data_6956 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RNA recognition by the Vts1 SAM domain ; _BMRB_accession_number 6956 _BMRB_flat_file_name bmr6956.str _Entry_type original _Submission_date 2006-01-27 _Accession_date 2006-01-27 _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 Donaldson L. W. . 2 Johnson P. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 505 "13C chemical shifts" 352 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-26 original author . stop_ _Original_release_date 2006-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'RNA recognition by the Vts1p SAM domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16429155 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Johnson P. E. . 2 Donaldson L. W. . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 177 _Page_last 178 _Year 2006 _Details . loop_ _Keyword alpha-helix hairpin pentaloop stop_ save_ ################################## # Molecular system description # ################################## save_system_PROTEIN_RNA_Complex _Saveframe_category molecular_system _Mol_system_name 'PROTEIN/RNA Complex' _Abbreviation_common 'PROTEIN/RNA Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Vts1p $Vts1p 5'-R(*GP*GP*AP*GP*GP*CP*UP*CP*UP*GP*GP*CP*AP*GP*CP*UP*UP*UP*C)-3' $RNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimeric _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Vts1p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Vts1p _Abbreviation_common Vts1p _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSNVFNNTITHPNAGPTSAT STSTSSNGNTPLSSNSSMNP KSLTDPKLLKNIPMWLKSLR LHKYSDALSGTPWIELIYLD DETLEKKGVLALGARRKLLK AFGIVIDYKERDLIDRSAY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -37 GLY 2 -36 SER 3 -35 ASN 4 -34 VAL 5 -33 PHE 6 -32 ASN 7 -31 ASN 8 -30 THR 9 -29 ILE 10 -28 THR 11 -27 HIS 12 -26 PRO 13 -25 ASN 14 -24 ALA 15 -23 GLY 16 -22 PRO 17 -21 THR 18 -20 SER 19 -19 ALA 20 -18 THR 21 -17 SER 22 -16 THR 23 -15 SER 24 -14 THR 25 -13 SER 26 -12 SER 27 -11 ASN 28 -10 GLY 29 -9 ASN 30 -8 THR 31 -7 PRO 32 -6 LEU 33 -5 SER 34 -4 SER 35 -3 ASN 36 -2 SER 37 -1 SER 38 0 MET 39 1 ASN 40 2 PRO 41 3 LYS 42 4 SER 43 5 LEU 44 6 THR 45 7 ASP 46 8 PRO 47 9 LYS 48 10 LEU 49 11 LEU 50 12 LYS 51 13 ASN 52 14 ILE 53 15 PRO 54 16 MET 55 17 TRP 56 18 LEU 57 19 LYS 58 20 SER 59 21 LEU 60 22 ARG 61 23 LEU 62 24 HIS 63 25 LYS 64 26 TYR 65 27 SER 66 28 ASP 67 29 ALA 68 30 LEU 69 31 SER 70 32 GLY 71 33 THR 72 34 PRO 73 35 TRP 74 36 ILE 75 37 GLU 76 38 LEU 77 39 ILE 78 40 TYR 79 41 LEU 80 42 ASP 81 43 ASP 82 44 GLU 83 45 THR 84 46 LEU 85 47 GLU 86 48 LYS 87 49 LYS 88 50 GLY 89 51 VAL 90 52 LEU 91 53 ALA 92 54 LEU 93 55 GLY 94 56 ALA 95 57 ARG 96 58 ARG 97 59 LYS 98 60 LEU 99 61 LEU 100 62 LYS 101 63 ALA 102 64 PHE 103 65 GLY 104 66 ILE 105 67 VAL 106 68 ILE 107 69 ASP 108 70 TYR 109 71 LYS 110 72 GLU 111 73 ARG 112 74 ASP 113 75 LEU 114 76 ILE 115 77 ASP 116 78 ARG 117 79 SER 118 80 ALA 119 81 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 6922 "Vts1 (438-523)" 72.27 86 100.00 100.00 2.32e-53 PDB 2B6G "Rna Recognition By The Vts1 Sam Domain" 99.16 119 100.00 100.00 1.34e-77 PDB 2D3D "Crystal Structure Of The Rna Binding Sam Domain Of Saccharomyces Cerevisiae Vts1" 73.95 88 100.00 100.00 1.67e-54 PDB 2F8K "Sequence Specific Recognition Of Rna Hairpins By The Sam Domain Of Vts1" 73.95 88 100.00 100.00 1.67e-54 PDB 2FE9 "Solution Structure Of The Vts1 Sam Domain In The Presence Of Rna" 71.43 86 100.00 100.00 2.33e-52 DBJ GAA26663 "K7_Vts1p [Saccharomyces cerevisiae Kyokai no. 7]" 98.32 523 100.00 100.00 1.57e-74 EMBL CAA99688 "unnamed protein product [Saccharomyces cerevisiae]" 98.32 523 100.00 100.00 1.57e-74 GB AHY77628 "Vts1p [Saccharomyces cerevisiae YJM993]" 98.32 523 99.15 100.00 6.61e-74 GB EDN63679 "VTi1-2 suppressor [Saccharomyces cerevisiae YJM789]" 98.32 523 100.00 100.00 1.57e-74 GB EDV10919 "protein VTS1 [Saccharomyces cerevisiae RM11-1a]" 98.32 523 100.00 100.00 1.57e-74 GB EDZ69055 "YOR359Wp-like protein [Saccharomyces cerevisiae AWRI1631]" 98.32 425 100.00 100.00 5.64e-75 GB EEU07517 "Vts1p [Saccharomyces cerevisiae JAY291]" 98.32 523 100.00 100.00 1.57e-74 REF NP_015004 "Vts1p [Saccharomyces cerevisiae S288c]" 98.32 523 100.00 100.00 1.57e-74 SP Q08831 "RecName: Full=Protein VTS1; AltName: Full=VTI1-2 suppressor protein 1 [Saccharomyces cerevisiae S288c]" 98.32 523 100.00 100.00 1.57e-74 TPG DAA11120 "TPA: Vts1p [Saccharomyces cerevisiae S288c]" 98.32 523 100.00 100.00 1.57e-74 stop_ save_ save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Abbreviation_common RNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 19 _Mol_residue_sequence GGAGGCUCUGGCAGCUUUC loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 G 5 G 6 C 7 U 8 C 9 U 10 G 11 G 12 C 13 A 14 G 15 C 16 U 17 U 18 U 19 C 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 _Details $Vts1p 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae Vts1 $RNA 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster ; Drosophila melanogaster sequence from nanos RNA termed the Smaug Recognition Element. ; 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 _Details $Vts1p 'recombinant technology' . . . . . . $RNA 'chemical synthesis' . . . . . 'RNA was produced by T7 polymerase based in vitro transcription.' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Vts1p . mM 0.2 0.8 '[U-15N; U-13C]' $RNA . mM 0.2 0.8 . 'sodium phosphate buffer' 20 mM . . . 'sodium chloride' 150 mM . . . 'sodium azide' 0.02 % . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task 'structure solution' stop_ _Details Guentert save_ save_XPLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.11.0 loop_ _Task refinement 'structure solution' stop_ _Details Schweiters save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_12C-filtered_13C-edited_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 12C-filtered 13C-edited NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.8 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 C 13 'methyl protons' ppm . . . . . . . $entry_citation $entry_citation DSS H 1 'methyl protons' ppm . . . . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm . . . . . . . $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Vts1p _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 39 ASN HB3 H 1.880 . 2 2 2 40 PRO HA H 4.780 . 1 3 2 40 PRO HB2 H 1.500 . 2 4 2 40 PRO HB3 H 1.580 . 2 5 2 40 PRO HG2 H 1.900 . 1 6 2 40 PRO HG3 H 1.900 . 1 7 2 40 PRO HD2 H 3.800 . 1 8 2 40 PRO HD3 H 3.800 . 1 9 2 40 PRO C C 175.038 . 1 10 2 40 PRO CA C 65.490 . 1 11 2 40 PRO CB C 32.004 . 1 12 2 40 PRO CG C 27.648 . 1 13 2 40 PRO CD C 51.054 . 1 14 3 41 LYS H H 8.198 . 1 15 3 41 LYS HA H 3.804 . 1 16 3 41 LYS HB2 H 1.790 . 1 17 3 41 LYS HB3 H 1.790 . 1 18 3 41 LYS HG2 H 1.510 . 2 19 3 41 LYS HG3 H 1.428 . 2 20 3 41 LYS HD3 H 1.694 . 2 21 3 41 LYS HE2 H 3.025 . 2 22 3 41 LYS C C 175.193 . 1 23 3 41 LYS CA C 58.864 . 1 24 3 41 LYS CB C 31.969 . 1 25 3 41 LYS CG C 25.127 . 1 26 3 41 LYS CD C 28.898 . 1 27 3 41 LYS CE C 42.072 . 1 28 3 41 LYS N N 116.974 . 1 29 4 42 SER H H 7.295 . 1 30 4 42 SER HA H 4.399 . 1 31 4 42 SER HB2 H 3.889 . 2 32 4 42 SER HB3 H 3.786 . 2 33 4 42 SER C C 173.145 . 1 34 4 42 SER CA C 60.252 . 1 35 4 42 SER CB C 62.857 . 1 36 4 42 SER N N 113.305 . 1 37 5 43 LEU H H 7.632 . 1 38 5 43 LEU HA H 3.991 . 1 39 5 43 LEU HB2 H 1.360 . 2 40 5 43 LEU HB3 H 1.563 . 2 41 5 43 LEU HD1 H 0.804 . 2 42 5 43 LEU HD2 H 0.595 . 2 43 5 43 LEU C C 174.787 . 1 44 5 43 LEU CA C 56.612 . 1 45 5 43 LEU CB C 44.149 . 1 46 5 43 LEU CD1 C 26.980 . 1 47 5 43 LEU CD2 C 23.960 . 1 48 5 43 LEU N N 115.922 . 1 49 6 44 THR H H 7.019 . 1 50 6 44 THR HA H 4.165 . 1 51 6 44 THR HB H 4.410 . 1 52 6 44 THR HG2 H 0.873 . 1 53 6 44 THR CA C 59.588 . 1 54 6 44 THR CB C 68.604 . 1 55 6 44 THR CG2 C 21.063 . 1 56 6 44 THR N N 129.353 . 1 57 7 45 ASP H H 7.007 . 1 58 7 45 ASP HA H 4.639 . 1 59 7 45 ASP HB2 H 2.866 . 2 60 7 45 ASP HB3 H 2.964 . 2 61 7 45 ASP CA C 52.481 . 1 62 7 45 ASP CB C 42.440 . 1 63 7 45 ASP N N 125.149 . 1 64 8 46 PRO HA H 3.752 . 1 65 8 46 PRO HB2 H 2.000 . 1 66 8 46 PRO HB3 H 2.000 . 1 67 8 46 PRO HG2 H 2.115 . 2 68 8 46 PRO HG3 H 1.906 . 2 69 8 46 PRO HD2 H 3.990 . 2 70 8 46 PRO HD3 H 3.816 . 2 71 8 46 PRO C C 174.743 . 1 72 8 46 PRO CA C 65.345 . 1 73 8 46 PRO CB C 32.652 . 1 74 8 46 PRO CG C 28.280 . 1 75 8 46 PRO CD C 50.959 . 1 76 9 47 LYS H H 8.144 . 1 77 9 47 LYS HA H 3.959 . 1 78 9 47 LYS HB2 H 1.715 . 1 79 9 47 LYS HB3 H 1.715 . 1 80 9 47 LYS HG2 H 1.431 . 1 81 9 47 LYS HG3 H 1.431 . 1 82 9 47 LYS HD2 H 1.000 . 2 83 9 47 LYS HD3 H 1.800 . 2 84 9 47 LYS HE2 H 2.994 . 1 85 9 47 LYS HE3 H 2.994 . 1 86 9 47 LYS C C 176.208 . 1 87 9 47 LYS CA C 58.675 . 1 88 9 47 LYS CB C 32.049 . 1 89 9 47 LYS CG C 25.102 . 1 90 9 47 LYS CD C 29.154 . 1 91 9 47 LYS CE C 42.082 . 1 92 9 47 LYS N N 114.734 . 1 93 10 48 LEU H H 7.436 . 1 94 10 48 LEU HA H 4.345 . 1 95 10 48 LEU HB2 H 1.558 . 1 96 10 48 LEU HB3 H 1.558 . 1 97 10 48 LEU HG H 1.653 . 1 98 10 48 LEU HD1 H 0.747 . 2 99 10 48 LEU HD2 H 1.000 . 2 100 10 48 LEU C C 175.883 . 1 101 10 48 LEU CA C 57.500 . 1 102 10 48 LEU CB C 42.082 . 1 103 10 48 LEU CG C 27.225 . 1 104 10 48 LEU CD1 C 23.559 . 1 105 10 48 LEU CD2 C 25.102 . 1 106 10 48 LEU N N 117.700 . 1 107 11 49 LEU H H 8.252 . 1 108 11 49 LEU HA H 3.380 . 1 109 11 49 LEU HB3 H 0.789 . 2 110 11 49 LEU HD1 H -0.674 . 2 111 11 49 LEU HD2 H -0.010 . 4 112 11 49 LEU C C 175.016 . 1 113 11 49 LEU CA C 57.520 . 1 114 11 49 LEU CB C 39.760 . 1 115 11 49 LEU CD1 C 25.184 . 1 116 11 49 LEU CD2 C 20.410 . 1 117 11 49 LEU N N 118.938 . 1 118 12 50 LYS H H 7.007 . 1 119 12 50 LYS HA H 4.450 . 1 120 12 50 LYS HB2 H 2.384 . 2 121 12 50 LYS HB3 H 1.831 . 2 122 12 50 LYS HG2 H 1.797 . 2 123 12 50 LYS HG3 H 1.543 . 2 124 12 50 LYS HE3 H 3.034 . 2 125 12 50 LYS C C 170.640 . 1 126 12 50 LYS CA C 57.212 . 1 127 12 50 LYS CB C 32.550 . 1 128 12 50 LYS CG C 25.972 . 1 129 12 50 LYS CD C 28.992 . 1 130 12 50 LYS CE C 42.151 . 1 131 12 50 LYS N N 110.317 . 1 132 13 51 ASN H H 7.733 . 1 133 13 51 ASN HA H 5.000 . 1 134 13 51 ASN HB2 H 2.589 . 2 135 13 51 ASN HB3 H 3.213 . 2 136 13 51 ASN HD21 H 7.790 . 2 137 13 51 ASN HD22 H 6.860 . 2 138 13 51 ASN C C 170.647 . 1 139 13 51 ASN CA C 51.123 . 1 140 13 51 ASN CB C 38.336 . 1 141 13 51 ASN N N 121.956 . 1 142 13 51 ASN ND2 N 111.700 . 1 143 14 52 ILE H H 8.990 . 1 144 14 52 ILE HA H 4.380 . 1 145 14 52 ILE HB H 2.391 . 1 146 14 52 ILE HG12 H 0.590 . 1 147 14 52 ILE HG13 H 1.794 . 1 148 14 52 ILE HG2 H 0.950 . 1 149 14 52 ILE HD1 H 0.440 . 1 150 14 52 ILE CA C 62.522 . 1 151 14 52 ILE CB C 33.236 . 1 152 14 52 ILE CG2 C 17.797 . 1 153 14 52 ILE CD1 C 7.850 . 1 154 14 52 ILE N N 123.452 . 1 155 15 53 PRO HA H 4.415 . 1 156 15 53 PRO HB2 H 1.870 . 1 157 15 53 PRO HB3 H 1.870 . 1 158 15 53 PRO HG2 H 2.270 . 1 159 15 53 PRO HG3 H 2.270 . 1 160 15 53 PRO HD2 H 4.056 . 2 161 15 53 PRO HD3 H 3.771 . 2 162 15 53 PRO CA C 60.243 . 1 163 15 53 PRO CB C 31.648 . 1 164 15 53 PRO CG C 29.078 . 1 165 15 53 PRO CD C 49.848 . 1 166 16 54 MET H H 7.635 . 1 167 16 54 MET HA H 4.521 . 1 168 16 54 MET HB2 H 2.050 . 2 169 16 54 MET HB3 H 2.230 . 2 170 16 54 MET HE H 2.040 . 1 171 16 54 MET C C 176.471 . 1 172 16 54 MET CA C 57.210 . 1 173 16 54 MET CB C 32.450 . 1 174 16 54 MET CE C 16.750 . 1 175 16 54 MET N N 116.445 . 1 176 17 55 TRP H H 8.882 . 1 177 17 55 TRP HA H 3.890 . 1 178 17 55 TRP HB2 H 3.590 . 2 179 17 55 TRP HB3 H 3.700 . 2 180 17 55 TRP HD1 H 6.730 . 1 181 17 55 TRP HE1 H 10.640 . 3 182 17 55 TRP HE3 H 6.720 . 3 183 17 55 TRP HZ2 H 7.050 . 3 184 17 55 TRP HZ3 H 6.710 . 3 185 17 55 TRP HH2 H 7.000 . 1 186 17 55 TRP C C 177.410 . 1 187 17 55 TRP CA C 63.358 . 1 188 17 55 TRP CB C 28.931 . 1 189 17 55 TRP CD1 C 128.000 . 3 190 17 55 TRP CE3 C 119.835 . 3 191 17 55 TRP CZ2 C 114.110 . 3 192 17 55 TRP CZ3 C 121.098 . 3 193 17 55 TRP CH2 C 124.550 . 1 194 17 55 TRP N N 128.134 . 1 195 17 55 TRP NE1 N 131.020 . 1 196 18 56 LEU H H 9.677 . 1 197 18 56 LEU HA H 3.910 . 1 198 18 56 LEU HB2 H 1.037 . 2 199 18 56 LEU HB3 H 2.080 . 2 200 18 56 LEU HD1 H 1.060 . 2 201 18 56 LEU HD2 H 0.920 . 2 202 18 56 LEU C C 178.118 . 1 203 18 56 LEU CA C 57.773 . 1 204 18 56 LEU CB C 41.028 . 1 205 18 56 LEU CD1 C 23.170 . 1 206 18 56 LEU CD2 C 27.218 . 1 207 18 56 LEU N N 117.499 . 1 208 19 57 LYS H H 8.314 . 1 209 19 57 LYS HA H 4.400 . 1 210 19 57 LYS HG2 H 1.400 . 2 211 19 57 LYS HG3 H 1.950 . 2 212 19 57 LYS HD2 H 1.100 . 1 213 19 57 LYS HD3 H 1.100 . 1 214 19 57 LYS HE2 H 2.640 . 1 215 19 57 LYS HE3 H 2.640 . 1 216 19 57 LYS C C 177.337 . 1 217 19 57 LYS CA C 59.370 . 1 218 19 57 LYS CB C 32.422 . 1 219 19 57 LYS CG C 25.545 . 1 220 19 57 LYS CD C 29.267 . 1 221 19 57 LYS CE C 42.193 . 1 222 19 57 LYS N N 122.544 . 1 223 20 58 SER H H 8.047 . 1 224 20 58 SER HA H 4.176 . 1 225 20 58 SER HB2 H 3.850 . 1 226 20 58 SER HB3 H 3.850 . 1 227 20 58 SER C C 171.873 . 1 228 20 58 SER CA C 61.987 . 1 229 20 58 SER CB C 63.358 . 1 230 20 58 SER N N 118.123 . 1 231 21 59 LEU H H 6.695 . 1 232 21 59 LEU HA H 4.231 . 1 233 21 59 LEU HB2 H 1.387 . 2 234 21 59 LEU HB3 H 1.220 . 2 235 21 59 LEU HD1 H -0.279 . 2 236 21 59 LEU HD2 H 0.444 . 2 237 21 59 LEU C C 172.515 . 1 238 21 59 LEU CA C 54.169 . 1 239 21 59 LEU CB C 44.300 . 1 240 21 59 LEU CD1 C 24.910 . 2 241 21 59 LEU CD2 C 23.505 . 2 242 21 59 LEU N N 119.604 . 1 243 22 60 ARG H H 8.340 . 1 244 22 60 ARG HA H 4.398 . 1 245 22 60 ARG HB2 H 1.730 . 2 246 22 60 ARG HB3 H 1.660 . 2 247 22 60 ARG HG2 H 1.700 . 2 248 22 60 ARG HG3 H 1.670 . 2 249 22 60 ARG HD2 H 3.480 . 2 250 22 60 ARG HD3 H 3.252 . 2 251 22 60 ARG HE H 7.210 . 1 252 22 60 ARG C C 174.370 . 1 253 22 60 ARG CA C 58.915 . 1 254 22 60 ARG CB C 26.087 . 1 255 22 60 ARG CG C 28.593 . 1 256 22 60 ARG CD C 43.260 . 1 257 22 60 ARG N N 115.237 . 1 258 22 60 ARG NE N 85.540 . 1 259 23 61 LEU H H 8.473 . 1 260 23 61 LEU HB2 H 1.390 . 2 261 23 61 LEU HB3 H 2.040 . 2 262 23 61 LEU HG H 0.880 . 1 263 23 61 LEU HD1 H 0.540 . 2 264 23 61 LEU HD2 H 0.878 . 2 265 23 61 LEU C C 173.014 . 1 266 23 61 LEU CA C 54.154 . 1 267 23 61 LEU CB C 44.114 . 1 268 23 61 LEU CG C 25.648 . 1 269 23 61 LEU CD1 C 23.261 . 1 270 23 61 LEU CD2 C 23.554 . 1 271 23 61 LEU N N 120.413 . 1 272 24 62 HIS H H 9.781 . 1 273 24 62 HIS HA H 4.390 . 1 274 24 62 HIS HB2 H 3.323 . 2 275 24 62 HIS HB3 H 2.681 . 2 276 24 62 HIS HD2 H 6.975 . 3 277 24 62 HIS HE1 H 7.514 . 3 278 24 62 HIS C C 174.425 . 1 279 24 62 HIS CA C 59.175 . 1 280 24 62 HIS CB C 29.889 . 1 281 24 62 HIS CD2 C 118.405 . 1 282 24 62 HIS CE1 C 138.807 . 1 283 24 62 HIS N N 120.686 . 1 284 25 63 LYS H H 8.402 . 1 285 25 63 LYS HA H 4.028 . 1 286 25 63 LYS HB2 H 0.970 . 2 287 25 63 LYS HB3 H 1.670 . 2 288 25 63 LYS HG2 H -0.008 . 2 289 25 63 LYS HG3 H 0.500 . 2 290 25 63 LYS HD2 H 1.539 . 1 291 25 63 LYS HD3 H 1.539 . 1 292 25 63 LYS HE2 H 2.880 . 2 293 25 63 LYS HE3 H 2.700 . 2 294 25 63 LYS C C 174.278 . 1 295 25 63 LYS CA C 58.257 . 1 296 25 63 LYS CB C 31.643 . 1 297 25 63 LYS CG C 23.058 . 1 298 25 63 LYS CD C 29.463 . 1 299 25 63 LYS CE C 41.708 . 1 300 25 63 LYS N N 125.052 . 1 301 26 64 TYR H H 7.814 . 1 302 26 64 TYR HA H 4.110 . 1 303 26 64 TYR HB2 H 3.380 . 2 304 26 64 TYR HB3 H 2.660 . 2 305 26 64 TYR HD1 H 7.155 . 3 306 26 64 TYR HE1 H 7.193 . 3 307 26 64 TYR C C 171.991 . 1 308 26 64 TYR CA C 58.206 . 1 309 26 64 TYR CB C 37.206 . 1 310 26 64 TYR CD1 C 133.740 . 3 311 26 64 TYR CE1 C 119.473 . 3 312 26 64 TYR N N 117.076 . 1 313 27 65 SER H H 7.794 . 1 314 27 65 SER HA H 3.938 . 1 315 27 65 SER C C 173.994 . 1 316 27 65 SER CA C 63.358 . 1 317 27 65 SER N N 116.450 . 1 318 28 66 ASP H H 8.876 . 1 319 28 66 ASP HA H 4.420 . 1 320 28 66 ASP HB2 H 2.700 . 2 321 28 66 ASP HB3 H 2.791 . 2 322 28 66 ASP C C 176.021 . 1 323 28 66 ASP CA C 57.115 . 1 324 28 66 ASP CB C 39.626 . 1 325 28 66 ASP N N 121.442 . 1 326 29 67 ALA H H 8.146 . 1 327 29 67 ALA HA H 4.273 . 1 328 29 67 ALA HB H 1.542 . 1 329 29 67 ALA C C 176.490 . 1 330 29 67 ALA CA C 54.991 . 1 331 29 67 ALA CB C 18.153 . 1 332 29 67 ALA N N 122.293 . 1 333 30 68 LEU H H 7.515 . 1 334 30 68 LEU HA H 4.535 . 1 335 30 68 LEU HB2 H 1.840 . 2 336 30 68 LEU HB3 H 1.682 . 2 337 30 68 LEU HD1 H 0.680 . 2 338 30 68 LEU HD2 H 0.930 . 2 339 30 68 LEU C C 174.345 . 1 340 30 68 LEU CA C 54.500 . 1 341 30 68 LEU CB C 42.440 . 1 342 30 68 LEU CD1 C 21.485 . 1 343 30 68 LEU CD2 C 26.040 . 1 344 30 68 LEU N N 112.881 . 1 345 31 69 SER H H 8.105 . 1 346 31 69 SER HA H 4.172 . 1 347 31 69 SER HB2 H 4.130 . 2 348 31 69 SER HB3 H 4.110 . 2 349 31 69 SER C C 172.676 . 1 350 31 69 SER CA C 60.848 . 1 351 31 69 SER CB C 63.358 . 1 352 31 69 SER N N 114.122 . 1 353 32 70 GLY H H 8.750 . 1 354 32 70 GLY HA2 H 4.010 . 2 355 32 70 GLY HA3 H 3.972 . 2 356 32 70 GLY C C 171.213 . 1 357 32 70 GLY CA C 45.780 . 1 358 32 70 GLY N N 110.715 . 1 359 33 71 THR H H 7.858 . 1 360 33 71 THR HA H 4.177 . 1 361 33 71 THR HB H 4.006 . 1 362 33 71 THR HG2 H 1.160 . 1 363 33 71 THR CA C 60.011 . 1 364 33 71 THR CB C 70.889 . 1 365 33 71 THR CG2 C 21.060 . 1 366 33 71 THR N N 118.659 . 1 367 34 72 PRO HA H 4.468 . 1 368 34 72 PRO HB2 H 1.835 . 2 369 34 72 PRO HB3 H 2.381 . 2 370 34 72 PRO HG2 H 2.002 . 1 371 34 72 PRO HG3 H 2.002 . 1 372 34 72 PRO HD2 H 3.882 . 2 373 34 72 PRO HD3 H 3.714 . 2 374 34 72 PRO C C 176.970 . 1 375 34 72 PRO CA C 62.520 . 1 376 34 72 PRO CB C 32.399 . 1 377 34 72 PRO CG C 27.588 . 1 378 34 72 PRO CD C 51.011 . 1 379 35 73 TRP H H 9.230 . 1 380 35 73 TRP HA H 3.888 . 1 381 35 73 TRP HB2 H 2.763 . 2 382 35 73 TRP HB3 H 3.376 . 2 383 35 73 TRP HD1 H 7.200 . 1 384 35 73 TRP HE1 H 10.190 . 3 385 35 73 TRP HE3 H 6.920 . 3 386 35 73 TRP HZ2 H 5.750 . 3 387 35 73 TRP HZ3 H 6.480 . 3 388 35 73 TRP HH2 H 6.670 . 1 389 35 73 TRP C C 172.877 . 1 390 35 73 TRP CA C 60.848 . 1 391 35 73 TRP CB C 26.943 . 1 392 35 73 TRP CD1 C 125.515 . 3 393 35 73 TRP CE3 C 121.018 . 3 394 35 73 TRP CZ2 C 112.989 . 3 395 35 73 TRP CH2 C 123.746 . 1 396 35 73 TRP N N 123.706 . 1 397 35 73 TRP NE1 N 129.190 . 1 398 36 74 ILE H H 5.863 . 1 399 36 74 ILE HA H 3.016 . 1 400 36 74 ILE HG12 H 0.754 . 1 401 36 74 ILE HG13 H 0.691 . 1 402 36 74 ILE HG2 H 0.140 . 1 403 36 74 ILE HD1 H 0.606 . 1 404 36 74 ILE C C 172.330 . 1 405 36 74 ILE CA C 63.764 . 1 406 36 74 ILE CB C 37.932 . 1 407 36 74 ILE CG1 C 28.230 . 2 408 36 74 ILE CG2 C 16.730 . 1 409 36 74 ILE CD1 C 14.183 . 1 410 36 74 ILE N N 115.721 . 1 411 37 75 GLU H H 7.003 . 1 412 37 75 GLU HA H 4.240 . 1 413 37 75 GLU HB2 H 1.898 . 1 414 37 75 GLU HB3 H 1.898 . 1 415 37 75 GLU HG2 H 2.070 . 1 416 37 75 GLU HG3 H 2.070 . 1 417 37 75 GLU C C 175.491 . 1 418 37 75 GLU CA C 57.115 . 1 419 37 75 GLU CB C 31.070 . 1 420 37 75 GLU CG C 36.371 . 1 421 37 75 GLU N N 117.637 . 1 422 38 76 LEU H H 8.160 . 1 423 38 76 LEU HA H 3.473 . 1 424 38 76 LEU HB2 H 1.457 . 2 425 38 76 LEU HB3 H 1.185 . 2 426 38 76 LEU HD1 H 0.918 . 4 427 38 76 LEU HD2 H 0.610 . 2 428 38 76 LEU C C 173.214 . 1 429 38 76 LEU CA C 57.695 . 1 430 38 76 LEU CB C 43.377 . 1 431 38 76 LEU CD1 C 24.244 . 1 432 38 76 LEU CD2 C 25.120 . 1 433 38 76 LEU N N 122.755 . 1 434 39 77 ILE H H 6.884 . 1 435 39 77 ILE HB H 1.701 . 1 436 39 77 ILE HG2 H 0.784 . 1 437 39 77 ILE HD1 H 0.649 . 1 438 39 77 ILE C C 171.400 . 1 439 39 77 ILE CA C 62.522 . 1 440 39 77 ILE CB C 36.902 . 1 441 39 77 ILE CG1 C 23.380 . 2 442 39 77 ILE CG2 C 15.162 . 1 443 39 77 ILE CD1 C 13.893 . 1 444 39 77 ILE N N 131.970 . 1 445 40 78 TYR H H 6.596 . 1 446 40 78 TYR HA H 4.389 . 1 447 40 78 TYR HB2 H 3.386 . 2 448 40 78 TYR HB3 H 2.357 . 2 449 40 78 TYR HD1 H 7.155 . 3 450 40 78 TYR HE1 H 7.090 . 3 451 40 78 TYR C C 173.345 . 1 452 40 78 TYR CA C 58.599 . 1 453 40 78 TYR CB C 38.751 . 1 454 40 78 TYR CD1 C 133.740 . 3 455 40 78 TYR CE1 C 119.474 . 3 456 40 78 TYR N N 114.442 . 1 457 41 79 LEU H H 7.487 . 1 458 41 79 LEU HA H 4.282 . 1 459 41 79 LEU HB2 H 1.550 . 2 460 41 79 LEU HB3 H 2.058 . 2 461 41 79 LEU HD1 H 1.260 . 2 462 41 79 LEU HD2 H 0.830 . 2 463 41 79 LEU C C 172.505 . 1 464 41 79 LEU CA C 56.277 . 1 465 41 79 LEU CB C 42.328 . 1 466 41 79 LEU CD1 C 22.586 . 1 467 41 79 LEU CD2 C 26.507 . 1 468 41 79 LEU N N 122.127 . 1 469 42 80 ASP H H 7.487 . 1 470 42 80 ASP HB2 H 3.225 . 2 471 42 80 ASP HB3 H 2.825 . 2 472 42 80 ASP C C 172.858 . 1 473 42 80 ASP CA C 51.077 . 1 474 42 80 ASP CB C 42.680 . 1 475 42 80 ASP N N 117.519 . 1 476 43 81 ASP H H 8.573 . 1 477 43 81 ASP HA H 4.090 . 1 478 43 81 ASP HB2 H 2.700 . 2 479 43 81 ASP HB3 H 2.560 . 2 480 43 81 ASP C C 174.459 . 1 481 43 81 ASP CA C 59.466 . 1 482 43 81 ASP CB C 43.277 . 1 483 43 81 ASP N N 118.688 . 1 484 44 82 GLU H H 8.537 . 1 485 44 82 GLU HA H 4.120 . 1 486 44 82 GLU HB2 H 1.956 . 3 487 44 82 GLU HB3 H 2.109 . 2 488 44 82 GLU HG2 H 2.665 . 3 489 44 82 GLU HG3 H 2.346 . 2 490 44 82 GLU C C 176.825 . 1 491 44 82 GLU CA C 59.304 . 1 492 44 82 GLU CB C 29.810 . 1 493 44 82 GLU N N 116.613 . 1 494 45 83 THR H H 8.489 . 1 495 45 83 THR HA H 4.194 . 1 496 45 83 THR HB H 3.880 . 1 497 45 83 THR HG2 H 1.280 . 1 498 45 83 THR C C 173.855 . 1 499 45 83 THR CA C 67.301 . 1 500 45 83 THR CG2 C 22.653 . 1 501 45 83 THR N N 117.688 . 1 502 46 84 LEU H H 8.692 . 1 503 46 84 LEU HA H 3.787 . 1 504 46 84 LEU HB2 H 2.172 . 2 505 46 84 LEU HB3 H 0.921 . 2 506 46 84 LEU HD1 H 0.764 . 2 507 46 84 LEU HD2 H 0.921 . 2 508 46 84 LEU C C 175.862 . 1 509 46 84 LEU CA C 58.380 . 1 510 46 84 LEU CB C 42.239 . 1 511 46 84 LEU CD1 C 26.550 . 1 512 46 84 LEU CD2 C 23.690 . 1 513 46 84 LEU N N 121.370 . 1 514 47 85 GLU H H 8.134 . 1 515 47 85 GLU HA H 3.809 . 1 516 47 85 GLU HB2 H 2.338 . 2 517 47 85 GLU HB3 H 2.167 . 2 518 47 85 GLU HG2 H 2.145 . 2 519 47 85 GLU HG3 H 2.065 . 2 520 47 85 GLU C C 177.686 . 1 521 47 85 GLU CA C 60.011 . 1 522 47 85 GLU CB C 28.550 . 1 523 47 85 GLU CG C 35.531 . 1 524 47 85 GLU N N 120.159 . 1 525 48 86 LYS H H 8.141 . 1 526 48 86 LYS HA H 3.983 . 1 527 48 86 LYS HB2 H 1.998 . 1 528 48 86 LYS HB3 H 1.998 . 1 529 48 86 LYS HG2 H 1.517 . 1 530 48 86 LYS HG3 H 1.517 . 1 531 48 86 LYS HD2 H 1.676 . 1 532 48 86 LYS HD3 H 1.676 . 1 533 48 86 LYS HE2 H 2.960 . 1 534 48 86 LYS HE3 H 2.960 . 1 535 48 86 LYS C C 176.154 . 1 536 48 86 LYS CA C 59.370 . 1 537 48 86 LYS CB C 32.422 . 1 538 48 86 LYS CG C 25.545 . 1 539 48 86 LYS CD C 29.267 . 1 540 48 86 LYS CE C 42.193 . 1 541 48 86 LYS N N 121.527 . 1 542 49 87 LYS H H 8.062 . 1 543 49 87 LYS HA H 4.193 . 1 544 49 87 LYS HB2 H 1.834 . 1 545 49 87 LYS HB3 H 1.834 . 1 546 49 87 LYS HG2 H 1.600 . 1 547 49 87 LYS HG3 H 1.600 . 1 548 49 87 LYS HD2 H 1.592 . 1 549 49 87 LYS HD3 H 1.592 . 1 550 49 87 LYS C C 173.457 . 1 551 49 87 LYS CA C 57.397 . 1 552 49 87 LYS CB C 32.868 . 1 553 49 87 LYS CG C 25.470 . 1 554 49 87 LYS CD C 29.123 . 1 555 49 87 LYS CE C 41.686 . 1 556 49 87 LYS N N 116.948 . 1 557 50 88 GLY H H 7.642 . 1 558 50 88 GLY HA2 H 4.649 . 2 559 50 88 GLY HA3 H 3.613 . 2 560 50 88 GLY C C 172.535 . 1 561 50 88 GLY CA C 44.491 . 1 562 51 89 VAL H H 8.377 . 1 563 51 89 VAL HA H 4.040 . 1 564 51 89 VAL HB H 1.649 . 1 565 51 89 VAL HG1 H 0.462 . 2 566 51 89 VAL HG2 H -0.135 . 2 567 51 89 VAL C C 172.614 . 1 568 51 89 VAL CA C 60.011 . 1 569 51 89 VAL CB C 27.379 . 1 570 51 89 VAL CG1 C 18.924 . 1 571 51 89 VAL CG2 C 21.763 . 1 572 51 89 VAL N N 122.408 . 1 573 52 90 LEU H H 7.212 . 1 574 52 90 LEU HA H 3.935 . 1 575 52 90 LEU HB2 H 1.638 . 2 576 52 90 LEU HB3 H 1.900 . 2 577 52 90 LEU HD1 H 0.888 . 2 578 52 90 LEU HD2 H 1.014 . 2 579 52 90 LEU C C 174.625 . 1 580 52 90 LEU CA C 57.364 . 1 581 52 90 LEU CB C 41.333 . 1 582 52 90 LEU CG C 26.878 . 1 583 52 90 LEU CD1 C 22.360 . 1 584 52 90 LEU CD2 C 25.162 . 1 585 52 90 LEU N N 124.238 . 1 586 53 91 ALA H H 6.901 . 1 587 53 91 ALA HA H 4.683 . 1 588 53 91 ALA HB H 1.611 . 1 589 53 91 ALA C C 173.751 . 1 590 53 91 ALA CA C 51.644 . 1 591 53 91 ALA CB C 18.881 . 1 592 53 91 ALA N N 120.326 . 1 593 54 92 LEU H H 8.613 . 1 594 54 92 LEU HA H 3.811 . 1 595 54 92 LEU HB2 H 2.010 . 2 596 54 92 LEU HB3 H 1.684 . 2 597 54 92 LEU HD1 H 0.870 . 2 598 54 92 LEU HD2 H 0.900 . 2 599 54 92 LEU C C 176.561 . 1 600 54 92 LEU CA C 58.564 . 1 601 54 92 LEU CB C 41.603 . 1 602 54 92 LEU CD1 C 23.677 . 1 603 54 92 LEU CD2 C 25.648 . 1 604 54 92 LEU N N 131.367 . 1 605 55 93 GLY H H 9.725 . 1 606 55 93 GLY HA2 H 4.249 . 2 607 55 93 GLY HA3 H 3.469 . 2 608 55 93 GLY C C 173.618 . 1 609 55 93 GLY CA C 47.460 . 1 610 55 93 GLY N N 106.179 . 1 611 56 94 ALA H H 6.318 . 1 612 56 94 ALA HA H 3.350 . 1 613 56 94 ALA HB H 1.250 . 1 614 56 94 ALA C C 175.883 . 1 615 56 94 ALA CA C 54.991 . 1 616 56 94 ALA CB C 19.523 . 1 617 56 94 ALA N N 121.353 . 1 618 57 95 ARG H H 7.709 . 1 619 57 95 ARG HA H 4.763 . 1 620 57 95 ARG HB2 H 1.982 . 1 621 57 95 ARG HB3 H 1.982 . 1 622 57 95 ARG HD2 H 3.340 . 2 623 57 95 ARG HD3 H 3.472 . 2 624 57 95 ARG HE H 8.220 . 1 625 57 95 ARG C C 175.021 . 1 626 57 95 ARG CA C 61.685 . 1 627 57 95 ARG CB C 30.021 . 1 628 57 95 ARG CD C 43.279 . 1 629 57 95 ARG N N 117.076 . 1 630 57 95 ARG NE N 82.330 . 1 631 58 96 ARG H H 8.446 . 1 632 58 96 ARG HA H 4.300 . 1 633 58 96 ARG HB2 H 1.797 . 2 634 58 96 ARG HB3 H 1.660 . 2 635 58 96 ARG HG2 H 1.669 . 2 636 58 96 ARG HG3 H 1.491 . 2 637 58 96 ARG HD2 H 3.030 . 2 638 58 96 ARG HD3 H 3.626 . 2 639 58 96 ARG HE H 7.143 . 1 640 58 96 ARG C C 176.005 . 1 641 58 96 ARG CA C 59.369 . 1 642 58 96 ARG CB C 30.366 . 1 643 58 96 ARG CG C 26.991 . 1 644 58 96 ARG CD C 43.937 . 1 645 58 96 ARG N N 116.614 . 1 646 58 96 ARG NE N 84.550 . 1 647 59 97 LYS H H 7.139 . 1 648 59 97 LYS HA H 3.698 . 1 649 59 97 LYS HB2 H 1.346 . 2 650 59 97 LYS HB3 H 1.126 . 2 651 59 97 LYS HD2 H 1.665 . 2 652 59 97 LYS HD3 H 1.795 . 2 653 59 97 LYS C C 175.244 . 1 654 59 97 LYS CA C 60.000 . 1 655 59 97 LYS CB C 32.609 . 1 656 59 97 LYS CG C 25.675 . 1 657 59 97 LYS CD C 30.358 . 1 658 59 97 LYS N N 121.063 . 1 659 60 98 LEU H H 7.915 . 1 660 60 98 LEU HA H 3.260 . 1 661 60 98 LEU HB2 H 1.530 . 1 662 60 98 LEU HB3 H 1.530 . 1 663 60 98 LEU HD1 H 0.710 . 2 664 60 98 LEU HD2 H 0.630 . 2 665 60 98 LEU C C 174.047 . 1 666 60 98 LEU CA C 54.958 . 1 667 60 98 LEU CB C 39.111 . 1 668 60 98 LEU CD1 C 24.455 . 1 669 60 98 LEU CD2 C 27.325 . 1 670 60 98 LEU N N 118.573 . 1 671 61 99 LEU H H 8.261 . 1 672 61 99 LEU HA H 3.660 . 1 673 61 99 LEU HB2 H 1.600 . 2 674 61 99 LEU HB3 H 1.360 . 2 675 61 99 LEU HD1 H 0.980 . 2 676 61 99 LEU CA C 55.590 . 1 677 61 99 LEU CB C 38.269 . 1 678 61 99 LEU CD1 C 23.495 . 2 679 61 99 LEU CD2 C 23.550 . 1 680 61 99 LEU N N 115.787 . 1 681 62 100 LYS H H 7.698 . 1 682 62 100 LYS HA H 3.990 . 1 683 62 100 LYS HB2 H 1.825 . 1 684 62 100 LYS HB3 H 1.825 . 1 685 62 100 LYS HG2 H 1.436 . 1 686 62 100 LYS HG3 H 1.436 . 1 687 62 100 LYS HD2 H 1.552 . 1 688 62 100 LYS HD3 H 1.552 . 1 689 62 100 LYS HE2 H 2.853 . 1 690 62 100 LYS HE3 H 2.853 . 1 691 62 100 LYS C C 176.268 . 1 692 62 100 LYS CA C 59.394 . 1 693 62 100 LYS CB C 32.502 . 1 694 62 100 LYS CG C 25.067 . 1 695 62 100 LYS CD C 29.704 . 1 696 62 100 LYS CE C 42.018 . 1 697 62 100 LYS N N 121.719 . 1 698 63 101 ALA H H 8.024 . 1 699 63 101 ALA HA H 4.040 . 1 700 63 101 ALA HB H 1.423 . 1 701 63 101 ALA C C 177.374 . 1 702 63 101 ALA CA C 54.991 . 1 703 63 101 ALA CB C 19.012 . 1 704 63 101 ALA N N 123.432 . 1 705 64 102 PHE H H 9.756 . 1 706 64 102 PHE HA H 3.270 . 1 707 64 102 PHE HB2 H 3.274 . 2 708 64 102 PHE HD1 H 7.080 . 3 709 64 102 PHE HE1 H 7.100 . 3 710 64 102 PHE HZ H 6.770 . 1 711 64 102 PHE C C 175.729 . 1 712 64 102 PHE CA C 57.001 . 1 713 64 102 PHE CB C 36.748 . 1 714 64 102 PHE N N 116.952 . 1 715 65 103 GLY H H 8.114 . 1 716 65 103 GLY HA2 H 4.004 . 2 717 65 103 GLY HA3 H 3.809 . 2 718 65 103 GLY C C 173.977 . 1 719 65 103 GLY CA C 47.460 . 1 720 65 103 GLY N N 104.543 . 1 721 66 104 ILE H H 7.439 . 1 722 66 104 ILE HA H 4.000 . 1 723 66 104 ILE HB H 2.067 . 1 724 66 104 ILE HG12 H 1.100 . 1 725 66 104 ILE HG13 H 1.800 . 1 726 66 104 ILE HG2 H 0.712 . 1 727 66 104 ILE HD1 H 0.780 . 1 728 66 104 ILE C C 174.640 . 1 729 66 104 ILE CA C 64.856 . 1 730 66 104 ILE CB C 37.885 . 1 731 66 104 ILE CG1 C 29.087 . 2 732 66 104 ILE CG2 C 17.279 . 1 733 66 104 ILE CD1 C 14.030 . 1 734 66 104 ILE N N 123.431 . 1 735 67 105 VAL H H 7.891 . 1 736 67 105 VAL HA H 3.371 . 1 737 67 105 VAL HB H 2.262 . 1 738 67 105 VAL HG1 H 1.160 . 2 739 67 105 VAL HG2 H 0.943 . 2 740 67 105 VAL C C 175.246 . 1 741 67 105 VAL CA C 67.685 . 1 742 67 105 VAL CB C 31.142 . 1 743 67 105 VAL CG1 C 22.894 . 1 744 67 105 VAL CG2 C 24.108 . 1 745 67 105 VAL N N 119.664 . 1 746 68 106 ILE H H 9.278 . 1 747 68 106 ILE HA H 3.387 . 1 748 68 106 ILE HB H 1.749 . 1 749 68 106 ILE HG12 H 1.471 . 1 750 68 106 ILE HG13 H 0.078 . 1 751 68 106 ILE HG2 H 0.971 . 1 752 68 106 ILE HD1 H 0.580 . 1 753 68 106 ILE C C 174.603 . 1 754 68 106 ILE CA C 66.660 . 1 755 68 106 ILE CB C 38.854 . 1 756 68 106 ILE CG1 C 29.935 . 2 757 68 106 ILE CG2 C 17.284 . 1 758 68 106 ILE CD1 C 13.677 . 1 759 68 106 ILE N N 119.990 . 1 760 69 107 ASP H H 7.612 . 1 761 69 107 ASP HA H 4.423 . 1 762 69 107 ASP HB2 H 3.095 . 2 763 69 107 ASP HB3 H 2.929 . 2 764 69 107 ASP CA C 57.618 . 1 765 69 107 ASP CB C 41.919 . 1 766 69 107 ASP N N 118.468 . 1 767 70 108 TYR H H 8.244 . 1 768 70 108 TYR HA H 3.970 . 1 769 70 108 TYR HB2 H 3.264 . 2 770 70 108 TYR HB3 H 2.674 . 2 771 70 108 TYR HD1 H 7.200 . 3 772 70 108 TYR HE1 H 6.700 . 3 773 70 108 TYR C C 175.318 . 1 774 70 108 TYR CA C 62.532 . 1 775 70 108 TYR CB C 38.107 . 1 776 70 108 TYR CD1 C 133.800 . 3 777 70 108 TYR CE1 C 118.631 . 3 778 70 108 TYR N N 118.823 . 1 779 71 109 LYS H H 9.348 . 1 780 71 109 LYS HA H 4.180 . 1 781 71 109 LYS HB2 H 2.135 . 2 782 71 109 LYS HB3 H 2.400 . 2 783 71 109 LYS HG2 H 1.930 . 2 784 71 109 LYS HG3 H 1.780 . 2 785 71 109 LYS HD2 H 1.965 . 2 786 71 109 LYS HD3 H 1.479 . 2 787 71 109 LYS HE2 H 3.135 . 1 788 71 109 LYS HE3 H 3.135 . 1 789 71 109 LYS C C 178.059 . 1 790 71 109 LYS CA C 60.483 . 1 791 71 109 LYS CB C 33.720 . 1 792 71 109 LYS CG C 24.374 . 1 793 71 109 LYS CD C 30.637 . 1 794 71 109 LYS CE C 42.457 . 1 795 71 109 LYS N N 122.944 . 1 796 72 110 GLU H H 9.350 . 1 797 72 110 GLU HA H 4.160 . 1 798 72 110 GLU HB2 H 2.158 . 2 799 72 110 GLU HB3 H 2.300 . 2 800 72 110 GLU HG2 H 2.437 . 2 801 72 110 GLU HG3 H 2.742 . 2 802 72 110 GLU C C 176.162 . 1 803 72 110 GLU CA C 59.260 . 1 804 72 110 GLU CB C 28.780 . 1 805 72 110 GLU CG C 37.082 . 1 806 72 110 GLU N N 121.228 . 1 807 73 111 ARG H H 7.632 . 1 808 73 111 ARG HA H 4.300 . 1 809 73 111 ARG HB2 H 1.969 . 1 810 73 111 ARG HB3 H 1.969 . 1 811 73 111 ARG HG2 H 1.943 . 2 812 73 111 ARG HG3 H 1.575 . 2 813 73 111 ARG HD2 H 3.080 . 1 814 73 111 ARG HD3 H 3.080 . 1 815 73 111 ARG HE H 7.315 . 1 816 73 111 ARG C C 171.691 . 1 817 73 111 ARG CA C 56.650 . 1 818 73 111 ARG CB C 31.144 . 1 819 73 111 ARG CG C 28.194 . 1 820 73 111 ARG CD C 44.231 . 1 821 73 111 ARG N N 117.225 . 1 822 73 111 ARG NE N 85.540 . 1 823 74 112 ASP H H 8.198 . 1 824 74 112 ASP HA H 4.620 . 1 825 74 112 ASP HB2 H 3.240 . 2 826 74 112 ASP HB3 H 2.422 . 2 827 74 112 ASP C C 173.310 . 1 828 74 112 ASP CA C 54.782 . 1 829 74 112 ASP CB C 39.763 . 1 830 74 112 ASP N N 119.093 . 1 831 75 113 LEU H H 8.557 . 1 832 75 113 LEU HA H 4.439 . 1 833 75 113 LEU HB2 H 1.514 . 2 834 75 113 LEU HB3 H 1.300 . 2 835 75 113 LEU HG H 1.328 . 1 836 75 113 LEU HD1 H 0.712 . 4 837 75 113 LEU HD2 H 0.291 . 4 838 75 113 LEU C C 174.804 . 1 839 75 113 LEU CA C 54.318 . 1 840 75 113 LEU CB C 43.564 . 1 841 75 113 LEU CG C 25.826 . 1 842 75 113 LEU CD1 C 22.055 . 1 843 75 113 LEU CD2 C 24.599 . 1 844 75 113 LEU N N 115.187 . 1 845 76 114 ILE H H 7.517 . 1 846 76 114 ILE HA H 4.280 . 1 847 76 114 ILE HB H 1.950 . 1 848 76 114 ILE HG12 H 1.660 . 1 849 76 114 ILE HG13 H 1.660 . 1 850 76 114 ILE HG2 H 0.716 . 1 851 76 114 ILE HD1 H 0.825 . 1 852 76 114 ILE C C 173.815 . 1 853 76 114 ILE CA C 61.146 . 1 854 76 114 ILE CB C 38.346 . 1 855 76 114 ILE CG1 C 29.824 . 2 856 76 114 ILE CG2 C 16.551 . 1 857 76 114 ILE CD1 C 14.254 . 1 858 76 114 ILE N N 120.524 . 1 859 77 115 ASP H H 9.464 . 1 860 77 115 ASP HA H 4.400 . 1 861 77 115 ASP HB2 H 2.807 . 2 862 77 115 ASP HB3 H 2.552 . 2 863 77 115 ASP C C 174.249 . 1 864 77 115 ASP CA C 55.997 . 1 865 77 115 ASP CB C 43.790 . 1 866 77 115 ASP N N 131.522 . 1 867 78 116 ARG H H 8.840 . 1 868 78 116 ARG HA H 4.330 . 1 869 78 116 ARG HB2 H 2.035 . 1 870 78 116 ARG HB3 H 2.035 . 1 871 78 116 ARG HG2 H 1.890 . 1 872 78 116 ARG HG3 H 1.890 . 1 873 78 116 ARG HD2 H 3.210 . 2 874 78 116 ARG HD3 H 3.168 . 2 875 78 116 ARG HE H 7.252 . 1 876 78 116 ARG C C 175.659 . 1 877 78 116 ARG CA C 58.248 . 1 878 78 116 ARG CB C 29.167 . 1 879 78 116 ARG CG C 26.330 . 1 880 78 116 ARG CD C 42.428 . 1 881 78 116 ARG N N 120.524 . 1 882 78 116 ARG NE N 82.494 . 1 883 79 117 SER H H 9.087 . 1 884 79 117 SER HA H 4.430 . 1 885 79 117 SER HB2 H 3.969 . 2 886 79 117 SER HB3 H 4.000 . 2 887 79 117 SER C C 172.538 . 1 888 79 117 SER CA C 60.794 . 1 889 79 117 SER CB C 63.103 . 1 890 79 117 SER N N 116.017 . 1 891 80 118 ALA H H 8.410 . 1 892 80 118 ALA HA H 4.135 . 1 893 80 118 ALA HB H 1.107 . 1 894 80 118 ALA C C 174.299 . 1 895 80 118 ALA CA C 54.154 . 1 896 80 118 ALA CB C 19.848 . 1 897 80 118 ALA N N 122.761 . 1 898 81 119 TYR H H 7.695 . 1 899 81 119 TYR HA H 4.363 . 1 900 81 119 TYR HB2 H 3.013 . 2 901 81 119 TYR HB3 H 3.188 . 2 902 81 119 TYR HD1 H 7.330 . 3 903 81 119 TYR HE1 H 6.730 . 3 904 81 119 TYR CA C 61.461 . 1 905 81 119 TYR CB C 39.093 . 1 906 81 119 TYR CD1 C 133.812 . 3 907 81 119 TYR N N 123.260 . 1 stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 5'-R(*GP*GP*AP*GP*GP*CP*UP*CP*UP*GP*GP*CP*AP*GP*CP*UP*UP*UP*C)-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 . 8 C H5 H 5.890 . 2 2 . 8 C H6 H 7.470 . 2 3 . 8 C H1' H 5.800 . 1 4 . 8 C H2' H 4.330 . 1 5 . 8 C H3' H 4.980 . 1 6 . 8 C H4' H 4.430 . 1 7 . 8 C H5' H 4.090 . 1 8 . 8 C H5'' H 4.420 . 1 9 . 9 U H5 H 5.980 . 1 10 . 9 U H6 H 8.130 . 1 11 . 9 U H1' H 6.130 . 1 12 . 9 U H2' H 4.560 . 1 13 . 9 U H3' H 4.620 . 1 14 . 9 U H4' H 3.780 . 1 15 . 9 U H5' H 3.750 . 1 16 . 9 U H5'' H 3.930 . 1 17 . 10 G H8 H 7.980 . 2 18 . 10 G H21 H 7.060 . 4 19 . 10 G H22 H 6.770 . 4 20 . 10 G H1 H 11.120 . 2 21 . 10 G H1' H 5.020 . 1 22 . 10 G H2' H 4.690 . 1 23 . 10 G H3' H 4.310 . 1 24 . 10 G H4' H 3.460 . 1 25 . 10 G H5' H 3.760 . 1 26 . 10 G H5'' H 4.330 . 1 27 . 11 G H8 H 7.770 . 2 28 . 11 G H1' H 5.830 . 1 29 . 11 G H2' H 5.010 . 1 30 . 11 G H3' H 5.080 . 1 31 . 11 G H4' H 4.340 . 1 32 . 11 G H5' H 3.740 . 1 33 . 11 G H5'' H 4.340 . 1 stop_ save_