data_19609 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Protein-RNA Ternary Complex ; _BMRB_accession_number 19609 _BMRB_flat_file_name bmr19609.str _Entry_type original _Submission_date 2013-11-12 _Accession_date 2013-11-20 _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 Takahashi Mari . . 2 Kuwasako Kanako . . 3 Unzai Satoru . . 4 Tsuda Kengo . . 5 Yoshikawa Seiko . . 6 He Fahu . . 7 Kobayashi Naohiro . . 8 Guntert Peter . . 9 Shirouzu Mikako . . 10 Ito Takuhiro . . 11 Tanaka Akiko . . 12 Yokoyama Shigeyuki . . 13 Hagiwara Masatoshi . . 14 Kuroyanagi Hidehito . . 15 Muto Yutaka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 987 "13C chemical shifts" 575 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-08-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11541 'Protein-RNA Complex' stop_ _Original_release_date 2014-08-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Protein-RNA Ternary Complex' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kuwasako Kanako . . 2 Takahashi Mari . . 3 Unzai Satoru . . 4 Tsuda Kengo . . 5 Yoshikawa Seiko . . 6 He Fahu . . 7 Kobayashi Naohiro . . 8 Guntert Peter . . 9 Shirouzu Mikako . . 10 Ito Takuhiro . . 11 Tanaka Akiko . . 12 Yokoyama Shigeyuki . . 13 Hagiwara Masatoshi . . 14 Kuroyanagi Hidehito . . 15 Muto Yutaka . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein-RNA Ternary Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 RNA $RNA 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10588.121 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GDGPRRLHVSNIPFKYREPD LTAMFEKVGPVVDVEIIFNE RGSKGFGFVTMQNPDDADRA RAEFNGTTIEGRRVEVNLAT QRVHNKKAKPLMSV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 96 GLY 2 97 ASP 3 98 GLY 4 99 PRO 5 100 ARG 6 101 ARG 7 102 LEU 8 103 HIS 9 104 VAL 10 105 SER 11 106 ASN 12 107 ILE 13 108 PRO 14 109 PHE 15 110 LYS 16 111 TYR 17 112 ARG 18 113 GLU 19 114 PRO 20 115 ASP 21 116 LEU 22 117 THR 23 118 ALA 24 119 MET 25 120 PHE 26 121 GLU 27 122 LYS 28 123 VAL 29 124 GLY 30 125 PRO 31 126 VAL 32 127 VAL 33 128 ASP 34 129 VAL 35 130 GLU 36 131 ILE 37 132 ILE 38 133 PHE 39 134 ASN 40 135 GLU 41 136 ARG 42 137 GLY 43 138 SER 44 139 LYS 45 140 GLY 46 141 PHE 47 142 GLY 48 143 PHE 49 144 VAL 50 145 THR 51 146 MET 52 147 GLN 53 148 ASN 54 149 PRO 55 150 ASP 56 151 ASP 57 152 ALA 58 153 ASP 59 154 ARG 60 155 ALA 61 156 ARG 62 157 ALA 63 158 GLU 64 159 PHE 65 160 ASN 66 161 GLY 67 162 THR 68 163 THR 69 164 ILE 70 165 GLU 71 166 GLY 72 167 ARG 73 168 ARG 74 169 VAL 75 170 GLU 76 171 VAL 77 172 ASN 78 173 LEU 79 174 ALA 80 175 THR 81 176 GLN 82 177 ARG 83 178 VAL 84 179 HIS 85 180 ASN 86 181 LYS 87 182 LYS 88 183 ALA 89 184 LYS 90 185 PRO 91 186 LEU 92 187 MET 93 188 SER 94 189 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 19680 ASD-1 86.17 99 100.00 100.00 5.92e-51 BMRB 19686 ASD-1 86.17 99 100.00 100.00 5.92e-51 PDB 2MGZ "Solution Structure Of Rbfox Family Asd-1 Rrm And Sup-12 Rrm In Ternary Complex With Rna" 100.00 94 100.00 100.00 6.04e-61 EMBL CAA85276 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 98.94 404 100.00 100.00 4.16e-57 EMBL CAD82915 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 75.53 286 100.00 100.00 5.53e-41 EMBL CCU83325 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 98.94 379 100.00 100.00 3.50e-57 GB ABF22491 "RNA-binding protein ASD-1 [Caenorhabditis elegans]" 98.94 404 100.00 100.00 4.16e-57 REF NP_001293646 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 98.94 379 100.00 100.00 3.50e-57 REF NP_497841 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 98.94 404 100.00 100.00 4.16e-57 REF NP_871667 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 75.53 286 100.00 100.00 5.53e-41 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 11611.109 _Mol_thiol_state unknown _Details . _Residue_count 105 _Mol_residue_sequence ; GSTNAEPVVGSRDTMFTKIF VGGLPYHTSDKTLHEYFEQF GDIEEAVVITDRNTQKSRGY GFVTMKDRASAERACKDPNP IIDGRKANVNLAYLGAKPRT NVQLA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 GLY 2 20 SER 3 21 THR 4 22 ASN 5 23 ALA 6 24 GLU 7 25 PRO 8 26 VAL 9 27 VAL 10 28 GLY 11 29 SER 12 30 ARG 13 31 ASP 14 32 THR 15 33 MET 16 34 PHE 17 35 THR 18 36 LYS 19 37 ILE 20 38 PHE 21 39 VAL 22 40 GLY 23 41 GLY 24 42 LEU 25 43 PRO 26 44 TYR 27 45 HIS 28 46 THR 29 47 SER 30 48 ASP 31 49 LYS 32 50 THR 33 51 LEU 34 52 HIS 35 53 GLU 36 54 TYR 37 55 PHE 38 56 GLU 39 57 GLN 40 58 PHE 41 59 GLY 42 60 ASP 43 61 ILE 44 62 GLU 45 63 GLU 46 64 ALA 47 65 VAL 48 66 VAL 49 67 ILE 50 68 THR 51 69 ASP 52 70 ARG 53 71 ASN 54 72 THR 55 73 GLN 56 74 LYS 57 75 SER 58 76 ARG 59 77 GLY 60 78 TYR 61 79 GLY 62 80 PHE 63 81 VAL 64 82 THR 65 83 MET 66 84 LYS 67 85 ASP 68 86 ARG 69 87 ALA 70 88 SER 71 89 ALA 72 90 GLU 73 91 ARG 74 92 ALA 75 93 CYS 76 94 LYS 77 95 ASP 78 96 PRO 79 97 ASN 80 98 PRO 81 99 ILE 82 100 ILE 83 101 ASP 84 102 GLY 85 103 ARG 86 104 LYS 87 105 ALA 88 106 ASN 89 107 VAL 90 108 ASN 91 109 LEU 92 110 ALA 93 111 TYR 94 112 LEU 95 113 GLY 96 114 ALA 97 115 LYS 98 116 PRO 99 117 ARG 100 118 THR 101 119 ASN 102 120 VAL 103 121 GLN 104 122 LEU 105 123 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 11541 entity_1 98.10 103 100.00 100.00 5.82e-70 BMRB 18845 SUP-12 90.48 97 98.95 100.00 2.15e-63 BMRB 18846 SUP-12 90.48 97 98.95 100.00 2.15e-63 BMRB 19653 PROTEIN_SUP-12_ISOFORM_B 90.48 97 98.95 100.00 2.15e-63 PDB 2MGZ "Solution Structure Of Rbfox Family Asd-1 Rrm And Sup-12 Rrm In Ternary Complex With Rna" 100.00 105 100.00 100.00 1.77e-71 PDB 2RU3 "Solution Structure Of C.elegans Sup-12 Rrm In Complex With Rna" 98.10 103 100.00 100.00 5.82e-70 PDB 4CH0 "Rrm Domain From C. Elegans Sup-12" 90.48 97 98.95 100.00 2.15e-63 PDB 4CH1 "Rrm Domain From C. Elegans Sup-12 Bound To Ggtgtgc Dna" 90.48 97 98.95 100.00 2.15e-63 PDB 4CIO "Rrm Domain From C. Elegans Sup-12 Bound To Ggugugc Rna" 90.48 97 98.95 100.00 2.15e-63 EMBL CCD71425 "Protein SUP-12, isoform a [Caenorhabditis elegans]" 99.05 248 100.00 100.00 1.36e-70 EMBL CCD71429 "Protein SUP-12, isoform b [Caenorhabditis elegans]" 99.05 151 100.00 100.00 5.55e-71 GB EFO82252 "CRE-SUP-12 protein [Caenorhabditis remanei]" 99.05 246 97.12 99.04 1.47e-68 GB EGT29982 "CBN-SUP-12 protein [Caenorhabditis brenneri]" 99.05 243 98.08 100.00 2.97e-69 GB ETN82682 "hypothetical protein NECAME_01967 [Necator americanus]" 93.33 254 96.94 98.98 3.40e-63 GB KHJ75674 "hypothetical protein OESDEN_24710 [Oesophagostomum dentatum]" 93.33 220 96.94 98.98 8.33e-64 GB KIH66793 "hypothetical protein ANCDUO_02881 [Ancylostoma duodenale]" 86.67 170 97.80 98.90 8.81e-59 REF NP_001129938 "Protein SUP-12, isoform b [Caenorhabditis elegans]" 99.05 151 100.00 100.00 5.55e-71 REF NP_508674 "Protein SUP-12, isoform a [Caenorhabditis elegans]" 99.05 248 100.00 100.00 1.36e-70 REF XP_003117654 "CRE-SUP-12 protein [Caenorhabditis remanei]" 99.05 246 97.12 99.04 1.47e-68 REF XP_006219866 "PREDICTED: RNA-binding protein 24-B-like [Vicugna pacos]" 93.33 249 96.94 98.98 1.16e-63 stop_ save_ save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence UGCAUGGUGUGC loop_ _Residue_seq_code _Residue_label 1 U 2 G 3 C 4 A 5 U 6 G 7 G 8 U 9 G 10 U 11 G 12 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 $entity_1 nematode 6239 Eukaryota Metazoa Caenorhabditis elegans $entity_2 nematode 6239 Eukaryota Metazoa Caenorhabditis elegans stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' 'E. coli' . . . pGEX6p-1 $entity_2 'recombinant technology' 'E. coli' . . . pET-15b $RNA 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 20mMd-Tris-HCl(pH7.0),100mMNaCl,1mMd-DTT,0.02%NaN3 loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-99% 13C; U-99% 15N]' $entity_2 0.7 mM '[U-99% 13C; U-99% 15N]' RNA 0.7 mM 'natural abundance' H2O 90 % . D2O 10 % . d-Tris-HCl 20 mM . NaCl 100 mM 'natural abundance' d-DTT 1 mM . NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'The cryo probe is equipped with to this spectrometer' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'The cryo probe is equipped with to t' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6 1 pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C 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 entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 98 3 GLY HA2 H 4.168 0.030 2 2 98 3 GLY HA3 H 4.128 0.030 2 3 98 3 GLY CA C 44.931 0.300 1 4 99 4 PRO HA H 4.513 0.030 1 5 99 4 PRO HB2 H 1.976 0.030 2 6 99 4 PRO HB3 H 2.361 0.030 2 7 99 4 PRO HG2 H 2.100 0.030 2 8 99 4 PRO HD2 H 3.714 0.030 2 9 99 4 PRO HD3 H 3.663 0.030 2 10 99 4 PRO CA C 63.485 0.300 1 11 99 4 PRO CB C 32.659 0.300 1 12 99 4 PRO CG C 27.539 0.300 1 13 99 4 PRO CD C 50.037 0.300 1 14 100 5 ARG H H 8.331 0.030 1 15 100 5 ARG HA H 4.460 0.030 1 16 100 5 ARG HB2 H 2.352 0.030 1 17 100 5 ARG HB3 H 2.352 0.030 1 18 100 5 ARG HG2 H 1.729 0.030 1 19 100 5 ARG HG3 H 1.729 0.030 1 20 100 5 ARG HD2 H 3.196 0.030 2 21 100 5 ARG HD3 H 3.339 0.030 2 22 100 5 ARG CA C 55.637 0.300 1 23 100 5 ARG CB C 32.580 0.300 1 24 100 5 ARG CG C 27.529 0.300 1 25 100 5 ARG CD C 43.451 0.300 1 26 100 5 ARG N N 118.149 0.300 1 27 101 6 ARG H H 8.141 0.030 1 28 101 6 ARG HA H 5.354 0.030 1 29 101 6 ARG HB2 H 2.006 0.030 2 30 101 6 ARG HB3 H 1.569 0.030 2 31 101 6 ARG CA C 55.209 0.300 1 32 101 6 ARG CB C 32.449 0.300 1 33 101 6 ARG N N 123.715 0.300 1 34 102 7 LEU H H 9.676 0.030 1 35 102 7 LEU HA H 5.123 0.030 1 36 102 7 LEU HB2 H 1.653 0.030 2 37 102 7 LEU HB3 H 1.388 0.030 2 38 102 7 LEU HG H 0.997 0.030 1 39 102 7 LEU HD1 H 0.882 0.030 1 40 102 7 LEU CA C 53.383 0.300 1 41 102 7 LEU CB C 44.490 0.300 1 42 102 7 LEU CG C 26.472 0.300 1 43 102 7 LEU CD1 C 23.577 0.300 1 44 102 7 LEU CD2 C 23.577 0.300 1 45 102 7 LEU N N 127.449 0.300 1 46 103 8 HIS H H 9.241 0.030 1 47 103 8 HIS HA H 4.663 0.030 1 48 103 8 HIS HB2 H 2.952 0.030 2 49 103 8 HIS HB3 H 2.598 0.030 2 50 103 8 HIS HD2 H 6.066 0.030 1 51 103 8 HIS HE1 H 7.285 0.030 1 52 103 8 HIS CA C 54.797 0.300 1 53 103 8 HIS CB C 34.468 0.300 1 54 103 8 HIS CD2 C 116.979 0.300 1 55 103 8 HIS CE1 C 137.705 0.300 1 56 103 8 HIS N N 124.012 0.300 1 57 104 9 VAL H H 8.358 0.030 1 58 104 9 VAL HA H 4.833 0.030 1 59 104 9 VAL HB H 1.613 0.030 1 60 104 9 VAL HG1 H 0.697 0.030 1 61 104 9 VAL HG2 H 0.754 0.030 1 62 104 9 VAL CA C 59.296 0.300 1 63 104 9 VAL CB C 33.455 0.300 1 64 104 9 VAL CG1 C 21.350 0.300 2 65 104 9 VAL CG2 C 20.805 0.300 2 66 104 9 VAL N N 126.821 0.300 1 67 105 10 SER H H 9.046 0.030 1 68 105 10 SER HB2 H 3.345 0.030 2 69 105 10 SER HB3 H 2.893 0.030 2 70 105 10 SER CB C 64.952 0.300 1 71 105 10 SER N N 118.141 0.300 1 72 106 11 ASN H H 7.597 0.030 1 73 106 11 ASN HB2 H 3.582 0.030 2 74 106 11 ASN HB3 H 2.307 0.030 2 75 106 11 ASN HD21 H 6.609 0.030 2 76 106 11 ASN HD22 H 7.891 0.030 2 77 106 11 ASN CB C 37.907 0.300 1 78 106 11 ASN N N 119.732 0.300 1 79 106 11 ASN ND2 N 110.598 0.300 1 80 107 12 ILE H H 7.231 0.030 1 81 107 12 ILE HA H 4.079 0.030 1 82 107 12 ILE HB H 1.495 0.030 1 83 107 12 ILE HG12 H 1.174 0.030 2 84 107 12 ILE HG13 H 0.665 0.030 2 85 107 12 ILE HG2 H 0.656 0.030 1 86 107 12 ILE HD1 H 0.676 0.030 1 87 107 12 ILE CA C 59.406 0.300 1 88 107 12 ILE CB C 36.562 0.300 1 89 107 12 ILE CG1 C 24.743 0.300 1 90 107 12 ILE CG2 C 19.015 0.300 1 91 107 12 ILE CD1 C 14.172 0.300 1 92 107 12 ILE N N 107.285 0.300 1 93 108 13 PRO HA H 4.539 0.030 1 94 108 13 PRO HB2 H 1.452 0.030 2 95 108 13 PRO HB3 H 2.588 0.030 2 96 108 13 PRO HG2 H 1.606 0.030 2 97 108 13 PRO HG3 H 1.280 0.030 2 98 108 13 PRO HD2 H 3.217 0.030 2 99 108 13 PRO HD3 H 2.068 0.030 2 100 108 13 PRO CA C 63.442 0.300 1 101 108 13 PRO CB C 32.344 0.300 1 102 108 13 PRO CG C 28.406 0.300 1 103 108 13 PRO CD C 50.094 0.300 1 104 109 14 PHE H H 9.234 0.030 1 105 109 14 PHE HA H 4.560 0.030 1 106 109 14 PHE HB2 H 2.956 0.030 2 107 109 14 PHE HB3 H 3.325 0.030 2 108 109 14 PHE HD1 H 6.706 0.030 1 109 109 14 PHE HD2 H 6.706 0.030 1 110 109 14 PHE HE1 H 6.421 0.030 1 111 109 14 PHE HE2 H 6.421 0.030 1 112 109 14 PHE CA C 57.421 0.300 1 113 109 14 PHE CB C 37.245 0.300 1 114 109 14 PHE CD1 C 128.499 0.300 1 115 109 14 PHE CD2 C 128.499 0.300 1 116 109 14 PHE CE1 C 129.915 0.300 1 117 109 14 PHE CE2 C 129.915 0.300 1 118 109 14 PHE N N 128.596 0.300 1 119 110 15 LYS H H 8.444 0.030 1 120 110 15 LYS HA H 4.379 0.030 1 121 110 15 LYS HB2 H 2.070 0.030 2 122 110 15 LYS HB3 H 1.983 0.030 2 123 110 15 LYS HG2 H 1.546 0.030 1 124 110 15 LYS HG3 H 1.546 0.030 1 125 110 15 LYS HD2 H 1.988 0.030 1 126 110 15 LYS HD3 H 1.988 0.030 1 127 110 15 LYS HE2 H 3.073 0.030 2 128 110 15 LYS CA C 57.280 0.300 1 129 110 15 LYS CB C 32.463 0.300 1 130 110 15 LYS CG C 24.959 0.300 1 131 110 15 LYS CD C 29.267 0.300 1 132 110 15 LYS CE C 42.091 0.300 1 133 110 15 LYS N N 112.574 0.300 1 134 111 16 TYR H H 7.690 0.030 1 135 111 16 TYR HA H 4.538 0.030 1 136 111 16 TYR HB2 H 2.622 0.030 2 137 111 16 TYR HB3 H 3.572 0.030 2 138 111 16 TYR HD1 H 6.766 0.030 1 139 111 16 TYR HD2 H 6.766 0.030 1 140 111 16 TYR HE1 H 6.754 0.030 1 141 111 16 TYR HE2 H 6.754 0.030 1 142 111 16 TYR CA C 58.463 0.300 1 143 111 16 TYR CB C 37.411 0.300 1 144 111 16 TYR CD1 C 129.881 0.300 1 145 111 16 TYR CD2 C 129.881 0.300 1 146 111 16 TYR CE1 C 118.322 0.300 1 147 111 16 TYR CE2 C 118.322 0.300 1 148 111 16 TYR N N 120.165 0.300 1 149 112 17 ARG H H 9.882 0.030 1 150 112 17 ARG HA H 4.887 0.030 1 151 112 17 ARG HB2 H 1.951 0.030 2 152 112 17 ARG HB3 H 2.236 0.030 2 153 112 17 ARG HG2 H 1.904 0.030 1 154 112 17 ARG HG3 H 1.904 0.030 1 155 112 17 ARG HD2 H 3.615 0.030 2 156 112 17 ARG HD3 H 3.484 0.030 2 157 112 17 ARG HE H 7.187 0.030 1 158 112 17 ARG CA C 52.506 0.300 1 159 112 17 ARG CB C 33.376 0.300 1 160 112 17 ARG CG C 26.903 0.300 1 161 112 17 ARG CD C 42.617 0.300 1 162 112 17 ARG N N 124.342 0.300 1 163 112 17 ARG NE N 89.800 0.300 1 164 113 18 GLU H H 10.353 0.030 1 165 113 18 GLU HA H 3.875 0.030 1 166 113 18 GLU HB2 H 2.058 0.030 2 167 113 18 GLU HB3 H 1.991 0.030 2 168 113 18 GLU HG2 H 2.264 0.030 2 169 113 18 GLU HG3 H 2.603 0.030 2 170 113 18 GLU CA C 63.645 0.300 1 171 113 18 GLU CB C 28.642 0.300 1 172 113 18 GLU CG C 38.026 0.300 1 173 113 18 GLU N N 122.814 0.300 1 174 114 19 PRO HA H 4.340 0.030 1 175 114 19 PRO HB2 H 1.749 0.030 2 176 114 19 PRO HB3 H 2.365 0.030 2 177 114 19 PRO HG2 H 2.317 0.030 2 178 114 19 PRO HG3 H 1.983 0.030 2 179 114 19 PRO HD2 H 3.937 0.030 2 180 114 19 PRO HD3 H 3.566 0.030 2 181 114 19 PRO CA C 66.052 0.300 1 182 114 19 PRO CB C 31.295 0.300 1 183 114 19 PRO CG C 26.299 0.300 1 184 114 19 PRO CD C 51.439 0.300 1 185 115 20 ASP H H 7.312 0.030 1 186 115 20 ASP HA H 4.131 0.030 1 187 115 20 ASP HB2 H 2.123 0.030 2 188 115 20 ASP HB3 H 1.146 0.030 2 189 115 20 ASP CA C 56.891 0.300 1 190 115 20 ASP CB C 40.662 0.300 1 191 115 20 ASP N N 115.341 0.300 1 192 116 21 LEU H H 7.351 0.030 1 193 116 21 LEU HA H 4.291 0.030 1 194 116 21 LEU HB2 H 1.576 0.030 2 195 116 21 LEU HB3 H 1.659 0.030 2 196 116 21 LEU HG H 1.636 0.030 1 197 116 21 LEU HD1 H 0.820 0.030 1 198 116 21 LEU HD2 H 0.845 0.030 1 199 116 21 LEU CA C 57.248 0.300 1 200 116 21 LEU CB C 42.911 0.300 1 201 116 21 LEU CG C 27.276 0.300 1 202 116 21 LEU CD1 C 24.405 0.300 2 203 116 21 LEU CD2 C 25.377 0.300 2 204 116 21 LEU N N 118.958 0.300 1 205 117 22 THR H H 8.562 0.030 1 206 117 22 THR HA H 3.709 0.030 1 207 117 22 THR HB H 4.138 0.030 1 208 117 22 THR HG2 H 1.147 0.030 1 209 117 22 THR CA C 68.203 0.300 1 210 117 22 THR CB C 68.387 0.300 1 211 117 22 THR CG2 C 21.777 0.300 1 212 117 22 THR N N 116.885 0.300 1 213 118 23 ALA H H 7.693 0.030 1 214 118 23 ALA HA H 4.107 0.030 1 215 118 23 ALA HB H 1.428 0.030 1 216 118 23 ALA CA C 54.895 0.300 1 217 118 23 ALA CB C 18.128 0.300 1 218 118 23 ALA N N 120.404 0.300 1 219 119 24 MET H H 7.205 0.030 1 220 119 24 MET HA H 3.980 0.030 1 221 119 24 MET HB2 H 2.048 0.030 2 222 119 24 MET HB3 H 1.127 0.030 2 223 119 24 MET HG2 H 2.142 0.030 2 224 119 24 MET HG3 H 2.001 0.030 2 225 119 24 MET HE H 1.136 0.030 1 226 119 24 MET CA C 58.768 0.300 1 227 119 24 MET CB C 31.666 0.300 1 228 119 24 MET CG C 32.879 0.300 1 229 119 24 MET CE C 16.854 0.300 1 230 119 24 MET N N 115.378 0.300 1 231 120 25 PHE H H 7.920 0.030 1 232 120 25 PHE HA H 4.187 0.030 1 233 120 25 PHE HB2 H 3.067 0.030 2 234 120 25 PHE HB3 H 2.938 0.030 2 235 120 25 PHE HD1 H 7.642 0.030 1 236 120 25 PHE HD2 H 7.642 0.030 1 237 120 25 PHE HE1 H 7.155 0.030 1 238 120 25 PHE HE2 H 7.155 0.030 1 239 120 25 PHE HZ H 6.926 0.030 1 240 120 25 PHE CA C 62.616 0.300 1 241 120 25 PHE CB C 39.610 0.300 1 242 120 25 PHE CD1 C 131.810 0.300 1 243 120 25 PHE CD2 C 131.810 0.300 1 244 120 25 PHE CE1 C 130.650 0.300 1 245 120 25 PHE CE2 C 130.650 0.300 1 246 120 25 PHE CZ C 128.715 0.300 1 247 120 25 PHE N N 114.627 0.300 1 248 121 26 GLU H H 8.823 0.030 1 249 121 26 GLU HA H 5.015 0.030 1 250 121 26 GLU HB2 H 2.115 0.030 2 251 121 26 GLU HB3 H 1.995 0.030 2 252 121 26 GLU HG2 H 2.433 0.030 2 253 121 26 GLU HG3 H 2.542 0.030 2 254 121 26 GLU CA C 57.875 0.300 1 255 121 26 GLU CB C 29.052 0.300 1 256 121 26 GLU CG C 37.781 0.300 1 257 121 26 GLU N N 120.780 0.300 1 258 122 27 LYS H H 7.079 0.030 1 259 122 27 LYS HA H 4.095 0.030 1 260 122 27 LYS HB2 H 2.069 0.030 2 261 122 27 LYS HB3 H 1.958 0.030 2 262 122 27 LYS HG2 H 1.546 0.030 2 263 122 27 LYS HG3 H 1.801 0.030 2 264 122 27 LYS HD2 H 1.833 0.030 2 265 122 27 LYS HD3 H 1.776 0.030 2 266 122 27 LYS HE2 H 3.072 0.030 1 267 122 27 LYS HE3 H 3.072 0.030 1 268 122 27 LYS CA C 58.712 0.300 1 269 122 27 LYS CB C 32.766 0.300 1 270 122 27 LYS CG C 25.408 0.300 1 271 122 27 LYS CD C 29.118 0.300 1 272 122 27 LYS CE C 42.105 0.300 1 273 122 27 LYS N N 117.025 0.300 1 274 123 28 VAL H H 7.959 0.030 1 275 123 28 VAL HA H 3.951 0.030 1 276 123 28 VAL HB H 2.224 0.030 1 277 123 28 VAL HG1 H 0.915 0.030 1 278 123 28 VAL HG2 H 0.765 0.030 1 279 123 28 VAL CA C 64.175 0.300 1 280 123 28 VAL CB C 32.608 0.300 1 281 123 28 VAL CG1 C 21.814 0.300 2 282 123 28 VAL CG2 C 22.443 0.300 2 283 123 28 VAL N N 118.113 0.300 1 284 124 29 GLY H H 7.844 0.030 1 285 124 29 GLY HA2 H 4.079 0.030 1 286 124 29 GLY HA3 H 4.079 0.030 1 287 124 29 GLY CA C 45.457 0.300 1 288 124 29 GLY N N 106.693 0.300 1 289 125 30 PRO HA H 4.474 0.030 1 290 125 30 PRO HB2 H 1.810 0.030 2 291 125 30 PRO HB3 H 2.331 0.030 2 292 125 30 PRO HG2 H 2.098 0.030 2 293 125 30 PRO HG3 H 1.998 0.030 2 294 125 30 PRO HD2 H 3.591 0.030 2 295 125 30 PRO HD3 H 3.626 0.030 2 296 125 30 PRO CA C 63.567 0.300 1 297 125 30 PRO CB C 32.012 0.300 1 298 125 30 PRO CG C 27.951 0.300 1 299 125 30 PRO CD C 49.428 0.300 1 300 126 31 VAL H H 8.998 0.030 1 301 126 31 VAL HA H 4.411 0.030 1 302 126 31 VAL HB H 2.066 0.030 1 303 126 31 VAL HG1 H 1.185 0.030 1 304 126 31 VAL HG2 H 0.933 0.030 1 305 126 31 VAL CA C 61.781 0.300 1 306 126 31 VAL CB C 34.983 0.300 1 307 126 31 VAL CG1 C 22.724 0.300 2 308 126 31 VAL CG2 C 22.956 0.300 2 309 126 31 VAL N N 125.089 0.300 1 310 127 32 VAL H H 8.892 0.030 1 311 127 32 VAL HA H 4.289 0.030 1 312 127 32 VAL HB H 1.920 0.030 1 313 127 32 VAL HG1 H 0.904 0.030 1 314 127 32 VAL HG2 H 0.761 0.030 1 315 127 32 VAL CA C 62.660 0.300 1 316 127 32 VAL CB C 33.313 0.300 1 317 127 32 VAL CG1 C 21.195 0.300 2 318 127 32 VAL CG2 C 20.338 0.300 2 319 127 32 VAL N N 122.599 0.300 1 320 128 33 ASP H H 7.538 0.030 1 321 128 33 ASP HA H 4.872 0.030 1 322 128 33 ASP HB2 H 2.472 0.030 2 323 128 33 ASP HB3 H 2.766 0.030 2 324 128 33 ASP CA C 54.671 0.300 1 325 128 33 ASP CB C 44.799 0.300 1 326 128 33 ASP N N 117.391 0.300 1 327 129 34 VAL H H 8.028 0.030 1 328 129 34 VAL HA H 5.048 0.030 1 329 129 34 VAL HB H 1.936 0.030 1 330 129 34 VAL HG1 H 0.968 0.030 1 331 129 34 VAL CA C 60.702 0.300 1 332 129 34 VAL CB C 35.729 0.300 1 333 129 34 VAL CG1 C 21.888 0.300 2 334 129 34 VAL N N 119.253 0.300 1 335 130 35 GLU H H 8.897 0.030 1 336 130 35 GLU HA H 4.843 0.030 1 337 130 35 GLU HB2 H 2.151 0.030 2 338 130 35 GLU HB3 H 2.050 0.030 2 339 130 35 GLU HG2 H 2.212 0.030 2 340 130 35 GLU HG3 H 2.412 0.030 2 341 130 35 GLU CA C 55.968 0.300 1 342 130 35 GLU CB C 34.365 0.300 1 343 130 35 GLU CG C 36.092 0.300 1 344 130 35 GLU N N 124.078 0.300 1 345 131 36 ILE H H 9.006 0.030 1 346 131 36 ILE HA H 4.248 0.030 1 347 131 36 ILE HB H 1.730 0.030 1 348 131 36 ILE HG12 H 1.413 0.030 2 349 131 36 ILE HG13 H 0.884 0.030 2 350 131 36 ILE HG2 H 0.418 0.030 1 351 131 36 ILE HD1 H 0.653 0.030 1 352 131 36 ILE CA C 60.266 0.300 1 353 131 36 ILE CB C 39.516 0.300 1 354 131 36 ILE CG1 C 29.444 0.300 1 355 131 36 ILE CG2 C 17.261 0.300 1 356 131 36 ILE CD1 C 12.635 0.300 1 357 131 36 ILE N N 126.704 0.300 1 358 132 37 ILE H H 7.275 0.030 1 359 132 37 ILE HA H 4.427 0.030 1 360 132 37 ILE HB H 0.947 0.030 1 361 132 37 ILE HG12 H 1.369 0.030 2 362 132 37 ILE HG2 H 0.948 0.030 1 363 132 37 ILE HD1 H 0.934 0.030 1 364 132 37 ILE CA C 58.234 0.300 1 365 132 37 ILE CB C 34.617 0.300 1 366 132 37 ILE CG1 C 26.702 0.300 1 367 132 37 ILE CG2 C 18.628 0.300 1 368 132 37 ILE CD1 C 9.784 0.300 1 369 132 37 ILE N N 125.906 0.300 1 370 133 38 PHE H H 8.867 0.030 1 371 133 38 PHE HA H 5.127 0.030 1 372 133 38 PHE HB2 H 2.934 0.030 1 373 133 38 PHE HB3 H 2.934 0.030 1 374 133 38 PHE HD1 H 7.173 0.030 1 375 133 38 PHE HD2 H 7.173 0.030 1 376 133 38 PHE HE1 H 7.295 0.030 1 377 133 38 PHE HE2 H 7.295 0.030 1 378 133 38 PHE HZ H 7.179 0.030 1 379 133 38 PHE CA C 56.570 0.300 1 380 133 38 PHE CB C 43.963 0.300 1 381 133 38 PHE CD1 C 132.465 0.300 1 382 133 38 PHE CD2 C 132.465 0.300 1 383 133 38 PHE CE1 C 131.073 0.300 1 384 133 38 PHE CE2 C 131.073 0.300 1 385 133 38 PHE CZ C 129.019 0.300 1 386 133 38 PHE N N 125.133 0.300 1 387 134 39 ASN H H 9.105 0.030 1 388 134 39 ASN HB2 H 3.545 0.030 2 389 134 39 ASN HB3 H 3.030 0.030 2 390 134 39 ASN HD21 H 7.898 0.030 2 391 134 39 ASN HD22 H 8.984 0.030 2 392 134 39 ASN CB C 39.386 0.300 1 393 134 39 ASN N N 118.966 0.300 1 394 134 39 ASN ND2 N 115.357 0.300 1 395 135 40 GLU H H 9.586 0.030 1 396 135 40 GLU HA H 4.171 0.030 1 397 135 40 GLU HB2 H 2.127 0.030 2 398 135 40 GLU HB3 H 2.075 0.030 2 399 135 40 GLU HG2 H 2.387 0.030 2 400 135 40 GLU HG3 H 2.248 0.030 2 401 135 40 GLU CA C 59.300 0.300 1 402 135 40 GLU CB C 28.369 0.300 1 403 135 40 GLU CG C 35.901 0.300 1 404 135 40 GLU N N 119.141 0.300 1 405 136 41 ARG H H 7.758 0.030 1 406 136 41 ARG HA H 4.188 0.030 1 407 136 41 ARG HB2 H 1.740 0.030 2 408 136 41 ARG HB3 H 1.558 0.030 2 409 136 41 ARG HG2 H 1.558 0.030 1 410 136 41 ARG HG3 H 1.558 0.030 1 411 136 41 ARG HD2 H 3.059 0.030 2 412 136 41 ARG HD3 H 3.140 0.030 2 413 136 41 ARG HE H 6.739 0.030 1 414 136 41 ARG CA C 56.204 0.300 1 415 136 41 ARG CB C 31.270 0.300 1 416 136 41 ARG CG C 27.620 0.300 1 417 136 41 ARG CD C 43.848 0.300 1 418 136 41 ARG N N 117.307 0.300 1 419 136 41 ARG NE N 82.406 0.300 1 420 137 42 GLY H H 7.816 0.030 1 421 137 42 GLY HA2 H 4.150 0.030 2 422 137 42 GLY HA3 H 3.710 0.030 2 423 137 42 GLY CA C 43.258 0.300 1 424 137 42 GLY N N 106.555 0.300 1 425 138 43 SER H H 8.057 0.030 1 426 138 43 SER HA H 3.791 0.030 1 427 138 43 SER HB2 H 3.874 0.030 1 428 138 43 SER HB3 H 3.874 0.030 1 429 138 43 SER CA C 58.089 0.300 1 430 138 43 SER CB C 63.837 0.300 1 431 138 43 SER N N 115.272 0.300 1 432 139 44 LYS H H 9.306 0.030 1 433 139 44 LYS HA H 4.055 0.030 1 434 139 44 LYS HB2 H 0.955 0.030 2 435 139 44 LYS HB3 H 1.293 0.030 2 436 139 44 LYS HD2 H 1.791 0.030 2 437 139 44 LYS CA C 57.603 0.300 1 438 139 44 LYS CB C 31.008 0.300 1 439 139 44 LYS CD C 27.188 0.300 1 440 139 44 LYS N N 123.648 0.300 1 441 140 45 GLY H H 9.610 0.030 1 442 140 45 GLY HA2 H 3.338 0.030 2 443 140 45 GLY HA3 H 4.693 0.030 2 444 140 45 GLY CA C 46.310 0.300 1 445 140 45 GLY N N 107.255 0.300 1 446 141 46 PHE H H 7.390 0.030 1 447 141 46 PHE HA H 5.296 0.030 1 448 141 46 PHE HB2 H 3.152 0.030 2 449 141 46 PHE HB3 H 3.474 0.030 2 450 141 46 PHE HD1 H 6.939 0.030 1 451 141 46 PHE HD2 H 6.939 0.030 1 452 141 46 PHE HE1 H 7.378 0.030 1 453 141 46 PHE HE2 H 7.378 0.030 1 454 141 46 PHE HZ H 7.512 0.030 1 455 141 46 PHE CA C 55.133 0.300 1 456 141 46 PHE CB C 42.078 0.300 1 457 141 46 PHE CD1 C 132.233 0.300 1 458 141 46 PHE CD2 C 132.233 0.300 1 459 141 46 PHE CE1 C 131.717 0.300 1 460 141 46 PHE CE2 C 131.717 0.300 1 461 141 46 PHE CZ C 129.107 0.300 1 462 141 46 PHE N N 113.233 0.300 1 463 142 47 GLY H H 8.799 0.030 1 464 142 47 GLY HA2 H 3.996 0.030 2 465 142 47 GLY HA3 H 4.126 0.030 2 466 142 47 GLY CA C 45.739 0.300 1 467 142 47 GLY N N 105.380 0.300 1 468 143 48 PHE H H 9.154 0.030 1 469 143 48 PHE HA H 5.738 0.030 1 470 143 48 PHE HB2 H 2.643 0.030 2 471 143 48 PHE HB3 H 2.951 0.030 2 472 143 48 PHE HD1 H 6.857 0.030 1 473 143 48 PHE HD2 H 6.857 0.030 1 474 143 48 PHE HE1 H 7.292 0.030 1 475 143 48 PHE HE2 H 7.292 0.030 1 476 143 48 PHE HZ H 6.851 0.030 1 477 143 48 PHE CA C 56.132 0.300 1 478 143 48 PHE CB C 43.772 0.300 1 479 143 48 PHE CE1 C 130.603 0.300 1 480 143 48 PHE CE2 C 130.603 0.300 1 481 143 48 PHE CZ C 128.140 0.300 1 482 143 48 PHE N N 116.624 0.300 1 483 144 49 VAL H H 8.698 0.030 1 484 144 49 VAL HA H 4.708 0.030 1 485 144 49 VAL HB H 1.290 0.030 1 486 144 49 VAL HG1 H 0.275 0.030 1 487 144 49 VAL HG2 H 0.481 0.030 1 488 144 49 VAL CA C 60.236 0.300 1 489 144 49 VAL CB C 36.791 0.300 1 490 144 49 VAL CG1 C 20.843 0.300 2 491 144 49 VAL CG2 C 21.099 0.300 2 492 144 49 VAL N N 118.083 0.300 1 493 145 50 THR H H 9.328 0.030 1 494 145 50 THR HA H 4.857 0.030 1 495 145 50 THR HB H 3.987 0.030 1 496 145 50 THR HG2 H 1.102 0.030 1 497 145 50 THR CA C 61.926 0.300 1 498 145 50 THR CB C 69.087 0.300 1 499 145 50 THR CG2 C 23.459 0.300 1 500 145 50 THR N N 123.833 0.300 1 501 146 51 MET H H 8.761 0.030 1 502 146 51 MET HA H 5.092 0.030 1 503 146 51 MET HB2 H 2.692 0.030 2 504 146 51 MET HB3 H 1.882 0.030 2 505 146 51 MET HG2 H 2.343 0.030 2 506 146 51 MET HG3 H 2.524 0.030 2 507 146 51 MET HE H 2.014 0.030 1 508 146 51 MET CA C 53.115 0.300 1 509 146 51 MET CB C 31.079 0.300 1 510 146 51 MET CG C 32.435 0.300 1 511 146 51 MET CE C 16.351 0.300 1 512 146 51 MET N N 126.441 0.300 1 513 147 52 GLN H H 8.298 0.030 1 514 147 52 GLN HA H 3.786 0.030 1 515 147 52 GLN HB2 H 1.882 0.030 2 516 147 52 GLN HB3 H 2.027 0.030 2 517 147 52 GLN HG2 H 2.284 0.030 2 518 147 52 GLN HG3 H 2.234 0.030 2 519 147 52 GLN HE21 H 6.796 0.030 2 520 147 52 GLN HE22 H 7.465 0.030 2 521 147 52 GLN CA C 59.310 0.300 1 522 147 52 GLN CB C 29.689 0.300 1 523 147 52 GLN CG C 33.899 0.300 1 524 147 52 GLN N N 120.894 0.300 1 525 147 52 GLN NE2 N 111.209 0.300 1 526 148 53 ASN H H 9.156 0.030 1 527 148 53 ASN HA H 5.325 0.030 1 528 148 53 ASN HB2 H 3.017 0.030 2 529 148 53 ASN HB3 H 2.747 0.030 2 530 148 53 ASN HD21 H 7.234 0.030 2 531 148 53 ASN HD22 H 7.628 0.030 2 532 148 53 ASN CA C 49.605 0.300 1 533 148 53 ASN CB C 39.795 0.300 1 534 148 53 ASN N N 115.305 0.300 1 535 148 53 ASN ND2 N 114.329 0.300 1 536 149 54 PRO HA H 4.179 0.030 1 537 149 54 PRO HB2 H 2.265 0.030 2 538 149 54 PRO HB3 H 2.087 0.030 2 539 149 54 PRO HG2 H 2.177 0.030 2 540 149 54 PRO HG3 H 2.015 0.030 2 541 149 54 PRO HD2 H 4.070 0.030 2 542 149 54 PRO HD3 H 3.878 0.030 2 543 149 54 PRO CA C 65.539 0.300 1 544 149 54 PRO CB C 31.900 0.300 1 545 149 54 PRO CG C 27.653 0.300 1 546 149 54 PRO CD C 51.307 0.300 1 547 150 55 ASP H H 8.586 0.030 1 548 150 55 ASP HA H 4.471 0.030 1 549 150 55 ASP HB2 H 2.641 0.030 2 550 150 55 ASP HB3 H 2.743 0.030 2 551 150 55 ASP CA C 57.120 0.300 1 552 150 55 ASP CB C 39.704 0.300 1 553 150 55 ASP N N 117.574 0.300 1 554 151 56 ASP H H 7.575 0.030 1 555 151 56 ASP HA H 4.435 0.030 1 556 151 56 ASP HB2 H 2.461 0.030 2 557 151 56 ASP HB3 H 3.259 0.030 2 558 151 56 ASP CA C 56.654 0.300 1 559 151 56 ASP CB C 40.064 0.300 1 560 151 56 ASP N N 120.096 0.300 1 561 152 57 ALA H H 7.653 0.030 1 562 152 57 ALA HA H 4.265 0.030 1 563 152 57 ALA HB H 1.547 0.030 1 564 152 57 ALA CA C 55.823 0.300 1 565 152 57 ALA CB C 17.574 0.300 1 566 152 57 ALA N N 122.784 0.300 1 567 153 58 ASP H H 7.824 0.030 1 568 153 58 ASP HA H 4.427 0.030 1 569 153 58 ASP HB2 H 2.832 0.030 2 570 153 58 ASP HB3 H 2.761 0.030 2 571 153 58 ASP CA C 57.769 0.300 1 572 153 58 ASP CB C 40.692 0.300 1 573 153 58 ASP N N 118.245 0.300 1 574 154 59 ARG H H 7.959 0.030 1 575 154 59 ARG HA H 4.102 0.030 1 576 154 59 ARG HB2 H 1.835 0.030 2 577 154 59 ARG HB3 H 1.550 0.030 2 578 154 59 ARG HG2 H 1.891 0.030 1 579 154 59 ARG HG3 H 1.891 0.030 1 580 154 59 ARG HD2 H 3.277 0.030 1 581 154 59 ARG HD3 H 3.277 0.030 1 582 154 59 ARG HE H 7.495 0.030 1 583 154 59 ARG CA C 59.759 0.300 1 584 154 59 ARG CB C 28.258 0.300 1 585 154 59 ARG CG C 30.440 0.300 1 586 154 59 ARG CD C 43.536 0.300 1 587 154 59 ARG N N 120.435 0.300 1 588 154 59 ARG NE N 83.984 0.300 1 589 155 60 ALA H H 8.858 0.030 1 590 155 60 ALA HA H 3.785 0.030 1 591 155 60 ALA HB H 1.757 0.030 1 592 155 60 ALA CA C 55.053 0.300 1 593 155 60 ALA CB C 18.370 0.300 1 594 155 60 ALA N N 121.431 0.300 1 595 156 61 ARG H H 8.146 0.030 1 596 156 61 ARG HA H 3.871 0.030 1 597 156 61 ARG HB2 H 1.894 0.030 2 598 156 61 ARG HB3 H 2.120 0.030 2 599 156 61 ARG HG2 H 1.823 0.030 2 600 156 61 ARG HG3 H 1.566 0.030 2 601 156 61 ARG CA C 60.619 0.300 1 602 156 61 ARG CB C 30.148 0.300 1 603 156 61 ARG CG C 27.902 0.300 1 604 156 61 ARG N N 117.338 0.300 1 605 157 62 ALA H H 7.541 0.030 1 606 157 62 ALA HA H 4.107 0.030 1 607 157 62 ALA HB H 1.499 0.030 1 608 157 62 ALA CA C 54.837 0.300 1 609 157 62 ALA CB C 18.299 0.300 1 610 157 62 ALA N N 119.559 0.300 1 611 158 63 GLU H H 8.314 0.030 1 612 158 63 GLU HA H 3.900 0.030 1 613 158 63 GLU HB2 H 1.506 0.030 2 614 158 63 GLU HB3 H 1.197 0.030 2 615 158 63 GLU HG2 H 1.692 0.030 2 616 158 63 GLU HG3 H 1.747 0.030 2 617 158 63 GLU CA C 58.462 0.300 1 618 158 63 GLU CB C 29.845 0.300 1 619 158 63 GLU CG C 35.252 0.300 1 620 158 63 GLU N N 116.427 0.300 1 621 159 64 PHE H H 7.965 0.030 1 622 159 64 PHE HA H 4.934 0.030 1 623 159 64 PHE HB2 H 2.829 0.030 1 624 159 64 PHE HB3 H 2.829 0.030 1 625 159 64 PHE HD1 H 6.806 0.030 1 626 159 64 PHE HD2 H 6.806 0.030 1 627 159 64 PHE HE1 H 7.062 0.030 1 628 159 64 PHE HE2 H 7.062 0.030 1 629 159 64 PHE HZ H 6.808 0.030 1 630 159 64 PHE CA C 56.764 0.300 1 631 159 64 PHE CB C 41.036 0.300 1 632 159 64 PHE CD1 C 130.512 0.300 1 633 159 64 PHE CD2 C 130.512 0.300 1 634 159 64 PHE CE1 C 130.460 0.300 1 635 159 64 PHE CE2 C 130.460 0.300 1 636 159 64 PHE CZ C 130.469 0.300 1 637 159 64 PHE N N 111.556 0.300 1 638 160 65 ASN H H 8.261 0.030 1 639 160 65 ASN HA H 4.415 0.030 1 640 160 65 ASN HB2 H 3.266 0.030 2 641 160 65 ASN HB3 H 3.063 0.030 2 642 160 65 ASN HD21 H 7.144 0.030 2 643 160 65 ASN HD22 H 7.889 0.030 2 644 160 65 ASN CA C 56.979 0.300 1 645 160 65 ASN CB C 38.898 0.300 1 646 160 65 ASN N N 118.592 0.300 1 647 160 65 ASN ND2 N 115.258 0.300 1 648 161 66 GLY H H 9.155 0.030 1 649 161 66 GLY HA2 H 4.235 0.030 2 650 161 66 GLY HA3 H 3.590 0.030 2 651 161 66 GLY CA C 45.796 0.300 1 652 161 66 GLY N N 116.609 0.300 1 653 162 67 THR H H 7.699 0.030 1 654 162 67 THR HA H 4.460 0.030 1 655 162 67 THR HB H 4.289 0.030 1 656 162 67 THR HG2 H 1.291 0.030 1 657 162 67 THR CA C 62.036 0.300 1 658 162 67 THR CB C 70.557 0.300 1 659 162 67 THR CG2 C 21.863 0.300 1 660 162 67 THR N N 114.256 0.300 1 661 163 68 THR H H 8.315 0.030 1 662 163 68 THR HA H 4.995 0.030 1 663 163 68 THR HB H 3.858 0.030 1 664 163 68 THR HG2 H 0.902 0.030 1 665 163 68 THR CA C 61.829 0.300 1 666 163 68 THR CB C 69.578 0.300 1 667 163 68 THR CG2 C 21.263 0.300 1 668 163 68 THR N N 116.489 0.300 1 669 164 69 ILE H H 8.998 0.030 1 670 164 69 ILE HA H 4.217 0.030 1 671 164 69 ILE HB H 1.549 0.030 1 672 164 69 ILE HG12 H 1.331 0.030 2 673 164 69 ILE HG13 H 1.073 0.030 2 674 164 69 ILE HG2 H 0.743 0.030 1 675 164 69 ILE HD1 H 0.720 0.030 1 676 164 69 ILE CA C 60.122 0.300 1 677 164 69 ILE CB C 40.109 0.300 1 678 164 69 ILE CG1 C 26.664 0.300 1 679 164 69 ILE CG2 C 17.595 0.300 1 680 164 69 ILE CD1 C 12.852 0.300 1 681 164 69 ILE N N 127.196 0.300 1 682 165 70 GLU H H 9.315 0.030 1 683 165 70 GLU HA H 3.797 0.030 1 684 165 70 GLU HB2 H 1.818 0.030 2 685 165 70 GLU HB3 H 2.186 0.030 2 686 165 70 GLU HG2 H 2.241 0.030 1 687 165 70 GLU HG3 H 2.241 0.030 1 688 165 70 GLU CA C 56.875 0.300 1 689 165 70 GLU CB C 27.278 0.300 1 690 165 70 GLU CG C 36.410 0.300 1 691 165 70 GLU N N 125.704 0.300 1 692 166 71 GLY H H 8.202 0.030 1 693 166 71 GLY HA2 H 4.058 0.030 2 694 166 71 GLY HA3 H 3.458 0.030 2 695 166 71 GLY CA C 45.388 0.300 1 696 166 71 GLY N N 102.365 0.300 1 697 167 72 ARG H H 7.861 0.030 1 698 167 72 ARG HA H 4.391 0.030 1 699 167 72 ARG HB2 H 1.646 0.030 1 700 167 72 ARG HB3 H 1.646 0.030 1 701 167 72 ARG HG2 H 1.368 0.030 2 702 167 72 ARG HG3 H 1.171 0.030 2 703 167 72 ARG HD2 H 2.336 0.030 1 704 167 72 ARG HD3 H 2.336 0.030 1 705 167 72 ARG HE H 6.061 0.030 1 706 167 72 ARG CA C 54.852 0.300 1 707 167 72 ARG CB C 31.865 0.300 1 708 167 72 ARG CG C 27.486 0.300 1 709 167 72 ARG CD C 42.034 0.300 1 710 167 72 ARG N N 120.598 0.300 1 711 167 72 ARG NE N 79.909 0.300 1 712 168 73 ARG H H 8.461 0.030 1 713 168 73 ARG HA H 4.468 0.030 1 714 168 73 ARG HB2 H 1.565 0.030 1 715 168 73 ARG HB3 H 1.565 0.030 1 716 168 73 ARG HG2 H 1.355 0.030 2 717 168 73 ARG HG3 H 1.268 0.030 2 718 168 73 ARG HD2 H 3.107 0.030 1 719 168 73 ARG HD3 H 3.107 0.030 1 720 168 73 ARG HE H 6.606 0.030 1 721 168 73 ARG CA C 55.785 0.300 1 722 168 73 ARG CB C 29.623 0.300 1 723 168 73 ARG CG C 27.461 0.300 1 724 168 73 ARG CD C 43.363 0.300 1 725 168 73 ARG N N 123.576 0.300 1 726 168 73 ARG NE N 110.362 0.300 1 727 169 74 VAL H H 9.035 0.030 1 728 169 74 VAL HA H 4.344 0.030 1 729 169 74 VAL HB H 2.003 0.030 1 730 169 74 VAL HG1 H 0.728 0.030 1 731 169 74 VAL HG2 H 0.811 0.030 1 732 169 74 VAL CA C 61.923 0.300 1 733 169 74 VAL CB C 33.052 0.300 1 734 169 74 VAL CG1 C 21.597 0.300 2 735 169 74 VAL CG2 C 21.474 0.300 2 736 169 74 VAL N N 130.008 0.300 1 737 170 75 GLU H H 7.906 0.030 1 738 170 75 GLU HA H 4.889 0.030 1 739 170 75 GLU HB2 H 1.828 0.030 2 740 170 75 GLU HB3 H 1.619 0.030 2 741 170 75 GLU HG2 H 2.108 0.030 1 742 170 75 GLU HG3 H 2.108 0.030 1 743 170 75 GLU CA C 53.942 0.300 1 744 170 75 GLU CB C 32.415 0.300 1 745 170 75 GLU CG C 35.780 0.300 1 746 170 75 GLU N N 123.203 0.300 1 747 171 76 VAL H H 8.892 0.030 1 748 171 76 VAL HA H 5.113 0.030 1 749 171 76 VAL HB H 2.041 0.030 1 750 171 76 VAL HG1 H 1.105 0.030 1 751 171 76 VAL HG2 H 1.037 0.030 1 752 171 76 VAL CA C 61.259 0.300 1 753 171 76 VAL CB C 34.112 0.300 1 754 171 76 VAL CG1 C 23.828 0.300 2 755 171 76 VAL CG2 C 22.122 0.300 2 756 171 76 VAL N N 122.918 0.300 1 757 172 77 ASN H H 9.460 0.030 1 758 172 77 ASN HA H 5.068 0.030 1 759 172 77 ASN HB2 H 3.114 0.030 2 760 172 77 ASN HB3 H 2.760 0.030 2 761 172 77 ASN HD21 H 7.397 0.030 2 762 172 77 ASN HD22 H 8.864 0.030 2 763 172 77 ASN CA C 51.308 0.300 1 764 172 77 ASN CB C 44.127 0.300 1 765 172 77 ASN N N 124.866 0.300 1 766 172 77 ASN ND2 N 119.132 0.300 1 767 173 78 LEU H H 9.018 0.030 1 768 173 78 LEU HA H 4.544 0.030 1 769 173 78 LEU HB2 H 1.623 0.030 2 770 173 78 LEU HB3 H 1.821 0.030 2 771 173 78 LEU HG H 1.744 0.030 1 772 173 78 LEU HD1 H 1.026 0.030 1 773 173 78 LEU HD2 H 0.934 0.030 1 774 173 78 LEU CA C 56.547 0.300 1 775 173 78 LEU CB C 41.505 0.300 1 776 173 78 LEU CG C 27.398 0.300 1 777 173 78 LEU CD1 C 25.230 0.300 2 778 173 78 LEU CD2 C 22.748 0.300 2 779 173 78 LEU N N 120.565 0.300 1 780 174 79 ALA H H 8.602 0.030 1 781 174 79 ALA HA H 5.194 0.030 1 782 174 79 ALA HB H 1.521 0.030 1 783 174 79 ALA CA C 51.880 0.300 1 784 174 79 ALA CB C 19.512 0.300 1 785 174 79 ALA N N 125.649 0.300 1 786 175 80 THR H H 8.546 0.030 1 787 175 80 THR HA H 4.338 0.030 1 788 175 80 THR HB H 4.297 0.030 1 789 175 80 THR HG2 H 1.101 0.030 1 790 175 80 THR CA C 60.363 0.300 1 791 175 80 THR CB C 70.266 0.300 1 792 175 80 THR CG2 C 22.269 0.300 1 793 175 80 THR N N 115.838 0.300 1 794 176 81 GLN H H 8.771 0.030 1 795 176 81 GLN HA H 4.243 0.030 1 796 176 81 GLN HB2 H 1.980 0.030 1 797 176 81 GLN HB3 H 1.980 0.030 1 798 176 81 GLN HG2 H 2.385 0.030 1 799 176 81 GLN HG3 H 2.385 0.030 1 800 176 81 GLN HE21 H 6.881 0.030 2 801 176 81 GLN HE22 H 7.592 0.030 2 802 176 81 GLN CA C 56.600 0.300 1 803 176 81 GLN CB C 29.133 0.300 1 804 176 81 GLN CG C 33.831 0.300 1 805 176 81 GLN N N 123.204 0.300 1 806 176 81 GLN NE2 N 112.832 0.300 1 807 177 82 ARG H H 8.423 0.030 1 808 177 82 ARG HA H 4.007 0.030 1 809 177 82 ARG HB2 H 1.255 0.030 2 810 177 82 ARG HB3 H 1.379 0.030 2 811 177 82 ARG HG2 H 1.001 0.030 2 812 177 82 ARG HG3 H 1.093 0.030 2 813 177 82 ARG HD2 H 2.694 0.030 1 814 177 82 ARG HD3 H 2.694 0.030 1 815 177 82 ARG HE H 6.795 0.030 1 816 177 82 ARG CA C 56.512 0.300 1 817 177 82 ARG CB C 30.846 0.300 1 818 177 82 ARG CG C 27.078 0.300 1 819 177 82 ARG CD C 43.543 0.300 1 820 177 82 ARG N N 123.804 0.300 1 821 177 82 ARG NE N 83.664 0.300 1 822 178 83 VAL H H 8.305 0.030 1 823 178 83 VAL HA H 3.922 0.030 1 824 178 83 VAL HB H 1.907 0.030 1 825 178 83 VAL HG1 H 0.808 0.030 1 826 178 83 VAL HG2 H 0.751 0.030 1 827 178 83 VAL CA C 62.655 0.300 1 828 178 83 VAL CB C 33.042 0.300 1 829 178 83 VAL CG1 C 20.842 0.300 2 830 178 83 VAL CG2 C 21.022 0.300 2 831 178 83 VAL N N 122.255 0.300 1 832 179 84 HIS H H 8.362 0.030 1 833 179 84 HIS HA H 4.680 0.030 1 834 179 84 HIS HB2 H 3.043 0.030 2 835 179 84 HIS HB3 H 3.123 0.030 2 836 179 84 HIS HD2 H 7.159 0.030 1 837 179 84 HIS HE1 H 8.256 0.030 1 838 179 84 HIS CA C 55.226 0.300 1 839 179 84 HIS CB C 29.919 0.300 1 840 179 84 HIS CD2 C 120.330 0.300 1 841 179 84 HIS CE1 C 137.129 0.300 1 842 179 84 HIS N N 122.103 0.300 1 843 180 85 ASN H H 8.403 0.030 1 844 180 85 ASN HA H 4.614 0.030 1 845 180 85 ASN HB2 H 2.771 0.030 2 846 180 85 ASN HB3 H 2.696 0.030 2 847 180 85 ASN HD21 H 6.901 0.030 2 848 180 85 ASN HD22 H 7.594 0.030 2 849 180 85 ASN CA C 53.216 0.300 1 850 180 85 ASN CB C 39.012 0.300 1 851 180 85 ASN N N 121.634 0.300 1 852 180 85 ASN ND2 N 112.910 0.300 1 853 181 86 LYS HB2 H 1.727 0.030 2 854 181 86 LYS HB3 H 1.902 0.030 2 855 181 86 LYS HE2 H 2.982 0.030 2 856 181 86 LYS CB C 33.019 0.300 1 857 181 86 LYS CE C 41.700 0.300 1 858 183 88 ALA H H 8.264 0.030 1 859 183 88 ALA HA H 4.304 0.030 1 860 183 88 ALA HB H 1.364 0.030 1 861 183 88 ALA CA C 52.283 0.300 1 862 183 88 ALA CB C 19.473 0.300 1 863 183 88 ALA N N 125.846 0.300 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C 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 entity_2 _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 31 13 ASP H H 8.414 0.030 1 2 31 13 ASP HA H 4.340 0.030 1 3 31 13 ASP HB2 H 2.820 0.030 2 4 31 13 ASP HB3 H 2.674 0.030 2 5 31 13 ASP CA C 56.265 0.300 1 6 31 13 ASP CB C 41.285 0.300 1 7 31 13 ASP N N 121.842 0.300 1 8 32 14 THR H H 8.175 0.030 1 9 32 14 THR HA H 4.697 0.030 1 10 32 14 THR HB H 4.630 0.030 1 11 32 14 THR HG2 H 1.088 0.030 1 12 32 14 THR CA C 60.920 0.300 1 13 32 14 THR CB C 68.888 0.300 1 14 32 14 THR CG2 C 21.216 0.300 1 15 32 14 THR N N 113.414 0.300 1 16 33 15 MET H H 8.310 0.030 1 17 33 15 MET HA H 4.244 0.030 1 18 33 15 MET HB2 H 2.136 0.030 2 19 33 15 MET HE H 1.469 0.030 1 20 33 15 MET CA C 56.100 0.300 1 21 33 15 MET CG C 32.070 0.300 1 22 33 15 MET CE C 16.612 0.300 1 23 33 15 MET N N 123.590 0.300 1 24 34 16 PHE H H 8.774 0.030 1 25 34 16 PHE HA H 4.997 0.030 1 26 34 16 PHE HB2 H 2.746 0.030 2 27 34 16 PHE HB3 H 3.543 0.030 2 28 34 16 PHE HD1 H 7.255 0.030 1 29 34 16 PHE HD2 H 7.255 0.030 1 30 34 16 PHE HE1 H 7.912 0.030 1 31 34 16 PHE HE2 H 7.912 0.030 1 32 34 16 PHE HZ H 7.180 0.030 1 33 34 16 PHE CA C 57.888 0.300 1 34 34 16 PHE CB C 39.093 0.300 1 35 34 16 PHE CD1 C 131.419 0.300 1 36 34 16 PHE CD2 C 131.419 0.300 1 37 34 16 PHE CE2 C 131.418 0.300 1 38 34 16 PHE CZ C 129.719 0.300 1 39 34 16 PHE N N 111.332 0.300 1 40 35 17 THR H H 7.419 0.030 1 41 35 17 THR HA H 4.412 0.030 1 42 35 17 THR HB H 4.578 0.030 1 43 35 17 THR HG2 H 0.811 0.030 1 44 35 17 THR CA C 61.284 0.300 1 45 35 17 THR CB C 69.704 0.300 1 46 35 17 THR CG2 C 22.296 0.300 1 47 35 17 THR N N 105.123 0.300 1 48 36 18 LYS H H 7.911 0.030 1 49 36 18 LYS HA H 4.989 0.030 1 50 36 18 LYS HD2 H 1.636 0.030 2 51 36 18 LYS HD3 H 1.526 0.030 2 52 36 18 LYS HE2 H 2.354 0.030 2 53 36 18 LYS HE3 H 2.826 0.030 2 54 36 18 LYS CA C 56.751 0.300 1 55 36 18 LYS CB C 32.695 0.300 1 56 36 18 LYS CD C 30.168 0.300 1 57 36 18 LYS CE C 41.799 0.300 1 58 36 18 LYS N N 122.511 0.300 1 59 37 19 ILE H H 10.104 0.030 1 60 37 19 ILE HA H 4.214 0.030 1 61 37 19 ILE HB H 1.885 0.030 1 62 37 19 ILE HG12 H 1.676 0.030 2 63 37 19 ILE HG13 H 0.559 0.030 2 64 37 19 ILE HG2 H 0.678 0.030 1 65 37 19 ILE HD1 H 0.705 0.030 1 66 37 19 ILE CA C 61.838 0.300 1 67 37 19 ILE CB C 40.836 0.300 1 68 37 19 ILE CG1 C 28.214 0.300 1 69 37 19 ILE CG2 C 18.454 0.300 1 70 37 19 ILE CD1 C 15.705 0.300 1 71 37 19 ILE N N 133.586 0.300 1 72 38 20 PHE H H 9.253 0.030 1 73 38 20 PHE HA H 4.605 0.030 1 74 38 20 PHE HB2 H 2.808 0.030 2 75 38 20 PHE HD1 H 6.716 0.030 1 76 38 20 PHE HD2 H 6.716 0.030 1 77 38 20 PHE HE1 H 6.597 0.030 1 78 38 20 PHE HE2 H 6.597 0.030 1 79 38 20 PHE HZ H 5.788 0.030 1 80 38 20 PHE CA C 57.658 0.300 1 81 38 20 PHE CD1 C 131.516 0.300 1 82 38 20 PHE CD2 C 131.516 0.300 1 83 38 20 PHE CE1 C 131.593 0.300 1 84 38 20 PHE CE2 C 131.593 0.300 1 85 38 20 PHE CZ C 127.533 0.300 1 86 38 20 PHE N N 127.440 0.300 1 87 39 21 VAL H H 7.573 0.030 1 88 39 21 VAL HA H 4.320 0.030 1 89 39 21 VAL HB H 1.440 0.030 1 90 39 21 VAL HG1 H 0.655 0.030 1 91 39 21 VAL HG2 H 0.572 0.030 1 92 39 21 VAL CA C 59.635 0.300 1 93 39 21 VAL CB C 31.897 0.300 1 94 39 21 VAL CG1 C 21.542 0.300 2 95 39 21 VAL CG2 C 21.463 0.300 2 96 39 21 VAL N N 127.390 0.300 1 97 40 22 GLY H H 8.764 0.030 1 98 40 22 GLY HA2 H 3.571 0.030 2 99 40 22 GLY HA3 H 4.058 0.030 2 100 40 22 GLY CA C 43.219 0.300 1 101 40 22 GLY N N 112.731 0.300 1 102 41 23 GLY H H 8.240 0.030 1 103 41 23 GLY HA2 H 3.969 0.030 2 104 41 23 GLY HA3 H 3.786 0.030 2 105 41 23 GLY CA C 46.964 0.300 1 106 41 23 GLY N N 106.626 0.300 1 107 42 24 LEU H H 7.440 0.030 1 108 42 24 LEU HA H 4.305 0.030 1 109 42 24 LEU HB2 H 1.106 0.030 2 110 42 24 LEU HB3 H 0.963 0.030 2 111 42 24 LEU HG H 1.232 0.030 1 112 42 24 LEU HD1 H 0.430 0.030 1 113 42 24 LEU HD2 H 0.614 0.030 1 114 42 24 LEU CA C 52.235 0.300 1 115 42 24 LEU CB C 41.764 0.300 1 116 42 24 LEU CG C 26.300 0.300 1 117 42 24 LEU CD1 C 26.111 0.300 2 118 42 24 LEU CD2 C 22.897 0.300 2 119 42 24 LEU N N 117.272 0.300 1 120 43 25 PRO HA H 4.839 0.030 1 121 43 25 PRO HB2 H 2.109 0.030 2 122 43 25 PRO HB3 H 1.643 0.030 2 123 43 25 PRO HG2 H 1.785 0.030 1 124 43 25 PRO HG3 H 1.785 0.030 1 125 43 25 PRO HD2 H 3.805 0.030 1 126 43 25 PRO HD3 H 3.805 0.030 1 127 43 25 PRO CA C 62.592 0.300 1 128 43 25 PRO CB C 31.831 0.300 1 129 43 25 PRO CG C 27.144 0.300 1 130 43 25 PRO CD C 49.741 0.300 1 131 44 26 TYR H H 8.093 0.030 1 132 44 26 TYR HA H 4.171 0.030 1 133 44 26 TYR HB2 H 3.258 0.030 2 134 44 26 TYR HB3 H 2.833 0.030 2 135 44 26 TYR HD1 H 7.132 0.030 3 136 44 26 TYR HD2 H 6.958 0.030 3 137 44 26 TYR HE1 H 6.282 0.030 1 138 44 26 TYR HE2 H 6.282 0.030 1 139 44 26 TYR CA C 60.664 0.300 1 140 44 26 TYR CB C 37.101 0.300 1 141 44 26 TYR CD1 C 132.704 0.300 3 142 44 26 TYR CD2 C 132.354 0.300 3 143 44 26 TYR CE1 C 117.500 0.300 1 144 44 26 TYR CE2 C 117.500 0.300 1 145 44 26 TYR N N 122.010 0.300 1 146 45 27 HIS H H 7.480 0.030 1 147 45 27 HIS HB2 H 3.098 0.030 2 148 45 27 HIS HB3 H 3.421 0.030 2 149 45 27 HIS HD2 H 7.181 0.030 1 150 45 27 HIS HE1 H 8.191 0.030 1 151 45 27 HIS CB C 29.728 0.300 1 152 45 27 HIS CD2 C 119.482 0.300 1 153 45 27 HIS CE1 C 138.622 0.300 1 154 45 27 HIS N N 110.862 0.300 1 155 46 28 THR H H 7.283 0.030 1 156 46 28 THR HA H 4.048 0.030 1 157 46 28 THR HB H 3.702 0.030 1 158 46 28 THR HG2 H 1.135 0.030 1 159 46 28 THR CA C 65.942 0.300 1 160 46 28 THR CB C 67.781 0.300 1 161 46 28 THR CG2 C 22.873 0.300 1 162 46 28 THR N N 122.731 0.300 1 163 47 29 SER H H 8.440 0.030 1 164 47 29 SER HA H 4.828 0.030 1 165 47 29 SER HB2 H 4.429 0.030 2 166 47 29 SER HB3 H 4.004 0.030 2 167 47 29 SER CA C 55.896 0.300 1 168 47 29 SER CB C 67.482 0.300 1 169 48 30 ASP H H 8.716 0.030 1 170 48 30 ASP HA H 4.061 0.030 1 171 48 30 ASP HB2 H 2.754 0.030 2 172 48 30 ASP HB3 H 2.961 0.030 2 173 48 30 ASP CA C 57.913 0.300 1 174 48 30 ASP CB C 39.989 0.300 1 175 48 30 ASP N N 119.489 0.300 1 176 49 31 LYS H H 7.950 0.030 1 177 49 31 LYS HA H 4.136 0.030 1 178 49 31 LYS HB2 H 1.905 0.030 2 179 49 31 LYS HB3 H 1.807 0.030 2 180 49 31 LYS HG2 H 1.466 0.030 2 181 49 31 LYS HG3 H 1.371 0.030 2 182 49 31 LYS HD2 H 1.653 0.030 2 183 49 31 LYS HD3 H 1.704 0.030 2 184 49 31 LYS HE2 H 2.983 0.030 2 185 49 31 LYS CA C 59.439 0.300 1 186 49 31 LYS CB C 32.696 0.300 1 187 49 31 LYS CG C 24.653 0.300 1 188 49 31 LYS CD C 29.330 0.300 1 189 49 31 LYS CE C 42.015 0.300 1 190 49 31 LYS N N 119.215 0.300 1 191 50 32 THR H H 7.842 0.030 1 192 50 32 THR HA H 4.128 0.030 1 193 50 32 THR HB H 4.408 0.030 1 194 50 32 THR HG2 H 1.259 0.030 1 195 50 32 THR CA C 65.989 0.300 1 196 50 32 THR CB C 67.572 0.300 1 197 50 32 THR CG2 C 22.805 0.300 1 198 50 32 THR N N 116.461 0.300 1 199 51 33 LEU H H 8.161 0.030 1 200 51 33 LEU HA H 4.090 0.030 1 201 51 33 LEU HB2 H 1.282 0.030 2 202 51 33 LEU HB3 H 1.934 0.030 2 203 51 33 LEU HG H 0.922 0.030 1 204 51 33 LEU HD1 H 0.535 0.030 1 205 51 33 LEU CA C 57.928 0.300 1 206 51 33 LEU CB C 42.442 0.300 1 207 51 33 LEU CG C 24.902 0.300 1 208 51 33 LEU CD1 C 26.157 0.300 1 209 51 33 LEU CD2 C 26.157 0.300 1 210 51 33 LEU N N 123.449 0.300 1 211 52 34 HIS H H 8.588 0.030 1 212 52 34 HIS HA H 3.764 0.030 1 213 52 34 HIS HB2 H 3.556 0.030 1 214 52 34 HIS HB3 H 3.556 0.030 1 215 52 34 HIS HD2 H 7.307 0.030 1 216 52 34 HIS HE1 H 8.562 0.030 1 217 52 34 HIS CA C 60.529 0.300 1 218 52 34 HIS CB C 29.150 0.300 1 219 52 34 HIS CD2 C 120.757 0.300 1 220 52 34 HIS CE1 C 137.770 0.300 1 221 52 34 HIS N N 118.229 0.300 1 222 53 35 GLU H H 8.531 0.030 1 223 53 35 GLU HA H 4.054 0.030 1 224 53 35 GLU HB2 H 2.259 0.030 2 225 53 35 GLU HB3 H 2.078 0.030 2 226 53 35 GLU HG2 H 2.626 0.030 2 227 53 35 GLU HG3 H 2.327 0.030 2 228 53 35 GLU CA C 59.486 0.300 1 229 53 35 GLU CB C 29.742 0.300 1 230 53 35 GLU CG C 36.996 0.300 1 231 53 35 GLU N N 116.092 0.300 1 232 54 36 TYR H H 7.822 0.030 1 233 54 36 TYR HA H 4.092 0.030 1 234 54 36 TYR HB2 H 3.210 0.030 2 235 54 36 TYR HB3 H 2.866 0.030 2 236 54 36 TYR HD1 H 6.313 0.030 1 237 54 36 TYR HD2 H 6.313 0.030 1 238 54 36 TYR HE1 H 6.464 0.030 1 239 54 36 TYR HE2 H 6.464 0.030 1 240 54 36 TYR CA C 62.653 0.300 1 241 54 36 TYR CB C 37.917 0.300 1 242 54 36 TYR CD1 C 132.755 0.300 1 243 54 36 TYR CD2 C 132.755 0.300 1 244 54 36 TYR CE1 C 117.607 0.300 1 245 54 36 TYR CE2 C 117.607 0.300 1 246 54 36 TYR N N 117.722 0.300 1 247 55 37 PHE H H 7.718 0.030 1 248 55 37 PHE HA H 4.313 0.030 1 249 55 37 PHE HB2 H 2.881 0.030 2 250 55 37 PHE HB3 H 3.260 0.030 2 251 55 37 PHE HD1 H 7.789 0.030 1 252 55 37 PHE HD2 H 7.789 0.030 1 253 55 37 PHE HE1 H 7.286 0.030 1 254 55 37 PHE HE2 H 7.286 0.030 1 255 55 37 PHE HZ H 7.166 0.030 1 256 55 37 PHE CA C 62.031 0.300 1 257 55 37 PHE CB C 40.038 0.300 1 258 55 37 PHE CD1 C 132.498 0.300 1 259 55 37 PHE CD2 C 132.498 0.300 1 260 55 37 PHE CE1 C 131.448 0.300 1 261 55 37 PHE CE2 C 131.448 0.300 1 262 55 37 PHE CZ C 129.839 0.300 1 263 55 37 PHE N N 113.045 0.300 1 264 56 38 GLU H H 8.284 0.030 1 265 56 38 GLU HA H 4.423 0.030 1 266 56 38 GLU HB2 H 2.075 0.030 2 267 56 38 GLU HB3 H 2.152 0.030 2 268 56 38 GLU HG2 H 2.615 0.030 2 269 56 38 GLU HG3 H 2.460 0.030 2 270 56 38 GLU CA C 57.400 0.300 1 271 56 38 GLU CB C 28.806 0.300 1 272 56 38 GLU CG C 36.180 0.300 1 273 56 38 GLU N N 121.037 0.300 1 274 57 39 GLN H H 6.700 0.030 1 275 57 39 GLN HA H 4.068 0.030 1 276 57 39 GLN HB2 H 1.552 0.030 1 277 57 39 GLN HB3 H 1.552 0.030 1 278 57 39 GLN HG2 H 0.176 0.030 2 279 57 39 GLN HG3 H 1.502 0.030 2 280 57 39 GLN HE21 H 6.724 0.030 2 281 57 39 GLN HE22 H 6.017 0.030 2 282 57 39 GLN CA C 56.897 0.300 1 283 57 39 GLN CB C 28.411 0.300 1 284 57 39 GLN CG C 31.261 0.300 1 285 57 39 GLN N N 114.100 0.300 1 286 57 39 GLN NE2 N 112.156 0.300 1 287 58 40 PHE H H 7.601 0.030 1 288 58 40 PHE HA H 4.705 0.030 1 289 58 40 PHE HB2 H 2.882 0.030 2 290 58 40 PHE HB3 H 3.645 0.030 2 291 58 40 PHE HD1 H 7.346 0.030 1 292 58 40 PHE HD2 H 7.346 0.030 1 293 58 40 PHE HE1 H 6.966 0.030 1 294 58 40 PHE HE2 H 6.966 0.030 1 295 58 40 PHE HZ H 7.294 0.030 1 296 58 40 PHE CA C 58.533 0.300 1 297 58 40 PHE CB C 40.143 0.300 1 298 58 40 PHE CD1 C 131.605 0.300 1 299 58 40 PHE CD2 C 131.605 0.300 1 300 58 40 PHE CE1 C 132.010 0.300 1 301 58 40 PHE CE2 C 132.010 0.300 1 302 58 40 PHE CZ C 131.459 0.300 1 303 58 40 PHE N N 117.605 0.300 1 304 59 41 GLY H H 7.304 0.030 1 305 59 41 GLY HA2 H 3.854 0.030 2 306 59 41 GLY HA3 H 4.558 0.030 2 307 59 41 GLY CA C 44.342 0.300 1 308 59 41 GLY N N 105.659 0.300 1 309 60 42 ASP H H 8.235 0.030 1 310 60 42 ASP HA H 4.719 0.030 1 311 60 42 ASP HB2 H 2.534 0.030 2 312 60 42 ASP HB3 H 2.600 0.030 2 313 60 42 ASP CA C 54.687 0.300 1 314 60 42 ASP CB C 41.729 0.300 1 315 60 42 ASP N N 117.240 0.300 1 316 61 43 ILE H H 8.774 0.030 1 317 61 43 ILE HA H 4.138 0.030 1 318 61 43 ILE HB H 1.472 0.030 1 319 61 43 ILE HG12 H 0.938 0.030 2 320 61 43 ILE HG13 H 1.514 0.030 2 321 61 43 ILE HG2 H 0.600 0.030 1 322 61 43 ILE HD1 H 0.333 0.030 1 323 61 43 ILE CA C 61.179 0.300 1 324 61 43 ILE CB C 41.358 0.300 1 325 61 43 ILE CG1 C 27.239 0.300 1 326 61 43 ILE CG2 C 18.419 0.300 1 327 61 43 ILE CD1 C 14.526 0.300 1 328 61 43 ILE N N 123.858 0.300 1 329 62 44 GLU H H 9.140 0.030 1 330 62 44 GLU HA H 4.412 0.030 1 331 62 44 GLU HB2 H 1.684 0.030 2 332 62 44 GLU HB3 H 1.826 0.030 2 333 62 44 GLU HG2 H 2.105 0.030 1 334 62 44 GLU HG3 H 2.105 0.030 1 335 62 44 GLU CA C 57.785 0.300 1 336 62 44 GLU CB C 30.769 0.300 1 337 62 44 GLU CG C 35.432 0.300 1 338 62 44 GLU N N 128.226 0.300 1 339 63 45 GLU H H 7.567 0.030 1 340 63 45 GLU HA H 4.589 0.030 1 341 63 45 GLU HB2 H 2.095 0.030 2 342 63 45 GLU HB3 H 1.956 0.030 2 343 63 45 GLU HG2 H 2.025 0.030 2 344 63 45 GLU HG3 H 2.367 0.030 2 345 63 45 GLU CA C 55.743 0.300 1 346 63 45 GLU CB C 33.563 0.300 1 347 63 45 GLU CG C 37.095 0.300 1 348 63 45 GLU N N 118.418 0.300 1 349 64 46 ALA H H 8.913 0.030 1 350 64 46 ALA HA H 5.250 0.030 1 351 64 46 ALA HB H 1.315 0.030 1 352 64 46 ALA CA C 51.774 0.300 1 353 64 46 ALA CB C 20.763 0.300 1 354 64 46 ALA N N 130.258 0.300 1 355 65 47 VAL H H 8.863 0.030 1 356 65 47 VAL HA H 4.759 0.030 1 357 65 47 VAL HB H 1.950 0.030 1 358 65 47 VAL HG1 H 0.946 0.030 1 359 65 47 VAL HG2 H 0.948 0.030 1 360 65 47 VAL CA C 58.616 0.300 1 361 65 47 VAL CB C 36.266 0.300 1 362 65 47 VAL CG1 C 20.308 0.300 1 363 65 47 VAL CG2 C 20.308 0.300 1 364 65 47 VAL N N 120.092 0.300 1 365 66 48 VAL H H 8.438 0.030 1 366 66 48 VAL HA H 3.753 0.030 1 367 66 48 VAL HB H 1.852 0.030 1 368 66 48 VAL HG1 H 0.712 0.030 1 369 66 48 VAL HG2 H 0.581 0.030 1 370 66 48 VAL CA C 62.311 0.300 1 371 66 48 VAL CB C 33.138 0.300 1 372 66 48 VAL CG1 C 20.974 0.300 2 373 66 48 VAL CG2 C 22.105 0.300 2 374 66 48 VAL N N 125.254 0.300 1 375 67 49 ILE H H 8.223 0.030 1 376 67 49 ILE HA H 4.076 0.030 1 377 67 49 ILE HB H 0.961 0.030 1 378 67 49 ILE HG12 H 1.400 0.030 2 379 67 49 ILE HG13 H 1.175 0.030 2 380 67 49 ILE HG2 H 0.906 0.030 1 381 67 49 ILE HD1 H 0.795 0.030 1 382 67 49 ILE CA C 59.123 0.300 1 383 67 49 ILE CB C 33.927 0.300 1 384 67 49 ILE CG1 C 27.504 0.300 1 385 67 49 ILE CG2 C 17.419 0.300 1 386 67 49 ILE CD1 C 9.073 0.300 1 387 67 49 ILE N N 129.288 0.300 1 388 68 50 THR H H 7.905 0.030 1 389 68 50 THR HA H 4.801 0.030 1 390 68 50 THR HB H 3.691 0.030 1 391 68 50 THR HG2 H 0.972 0.030 1 392 68 50 THR CA C 59.049 0.300 1 393 68 50 THR CB C 71.909 0.300 1 394 68 50 THR CG2 C 21.394 0.300 1 395 68 50 THR N N 116.259 0.300 1 396 69 51 ASP H H 8.566 0.030 1 397 69 51 ASP HA H 4.603 0.030 1 398 69 51 ASP HB2 H 3.091 0.030 2 399 69 51 ASP HB3 H 2.494 0.030 2 400 69 51 ASP CA C 53.988 0.300 1 401 69 51 ASP CB C 42.863 0.300 1 402 69 51 ASP N N 122.446 0.300 1 403 70 52 ARG H H 8.925 0.030 1 404 70 52 ARG HA H 4.070 0.030 1 405 70 52 ARG HB2 H 1.858 0.030 1 406 70 52 ARG HB3 H 1.858 0.030 1 407 70 52 ARG HG2 H 1.695 0.030 1 408 70 52 ARG HG3 H 1.695 0.030 1 409 70 52 ARG HD2 H 3.210 0.030 1 410 70 52 ARG HD3 H 3.210 0.030 1 411 70 52 ARG HE H 7.575 0.030 1 412 70 52 ARG CA C 58.475 0.300 1 413 70 52 ARG CB C 30.622 0.300 1 414 70 52 ARG CG C 27.138 0.300 1 415 70 52 ARG CD C 43.280 0.300 1 416 70 52 ARG N N 126.575 0.300 1 417 70 52 ARG NE N 82.058 0.300 1 418 71 53 ASN H H 8.795 0.030 1 419 71 53 ASN HA H 4.727 0.030 1 420 71 53 ASN HB2 H 3.001 0.030 2 421 71 53 ASN HB3 H 2.859 0.030 2 422 71 53 ASN HD21 H 7.014 0.030 2 423 71 53 ASN HD22 H 7.906 0.030 2 424 71 53 ASN CA C 55.339 0.300 1 425 71 53 ASN CB C 39.213 0.300 1 426 71 53 ASN N N 115.841 0.300 1 427 71 53 ASN ND2 N 114.563 0.300 1 428 72 54 THR H H 8.125 0.030 1 429 72 54 THR HA H 4.366 0.030 1 430 72 54 THR HB H 4.323 0.030 1 431 72 54 THR HG2 H 1.182 0.030 1 432 72 54 THR CA C 61.787 0.300 1 433 72 54 THR CB C 70.807 0.300 1 434 72 54 THR CG2 C 21.296 0.300 1 435 72 54 THR N N 108.558 0.300 1 436 73 55 GLN H H 8.287 0.030 1 437 73 55 GLN HA H 3.974 0.030 1 438 73 55 GLN HB2 H 2.374 0.030 1 439 73 55 GLN HB3 H 2.374 0.030 1 440 73 55 GLN HG2 H 2.291 0.030 1 441 73 55 GLN HG3 H 2.291 0.030 1 442 73 55 GLN HE21 H 7.409 0.030 2 443 73 55 GLN HE22 H 6.747 0.030 2 444 73 55 GLN CA C 57.520 0.300 1 445 73 55 GLN CB C 26.283 0.300 1 446 73 55 GLN CG C 34.395 0.300 1 447 73 55 GLN N N 114.825 0.300 1 448 73 55 GLN NE2 N 112.805 0.300 1 449 74 56 LYS H H 7.656 0.030 1 450 74 56 LYS HA H 4.392 0.030 1 451 74 56 LYS HB2 H 1.797 0.030 2 452 74 56 LYS HB3 H 1.614 0.030 2 453 74 56 LYS HG2 H 1.392 0.030 1 454 74 56 LYS HG3 H 1.392 0.030 1 455 74 56 LYS HD2 H 1.572 0.030 1 456 74 56 LYS HD3 H 1.572 0.030 1 457 74 56 LYS HE2 H 2.883 0.030 2 458 74 56 LYS HE3 H 2.822 0.030 2 459 74 56 LYS CA C 55.475 0.300 1 460 74 56 LYS CB C 33.767 0.300 1 461 74 56 LYS CG C 24.880 0.300 1 462 74 56 LYS CD C 28.949 0.300 1 463 74 56 LYS CE C 42.169 0.300 1 464 74 56 LYS N N 118.256 0.300 1 465 75 57 SER H H 8.677 0.030 1 466 75 57 SER HA H 4.218 0.030 1 467 75 57 SER HB2 H 4.154 0.030 2 468 75 57 SER HB3 H 3.960 0.030 2 469 75 57 SER CA C 58.321 0.300 1 470 75 57 SER CB C 64.452 0.300 1 471 75 57 SER N N 116.811 0.300 1 472 76 58 ARG H H 9.061 0.030 1 473 76 58 ARG HA H 4.539 0.030 1 474 76 58 ARG HG2 H 1.586 0.030 1 475 76 58 ARG HG3 H 1.586 0.030 1 476 76 58 ARG HD2 H 3.189 0.030 1 477 76 58 ARG HD3 H 3.189 0.030 1 478 76 58 ARG HE H 7.222 0.030 1 479 76 58 ARG CA C 56.098 0.300 1 480 76 58 ARG CG C 27.911 0.300 1 481 76 58 ARG CD C 43.364 0.300 1 482 76 58 ARG N N 123.204 0.300 1 483 76 58 ARG NE N 84.481 0.300 1 484 77 59 GLY H H 9.727 0.030 1 485 77 59 GLY HA2 H 3.220 0.030 2 486 77 59 GLY HA3 H 4.242 0.030 2 487 77 59 GLY CA C 45.633 0.300 1 488 77 59 GLY N N 108.060 0.300 1 489 78 60 TYR H H 7.048 0.030 1 490 78 60 TYR HA H 4.915 0.030 1 491 78 60 TYR HB2 H 2.154 0.030 1 492 78 60 TYR HB3 H 2.154 0.030 1 493 78 60 TYR CA C 54.699 0.300 1 494 78 60 TYR CB C 40.904 0.300 1 495 78 60 TYR N N 111.460 0.300 1 496 79 61 GLY H H 8.707 0.030 1 497 79 61 GLY HA2 H 3.800 0.030 2 498 79 61 GLY HA3 H 3.944 0.030 2 499 79 61 GLY CA C 45.139 0.300 1 500 79 61 GLY N N 106.676 0.300 1 501 80 62 PHE H H 8.373 0.030 1 502 80 62 PHE HA H 5.545 0.030 1 503 80 62 PHE HB2 H 2.794 0.030 2 504 80 62 PHE HB3 H 2.179 0.030 2 505 80 62 PHE HD1 H 6.614 0.030 1 506 80 62 PHE HD2 H 6.614 0.030 1 507 80 62 PHE HE1 H 7.207 0.030 1 508 80 62 PHE HE2 H 7.207 0.030 1 509 80 62 PHE HZ H 7.259 0.030 1 510 80 62 PHE CA C 55.988 0.300 1 511 80 62 PHE CB C 44.371 0.300 1 512 80 62 PHE CD1 C 131.204 0.300 1 513 80 62 PHE CD2 C 131.204 0.300 1 514 80 62 PHE CE1 C 130.851 0.300 1 515 80 62 PHE CE2 C 130.851 0.300 1 516 80 62 PHE CZ C 128.526 0.300 1 517 80 62 PHE N N 112.553 0.300 1 518 81 63 VAL H H 8.803 0.030 1 519 81 63 VAL HA H 4.773 0.030 1 520 81 63 VAL HB H 1.111 0.030 1 521 81 63 VAL HG1 H 0.269 0.030 1 522 81 63 VAL HG2 H 0.540 0.030 1 523 81 63 VAL CB C 35.285 0.300 1 524 81 63 VAL CG1 C 21.095 0.300 2 525 81 63 VAL CG2 C 21.619 0.300 2 526 81 63 VAL N N 121.077 0.300 1 527 82 64 THR H H 9.529 0.030 1 528 82 64 THR HA H 5.223 0.030 1 529 82 64 THR HB H 3.928 0.030 1 530 82 64 THR HG2 H 1.161 0.030 1 531 82 64 THR CA C 61.587 0.300 1 532 82 64 THR CB C 69.492 0.300 1 533 82 64 THR CG2 C 21.239 0.300 1 534 82 64 THR N N 124.905 0.300 1 535 83 65 MET H H 8.437 0.030 1 536 83 65 MET HA H 5.094 0.030 1 537 83 65 MET HB2 H 2.286 0.030 2 538 83 65 MET HB3 H 2.561 0.030 2 539 83 65 MET HG2 H 2.253 0.030 2 540 83 65 MET HG3 H 2.546 0.030 2 541 83 65 MET HE H 1.932 0.030 1 542 83 65 MET CA C 52.748 0.300 1 543 83 65 MET CB C 32.171 0.300 1 544 83 65 MET CG C 32.070 0.300 1 545 83 65 MET CE C 16.757 0.300 1 546 83 65 MET N N 125.227 0.300 1 547 84 66 LYS H H 8.320 0.030 1 548 84 66 LYS HA H 4.093 0.030 1 549 84 66 LYS HB2 H 1.724 0.030 2 550 84 66 LYS HB3 H 1.904 0.030 2 551 84 66 LYS HG2 H 1.376 0.030 1 552 84 66 LYS HG3 H 1.376 0.030 1 553 84 66 LYS HD2 H 1.701 0.030 1 554 84 66 LYS HD3 H 1.701 0.030 1 555 84 66 LYS HE2 H 2.959 0.030 2 556 84 66 LYS CA C 58.854 0.300 1 557 84 66 LYS CB C 33.038 0.300 1 558 84 66 LYS CG C 25.943 0.300 1 559 84 66 LYS CD C 29.098 0.300 1 560 84 66 LYS N N 117.417 0.300 1 561 85 67 ASP H H 7.681 0.030 1 562 85 67 ASP HA H 4.898 0.030 1 563 85 67 ASP HB2 H 2.745 0.030 2 564 85 67 ASP HB3 H 2.999 0.030 2 565 85 67 ASP CA C 52.275 0.300 1 566 85 67 ASP CB C 43.976 0.300 1 567 85 67 ASP N N 111.968 0.300 1 568 86 68 ARG H H 8.735 0.030 1 569 86 68 ARG HA H 4.098 0.030 1 570 86 68 ARG HB2 H 1.859 0.030 2 571 86 68 ARG HB3 H 1.904 0.030 2 572 86 68 ARG HG2 H 1.812 0.030 2 573 86 68 ARG HG3 H 1.646 0.030 2 574 86 68 ARG HD2 H 2.976 0.030 2 575 86 68 ARG HD3 H 3.041 0.030 2 576 86 68 ARG HE H 7.208 0.030 1 577 86 68 ARG CA C 59.360 0.300 1 578 86 68 ARG CB C 30.376 0.300 1 579 86 68 ARG CG C 26.870 0.300 1 580 86 68 ARG CD C 43.896 0.300 1 581 86 68 ARG N N 121.565 0.300 1 582 86 68 ARG NE N 123.782 0.300 1 583 87 69 ALA H H 8.654 0.030 1 584 87 69 ALA HA H 4.237 0.030 1 585 87 69 ALA HB H 1.512 0.030 1 586 87 69 ALA CA C 55.426 0.300 1 587 87 69 ALA CB C 18.058 0.300 1 588 87 69 ALA N N 123.392 0.300 1 589 88 70 SER H H 8.355 0.030 1 590 88 70 SER HA H 4.341 0.030 1 591 88 70 SER HB2 H 4.055 0.030 2 592 88 70 SER HB3 H 3.881 0.030 2 593 88 70 SER CA C 61.919 0.300 1 594 88 70 SER CB C 62.968 0.300 1 595 88 70 SER N N 115.069 0.300 1 596 89 71 ALA H H 7.556 0.030 1 597 89 71 ALA HA H 4.105 0.030 1 598 89 71 ALA HB H 1.581 0.030 1 599 89 71 ALA CA C 55.545 0.300 1 600 89 71 ALA CB C 18.530 0.300 1 601 89 71 ALA N N 124.148 0.300 1 602 90 72 GLU H H 8.553 0.030 1 603 90 72 GLU HA H 4.031 0.030 1 604 90 72 GLU HB2 H 2.228 0.030 2 605 90 72 GLU HB3 H 2.090 0.030 2 606 90 72 GLU HG2 H 2.553 0.030 2 607 90 72 GLU HG3 H 2.243 0.030 2 608 90 72 GLU CA C 59.777 0.300 1 609 90 72 GLU CB C 29.264 0.300 1 610 90 72 GLU CG C 36.891 0.300 1 611 90 72 GLU N N 119.078 0.300 1 612 91 73 ARG H H 7.884 0.030 1 613 91 73 ARG HA H 3.972 0.030 1 614 91 73 ARG HB2 H 2.335 0.030 2 615 91 73 ARG HB3 H 2.056 0.030 2 616 91 73 ARG HG2 H 1.725 0.030 2 617 91 73 ARG HG3 H 2.085 0.030 2 618 91 73 ARG HD2 H 3.425 0.030 2 619 91 73 ARG HD3 H 3.590 0.030 2 620 91 73 ARG HE H 7.901 0.030 1 621 91 73 ARG CA C 60.204 0.300 1 622 91 73 ARG CB C 31.103 0.300 1 623 91 73 ARG CG C 29.269 0.300 1 624 91 73 ARG CD C 44.124 0.300 1 625 91 73 ARG N N 118.873 0.300 1 626 92 74 ALA H H 7.883 0.030 1 627 92 74 ALA HA H 1.953 0.030 1 628 92 74 ALA HB H 1.407 0.030 1 629 92 74 ALA CA C 53.199 0.300 1 630 92 74 ALA CB C 19.994 0.300 1 631 92 74 ALA N N 120.990 0.300 1 632 93 75 CYS H H 7.149 0.030 1 633 93 75 CYS HA H 4.257 0.030 1 634 93 75 CYS HB2 H 3.061 0.030 2 635 93 75 CYS HB3 H 2.810 0.030 2 636 93 75 CYS CA C 59.726 0.300 1 637 93 75 CYS CB C 28.645 0.300 1 638 93 75 CYS N N 110.912 0.300 1 639 94 76 LYS H H 7.022 0.030 1 640 94 76 LYS HA H 3.889 0.030 1 641 94 76 LYS HB2 H 1.900 0.030 2 642 94 76 LYS HB3 H 1.823 0.030 2 643 94 76 LYS HG2 H 1.548 0.030 2 644 94 76 LYS HG3 H 1.583 0.030 2 645 94 76 LYS HD2 H 1.754 0.030 1 646 94 76 LYS HD3 H 1.754 0.030 1 647 94 76 LYS HE2 H 3.009 0.030 2 648 94 76 LYS CA C 59.417 0.300 1 649 94 76 LYS CB C 32.324 0.300 1 650 94 76 LYS CG C 24.693 0.300 1 651 94 76 LYS CD C 28.913 0.300 1 652 94 76 LYS CE C 42.155 0.300 1 653 94 76 LYS N N 121.746 0.300 1 654 95 77 ASP H H 7.761 0.030 1 655 95 77 ASP HA H 5.140 0.030 1 656 95 77 ASP HB2 H 2.819 0.030 2 657 95 77 ASP HB3 H 2.490 0.030 2 658 95 77 ASP CA C 49.547 0.300 1 659 95 77 ASP CB C 40.858 0.300 1 660 95 77 ASP N N 116.611 0.300 1 661 96 78 PRO HA H 4.681 0.030 1 662 96 78 PRO HB2 H 2.502 0.030 2 663 96 78 PRO HB3 H 2.142 0.030 2 664 96 78 PRO HG2 H 2.078 0.030 1 665 96 78 PRO HG3 H 2.078 0.030 1 666 96 78 PRO HD2 H 4.103 0.030 2 667 96 78 PRO HD3 H 3.992 0.030 2 668 96 78 PRO CA C 63.366 0.300 1 669 96 78 PRO CB C 33.101 0.300 1 670 96 78 PRO CG C 26.378 0.300 1 671 96 78 PRO CD C 50.945 0.300 1 672 97 79 ASN H H 8.135 0.030 1 673 97 79 ASN HA H 5.912 0.030 1 674 97 79 ASN HB2 H 2.775 0.030 2 675 97 79 ASN HB3 H 2.452 0.030 2 676 97 79 ASN HD21 H 8.041 0.030 2 677 97 79 ASN HD22 H 7.059 0.030 2 678 97 79 ASN CA C 51.134 0.300 1 679 97 79 ASN CB C 41.837 0.300 1 680 97 79 ASN N N 116.695 0.300 1 681 97 79 ASN ND2 N 113.167 0.300 1 682 98 80 PRO HA H 4.444 0.030 1 683 98 80 PRO HB2 H 1.548 0.030 2 684 98 80 PRO HB3 H 2.105 0.030 2 685 98 80 PRO HG2 H 1.934 0.030 2 686 98 80 PRO HG3 H 1.554 0.030 2 687 98 80 PRO HD2 H 3.568 0.030 2 688 98 80 PRO HD3 H 3.149 0.030 2 689 98 80 PRO CA C 62.926 0.300 1 690 98 80 PRO CB C 32.411 0.300 1 691 98 80 PRO CG C 26.601 0.300 1 692 98 80 PRO CD C 49.137 0.300 1 693 99 81 ILE H H 8.024 0.030 1 694 99 81 ILE HA H 4.217 0.030 1 695 99 81 ILE HB H 1.786 0.030 1 696 99 81 ILE HG12 H 1.119 0.030 2 697 99 81 ILE HG13 H 1.461 0.030 2 698 99 81 ILE HG2 H 0.546 0.030 1 699 99 81 ILE HD1 H 0.709 0.030 1 700 99 81 ILE CA C 59.789 0.300 1 701 99 81 ILE CB C 35.998 0.300 1 702 99 81 ILE CG1 C 27.426 0.300 1 703 99 81 ILE CG2 C 17.229 0.300 1 704 99 81 ILE CD1 C 11.225 0.300 1 705 99 81 ILE N N 118.720 0.300 1 706 100 82 ILE H H 8.321 0.030 1 707 100 82 ILE HA H 3.764 0.030 1 708 100 82 ILE HB H 1.295 0.030 1 709 100 82 ILE HG12 H 0.768 0.030 2 710 100 82 ILE HG13 H -0.478 0.030 2 711 100 82 ILE HG2 H 0.435 0.030 1 712 100 82 ILE HD1 H 0.204 0.030 1 713 100 82 ILE CA C 60.724 0.300 1 714 100 82 ILE CB C 39.720 0.300 1 715 100 82 ILE CG1 C 25.697 0.300 1 716 100 82 ILE CG2 C 15.860 0.300 1 717 100 82 ILE CD1 C 13.639 0.300 1 718 100 82 ILE N N 128.248 0.300 1 719 101 83 ASP H H 8.925 0.030 1 720 101 83 ASP HA H 4.224 0.030 1 721 101 83 ASP HB2 H 2.175 0.030 2 722 101 83 ASP HB3 H 3.017 0.030 2 723 101 83 ASP CA C 54.725 0.300 1 724 101 83 ASP CB C 40.186 0.300 1 725 101 83 ASP N N 126.075 0.300 1 726 102 84 GLY H H 7.948 0.030 1 727 102 84 GLY HA2 H 4.129 0.030 2 728 102 84 GLY HA3 H 3.446 0.030 2 729 102 84 GLY CA C 45.536 0.300 1 730 102 84 GLY N N 99.890 0.300 1 731 103 85 ARG H H 7.706 0.030 1 732 103 85 ARG HA H 4.570 0.030 1 733 103 85 ARG HB2 H 1.478 0.030 2 734 103 85 ARG HB3 H 1.610 0.030 2 735 103 85 ARG HD2 H 2.884 0.030 2 736 103 85 ARG HD3 H 2.819 0.030 2 737 103 85 ARG HE H 6.805 0.030 1 738 103 85 ARG CA C 54.455 0.300 1 739 103 85 ARG CB C 34.643 0.300 1 740 103 85 ARG CD C 42.713 0.300 1 741 103 85 ARG N N 123.183 0.300 1 742 103 85 ARG NE N 125.135 0.300 1 743 104 86 LYS H H 8.438 0.030 1 744 104 86 LYS HA H 4.075 0.030 1 745 104 86 LYS HB2 H 1.537 0.030 2 746 104 86 LYS HB3 H 1.687 0.030 2 747 104 86 LYS HG2 H 1.323 0.030 1 748 104 86 LYS HG3 H 1.323 0.030 1 749 104 86 LYS HD2 H 1.653 0.030 1 750 104 86 LYS HD3 H 1.653 0.030 1 751 104 86 LYS HE2 H 2.946 0.030 1 752 104 86 LYS HE3 H 2.946 0.030 1 753 104 86 LYS CA C 57.797 0.300 1 754 104 86 LYS CB C 31.764 0.300 1 755 104 86 LYS CG C 24.660 0.300 1 756 104 86 LYS CD C 29.483 0.300 1 757 104 86 LYS CE C 41.747 0.300 1 758 104 86 LYS N N 126.481 0.300 1 759 105 87 ALA H H 8.810 0.030 1 760 105 87 ALA HA H 4.662 0.030 1 761 105 87 ALA HB H 1.276 0.030 1 762 105 87 ALA CA C 50.915 0.300 1 763 105 87 ALA CB C 21.029 0.300 1 764 105 87 ALA N N 134.433 0.300 1 765 106 88 ASN H H 8.081 0.030 1 766 106 88 ASN HA H 5.471 0.030 1 767 106 88 ASN HB2 H 2.692 0.030 2 768 106 88 ASN HB3 H 2.585 0.030 2 769 106 88 ASN HD21 H 7.031 0.030 2 770 106 88 ASN HD22 H 7.709 0.030 2 771 106 88 ASN CA C 52.768 0.300 1 772 106 88 ASN CB C 40.981 0.300 1 773 106 88 ASN N N 114.916 0.300 1 774 106 88 ASN ND2 N 114.080 0.300 1 775 107 89 VAL H H 8.837 0.030 1 776 107 89 VAL HA H 5.208 0.030 1 777 107 89 VAL HB H 2.008 0.030 1 778 107 89 VAL HG1 H 1.003 0.030 1 779 107 89 VAL CA C 60.411 0.300 1 780 107 89 VAL CB C 35.444 0.300 1 781 107 89 VAL CG1 C 22.729 0.300 2 782 107 89 VAL N N 121.453 0.300 1 783 108 90 ASN H H 8.624 0.030 1 784 108 90 ASN HA H 4.927 0.030 1 785 108 90 ASN HB2 H 2.798 0.030 2 786 108 90 ASN HB3 H 3.021 0.030 2 787 108 90 ASN HD21 H 7.121 0.030 2 788 108 90 ASN HD22 H 6.737 0.030 2 789 108 90 ASN CA C 52.949 0.300 1 790 108 90 ASN CB C 42.243 0.300 1 791 108 90 ASN N N 118.543 0.300 1 792 108 90 ASN ND2 N 112.145 0.300 1 793 109 91 LEU H H 9.347 0.030 1 794 109 91 LEU HA H 4.476 0.030 1 795 109 91 LEU HB2 H 1.856 0.030 2 796 109 91 LEU HB3 H 1.784 0.030 2 797 109 91 LEU HG H 2.074 0.030 1 798 109 91 LEU HD1 H 0.886 0.030 1 799 109 91 LEU HD2 H 1.367 0.030 1 800 109 91 LEU CA C 56.922 0.300 1 801 109 91 LEU CB C 41.824 0.300 1 802 109 91 LEU CG C 27.261 0.300 1 803 109 91 LEU CD1 C 22.997 0.300 2 804 109 91 LEU CD2 C 26.758 0.300 2 805 109 91 LEU N N 123.738 0.300 1 806 110 92 ALA H H 9.613 0.030 1 807 110 92 ALA HA H 4.136 0.030 1 808 110 92 ALA HB H 1.655 0.030 1 809 110 92 ALA CA C 55.556 0.300 1 810 110 92 ALA CB C 18.059 0.300 1 811 110 92 ALA N N 127.559 0.300 1 812 111 93 TYR H H 8.916 0.030 1 813 111 93 TYR HA H 4.425 0.030 1 814 111 93 TYR HB2 H 2.917 0.030 2 815 111 93 TYR HB3 H 3.243 0.030 2 816 111 93 TYR HD1 H 7.122 0.030 1 817 111 93 TYR HD2 H 7.122 0.030 1 818 111 93 TYR HE1 H 6.752 0.030 1 819 111 93 TYR HE2 H 6.752 0.030 1 820 111 93 TYR CA C 59.786 0.300 1 821 111 93 TYR CB C 36.944 0.300 1 822 111 93 TYR CD1 C 133.718 0.300 1 823 111 93 TYR CD2 C 133.718 0.300 1 824 111 93 TYR CE1 C 118.512 0.300 1 825 111 93 TYR CE2 C 118.512 0.300 1 826 111 93 TYR N N 114.591 0.300 1 827 112 94 LEU H H 6.646 0.030 1 828 112 94 LEU HA H 3.592 0.030 1 829 112 94 LEU HB2 H 1.491 0.030 2 830 112 94 LEU HB3 H 1.358 0.030 2 831 112 94 LEU HD1 H 0.659 0.030 1 832 112 94 LEU HD2 H 0.960 0.030 1 833 112 94 LEU CA C 56.601 0.300 1 834 112 94 LEU CB C 42.172 0.300 1 835 112 94 LEU CD1 C 23.038 0.300 2 836 112 94 LEU CD2 C 26.095 0.300 2 837 112 94 LEU N N 120.414 0.300 1 838 113 95 GLY H H 6.856 0.030 1 839 113 95 GLY HA2 H 3.286 0.030 2 840 113 95 GLY HA3 H 4.322 0.030 2 841 113 95 GLY CA C 44.409 0.300 1 842 113 95 GLY N N 103.055 0.300 1 843 114 96 ALA H H 6.775 0.030 1 844 114 96 ALA HA H 3.868 0.030 1 845 114 96 ALA HB H 1.313 0.030 1 846 114 96 ALA CA C 52.168 0.300 1 847 114 96 ALA CB C 19.411 0.300 1 848 114 96 ALA N N 122.881 0.300 1 849 115 97 LYS H H 8.066 0.030 1 850 115 97 LYS HA H 4.464 0.030 1 851 115 97 LYS HB2 H 1.717 0.030 1 852 115 97 LYS HB3 H 1.717 0.030 1 853 115 97 LYS HG2 H 1.420 0.030 2 854 115 97 LYS HG3 H 1.503 0.030 2 855 115 97 LYS HD2 H 1.716 0.030 2 856 115 97 LYS HE2 H 2.992 0.030 2 857 115 97 LYS HE3 H 3.587 0.030 2 858 115 97 LYS CA C 54.087 0.300 1 859 115 97 LYS CB C 32.393 0.300 1 860 115 97 LYS CG C 24.585 0.300 1 861 115 97 LYS CD C 28.700 0.300 1 862 115 97 LYS CE C 42.117 0.300 1 863 115 97 LYS N N 122.883 0.300 1 864 116 98 PRO HA H 4.406 0.030 1 865 116 98 PRO HB2 H 2.256 0.030 2 866 116 98 PRO HB3 H 1.871 0.030 2 867 116 98 PRO HG2 H 2.004 0.030 1 868 116 98 PRO HG3 H 2.004 0.030 1 869 116 98 PRO HD2 H 3.596 0.030 2 870 116 98 PRO HD3 H 3.802 0.030 2 871 116 98 PRO CA C 63.029 0.300 1 872 116 98 PRO CB C 32.162 0.300 1 873 116 98 PRO CG C 27.487 0.300 1 874 116 98 PRO CD C 50.599 0.300 1 875 117 99 ARG H H 8.500 0.030 1 876 117 99 ARG HA H 4.381 0.030 1 877 117 99 ARG HB2 H 1.759 0.030 2 878 117 99 ARG HB3 H 1.863 0.030 2 879 117 99 ARG HD2 H 3.188 0.030 2 880 117 99 ARG CA C 56.221 0.300 1 881 117 99 ARG CB C 30.765 0.300 1 882 117 99 ARG CD C 43.369 0.300 1 883 117 99 ARG N N 121.920 0.300 1 stop_ save_