 456 121 42 ARG N N 123.437 0.020 . 457 122 43 ASP H H 7.832 0.004 . 458 122 43 ASP HA H 4.605 0.006 . 459 122 43 ASP HB2 H 2.387 0.007 . 460 122 43 ASP HB3 H 2.613 0.007 . 461 122 43 ASP C C 173.104 0.000 . 462 122 43 ASP CA C 53.775 0.022 . 463 122 43 ASP CB C 41.199 0.084 . 464 122 43 ASP N N 118.758 0.152 . 465 123 44 PHE H H 7.831 0.002 . 466 123 44 PHE HA H 4.400 0.006 . 467 123 44 PHE HB2 H 3.109 0.005 . 468 123 44 PHE HB3 H 3.105 0.000 . 469 123 44 PHE HD1 H 7.335 0.007 . 470 123 44 PHE HD2 H 7.335 0.007 . 471 123 44 PHE C C 174.070 0.000 . 472 123 44 PHE CA C 59.726 0.116 . 473 123 44 PHE CB C 38.710 0.134 . 474 123 44 PHE N N 119.039 0.030 . 475 124 45 ASP H H 7.942 0.008 . 476 124 45 ASP HA H 4.395 0.013 . 477 124 45 ASP HB2 H 2.466 0.017 . 478 124 45 ASP HB3 H 2.986 0.006 . 479 124 45 ASP C C 175.252 0.000 . 480 124 45 ASP CB C 41.249 0.072 . 481 124 45 ASP N N 123.170 0.136 . 482 125 46 GLY H H 6.992 0.006 . 483 125 46 GLY HA2 H 3.691 0.008 . 484 125 46 GLY HA3 H 4.133 0.006 . 485 125 46 GLY C C 171.291 0.000 . 486 125 46 GLY CA C 46.419 0.144 . 487 125 46 GLY N N 107.810 0.019 . 488 126 47 THR H H 7.718 0.004 . 489 126 47 THR HA H 5.645 0.005 . 490 126 47 THR HB H 4.251 0.008 . 491 126 47 THR HG2 H 1.151 0.008 . 492 126 47 THR C C 173.511 0.000 . 493 126 47 THR CA C 60.301 0.092 . 494 126 47 THR CB C 72.722 0.290 . 495 126 47 THR CG2 C 21.774 0.172 . 496 126 47 THR N N 109.107 0.016 . 497 127 48 GLY H H 8.495 0.006 . 498 127 48 GLY HA2 H 4.513 0.006 . 499 127 48 GLY HA3 H 3.880 0.005 . 500 127 48 GLY C C 169.621 0.000 . 501 127 48 GLY CA C 45.869 0.146 . 502 127 48 GLY N N 108.037 0.040 . 503 128 49 ALA H H 9.225 0.004 . 504 128 49 ALA HA H 5.343 0.006 . 505 128 49 ALA HB H 1.360 0.016 . 506 128 49 ALA C C 173.268 0.000 . 507 128 49 ALA CA C 52.116 0.072 . 508 128 49 ALA CB C 22.669 0.105 . 509 128 49 ALA N N 123.600 0.024 . 510 129 50 LEU H H 7.883 0.008 . 511 129 50 LEU HA H 4.866 0.005 . 512 129 50 LEU HB2 H 1.346 0.013 . 513 129 50 LEU HB3 H 0.881 0.018 . 514 129 50 LEU HD1 H 0.802 0.010 . 515 129 50 LEU HD2 H 0.802 0.010 . 516 129 50 LEU HG H 1.642 0.006 . 517 129 50 LEU C C 172.955 0.000 . 518 129 50 LEU CA C 53.605 0.000 . 519 129 50 LEU CB C 49.152 0.158 . 520 129 50 LEU N N 117.306 0.022 . 521 130 51 GLU H H 7.922 0.003 . 522 130 51 GLU HA H 5.342 0.011 . 523 130 51 GLU HB2 H 2.094 0.011 . 524 130 51 GLU HB3 H 1.746 0.017 . 525 130 51 GLU HG2 H 2.314 0.015 . 526 130 51 GLU HG3 H 1.983 0.013 . 527 130 51 GLU C C 173.550 0.000 . 528 130 51 GLU CA C 53.905 0.059 . 529 130 51 GLU CB C 32.602 0.187 . 530 130 51 GLU N N 116.564 0.029 . 531 131 52 PHE H H 8.649 0.005 . 532 131 52 PHE HA H 5.297 0.007 . 533 131 52 PHE HB2 H 3.376 0.010 . 534 131 52 PHE HB3 H 2.558 0.015 . 535 131 52 PHE HZ H 8.333 0.000 . 536 131 52 PHE CA C 55.683 0.114 . 537 131 52 PHE CB C 42.151 0.120 . 538 131 52 PHE N N 118.334 0.022 . 539 132 53 PRO HA H 4.565 0.015 . 540 132 53 PRO HB2 H 2.345 0.004 . 541 132 53 PRO HB3 H 2.003 0.006 . 542 132 53 PRO HD2 H 3.209 0.007 . 543 132 53 PRO HD3 H 2.864 0.015 . 544 132 53 PRO HG2 H 2.015 0.005 . 545 132 53 PRO HG3 H 1.893 0.000 . 546 132 53 PRO C C 173.419 0.000 . 547 132 53 PRO CA C 64.059 0.044 . 548 132 53 PRO CB C 32.789 0.172 . 549 132 53 PRO CG C 27.411 0.080 . 550 133 54 SER H H 6.825 0.010 . 551 133 54 SER HA H 4.187 0.010 . 552 133 54 SER HB2 H 4.016 0.006 . 553 133 54 SER HB3 H 3.703 0.008 . 554 133 54 SER C C 170.427 0.000 . 555 133 54 SER CA C 55.687 0.131 . 556 133 54 SER CB C 66.528 0.161 . 557 133 54 SER N N 107.742 0.040 . 558 134 55 GLU H H 7.998 0.006 . 559 134 55 GLU HA H 4.164 0.026 . 560 134 55 GLU HB2 H 1.611 0.011 . 561 134 55 GLU HB3 H 1.835 0.010 . 562 134 55 GLU HG2 H 2.290 0.014 . 563 134 55 GLU HG3 H 2.032 0.023 . 564 134 55 GLU C C 175.211 0.000 . 565 134 55 GLU CA C 58.307 0.186 . 566 134 55 GLU CB C 29.608 0.093 . 567 134 55 GLU N N 122.407 0.043 . 568 135 56 GLU H H 8.483 0.004 . 569 135 56 GLU HA H 3.768 0.007 . 570 135 56 GLU HB2 H 1.806 0.007 . 571 135 56 GLU HB3 H 1.943 0.012 . 572 135 56 GLU HG2 H 2.148 0.011 . 573 135 56 GLU HG3 H 2.321 0.009 . 574 135 56 GLU C C 177.418 0.000 . 575 135 56 GLU CA C 60.505 0.161 . 576 135 56 GLU CB C 29.158 0.154 . 577 135 56 GLU CG C 37.292 0.007 . 578 135 56 GLU N N 117.184 0.014 . 579 136 57 ILE H H 7.256 0.007 . 580 136 57 ILE HA H 3.645 0.007 . 581 136 57 ILE HB H 1.496 0.011 . 582 136 57 ILE HD1 H 0.926 0.007 . 583 136 57 ILE HG12 H 1.120 0.015 . 584 136 57 ILE HG13 H 1.120 0.015 . 585 136 57 ILE HG2 H 1.059 0.009 . 586 136 57 ILE C C 174.511 0.000 . 587 136 57 ILE CA C 64.441 0.092 . 588 136 57 ILE CB C 38.646 0.124 . 589 136 57 ILE CD1 C 14.021 0.165 . 590 136 57 ILE CG1 C 29.600 0.177 . 591 136 57 ILE CG2 C 19.113 0.095 . 592 136 57 ILE N N 119.520 0.046 . 593 137 58 LEU H H 7.115 0.007 . 594 137 58 LEU HA H 3.120 0.007 . 595 137 58 LEU HB2 H 2.126 0.010 . 596 137 58 LEU HB3 H 1.474 0.009 . 597 137 58 LEU HD1 H 0.981 0.009 . 598 137 58 LEU HD2 H 0.916 0.006 . 599 137 58 LEU HG H 0.962 0.023 . 600 137 58 LEU C C 175.598 0.000 . 601 137 58 LEU CA C 59.113 0.126 . 602 137 58 LEU CB C 41.413 0.132 . 603 137 58 LEU CG C 26.609 0.066 . 604 137 58 LEU N N 122.022 0.032 . 605 138 59 VAL H H 8.330 0.008 . 606 138 59 VAL HA H 3.378 0.005 . 607 138 59 VAL HB H 1.999 0.007 . 608 138 59 VAL HG1 H 0.870 0.006 . 609 138 59 VAL HG2 H 0.984 0.004 . 610 138 59 VAL C C 177.234 0.000 . 611 138 59 VAL CA C 67.246 0.171 . 612 138 59 VAL CB C 31.824 0.125 . 613 138 59 VAL CG1 C 21.170 0.143 . 614 138 59 VAL CG2 C 23.137 0.205 . 615 138 59 VAL N N 118.257 0.018 . 616 139 60 GLU H H 7.203 0.005 . 617 139 60 GLU HA H 4.001 0.014 . 618 139 60 GLU HB2 H 2.076 0.015 . 619 139 60 GLU HB3 H 1.785 0.013 . 620 139 60 GLU HG2 H 2.012 0.000 . 621 139 60 GLU HG3 H 2.354 0.007 . 622 139 60 GLU C C 176.704 0.000 . 623 139 60 GLU CA C 59.138 0.050 . 624 139 60 GLU CB C 29.381 0.234 . 625 139 60 GLU N N 120.326 0.038 . 626 140 61 ALA H H 8.437 0.005 . 627 140 61 ALA HA H 3.605 0.006 . 628 140 61 ALA HB H 0.893 0.006 . 629 140 61 ALA C C 171.171 0.000 . 630 140 61 ALA CA C 55.537 0.172 . 631 140 61 ALA CB C 20.744 0.122 . 632 140 61 ALA N N 123.066 0.042 . 633 141 62 LEU H H 8.115 0.009 . 634 141 62 LEU HA H 3.739 0.004 . 635 141 62 LEU HB2 H 1.390 0.007 . 636 141 62 LEU HB3 H 1.895 0.020 . 637 141 62 LEU HD1 H 0.871 0.013 . 638 141 62 LEU HD2 H 0.721 0.008 . 639 141 62 LEU HG H 1.630 0.005 . 640 141 62 LEU C C 176.829 0.000 . 641 141 62 LEU CA C 57.869 0.091 . 642 141 62 LEU CB C 41.819 0.164 . 643 141 62 LEU N N 116.546 0.028 . 644 142 63 GLU H H 7.125 0.007 . 645 142 63 GLU HA H 4.143 0.004 . 646 142 63 GLU HB2 H 2.084 0.008 . 647 142 63 GLU HB3 H 2.084 0.008 . 648 142 63 GLU HG2 H 2.177 0.003 . 649 142 63 GLU HG3 H 2.325 0.005 . 650 142 63 GLU C C 176.824 0.000 . 651 142 63 GLU CA C 58.386 0.195 . 652 142 63 GLU CB C 30.341 0.052 . 653 142 63 GLU CG C 36.343 0.144 . 654 142 63 GLU N N 115.902 0.014 . 655 143 64 ARG H H 8.486 0.006 . 656 143 64 ARG HA H 4.143 0.009 . 657 143 64 ARG HB2 H 1.750 0.007 . 658 143 64 ARG HB3 H 1.750 0.007 . 659 143 64 ARG HD2 H 2.985 0.008 . 660 143 64 ARG HD3 H 3.369 0.015 . 661 143 64 ARG HG2 H 1.625 0.010 . 662 143 64 ARG HG3 H 1.625 0.010 . 663 143 64 ARG C C 175.651 0.000 . 664 143 64 ARG CA C 58.574 0.141 . 665 143 64 ARG CB C 32.099 0.000 . 666 143 64 ARG CD C 43.779 0.168 . 667 143 64 ARG CG C 28.015 0.000 . 668 143 64 ARG N N 116.519 0.078 . 669 144 65 LEU H H 8.275 0.006 . 670 144 65 LEU HA H 4.345 0.005 . 671 144 65 LEU HB2 H 1.716 0.014 . 672 144 65 LEU HB3 H 1.290 0.008 . 673 144 65 LEU HD1 H 0.633 0.007 . 674 144 65 LEU HD2 H 0.490 0.017 . 675 144 65 LEU HG H 1.539 0.005 . 676 144 65 LEU C C 172.969 0.000 . 677 144 65 LEU CA C 54.301 0.058 . 678 144 65 LEU CB C 42.415 0.167 . 679 144 65 LEU CD1 C 26.308 0.120 . 680 144 65 LEU CD2 C 22.316 0.184 . 681 144 65 LEU CG C 27.038 0.086 . 682 144 65 LEU N N 112.156 0.028 . 683 145 66 ASN H H 6.569 0.004 . 684 145 66 ASN HA H 4.544 0.011 . 685 145 66 ASN HB2 H 2.829 0.007 . 686 145 66 ASN HB3 H 2.886 0.014 . 687 145 66 ASN HD21 H 6.795 0.010 . 688 145 66 ASN HD22 H 7.617 0.004 . 689 145 66 ASN C C 173.931 0.000 . 690 145 66 ASN CA C 54.466 0.034 . 691 145 66 ASN CB C 39.438 0.149 . 692 145 66 ASN N N 113.256 0.035 . 693 145 66 ASN ND2 N 112.357 0.036 . 694 146 67 ASN H H 8.712 0.008 . 695 146 67 ASN HA H 4.365 0.006 . 696 146 67 ASN HB2 H 2.863 0.020 . 697 146 67 ASN HB3 H 2.901 0.005 . 698 146 67 ASN HD21 H 7.448 0.003 . 699 146 67 ASN HD22 H 6.607 0.005 . 700 146 67 ASN C C 172.561 0.000 . 701 146 67 ASN CA C 55.019 0.160 . 702 146 67 ASN CB C 37.139 0.140 . 703 146 67 ASN N N 121.499 0.022 . 704 146 67 ASN ND2 N 112.989 0.137 . 705 147 68 ILE H H 7.088 0.006 . 706 147 68 ILE HA H 4.416 0.010 . 707 147 68 ILE HB H 1.773 0.003 . 708 147 68 ILE HD1 H 0.848 0.012 . 709 147 68 ILE HG12 H 1.355 0.012 . 710 147 68 ILE HG13 H 1.204 0.016 . 711 147 68 ILE HG2 H 0.818 0.009 . 712 147 68 ILE C C 171.816 0.000 . 713 147 68 ILE CA C 60.802 0.101 . 714 147 68 ILE CB C 40.065 0.147 . 715 147 68 ILE CD1 C 14.831 0.073 . 716 147 68 ILE CG2 C 17.829 0.215 . 717 147 68 ILE N N 114.930 0.023 . 718 148 69 GLU H H 8.288 0.005 . 719 148 69 GLU HA H 4.744 0.011 . 720 148 69 GLU HB2 H 1.829 0.002 . 721 148 69 GLU HB3 H 1.967 0.001 . 722 148 69 GLU HG2 H 2.069 0.003 . 723 148 69 GLU HG3 H 1.764 0.015 . 724 148 69 GLU C C 173.884 0.000 . 725 148 69 GLU CA C 55.872 0.000 . 726 148 69 GLU CB C 30.591 0.072 . 727 148 69 GLU N N 123.263 0.035 . 728 149 70 PHE H H 9.383 0.007 . 729 149 70 PHE HA H 4.581 0.211 . 730 149 70 PHE HB2 H 2.867 0.003 . 731 149 70 PHE HB3 H 2.815 0.004 . 732 149 70 PHE C C 171.401 0.000 . 733 149 70 PHE CA C 55.727 0.033 . 734 149 70 PHE CB C 41.406 0.000 . 735 149 70 PHE N N 128.393 0.047 . 736 150 71 ARG H H 9.149 0.008 . 737 150 71 ARG HA H 3.590 0.006 . 738 150 71 ARG HB2 H 1.626 0.010 . 739 150 71 ARG HB3 H 1.626 0.010 . 740 150 71 ARG HD2 H 2.429 0.002 . 741 150 71 ARG HD3 H 2.730 0.002 . 742 150 71 ARG HG2 H 0.582 0.008 . 743 150 71 ARG HG3 H 1.038 0.013 . 744 150 71 ARG C C 174.348 0.000 . 745 150 71 ARG CA C 56.642 0.248 . 746 150 71 ARG CB C 28.165 0.000 . 747 150 71 ARG CD C 44.146 0.092 . 748 150 71 ARG CG C 24.076 0.000 . 749 150 71 ARG N N 124.536 0.021 . 750 151 72 GLY H H 8.563 0.005 . 751 151 72 GLY HA2 H 3.592 0.013 . 752 151 72 GLY HA3 H 4.159 0.003 . 753 151 72 GLY C C 172.225 0.000 . 754 151 72 GLY CA C 45.548 0.033 . 755 151 72 GLY N N 103.861 0.016 . 756 152 73 SER H H 7.824 0.006 . 757 152 73 SER HA H 4.713 0.010 . 758 152 73 SER HB2 H 4.025 0.010 . 759 152 73 SER HB3 H 3.610 0.005 . 760 152 73 SER C C 170.828 0.000 . 761 152 73 SER CA C 57.180 0.106 . 762 152 73 SER CB C 65.902 0.127 . 763 152 73 SER N N 117.451 0.037 . 764 153 74 VAL H H 8.469 0.007 . 765 153 74 VAL HA H 4.482 0.023 . 766 153 74 VAL HB H 1.897 0.015 . 767 153 74 VAL HG1 H 0.694 0.010 . 768 153 74 VAL HG2 H 0.840 0.012 . 769 153 74 VAL C C 174.633 0.000 . 770 153 74 VAL CA C 62.775 0.050 . 771 153 74 VAL CB C 31.258 0.159 . 772 153 74 VAL CG2 C 21.673 0.246 . 773 153 74 VAL N N 125.610 0.019 . 774 154 75 ILE H H 8.757 0.006 . 775 154 75 ILE HA H 4.747 0.016 . 776 154 75 ILE HB H 2.033 0.010 . 777 154 75 ILE HD1 H 0.686 0.007 . 778 154 75 ILE HG12 H 1.376 0.006 . 779 154 75 ILE HG13 H 1.674 0.007 . 780 154 75 ILE HG2 H 1.028 0.006 . 781 154 75 ILE C C 173.810 0.000 . 782 154 75 ILE CA C 60.682 0.000 . 783 154 75 ILE CB C 39.912 0.150 . 784 154 75 ILE CD1 C 14.290 0.059 . 785 154 75 ILE CG1 C 28.944 0.206 . 786 154 75 ILE CG2 C 18.618 0.130 . 787 154 75 ILE N N 128.142 0.030 . 788 155 76 THR H H 7.861 0.006 . 789 155 76 THR HA H 4.987 0.005 . 790 155 76 THR HB H 4.200 0.008 . 791 155 76 THR HG2 H 1.172 0.007 . 792 155 76 THR C C 171.702 0.000 . 793 155 76 THR CA C 60.244 0.161 . 794 155 76 THR CB C 71.774 0.139 . 795 155 76 THR CG2 C 21.854 0.149 . 796 155 76 THR N N 112.778 0.046 . 797 156 77 VAL H H 8.269 0.003 . 798 156 77 VAL HA H 5.567 0.005 . 799 156 77 VAL HB H 1.952 0.007 . 800 156 77 VAL HG1 H 0.735 0.006 . 801 156 77 VAL HG2 H 0.804 0.011 . 802 156 77 VAL C C 172.766 0.000 . 803 156 77 VAL CA C 58.527 0.125 . 804 156 77 VAL CB C 35.760 0.130 . 805 156 77 VAL CG1 C 20.015 0.156 . 806 156 77 VAL CG2 C 23.703 0.187 . 807 156 77 VAL N N 113.477 0.042 . 808 157 78 GLU H H 8.387 0.005 . 809 157 78 GLU HA H 4.576 0.024 . 810 157 78 GLU HB2 H 1.869 0.019 . 811 157 78 GLU HB3 H 2.026 0.006 . 812 157 78 GLU HG2 H 2.197 0.005 . 813 157 78 GLU HG3 H 2.197 0.005 . 814 157 78 GLU C C 172.531 0.000 . 815 157 78 GLU CA C 54.497 0.018 . 816 157 78 GLU CB C 34.065 0.177 . 817 157 78 GLU N N 118.606 0.027 . 818 158 79 ARG H H 9.090 0.006 . 819 158 79 ARG HA H 4.269 0.011 . 820 158 79 ARG HB2 H 1.767 0.013 . 821 158 79 ARG HB3 H 1.767 0.013 . 822 158 79 ARG HD2 H 3.299 0.014 . 823 158 79 ARG HD3 H 3.111 0.008 . 824 158 79 ARG HG2 H 1.678 0.005 . 825 158 79 ARG HG3 H 1.678 0.005 . 826 158 79 ARG C C 173.401 0.000 . 827 158 79 ARG CA C 58.222 0.103 . 828 158 79 ARG CB C 31.819 0.144 . 829 158 79 ARG CG C 27.150 0.182 . 830 158 79 ARG N N 123.915 0.029 . 831 159 80 ASP H H 8.491 0.005 . 832 159 80 ASP HA H 4.820 0.007 . 833 159 80 ASP HB2 H 2.429 0.003 . 834 159 80 ASP HB3 H 2.496 0.008 . 835 159 80 ASP C C 173.780 0.000 . 836 159 80 ASP CA C 53.081 0.000 . 837 159 80 ASP CB C 41.539 0.050 . 838 159 80 ASP N N 125.875 0.037 . 839 160 81 ASP H H 8.649 0.007 . 840 160 81 ASP HA H 4.814 0.002 . 841 160 81 ASP HB2 H 2.476 0.002 . 842 160 81 ASP HB3 H 2.770 0.007 . 843 160 81 ASP C C 173.948 0.000 . 844 160 81 ASP CA C 54.505 0.000 . 845 160 81 ASP CB C 41.947 0.129 . 846 160 81 ASP N N 124.280 0.024 . 847 161 82 ASN H H 8.485 0.005 . 848 161 82 ASN HA H 4.923 0.025 . 849 161 82 ASN HB2 H 2.555 0.007 . 850 161 82 ASN HB3 H 2.667 0.006 . 851 161 82 ASN HD21 H 6.829 0.005 . 852 161 82 ASN HD22 H 7.667 0.002 . 853 161 82 ASN CA C 51.707 0.176 . 854 161 82 ASN CB C 39.337 0.092 . 855 161 82 ASN N N 119.045 0.019 . 856 161 82 ASN ND2 N 113.984 0.136 . 857 162 83 PRO HD2 H 3.507 0.000 . 858 162 83 PRO HD3 H 3.449 0.006 . 859 162 83 PRO HG2 H 1.750 0.000 . 860 162 83 PRO HG3 H 1.901 0.000 . 861 164 85 PRO HA H 4.292 0.011 . 862 164 85 PRO HB2 H 2.153 0.006 . 863 164 85 PRO HB3 H 1.749 0.007 . 864 164 85 PRO HD2 H 3.677 0.014 . 865 164 85 PRO HD3 H 3.489 0.007 . 866 164 85 PRO HG2 H 1.890 0.004 . 867 164 85 PRO HG3 H 1.890 0.004 . 868 164 85 PRO C C 174.747 0.000 . 869 164 85 PRO CA C 63.039 0.207 . 870 164 85 PRO CB C 31.932 0.032 . 871 164 85 PRO CG C 27.561 0.047 . 872 165 86 ILE H H 8.088 0.006 . 873 165 86 ILE HA H 3.942 0.009 . 874 165 86 ILE HB H 1.618 0.006 . 875 165 86 ILE HD1 H 0.569 0.007 . 876 165 86 ILE HG12 H 0.907 0.004 . 877 165 86 ILE HG13 H 1.250 0.004 . 878 165 86 ILE HG2 H 0.685 0.003 . 879 165 86 ILE CB C 38.745 0.099 . 880 165 86 ILE CD1 C 12.813 0.065 . 881 165 86 ILE CG1 C 27.250 0.141 . 882 165 86 ILE CG2 C 17.399 0.000 . 883 165 86 ILE N N 120.883 0.028 . 884 166 87 ARG H H 7.662 0.004 . 885 166 87 ARG HA H 4.033 0.006 . 886 166 87 ARG HB2 H 1.644 0.029 . 887 166 87 ARG HB3 H 1.644 0.029 . 888 166 87 ARG HD2 H 2.978 0.004 . 889 166 87 ARG HD3 H 2.978 0.004 . 890 166 87 ARG HG2 H 1.394 0.006 . 891 166 87 ARG HG3 H 1.394 0.006 . 892 166 87 ARG CA C 57.160 0.143 . 893 166 87 ARG CB C 31.955 0.012 . 894 166 87 ARG CD C 43.273 0.049 . 895 166 87 ARG CG C 26.805 0.000 . 896 166 87 ARG N N 129.057 0.016 . stop_ save_