data_19758 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the two TPR domains of the human RPAP3 protein ; _BMRB_accession_number 19758 _BMRB_flat_file_name bmr19758.str _Entry_type original _Submission_date 2014-01-30 _Accession_date 2014-01-30 _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 Chagot Marie-Eve . . 2 Jacquemin 'Cl mence' . . 3 Charpentier Bruno . . 4 Manival Xavier . . 5 Quinternet Marc . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 758 "13C chemical shifts" 537 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-13 original BMRB . stop_ _Original_release_date 2014-01-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (15)N and (13)C resonance assignments of the two TPR domains from the human RPAP3 protein. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24668569 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chagot Marie-Eve . . 2 Jacquemin Clemence . . 3 Branlant Christiane . . 4 Charpentier Bruno . . 5 Manival Xavier . . 6 Quinternet Marc . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 99 _Page_last 102 _Year 2014 _Details . loop_ _Keyword HSP90 r2tp snoRNP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RPAP3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TPR1 $rpap3(133-255) 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_rpap3(133-255) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rpap3(133-255) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GPHMALVLKEKGNKYFKQGK YDEAIDCYTKGMDADPYNPV LPTNRASAYFRLKKFAVAES DCNLAVALNRSYTKAYSRRG AARFALQKLEEAKKDYERVL ELEPNNFEATNELRKISQAL ASKENSY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 HIS 4 4 MET 5 5 ALA 6 6 LEU 7 7 VAL 8 8 LEU 9 9 LYS 10 10 GLU 11 11 LYS 12 12 GLY 13 13 ASN 14 14 LYS 15 15 TYR 16 16 PHE 17 17 LYS 18 18 GLN 19 19 GLY 20 20 LYS 21 21 TYR 22 22 ASP 23 23 GLU 24 24 ALA 25 25 ILE 26 26 ASP 27 27 CYS 28 28 TYR 29 29 THR 30 30 LYS 31 31 GLY 32 32 MET 33 33 ASP 34 34 ALA 35 35 ASP 36 36 PRO 37 37 TYR 38 38 ASN 39 39 PRO 40 40 VAL 41 41 LEU 42 42 PRO 43 43 THR 44 44 ASN 45 45 ARG 46 46 ALA 47 47 SER 48 48 ALA 49 49 TYR 50 50 PHE 51 51 ARG 52 52 LEU 53 53 LYS 54 54 LYS 55 55 PHE 56 56 ALA 57 57 VAL 58 58 ALA 59 59 GLU 60 60 SER 61 61 ASP 62 62 CYS 63 63 ASN 64 64 LEU 65 65 ALA 66 66 VAL 67 67 ALA 68 68 LEU 69 69 ASN 70 70 ARG 71 71 SER 72 72 TYR 73 73 THR 74 74 LYS 75 75 ALA 76 76 TYR 77 77 SER 78 78 ARG 79 79 ARG 80 80 GLY 81 81 ALA 82 82 ALA 83 83 ARG 84 84 PHE 85 85 ALA 86 86 LEU 87 87 GLN 88 88 LYS 89 89 LEU 90 90 GLU 91 91 GLU 92 92 ALA 93 93 LYS 94 94 LYS 95 95 ASP 96 96 TYR 97 97 GLU 98 98 ARG 99 99 VAL 100 100 LEU 101 101 GLU 102 102 LEU 103 103 GLU 104 104 PRO 105 105 ASN 106 106 ASN 107 107 PHE 108 108 GLU 109 109 ALA 110 110 THR 111 111 ASN 112 112 GLU 113 113 LEU 114 114 ARG 115 115 LYS 116 116 ILE 117 117 SER 118 118 GLN 119 119 ALA 120 120 LEU 121 121 ALA 122 122 SER 123 123 LYS 124 124 GLU 125 125 ASN 126 126 SER 127 127 TYR 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 $rpap3(133-255) Human 9606 Eukaryota Metazoa Homo sapiens 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 $rpap3(133-255) 'recombinant technology' . Escherichia coli . pnEA-3CH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rpap3(133-255) 1.0 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 150 mM 'natural abundance' DTT 10 mM '[U-99% 2H]' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 150 . mM pH 6.4 . pH pressure 1 . atm temperature 303 . 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 . 'separate tube (no insert) not similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) not similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) not similar to the experimental sample tube' . 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_ _Software_label $TOPSPIN $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HCCH-COSY' '3D 1H-13C NOESY aromatic' 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 TPR1 _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 2 2 PRO HA H 4.455 0.020 1 2 2 2 PRO HB2 H 1.974 0.020 1 3 2 2 PRO HB3 H 2.431 0.020 1 4 2 2 PRO HG2 H 2.098 0.020 2 5 2 2 PRO HG3 H 2.098 0.020 2 6 2 2 PRO HD2 H 3.709 0.020 2 7 2 2 PRO HD3 H 3.709 0.020 2 8 2 2 PRO CA C 64.095 0.300 1 9 2 2 PRO CB C 32.480 0.300 1 10 2 2 PRO CG C 27.277 0.300 1 11 2 2 PRO CD C 49.980 0.300 1 12 3 3 HIS HA H 4.465 0.020 1 13 3 3 HIS HB2 H 3.229 0.020 1 14 3 3 HIS HB3 H 3.315 0.020 1 15 3 3 HIS HD2 H 7.170 0.020 1 16 3 3 HIS HE1 H 8.031 0.020 1 17 3 3 HIS C C 177.229 0.300 1 18 3 3 HIS CA C 59.068 0.300 1 19 3 3 HIS CB C 29.867 0.300 1 20 3 3 HIS CD2 C 119.404 0.300 1 21 3 3 HIS CE1 C 137.957 0.300 1 22 4 4 MET H H 8.454 0.020 1 23 4 4 MET HA H 4.322 0.020 1 24 4 4 MET HB2 H 2.033 0.020 1 25 4 4 MET HB3 H 2.205 0.020 1 26 4 4 MET HG2 H 2.638 0.020 2 27 4 4 MET HG3 H 2.638 0.020 2 28 4 4 MET HE H 2.123 0.020 1 29 4 4 MET C C 178.216 0.300 1 30 4 4 MET CA C 57.309 0.300 1 31 4 4 MET CB C 31.975 0.300 1 32 4 4 MET CG C 31.975 0.300 1 33 4 4 MET CE C 16.631 0.300 1 34 4 4 MET N N 120.001 0.300 1 35 5 5 ALA H H 8.272 0.020 1 36 5 5 ALA HA H 4.055 0.020 1 37 5 5 ALA HB H 1.615 0.020 1 38 5 5 ALA C C 179.196 0.300 1 39 5 5 ALA CA C 55.656 0.300 1 40 5 5 ALA CB C 20.121 0.300 1 41 5 5 ALA N N 120.119 0.300 1 42 6 6 LEU H H 7.614 0.020 1 43 6 6 LEU HA H 4.144 0.020 1 44 6 6 LEU HB2 H 1.776 0.020 1 45 6 6 LEU HB3 H 1.886 0.020 1 46 6 6 LEU HG H 1.771 0.020 1 47 6 6 LEU HD1 H 0.903 0.020 2 48 6 6 LEU HD2 H 0.997 0.020 2 49 6 6 LEU C C 179.340 0.300 1 50 6 6 LEU CA C 57.993 0.300 1 51 6 6 LEU CB C 41.246 0.300 1 52 6 6 LEU CG C 26.950 0.300 1 53 6 6 LEU CD1 C 23.807 0.300 1 54 6 6 LEU CD2 C 24.656 0.300 1 55 6 6 LEU N N 118.447 0.300 1 56 7 7 VAL H H 7.657 0.020 1 57 7 7 VAL HA H 3.682 0.020 1 58 7 7 VAL HB H 2.242 0.020 1 59 7 7 VAL HG1 H 0.942 0.020 2 60 7 7 VAL HG2 H 0.970 0.020 2 61 7 7 VAL C C 179.705 0.300 1 62 7 7 VAL CA C 66.200 0.300 1 63 7 7 VAL CB C 31.875 0.300 1 64 7 7 VAL CG1 C 20.945 0.300 1 65 7 7 VAL CG2 C 22.133 0.300 1 66 7 7 VAL N N 120.789 0.300 1 67 8 8 LEU H H 8.139 0.020 1 68 8 8 LEU HA H 4.013 0.020 1 69 8 8 LEU HB2 H 1.637 0.020 1 70 8 8 LEU HB3 H 1.765 0.020 1 71 8 8 LEU HG H 1.595 0.020 1 72 8 8 LEU HD1 H 0.972 0.020 2 73 8 8 LEU HD2 H 0.788 0.020 2 74 8 8 LEU C C 179.135 0.300 1 75 8 8 LEU CA C 58.184 0.300 1 76 8 8 LEU CB C 40.901 0.300 1 77 8 8 LEU CG C 27.760 0.300 1 78 8 8 LEU CD1 C 22.738 0.300 1 79 8 8 LEU CD2 C 25.087 0.300 1 80 8 8 LEU N N 120.886 0.300 1 81 9 9 LYS H H 8.410 0.020 1 82 9 9 LYS HA H 3.877 0.020 1 83 9 9 LYS HB2 H 1.591 0.020 2 84 9 9 LYS HB3 H 1.591 0.020 2 85 9 9 LYS HG2 H 1.418 0.020 2 86 9 9 LYS HG3 H 1.418 0.020 2 87 9 9 LYS HD2 H 2.016 0.020 2 88 9 9 LYS HD3 H 2.016 0.020 2 89 9 9 LYS HE2 H 2.855 0.020 1 90 9 9 LYS HE3 H 3.040 0.020 1 91 9 9 LYS C C 177.910 0.300 1 92 9 9 LYS CA C 60.610 0.300 1 93 9 9 LYS CB C 29.273 0.300 1 94 9 9 LYS CG C 24.373 0.300 1 95 9 9 LYS CD C 31.125 0.300 1 96 9 9 LYS CE C 41.742 0.300 1 97 9 9 LYS N N 120.934 0.300 1 98 10 10 GLU H H 8.179 0.020 1 99 10 10 GLU HA H 4.099 0.020 1 100 10 10 GLU HB2 H 2.127 0.020 2 101 10 10 GLU HB3 H 2.127 0.020 2 102 10 10 GLU HG2 H 2.336 0.020 1 103 10 10 GLU HG3 H 2.467 0.020 1 104 10 10 GLU C C 179.595 0.300 1 105 10 10 GLU CA C 59.556 0.300 1 106 10 10 GLU CB C 29.067 0.300 1 107 10 10 GLU CG C 36.431 0.300 1 108 10 10 GLU N N 118.181 0.300 1 109 11 11 LYS H H 8.298 0.020 1 110 11 11 LYS HA H 3.889 0.020 1 111 11 11 LYS HB2 H 1.900 0.020 2 112 11 11 LYS HB3 H 1.900 0.020 2 113 11 11 LYS HG2 H 1.470 0.020 2 114 11 11 LYS HG3 H 1.470 0.020 2 115 11 11 LYS HD2 H 1.627 0.020 1 116 11 11 LYS HD3 H 1.678 0.020 1 117 11 11 LYS HE2 H 2.928 0.020 2 118 11 11 LYS HE3 H 2.928 0.020 2 119 11 11 LYS C C 179.127 0.300 1 120 11 11 LYS CA C 59.735 0.300 1 121 11 11 LYS CB C 33.271 0.300 1 122 11 11 LYS CG C 25.610 0.300 1 123 11 11 LYS CD C 29.682 0.300 1 124 11 11 LYS CE C 42.013 0.300 1 125 11 11 LYS N N 121.573 0.300 1 126 12 12 GLY H H 8.712 0.020 1 127 12 12 GLY HA2 H 3.268 0.020 1 128 12 12 GLY HA3 H 3.653 0.020 1 129 12 12 GLY C C 174.834 0.300 1 130 12 12 GLY CA C 47.990 0.300 1 131 12 12 GLY N N 106.756 0.300 1 132 13 13 ASN H H 8.959 0.020 1 133 13 13 ASN HA H 4.551 0.020 1 134 13 13 ASN HB2 H 2.976 0.020 1 135 13 13 ASN HB3 H 3.197 0.020 1 136 13 13 ASN HD21 H 6.986 0.020 1 137 13 13 ASN HD22 H 7.824 0.020 1 138 13 13 ASN C C 177.835 0.300 1 139 13 13 ASN CA C 55.421 0.300 1 140 13 13 ASN CB C 37.158 0.300 1 141 13 13 ASN N N 121.028 0.300 1 142 13 13 ASN ND2 N 110.661 0.300 1 143 14 14 LYS H H 7.984 0.020 1 144 14 14 LYS HA H 4.062 0.020 1 145 14 14 LYS HB2 H 1.816 0.020 2 146 14 14 LYS HB3 H 1.816 0.020 2 147 14 14 LYS HG2 H 1.242 0.020 1 148 14 14 LYS HG3 H 1.499 0.020 1 149 14 14 LYS HD2 H 1.566 0.020 1 150 14 14 LYS HD3 H 1.850 0.020 1 151 14 14 LYS HE2 H 2.851 0.020 2 152 14 14 LYS HE3 H 2.851 0.020 2 153 14 14 LYS C C 179.663 0.300 1 154 14 14 LYS CA C 60.096 0.300 1 155 14 14 LYS CB C 31.496 0.300 1 156 14 14 LYS CG C 25.173 0.300 1 157 14 14 LYS CD C 29.162 0.300 1 158 14 14 LYS CE C 42.134 0.300 1 159 14 14 LYS N N 123.022 0.300 1 160 15 15 TYR H H 7.797 0.020 1 161 15 15 TYR HA H 4.409 0.020 1 162 15 15 TYR HB2 H 2.801 0.020 1 163 15 15 TYR HB3 H 3.604 0.020 1 164 15 15 TYR HD1 H 6.997 0.020 1 165 15 15 TYR HD2 H 6.997 0.020 1 166 15 15 TYR HE1 H 6.694 0.020 1 167 15 15 TYR HE2 H 6.694 0.020 1 168 15 15 TYR C C 178.788 0.300 1 169 15 15 TYR CA C 60.904 0.300 1 170 15 15 TYR CB C 36.966 0.300 1 171 15 15 TYR CD1 C 132.699 0.300 1 172 15 15 TYR CE1 C 118.400 0.300 1 173 15 15 TYR N N 118.514 0.300 1 174 16 16 PHE H H 9.325 0.020 1 175 16 16 PHE HA H 3.664 0.020 1 176 16 16 PHE HB2 H 3.316 0.020 2 177 16 16 PHE HB3 H 3.316 0.020 2 178 16 16 PHE C C 179.285 0.300 1 179 16 16 PHE CA C 62.369 0.300 1 180 16 16 PHE CB C 40.133 0.300 1 181 16 16 PHE N N 122.316 0.300 1 182 17 17 LYS H H 8.375 0.020 1 183 17 17 LYS HA H 4.141 0.020 1 184 17 17 LYS HB2 H 2.098 0.020 2 185 17 17 LYS HB3 H 2.098 0.020 2 186 17 17 LYS HG2 H 1.682 0.020 1 187 17 17 LYS HG3 H 1.796 0.020 1 188 17 17 LYS HD2 H 1.675 0.020 1 189 17 17 LYS HD3 H 1.807 0.020 1 190 17 17 LYS HE2 H 2.978 0.020 1 191 17 17 LYS HE3 H 3.054 0.020 1 192 17 17 LYS C C 177.639 0.300 1 193 17 17 LYS CA C 59.304 0.300 1 194 17 17 LYS CB C 32.532 0.300 1 195 17 17 LYS CG C 25.629 0.300 1 196 17 17 LYS CD C 29.298 0.300 1 197 17 17 LYS CE C 42.309 0.300 1 198 17 17 LYS N N 120.497 0.300 1 199 18 18 GLN H H 7.369 0.020 1 200 18 18 GLN HA H 4.350 0.020 1 201 18 18 GLN HB2 H 2.168 0.020 1 202 18 18 GLN HB3 H 2.252 0.020 1 203 18 18 GLN HG2 H 2.450 0.020 1 204 18 18 GLN HG3 H 2.617 0.020 1 205 18 18 GLN HE21 H 6.693 0.020 1 206 18 18 GLN HE22 H 7.208 0.020 1 207 18 18 GLN C C 176.026 0.300 1 208 18 18 GLN CA C 55.608 0.300 1 209 18 18 GLN CB C 29.768 0.300 1 210 18 18 GLN CG C 34.137 0.300 1 211 18 18 GLN N N 115.173 0.300 1 212 18 18 GLN NE2 N 109.960 0.300 1 213 19 19 GLY H H 7.729 0.020 1 214 19 19 GLY HA2 H 2.783 0.020 1 215 19 19 GLY HA3 H 3.822 0.020 1 216 19 19 GLY C C 173.612 0.300 1 217 19 19 GLY CA C 44.668 0.300 1 218 19 19 GLY N N 107.940 0.300 1 219 20 20 LYS H H 7.729 0.020 1 220 20 20 LYS HA H 4.338 0.020 1 221 20 20 LYS HB2 H 1.652 0.020 1 222 20 20 LYS HB3 H 1.859 0.020 1 223 20 20 LYS HG2 H 1.221 0.020 1 224 20 20 LYS HG3 H 1.301 0.020 1 225 20 20 LYS HD2 H 1.616 0.020 2 226 20 20 LYS HD3 H 1.616 0.020 2 227 20 20 LYS HE2 H 2.940 0.020 2 228 20 20 LYS HE3 H 2.940 0.020 2 229 20 20 LYS C C 176.320 0.300 1 230 20 20 LYS CA C 53.664 0.300 1 231 20 20 LYS CB C 30.008 0.300 1 232 20 20 LYS CG C 24.610 0.300 1 233 20 20 LYS CD C 29.527 0.300 1 234 20 20 LYS CE C 42.403 0.300 1 235 20 20 LYS N N 122.431 0.300 1 236 21 21 TYR H H 6.851 0.020 1 237 21 21 TYR HA H 4.010 0.020 1 238 21 21 TYR HB2 H 2.744 0.020 1 239 21 21 TYR HB3 H 2.973 0.020 1 240 21 21 TYR HD1 H 6.876 0.020 1 241 21 21 TYR HD2 H 6.876 0.020 1 242 21 21 TYR HE1 H 6.278 0.020 1 243 21 21 TYR HE2 H 6.278 0.020 1 244 21 21 TYR C C 177.395 0.300 1 245 21 21 TYR CA C 61.944 0.300 1 246 21 21 TYR CB C 37.494 0.300 1 247 21 21 TYR CD1 C 131.720 0.300 1 248 21 21 TYR CE1 C 119.280 0.300 1 249 21 21 TYR N N 119.614 0.300 1 250 22 22 ASP H H 8.580 0.020 1 251 22 22 ASP HA H 4.200 0.020 1 252 22 22 ASP HB2 H 2.428 0.020 1 253 22 22 ASP HB3 H 2.514 0.020 1 254 22 22 ASP C C 178.861 0.300 1 255 22 22 ASP CA C 58.140 0.300 1 256 22 22 ASP CB C 40.005 0.300 1 257 22 22 ASP N N 119.659 0.300 1 258 23 23 GLU H H 9.137 0.020 1 259 23 23 GLU HA H 3.691 0.020 1 260 23 23 GLU HB2 H 0.381 0.020 1 261 23 23 GLU HB3 H 1.165 0.020 1 262 23 23 GLU HG2 H 1.899 0.020 2 263 23 23 GLU HG3 H 1.899 0.020 2 264 23 23 GLU C C 179.458 0.300 1 265 23 23 GLU CA C 60.133 0.300 1 266 23 23 GLU CB C 26.562 0.300 1 267 23 23 GLU CG C 37.421 0.300 1 268 23 23 GLU N N 122.996 0.300 1 269 24 24 ALA H H 8.013 0.020 1 270 24 24 ALA HA H 3.829 0.020 1 271 24 24 ALA HB H 1.589 0.020 1 272 24 24 ALA C C 177.796 0.300 1 273 24 24 ALA CA C 55.974 0.300 1 274 24 24 ALA CB C 17.774 0.300 1 275 24 24 ALA N N 121.913 0.300 1 276 25 25 ILE H H 8.508 0.020 1 277 25 25 ILE HA H 3.384 0.020 1 278 25 25 ILE HB H 1.926 0.020 1 279 25 25 ILE HG12 H 0.516 0.020 1 280 25 25 ILE HG13 H 1.706 0.020 1 281 25 25 ILE HG2 H 0.792 0.020 1 282 25 25 ILE HD1 H 0.165 0.020 1 283 25 25 ILE C C 178.842 0.300 1 284 25 25 ILE CA C 67.069 0.300 1 285 25 25 ILE CB C 37.935 0.300 1 286 25 25 ILE CG1 C 32.372 0.300 1 287 25 25 ILE CG2 C 17.421 0.300 1 288 25 25 ILE CD1 C 13.691 0.300 1 289 25 25 ILE N N 117.748 0.300 1 290 26 26 ASP H H 7.814 0.020 1 291 26 26 ASP HA H 4.418 0.020 1 292 26 26 ASP HB2 H 2.704 0.020 1 293 26 26 ASP HB3 H 2.793 0.020 1 294 26 26 ASP C C 178.060 0.300 1 295 26 26 ASP CA C 58.046 0.300 1 296 26 26 ASP CB C 41.477 0.300 1 297 26 26 ASP N N 122.986 0.300 1 298 27 27 CYS H H 7.579 0.020 1 299 27 27 CYS HA H 4.086 0.020 1 300 27 27 CYS HB2 H 2.812 0.020 1 301 27 27 CYS HB3 H 3.032 0.020 1 302 27 27 CYS C C 177.688 0.300 1 303 27 27 CYS CA C 64.582 0.300 1 304 27 27 CYS CB C 26.505 0.300 1 305 27 27 CYS N N 116.448 0.300 1 306 28 28 TYR H H 8.863 0.020 1 307 28 28 TYR HA H 4.414 0.020 1 308 28 28 TYR HB2 H 2.740 0.020 1 309 28 28 TYR HB3 H 3.137 0.020 1 310 28 28 TYR C C 177.933 0.300 1 311 28 28 TYR CA C 58.751 0.300 1 312 28 28 TYR CB C 37.254 0.300 1 313 28 28 TYR N N 117.939 0.300 1 314 29 29 THR H H 8.709 0.020 1 315 29 29 THR HA H 4.078 0.020 1 316 29 29 THR HB H 4.553 0.020 1 317 29 29 THR HG2 H 1.246 0.020 1 318 29 29 THR C C 176.444 0.300 1 319 29 29 THR CA C 67.344 0.300 1 320 29 29 THR CB C 68.935 0.300 1 321 29 29 THR CG2 C 21.014 0.300 1 322 29 29 THR N N 117.323 0.300 1 323 30 30 LYS H H 7.992 0.020 1 324 30 30 LYS HA H 4.186 0.020 1 325 30 30 LYS HB2 H 1.902 0.020 2 326 30 30 LYS HB3 H 1.902 0.020 2 327 30 30 LYS HG2 H 1.683 0.020 2 328 30 30 LYS HG3 H 1.683 0.020 2 329 30 30 LYS HD2 H 1.481 0.020 2 330 30 30 LYS HD3 H 1.481 0.020 2 331 30 30 LYS HE2 H 2.981 0.020 2 332 30 30 LYS HE3 H 2.981 0.020 2 333 30 30 LYS C C 180.914 0.300 1 334 30 30 LYS CA C 59.562 0.300 1 335 30 30 LYS CB C 33.031 0.300 1 336 30 30 LYS CG C 26.384 0.300 1 337 30 30 LYS CD C 29.115 0.300 1 338 30 30 LYS CE C 42.298 0.300 1 339 30 30 LYS N N 122.161 0.300 1 340 31 31 GLY H H 8.850 0.020 1 341 31 31 GLY HA2 H 3.585 0.020 1 342 31 31 GLY HA3 H 3.679 0.020 1 343 31 31 GLY C C 174.267 0.300 1 344 31 31 GLY CA C 48.245 0.300 1 345 31 31 GLY N N 110.213 0.300 1 346 32 32 MET H H 8.421 0.020 1 347 32 32 MET HA H 3.872 0.020 1 348 32 32 MET HB2 H 2.206 0.020 2 349 32 32 MET HB3 H 2.206 0.020 2 350 32 32 MET HG2 H 1.294 0.020 1 351 32 32 MET HG3 H 1.489 0.020 1 352 32 32 MET HE H 1.976 0.020 1 353 32 32 MET C C 177.746 0.300 1 354 32 32 MET CA C 58.906 0.300 1 355 32 32 MET CB C 33.730 0.300 1 356 32 32 MET CG C 32.381 0.300 1 357 32 32 MET CE C 15.920 0.300 1 358 32 32 MET N N 123.127 0.300 1 359 33 33 ASP H H 7.320 0.020 1 360 33 33 ASP HA H 4.380 0.020 1 361 33 33 ASP HB2 H 2.666 0.020 1 362 33 33 ASP HB3 H 2.738 0.020 1 363 33 33 ASP C C 177.630 0.300 1 364 33 33 ASP CA C 56.541 0.300 1 365 33 33 ASP CB C 40.997 0.300 1 366 33 33 ASP N N 116.786 0.300 1 367 34 34 ALA H H 7.208 0.020 1 368 34 34 ALA HA H 4.309 0.020 1 369 34 34 ALA HB H 1.502 0.020 1 370 34 34 ALA C C 177.806 0.300 1 371 34 34 ALA CA C 53.604 0.300 1 372 34 34 ALA CB C 18.478 0.300 1 373 34 34 ALA N N 119.880 0.300 1 374 35 35 ASP H H 7.933 0.020 1 375 35 35 ASP HA H 4.954 0.020 1 376 35 35 ASP HB2 H 2.236 0.020 1 377 35 35 ASP HB3 H 2.821 0.020 1 378 35 35 ASP CA C 51.638 0.300 1 379 35 35 ASP CB C 41.626 0.300 1 380 35 35 ASP N N 114.768 0.300 1 381 36 36 PRO HA H 4.635 0.020 1 382 36 36 PRO HB2 H 1.323 0.020 1 383 36 36 PRO HB3 H 2.221 0.020 1 384 36 36 PRO HG2 H 1.315 0.020 1 385 36 36 PRO HG3 H 1.876 0.020 1 386 36 36 PRO HD2 H 3.394 0.020 1 387 36 36 PRO HD3 H 3.612 0.020 1 388 36 36 PRO C C 176.447 0.300 1 389 36 36 PRO CA C 63.743 0.300 1 390 36 36 PRO CB C 32.238 0.300 1 391 36 36 PRO CG C 26.141 0.300 1 392 36 36 PRO CD C 50.602 0.300 1 393 37 37 TYR H H 7.905 0.020 1 394 37 37 TYR HA H 4.798 0.020 1 395 37 37 TYR HB2 H 2.831 0.020 1 396 37 37 TYR HB3 H 3.379 0.020 1 397 37 37 TYR HD1 H 7.138 0.020 1 398 37 37 TYR HD2 H 7.138 0.020 1 399 37 37 TYR HE1 H 6.868 0.020 1 400 37 37 TYR HE2 H 6.868 0.020 1 401 37 37 TYR C C 174.971 0.300 1 402 37 37 TYR CA C 57.083 0.300 1 403 37 37 TYR CB C 37.638 0.300 1 404 37 37 TYR CD1 C 133.065 0.300 1 405 37 37 TYR CE1 C 118.369 0.300 1 406 37 37 TYR N N 116.190 0.300 1 407 38 38 ASN H H 6.778 0.020 1 408 38 38 ASN HA H 4.982 0.020 1 409 38 38 ASN HB2 H 2.849 0.020 1 410 38 38 ASN HB3 H 2.897 0.020 1 411 38 38 ASN HD21 H 6.921 0.020 1 412 38 38 ASN HD22 H 8.075 0.020 1 413 38 38 ASN C C 175.811 0.300 1 414 38 38 ASN CA C 50.157 0.300 1 415 38 38 ASN CB C 39.657 0.300 1 416 38 38 ASN N N 118.789 0.300 1 417 38 38 ASN ND2 N 111.845 0.300 1 418 39 39 PRO HA H 4.650 0.020 1 419 39 39 PRO HB2 H 1.319 0.020 1 420 39 39 PRO HB3 H 2.182 0.020 1 421 39 39 PRO HG2 H 1.319 0.020 1 422 39 39 PRO HG3 H 1.788 0.020 1 423 39 39 PRO HD2 H 4.002 0.020 2 424 39 39 PRO HD3 H 4.002 0.020 2 425 39 39 PRO C C 176.812 0.300 1 426 39 39 PRO CA C 64.485 0.300 1 427 39 39 PRO CB C 32.119 0.300 1 428 39 39 PRO CG C 26.634 0.300 1 429 39 39 PRO CD C 50.768 0.300 1 430 40 40 VAL H H 7.924 0.020 1 431 40 40 VAL HA H 3.451 0.020 1 432 40 40 VAL HB H 1.874 0.020 1 433 40 40 VAL HG1 H 0.850 0.020 2 434 40 40 VAL HG2 H 0.980 0.020 2 435 40 40 VAL C C 177.131 0.300 1 436 40 40 VAL CA C 65.245 0.300 1 437 40 40 VAL CB C 31.897 0.300 1 438 40 40 VAL CG1 C 21.152 0.300 1 439 40 40 VAL CG2 C 21.837 0.300 1 440 40 40 VAL N N 122.272 0.300 1 441 41 41 LEU H H 6.468 0.020 1 442 41 41 LEU HA H 3.828 0.020 1 443 41 41 LEU HB2 H 1.384 0.020 1 444 41 41 LEU HB3 H 2.149 0.020 1 445 41 41 LEU HG H 1.487 0.020 1 446 41 41 LEU HD1 H 0.979 0.020 2 447 41 41 LEU HD2 H 1.020 0.020 2 448 41 41 LEU C C 175.166 0.300 1 449 41 41 LEU CA C 59.642 0.300 1 450 41 41 LEU CB C 39.812 0.300 1 451 41 41 LEU CG C 28.417 0.300 1 452 41 41 LEU CD1 C 23.527 0.300 1 453 41 41 LEU CD2 C 25.541 0.300 1 454 41 41 LEU N N 116.534 0.300 1 455 42 42 PRO HA H 4.372 0.020 1 456 42 42 PRO HB2 H 2.136 0.020 1 457 42 42 PRO HB3 H 2.191 0.020 1 458 42 42 PRO HG2 H 1.850 0.020 1 459 42 42 PRO HG3 H 1.965 0.020 1 460 42 42 PRO HD2 H 3.351 0.020 1 461 42 42 PRO HD3 H 4.171 0.020 1 462 42 42 PRO C C 178.040 0.300 1 463 42 42 PRO CA C 65.254 0.300 1 464 42 42 PRO CB C 29.624 0.300 1 465 42 42 PRO CG C 27.058 0.300 1 466 42 42 PRO CD C 49.643 0.300 1 467 43 43 THR H H 6.797 0.020 1 468 43 43 THR HA H 3.757 0.020 1 469 43 43 THR HB H 4.227 0.020 1 470 43 43 THR HG2 H 1.032 0.020 1 471 43 43 THR C C 176.015 0.300 1 472 43 43 THR CA C 68.022 0.300 1 473 43 43 THR CB C 66.922 0.300 1 474 43 43 THR CG2 C 21.844 0.300 1 475 43 43 THR N N 115.606 0.300 1 476 44 44 ASN H H 8.273 0.020 1 477 44 44 ASN HA H 4.037 0.020 1 478 44 44 ASN HB2 H 1.653 0.020 1 479 44 44 ASN HB3 H 1.907 0.020 1 480 44 44 ASN HD21 H 5.630 0.020 1 481 44 44 ASN HD22 H 6.993 0.020 1 482 44 44 ASN C C 177.725 0.300 1 483 44 44 ASN CA C 55.328 0.300 1 484 44 44 ASN CB C 34.850 0.300 1 485 44 44 ASN N N 123.582 0.300 1 486 44 44 ASN ND2 N 106.024 0.300 1 487 45 45 ARG H H 8.354 0.020 1 488 45 45 ARG HA H 3.782 0.020 1 489 45 45 ARG HB2 H 1.456 0.020 1 490 45 45 ARG HB3 H 2.673 0.020 1 491 45 45 ARG HG2 H 2.220 0.020 2 492 45 45 ARG HG3 H 2.220 0.020 2 493 45 45 ARG HD2 H 3.408 0.020 2 494 45 45 ARG HD3 H 3.408 0.020 2 495 45 45 ARG C C 177.923 0.300 1 496 45 45 ARG CA C 61.918 0.300 1 497 45 45 ARG CB C 31.112 0.300 1 498 45 45 ARG CG C 28.810 0.300 1 499 45 45 ARG CD C 44.540 0.300 1 500 45 45 ARG N N 124.032 0.300 1 501 46 46 ALA H H 8.852 0.020 1 502 46 46 ALA HA H 4.327 0.020 1 503 46 46 ALA HB H 1.881 0.020 1 504 46 46 ALA C C 180.748 0.300 1 505 46 46 ALA CA C 55.800 0.300 1 506 46 46 ALA CB C 20.998 0.300 1 507 46 46 ALA N N 122.023 0.300 1 508 47 47 SER H H 8.186 0.020 1 509 47 47 SER HA H 4.095 0.020 1 510 47 47 SER HB2 H 3.932 0.020 2 511 47 47 SER HB3 H 3.932 0.020 2 512 47 47 SER C C 176.202 0.300 1 513 47 47 SER CA C 62.254 0.300 1 514 47 47 SER CB C 62.507 0.300 1 515 47 47 SER N N 114.285 0.300 1 516 48 48 ALA H H 7.964 0.020 1 517 48 48 ALA HA H 4.191 0.020 1 518 48 48 ALA HB H 1.744 0.020 1 519 48 48 ALA C C 178.441 0.300 1 520 48 48 ALA CA C 55.944 0.300 1 521 48 48 ALA CB C 18.744 0.300 1 522 48 48 ALA N N 125.342 0.300 1 523 49 49 TYR H H 8.801 0.020 1 524 49 49 TYR HA H 4.192 0.020 1 525 49 49 TYR HB2 H 2.858 0.020 1 526 49 49 TYR HB3 H 3.302 0.020 1 527 49 49 TYR HD1 H 7.013 0.020 1 528 49 49 TYR HD2 H 7.013 0.020 1 529 49 49 TYR HE1 H 6.799 0.020 1 530 49 49 TYR HE2 H 6.799 0.020 1 531 49 49 TYR C C 179.067 0.300 1 532 49 49 TYR CA C 62.881 0.300 1 533 49 49 TYR CB C 37.014 0.300 1 534 49 49 TYR CD1 C 133.070 0.300 1 535 49 49 TYR CE1 C 118.842 0.300 1 536 49 49 TYR N N 117.564 0.300 1 537 50 50 PHE H H 9.255 0.020 1 538 50 50 PHE HA H 3.701 0.020 1 539 50 50 PHE HB2 H 3.099 0.020 1 540 50 50 PHE HB3 H 3.310 0.020 1 541 50 50 PHE HD1 H 7.136 0.020 1 542 50 50 PHE HD2 H 7.136 0.020 1 543 50 50 PHE HE1 H 7.385 0.020 1 544 50 50 PHE HE2 H 7.385 0.020 1 545 50 50 PHE HZ H 7.513 0.020 1 546 50 50 PHE C C 179.319 0.300 1 547 50 50 PHE CA C 62.350 0.300 1 548 50 50 PHE CB C 39.989 0.300 1 549 50 50 PHE CD1 C 131.196 0.300 1 550 50 50 PHE CE1 C 132.775 0.300 1 551 50 50 PHE CZ C 131.358 0.300 1 552 50 50 PHE N N 120.898 0.300 1 553 51 51 ARG H H 7.772 0.020 1 554 51 51 ARG HA H 3.976 0.020 1 555 51 51 ARG HB2 H 1.566 0.020 1 556 51 51 ARG HB3 H 1.837 0.020 1 557 51 51 ARG HG2 H 1.102 0.020 1 558 51 51 ARG HG3 H 1.271 0.020 1 559 51 51 ARG HD2 H 3.059 0.020 1 560 51 51 ARG HD3 H 3.290 0.020 1 561 51 51 ARG C C 177.598 0.300 1 562 51 51 ARG CA C 57.840 0.300 1 563 51 51 ARG CB C 27.547 0.300 1 564 51 51 ARG CG C 28.089 0.300 1 565 51 51 ARG CD C 42.558 0.300 1 566 51 51 ARG N N 120.669 0.300 1 567 52 52 LEU H H 7.100 0.020 1 568 52 52 LEU HA H 4.211 0.020 1 569 52 52 LEU HB2 H 1.659 0.020 1 570 52 52 LEU HB3 H 1.799 0.020 1 571 52 52 LEU HG H 1.544 0.020 1 572 52 52 LEU HD1 H 0.758 0.020 2 573 52 52 LEU HD2 H 0.982 0.020 2 574 52 52 LEU C C 175.322 0.300 1 575 52 52 LEU CA C 54.573 0.300 1 576 52 52 LEU CB C 42.772 0.300 1 577 52 52 LEU CG C 25.700 0.300 1 578 52 52 LEU CD1 C 26.302 0.300 1 579 52 52 LEU CD2 C 22.700 0.300 1 580 52 52 LEU N N 118.021 0.300 1 581 53 53 LYS H H 7.474 0.020 1 582 53 53 LYS HA H 2.451 0.020 1 583 53 53 LYS HB2 H 1.583 0.020 1 584 53 53 LYS HB3 H 1.979 0.020 1 585 53 53 LYS HG2 H 1.143 0.020 1 586 53 53 LYS HG3 H 1.168 0.020 1 587 53 53 LYS HD2 H 1.653 0.020 2 588 53 53 LYS HD3 H 1.653 0.020 2 589 53 53 LYS HE2 H 3.025 0.020 2 590 53 53 LYS HE3 H 3.025 0.020 2 591 53 53 LYS C C 175.295 0.300 1 592 53 53 LYS CA C 56.664 0.300 1 593 53 53 LYS CB C 28.041 0.300 1 594 53 53 LYS CG C 24.970 0.300 1 595 53 53 LYS CD C 29.284 0.300 1 596 53 53 LYS CE C 42.551 0.300 1 597 53 53 LYS N N 112.408 0.300 1 598 54 54 LYS H H 7.809 0.020 1 599 54 54 LYS HA H 4.495 0.020 1 600 54 54 LYS HB2 H 1.694 0.020 2 601 54 54 LYS HB3 H 1.694 0.020 2 602 54 54 LYS HG2 H 1.265 0.020 1 603 54 54 LYS HG3 H 1.400 0.020 1 604 54 54 LYS HD2 H 1.673 0.020 2 605 54 54 LYS HD3 H 1.673 0.020 2 606 54 54 LYS HE2 H 2.956 0.020 2 607 54 54 LYS HE3 H 2.956 0.020 2 608 54 54 LYS C C 177.415 0.300 1 609 54 54 LYS CA C 53.636 0.300 1 610 54 54 LYS CB C 29.768 0.300 1 611 54 54 LYS CG C 24.576 0.300 1 612 54 54 LYS CD C 29.527 0.300 1 613 54 54 LYS CE C 42.377 0.300 1 614 54 54 LYS N N 120.966 0.300 1 615 55 55 PHE H H 6.646 0.020 1 616 55 55 PHE HA H 4.060 0.020 1 617 55 55 PHE HB2 H 2.816 0.020 1 618 55 55 PHE HB3 H 3.352 0.020 1 619 55 55 PHE HD1 H 7.005 0.020 1 620 55 55 PHE HD2 H 7.005 0.020 1 621 55 55 PHE HE1 H 6.693 0.020 1 622 55 55 PHE HE2 H 6.693 0.020 1 623 55 55 PHE HZ H 7.079 0.020 1 624 55 55 PHE C C 177.327 0.300 1 625 55 55 PHE CA C 61.378 0.300 1 626 55 55 PHE CB C 38.741 0.300 1 627 55 55 PHE CD1 C 130.793 0.300 1 628 55 55 PHE CE1 C 132.530 0.300 1 629 55 55 PHE CZ C 130.102 0.300 1 630 55 55 PHE N N 118.103 0.300 1 631 56 56 ALA H H 8.963 0.020 1 632 56 56 ALA HA H 4.276 0.020 1 633 56 56 ALA HB H 1.513 0.020 1 634 56 56 ALA C C 180.694 0.300 1 635 56 56 ALA CA C 55.249 0.300 1 636 56 56 ALA CB C 17.667 0.300 1 637 56 56 ALA N N 121.294 0.300 1 638 57 57 VAL H H 7.288 0.020 1 639 57 57 VAL HA H 3.680 0.020 1 640 57 57 VAL HB H 1.375 0.020 1 641 57 57 VAL HG1 H 0.049 0.020 2 642 57 57 VAL HG2 H 0.615 0.020 2 643 57 57 VAL C C 178.095 0.300 1 644 57 57 VAL CA C 65.133 0.300 1 645 57 57 VAL CB C 31.359 0.300 1 646 57 57 VAL CG1 C 20.938 0.300 1 647 57 57 VAL CG2 C 21.353 0.300 1 648 57 57 VAL N N 119.210 0.300 1 649 58 58 ALA H H 7.797 0.020 1 650 58 58 ALA HA H 4.215 0.020 1 651 58 58 ALA HB H 1.734 0.020 1 652 58 58 ALA C C 179.380 0.300 1 653 58 58 ALA CA C 55.702 0.300 1 654 58 58 ALA CB C 18.217 0.300 1 655 58 58 ALA N N 121.119 0.300 1 656 59 59 GLU H H 8.443 0.020 1 657 59 59 GLU HA H 3.652 0.020 1 658 59 59 GLU HB2 H 1.913 0.020 1 659 59 59 GLU HB3 H 2.353 0.020 1 660 59 59 GLU HG2 H 2.014 0.020 1 661 59 59 GLU HG3 H 2.161 0.020 1 662 59 59 GLU C C 177.258 0.300 1 663 59 59 GLU CA C 60.718 0.300 1 664 59 59 GLU CB C 29.461 0.300 1 665 59 59 GLU CG C 36.035 0.300 1 666 59 59 GLU N N 118.197 0.300 1 667 60 60 SER H H 7.753 0.020 1 668 60 60 SER HA H 4.211 0.020 1 669 60 60 SER HB2 H 4.000 0.020 1 670 60 60 SER HB3 H 4.039 0.020 1 671 60 60 SER C C 177.776 0.300 1 672 60 60 SER CA C 61.994 0.300 1 673 60 60 SER CB C 62.494 0.300 1 674 60 60 SER N N 113.750 0.300 1 675 61 61 ASP H H 8.313 0.020 1 676 61 61 ASP HA H 4.635 0.020 1 677 61 61 ASP HB2 H 2.766 0.020 1 678 61 61 ASP HB3 H 3.136 0.020 1 679 61 61 ASP C C 179.624 0.300 1 680 61 61 ASP CA C 57.839 0.300 1 681 61 61 ASP CB C 40.181 0.300 1 682 61 61 ASP N N 125.111 0.300 1 683 62 62 CYS H H 7.887 0.020 1 684 62 62 CYS HA H 4.072 0.020 1 685 62 62 CYS HB2 H 2.598 0.020 1 686 62 62 CYS HB3 H 3.019 0.020 1 687 62 62 CYS C C 176.544 0.300 1 688 62 62 CYS CA C 64.437 0.300 1 689 62 62 CYS CB C 27.324 0.300 1 690 62 62 CYS N N 117.517 0.300 1 691 63 63 ASN H H 8.327 0.020 1 692 63 63 ASN HA H 4.229 0.020 1 693 63 63 ASN HB2 H 2.709 0.020 1 694 63 63 ASN HB3 H 3.290 0.020 1 695 63 63 ASN HD21 H 6.770 0.020 1 696 63 63 ASN HD22 H 7.546 0.020 1 697 63 63 ASN C C 178.488 0.300 1 698 63 63 ASN CA C 55.776 0.300 1 699 63 63 ASN CB C 36.822 0.300 1 700 63 63 ASN N N 119.308 0.300 1 701 63 63 ASN ND2 N 109.463 0.300 1 702 64 64 LEU H H 7.429 0.020 1 703 64 64 LEU HA H 4.115 0.020 1 704 64 64 LEU HB2 H 1.892 0.020 2 705 64 64 LEU HB3 H 1.892 0.020 2 706 64 64 LEU HG H 1.772 0.020 1 707 64 64 LEU HD1 H 0.902 0.020 2 708 64 64 LEU HD2 H 0.997 0.020 2 709 64 64 LEU C C 178.095 0.300 1 710 64 64 LEU CA C 57.911 0.300 1 711 64 64 LEU CB C 41.093 0.300 1 712 64 64 LEU CG C 27.029 0.300 1 713 64 64 LEU CD1 C 23.781 0.300 1 714 64 64 LEU CD2 C 24.781 0.300 1 715 64 64 LEU N N 121.509 0.300 1 716 65 65 ALA H H 7.613 0.020 1 717 65 65 ALA HA H 3.765 0.020 1 718 65 65 ALA HB H 1.483 0.020 1 719 65 65 ALA C C 178.803 0.300 1 720 65 65 ALA CA C 56.256 0.300 1 721 65 65 ALA CB C 20.590 0.300 1 722 65 65 ALA N N 120.683 0.300 1 723 66 66 VAL H H 8.134 0.020 1 724 66 66 VAL HA H 3.695 0.020 1 725 66 66 VAL HB H 1.895 0.020 1 726 66 66 VAL HG1 H 0.417 0.020 2 727 66 66 VAL HG2 H 0.606 0.020 2 728 66 66 VAL C C 177.542 0.300 1 729 66 66 VAL CA C 64.542 0.300 1 730 66 66 VAL CB C 31.674 0.300 1 731 66 66 VAL CG1 C 21.364 0.300 1 732 66 66 VAL CG2 C 21.919 0.300 1 733 66 66 VAL N N 113.315 0.300 1 734 67 67 ALA H H 7.309 0.020 1 735 67 67 ALA HA H 4.106 0.020 1 736 67 67 ALA HB H 1.492 0.020 1 737 67 67 ALA C C 180.649 0.300 1 738 67 67 ALA CA C 54.181 0.300 1 739 67 67 ALA CB C 18.012 0.300 1 740 67 67 ALA N N 120.041 0.300 1 741 68 68 LEU H H 7.652 0.020 1 742 68 68 LEU HA H 4.205 0.020 1 743 68 68 LEU HB2 H 1.277 0.020 1 744 68 68 LEU HB3 H 2.030 0.020 1 745 68 68 LEU HG H 1.977 0.020 1 746 68 68 LEU HD1 H 0.585 0.020 2 747 68 68 LEU HD2 H 1.009 0.020 2 748 68 68 LEU C C 178.568 0.300 1 749 68 68 LEU CA C 56.592 0.300 1 750 68 68 LEU CB C 42.868 0.300 1 751 68 68 LEU CG C 25.916 0.300 1 752 68 68 LEU CD1 C 25.285 0.300 1 753 68 68 LEU CD2 C 22.509 0.300 1 754 68 68 LEU N N 118.064 0.300 1 755 69 69 ASN H H 7.977 0.020 1 756 69 69 ASN HA H 4.678 0.020 1 757 69 69 ASN HB2 H 2.786 0.020 2 758 69 69 ASN HB3 H 2.786 0.020 2 759 69 69 ASN HD21 H 7.152 0.020 1 760 69 69 ASN HD22 H 7.479 0.020 1 761 69 69 ASN C C 174.237 0.300 1 762 69 69 ASN CA C 53.317 0.300 1 763 69 69 ASN CB C 39.125 0.300 1 764 69 69 ASN N N 115.947 0.300 1 765 69 69 ASN ND2 N 111.158 0.300 1 766 70 70 ARG H H 8.733 0.020 1 767 70 70 ARG HA H 4.603 0.020 1 768 70 70 ARG HB2 H 2.055 0.020 2 769 70 70 ARG HB3 H 2.055 0.020 2 770 70 70 ARG HG2 H 1.761 0.020 1 771 70 70 ARG HG3 H 1.892 0.020 1 772 70 70 ARG HD2 H 3.291 0.020 2 773 70 70 ARG HD3 H 3.291 0.020 2 774 70 70 ARG C C 178.580 0.300 1 775 70 70 ARG CA C 57.575 0.300 1 776 70 70 ARG CB C 29.960 0.300 1 777 70 70 ARG CG C 27.072 0.300 1 778 70 70 ARG CD C 43.468 0.300 1 779 70 70 ARG N N 123.307 0.300 1 780 71 71 SER H H 8.785 0.020 1 781 71 71 SER HA H 4.869 0.020 1 782 71 71 SER HB2 H 4.022 0.020 1 783 71 71 SER HB3 H 4.168 0.020 1 784 71 71 SER C C 172.830 0.300 1 785 71 71 SER CA C 57.479 0.300 1 786 71 71 SER CB C 63.148 0.300 1 787 71 71 SER N N 117.214 0.300 1 788 72 72 TYR H H 7.532 0.020 1 789 72 72 TYR HA H 4.769 0.020 1 790 72 72 TYR HB2 H 2.789 0.020 1 791 72 72 TYR HB3 H 3.200 0.020 1 792 72 72 TYR C C 174.271 0.300 1 793 72 72 TYR CA C 57.505 0.300 1 794 72 72 TYR CB C 36.630 0.300 1 795 72 72 TYR N N 122.787 0.300 1 796 73 73 THR H H 8.125 0.020 1 797 73 73 THR HA H 3.629 0.020 1 798 73 73 THR HB H 3.922 0.020 1 799 73 73 THR HG2 H 1.245 0.020 1 800 73 73 THR C C 176.065 0.300 1 801 73 73 THR CA C 67.010 0.300 1 802 73 73 THR CB C 68.577 0.300 1 803 73 73 THR CG2 C 24.865 0.300 1 804 73 73 THR N N 124.992 0.300 1 805 74 74 LYS H H 7.559 0.020 1 806 74 74 LYS HA H 3.863 0.020 1 807 74 74 LYS HB2 H 1.279 0.020 1 808 74 74 LYS HB3 H 1.489 0.020 1 809 74 74 LYS HG2 H 1.400 0.020 1 810 74 74 LYS HG3 H 1.542 0.020 1 811 74 74 LYS HD2 H 1.689 0.020 2 812 74 74 LYS HD3 H 1.689 0.020 2 813 74 74 LYS HE2 H 2.961 0.020 2 814 74 74 LYS HE3 H 2.961 0.020 2 815 74 74 LYS C C 178.199 0.300 1 816 74 74 LYS CA C 59.087 0.300 1 817 74 74 LYS CB C 32.359 0.300 1 818 74 74 LYS CG C 25.795 0.300 1 819 74 74 LYS CD C 29.139 0.300 1 820 74 74 LYS CE C 42.036 0.300 1 821 74 74 LYS N N 116.565 0.300 1 822 75 75 ALA H H 7.304 0.020 1 823 75 75 ALA HA H 4.078 0.020 1 824 75 75 ALA HB H 1.456 0.020 1 825 75 75 ALA C C 179.399 0.300 1 826 75 75 ALA CA C 55.126 0.300 1 827 75 75 ALA CB C 19.265 0.300 1 828 75 75 ALA N N 118.831 0.300 1 829 76 76 TYR H H 7.023 0.020 1 830 76 76 TYR HA H 3.835 0.020 1 831 76 76 TYR HB2 H 2.801 0.020 1 832 76 76 TYR HB3 H 2.984 0.020 1 833 76 76 TYR C C 178.148 0.300 1 834 76 76 TYR CA C 62.452 0.300 1 835 76 76 TYR CB C 38.357 0.300 1 836 76 76 TYR N N 116.073 0.300 1 837 77 77 SER H H 7.784 0.020 1 838 77 77 SER HA H 3.765 0.020 1 839 77 77 SER HB2 H 3.922 0.020 2 840 77 77 SER HB3 H 3.922 0.020 2 841 77 77 SER C C 176.258 0.300 1 842 77 77 SER CA C 61.775 0.300 1 843 77 77 SER CB C 62.254 0.300 1 844 77 77 SER N N 114.439 0.300 1 845 78 78 ARG H H 7.714 0.020 1 846 78 78 ARG HA H 3.877 0.020 1 847 78 78 ARG HB2 H 1.855 0.020 1 848 78 78 ARG HB3 H 1.966 0.020 1 849 78 78 ARG HG2 H 1.429 0.020 1 850 78 78 ARG HG3 H 1.695 0.020 1 851 78 78 ARG HD2 H 2.815 0.020 1 852 78 78 ARG HD3 H 3.125 0.020 1 853 78 78 ARG C C 177.317 0.300 1 854 78 78 ARG CA C 56.615 0.300 1 855 78 78 ARG CB C 27.236 0.300 1 856 78 78 ARG CG C 26.729 0.300 1 857 78 78 ARG CD C 40.827 0.300 1 858 78 78 ARG N N 119.592 0.300 1 859 79 79 ARG H H 8.399 0.020 1 860 79 79 ARG HA H 3.721 0.020 1 861 79 79 ARG HB2 H 1.642 0.020 1 862 79 79 ARG HB3 H 2.152 0.020 1 863 79 79 ARG HG2 H 1.445 0.020 2 864 79 79 ARG HG3 H 1.445 0.020 2 865 79 79 ARG HD2 H 2.585 0.020 2 866 79 79 ARG HD3 H 2.585 0.020 2 867 79 79 ARG C C 179.057 0.300 1 868 79 79 ARG CA C 61.368 0.300 1 869 79 79 ARG CB C 30.019 0.300 1 870 79 79 ARG CG C 28.754 0.300 1 871 79 79 ARG CD C 43.959 0.300 1 872 79 79 ARG N N 124.153 0.300 1 873 80 80 GLY H H 8.735 0.020 1 874 80 80 GLY HA2 H 2.943 0.020 1 875 80 80 GLY HA3 H 3.568 0.020 1 876 80 80 GLY C C 175.655 0.300 1 877 80 80 GLY CA C 48.099 0.300 1 878 80 80 GLY N N 109.322 0.300 1 879 81 81 ALA H H 7.721 0.020 1 880 81 81 ALA HA H 4.425 0.020 1 881 81 81 ALA HB H 1.356 0.020 1 882 81 81 ALA C C 181.838 0.300 1 883 81 81 ALA CA C 55.296 0.300 1 884 81 81 ALA CB C 18.415 0.300 1 885 81 81 ALA N N 124.760 0.300 1 886 82 82 ALA H H 8.505 0.020 1 887 82 82 ALA HA H 4.226 0.020 1 888 82 82 ALA HB H 1.783 0.020 1 889 82 82 ALA C C 178.470 0.300 1 890 82 82 ALA CA C 56.064 0.300 1 891 82 82 ALA CB C 17.721 0.300 1 892 82 82 ALA N N 123.334 0.300 1 893 83 83 ARG H H 9.124 0.020 1 894 83 83 ARG HA H 3.827 0.020 1 895 83 83 ARG HB2 H 1.578 0.020 2 896 83 83 ARG HB3 H 1.578 0.020 2 897 83 83 ARG HG2 H 1.904 0.020 2 898 83 83 ARG HG3 H 1.904 0.020 2 899 83 83 ARG C C 178.324 0.300 1 900 83 83 ARG CA C 60.574 0.300 1 901 83 83 ARG CB C 29.555 0.300 1 902 83 83 ARG CD C 43.430 0.300 1 903 83 83 ARG N N 115.976 0.300 1 904 84 84 PHE H H 9.072 0.020 1 905 84 84 PHE HA H 4.175 0.020 1 906 84 84 PHE HB2 H 3.319 0.020 1 907 84 84 PHE HB3 H 3.574 0.020 1 908 84 84 PHE HD1 H 7.385 0.020 1 909 84 84 PHE HD2 H 7.385 0.020 1 910 84 84 PHE HE1 H 7.223 0.020 1 911 84 84 PHE HE2 H 7.223 0.020 1 912 84 84 PHE HZ H 7.092 0.020 1 913 84 84 PHE C C 179.458 0.300 1 914 84 84 PHE CA C 59.329 0.300 1 915 84 84 PHE CB C 38.284 0.300 1 916 84 84 PHE CD1 C 131.129 0.300 1 917 84 84 PHE CE1 C 131.121 0.300 1 918 84 84 PHE CZ C 129.214 0.300 1 919 84 84 PHE N N 122.541 0.300 1 920 85 85 ALA H H 7.773 0.020 1 921 85 85 ALA HA H 3.699 0.020 1 922 85 85 ALA HB H 0.392 0.020 1 923 85 85 ALA C C 179.139 0.300 1 924 85 85 ALA CA C 54.828 0.300 1 925 85 85 ALA CB C 15.760 0.300 1 926 85 85 ALA N N 123.340 0.300 1 927 86 86 LEU H H 7.354 0.020 1 928 86 86 LEU HA H 4.240 0.020 1 929 86 86 LEU HB2 H 1.780 0.020 2 930 86 86 LEU HB3 H 1.780 0.020 2 931 86 86 LEU HG H 1.719 0.020 1 932 86 86 LEU HD1 H 1.073 0.020 2 933 86 86 LEU HD2 H 0.757 0.020 2 934 86 86 LEU C C 175.645 0.300 1 935 86 86 LEU CA C 54.792 0.300 1 936 86 86 LEU CB C 43.300 0.300 1 937 86 86 LEU CG C 26.120 0.300 1 938 86 86 LEU CD1 C 22.873 0.300 1 939 86 86 LEU CD2 C 25.490 0.300 1 940 86 86 LEU N N 116.988 0.300 1 941 87 87 GLN H H 8.043 0.020 1 942 87 87 GLN HA H 3.582 0.020 1 943 87 87 GLN HB2 H 2.428 0.020 2 944 87 87 GLN HB3 H 2.428 0.020 2 945 87 87 GLN HG2 H 2.236 0.020 1 946 87 87 GLN HG3 H 2.304 0.020 1 947 87 87 GLN HE21 H 6.666 0.020 1 948 87 87 GLN HE22 H 7.384 0.020 1 949 87 87 GLN C C 175.440 0.300 1 950 87 87 GLN CA C 57.607 0.300 1 951 87 87 GLN CB C 25.642 0.300 1 952 87 87 GLN CG C 34.359 0.300 1 953 87 87 GLN N N 113.309 0.300 1 954 87 87 GLN NE2 N 112.230 0.300 1 955 88 88 LYS H H 8.474 0.020 1 956 88 88 LYS HA H 4.659 0.020 1 957 88 88 LYS HB2 H 1.647 0.020 1 958 88 88 LYS HB3 H 1.696 0.020 1 959 88 88 LYS HG2 H 1.371 0.020 1 960 88 88 LYS HG3 H 1.425 0.020 1 961 88 88 LYS HD2 H 1.873 0.020 2 962 88 88 LYS HD3 H 1.873 0.020 2 963 88 88 LYS HE2 H 2.724 0.020 2 964 88 88 LYS HE3 H 2.724 0.020 2 965 88 88 LYS C C 177.141 0.300 1 966 88 88 LYS CA C 54.817 0.300 1 967 88 88 LYS CB C 30.174 0.300 1 968 88 88 LYS CG C 24.524 0.300 1 969 88 88 LYS CD C 30.696 0.300 1 970 88 88 LYS CE C 41.948 0.300 1 971 88 88 LYS N N 122.833 0.300 1 972 89 89 LEU H H 7.379 0.020 1 973 89 89 LEU HA H 3.735 0.020 1 974 89 89 LEU HB2 H 1.273 0.020 1 975 89 89 LEU HB3 H 1.955 0.020 1 976 89 89 LEU HG H 1.691 0.020 1 977 89 89 LEU HD1 H 0.948 0.020 2 978 89 89 LEU HD2 H 0.954 0.020 2 979 89 89 LEU C C 178.578 0.300 1 980 89 89 LEU CA C 59.387 0.300 1 981 89 89 LEU CB C 41.908 0.300 1 982 89 89 LEU CG C 27.997 0.300 1 983 89 89 LEU CD1 C 23.698 0.300 1 984 89 89 LEU CD2 C 25.389 0.300 1 985 89 89 LEU N N 118.256 0.300 1 986 90 90 GLU H H 8.886 0.020 1 987 90 90 GLU HA H 3.901 0.020 1 988 90 90 GLU HB2 H 1.972 0.020 1 989 90 90 GLU HB3 H 2.009 0.020 1 990 90 90 GLU HG2 H 2.318 0.020 2 991 90 90 GLU HG3 H 2.318 0.020 2 992 90 90 GLU C C 179.747 0.300 1 993 90 90 GLU CA C 60.246 0.300 1 994 90 90 GLU CB C 28.812 0.300 1 995 90 90 GLU CG C 36.716 0.300 1 996 90 90 GLU N N 118.572 0.300 1 997 91 91 GLU H H 8.747 0.020 1 998 91 91 GLU HA H 4.008 0.020 1 999 91 91 GLU HB2 H 1.829 0.020 1 1000 91 91 GLU HB3 H 2.086 0.020 1 1001 91 91 GLU HG2 H 2.315 0.020 2 1002 91 91 GLU HG3 H 2.315 0.020 2 1003 91 91 GLU C C 178.702 0.300 1 1004 91 91 GLU CA C 59.975 0.300 1 1005 91 91 GLU CB C 29.048 0.300 1 1006 91 91 GLU CG C 37.190 0.300 1 1007 91 91 GLU N N 119.572 0.300 1 1008 92 92 ALA H H 8.521 0.020 1 1009 92 92 ALA HA H 4.032 0.020 1 1010 92 92 ALA HB H 1.580 0.020 1 1011 92 92 ALA C C 178.719 0.300 1 1012 92 92 ALA CA C 55.464 0.300 1 1013 92 92 ALA CB C 18.578 0.300 1 1014 92 92 ALA N N 122.532 0.300 1 1015 93 93 LYS H H 8.344 0.020 1 1016 93 93 LYS HA H 3.822 0.020 1 1017 93 93 LYS HB2 H 1.809 0.020 1 1018 93 93 LYS HB3 H 2.131 0.020 1 1019 93 93 LYS HG2 H 1.249 0.020 2 1020 93 93 LYS HG3 H 1.249 0.020 2 1021 93 93 LYS HD2 H 1.489 0.020 2 1022 93 93 LYS HD3 H 1.489 0.020 2 1023 93 93 LYS C C 177.512 0.300 1 1024 93 93 LYS CA C 59.807 0.300 1 1025 93 93 LYS CB C 32.854 0.300 1 1026 93 93 LYS CG C 24.502 0.300 1 1027 93 93 LYS CD C 30.455 0.300 1 1028 93 93 LYS N N 117.698 0.300 1 1029 94 94 LYS H H 7.374 0.020 1 1030 94 94 LYS HA H 4.136 0.020 1 1031 94 94 LYS HB2 H 1.923 0.020 2 1032 94 94 LYS HB3 H 1.923 0.020 2 1033 94 94 LYS HG2 H 1.566 0.020 1 1034 94 94 LYS HG3 H 1.647 0.020 1 1035 94 94 LYS HD2 H 1.671 0.020 2 1036 94 94 LYS HD3 H 1.671 0.020 2 1037 94 94 LYS HE2 H 2.979 0.020 2 1038 94 94 LYS HE3 H 2.979 0.020 2 1039 94 94 LYS C C 179.866 0.300 1 1040 94 94 LYS CA C 59.059 0.300 1 1041 94 94 LYS CB C 32.071 0.300 1 1042 94 94 LYS CG C 25.292 0.300 1 1043 94 94 LYS CD C 29.064 0.300 1 1044 94 94 LYS CE C 42.052 0.300 1 1045 94 94 LYS N N 116.276 0.300 1 1046 95 95 ASP H H 7.535 0.020 1 1047 95 95 ASP HA H 4.646 0.020 1 1048 95 95 ASP HB2 H 2.492 0.020 1 1049 95 95 ASP HB3 H 2.782 0.020 1 1050 95 95 ASP C C 178.773 0.300 1 1051 95 95 ASP CA C 58.234 0.300 1 1052 95 95 ASP CB C 39.606 0.300 1 1053 95 95 ASP N N 121.853 0.300 1 1054 96 96 TYR H H 8.111 0.020 1 1055 96 96 TYR HA H 4.290 0.020 1 1056 96 96 TYR HB2 H 2.655 0.020 1 1057 96 96 TYR HB3 H 2.958 0.020 1 1058 96 96 TYR HD1 H 7.385 0.020 1 1059 96 96 TYR HD2 H 7.385 0.020 1 1060 96 96 TYR HE1 H 6.610 0.020 1 1061 96 96 TYR HE2 H 6.610 0.020 1 1062 96 96 TYR C C 178.743 0.300 1 1063 96 96 TYR CA C 63.468 0.300 1 1064 96 96 TYR CB C 37.734 0.300 1 1065 96 96 TYR CD1 C 131.959 0.300 1 1066 96 96 TYR CE1 C 118.025 0.300 1 1067 96 96 TYR N N 118.122 0.300 1 1068 97 97 GLU H H 8.740 0.020 1 1069 97 97 GLU HA H 3.883 0.020 1 1070 97 97 GLU HB2 H 1.975 0.020 1 1071 97 97 GLU HB3 H 2.015 0.020 1 1072 97 97 GLU HG2 H 2.319 0.020 2 1073 97 97 GLU HG3 H 2.319 0.020 2 1074 97 97 GLU C C 179.937 0.300 1 1075 97 97 GLU CA C 60.023 0.300 1 1076 97 97 GLU CB C 28.708 0.300 1 1077 97 97 GLU CG C 36.697 0.300 1 1078 97 97 GLU N N 119.614 0.300 1 1079 98 98 ARG H H 7.879 0.020 1 1080 98 98 ARG HA H 3.926 0.020 1 1081 98 98 ARG HB2 H 1.656 0.020 1 1082 98 98 ARG HB3 H 1.786 0.020 1 1083 98 98 ARG HG2 H 0.477 0.020 1 1084 98 98 ARG HG3 H 0.728 0.020 1 1085 98 98 ARG HD2 H 2.777 0.020 1 1086 98 98 ARG HD3 H 3.137 0.020 1 1087 98 98 ARG C C 178.500 0.300 1 1088 98 98 ARG CA C 58.038 0.300 1 1089 98 98 ARG CB C 28.185 0.300 1 1090 98 98 ARG CG C 24.902 0.300 1 1091 98 98 ARG CD C 42.945 0.300 1 1092 98 98 ARG N N 122.465 0.300 1 1093 99 99 VAL H H 7.880 0.020 1 1094 99 99 VAL HA H 3.340 0.020 1 1095 99 99 VAL HB H 2.521 0.020 1 1096 99 99 VAL HG1 H 0.815 0.020 2 1097 99 99 VAL HG2 H 1.088 0.020 2 1098 99 99 VAL C C 177.063 0.300 1 1099 99 99 VAL CA C 67.549 0.300 1 1100 99 99 VAL CB C 30.535 0.300 1 1101 99 99 VAL CG1 C 21.410 0.300 1 1102 99 99 VAL CG2 C 23.868 0.300 1 1103 99 99 VAL N N 119.361 0.300 1 1104 100 100 LEU H H 7.343 0.020 1 1105 100 100 LEU HA H 4.165 0.020 1 1106 100 100 LEU HB2 H 1.424 0.020 1 1107 100 100 LEU HB3 H 1.756 0.020 1 1108 100 100 LEU HG H 0.968 0.020 1 1109 100 100 LEU HD1 H 0.790 0.020 2 1110 100 100 LEU HD2 H 0.997 0.020 2 1111 100 100 LEU C C 179.204 0.300 1 1112 100 100 LEU CA C 56.546 0.300 1 1113 100 100 LEU CB C 41.963 0.300 1 1114 100 100 LEU CG C 23.705 0.300 1 1115 100 100 LEU CD1 C 26.258 0.300 1 1116 100 100 LEU CD2 C 23.806 0.300 1 1117 100 100 LEU N N 116.283 0.300 1 1118 101 101 GLU H H 7.610 0.020 1 1119 101 101 GLU HA H 3.952 0.020 1 1120 101 101 GLU HB2 H 2.086 0.020 1 1121 101 101 GLU HB3 H 2.181 0.020 1 1122 101 101 GLU HG2 H 2.135 0.020 1 1123 101 101 GLU HG3 H 2.435 0.020 1 1124 101 101 GLU C C 178.649 0.300 1 1125 101 101 GLU CA C 58.777 0.300 1 1126 101 101 GLU CB C 29.916 0.300 1 1127 101 101 GLU CG C 36.313 0.300 1 1128 101 101 GLU N N 119.283 0.300 1 1129 102 102 LEU H H 7.462 0.020 1 1130 102 102 LEU HA H 4.163 0.020 1 1131 102 102 LEU HB2 H 1.613 0.020 1 1132 102 102 LEU HB3 H 1.915 0.020 1 1133 102 102 LEU HG H 1.632 0.020 1 1134 102 102 LEU HD1 H 0.793 0.020 2 1135 102 102 LEU HD2 H 0.966 0.020 2 1136 102 102 LEU C C 178.164 0.300 1 1137 102 102 LEU CA C 56.616 0.300 1 1138 102 102 LEU CB C 43.588 0.300 1 1139 102 102 LEU CG C 27.466 0.300 1 1140 102 102 LEU CD1 C 26.023 0.300 1 1141 102 102 LEU CD2 C 22.621 0.300 1 1142 102 102 LEU N N 119.168 0.300 1 1143 103 103 GLU H H 9.188 0.020 1 1144 103 103 GLU HA H 4.624 0.020 1 1145 103 103 GLU HB2 H 1.868 0.020 1 1146 103 103 GLU HB3 H 2.092 0.020 1 1147 103 103 GLU HG2 H 2.220 0.020 2 1148 103 103 GLU HG3 H 2.220 0.020 2 1149 103 103 GLU C C 182.830 0.300 1 1150 103 103 GLU CA C 53.926 0.300 1 1151 103 103 GLU CB C 31.462 0.300 1 1152 103 103 GLU CG C 37.069 0.300 1 1153 103 103 GLU N N 121.618 0.300 1 1154 104 104 PRO HA H 4.651 0.020 1 1155 104 104 PRO HB2 H 1.817 0.020 1 1156 104 104 PRO HB3 H 2.368 0.020 1 1157 104 104 PRO HG2 H 1.998 0.020 2 1158 104 104 PRO HG3 H 1.998 0.020 2 1159 104 104 PRO HD2 H 3.572 0.020 2 1160 104 104 PRO HD3 H 3.572 0.020 2 1161 104 104 PRO C C 177.378 0.300 1 1162 104 104 PRO CA C 64.510 0.300 1 1163 104 104 PRO CB C 32.279 0.300 1 1164 104 104 PRO CG C 27.156 0.300 1 1165 104 104 PRO CD C 49.809 0.300 1 1166 105 105 ASN H H 8.448 0.020 1 1167 105 105 ASN HA H 4.611 0.020 1 1168 105 105 ASN HB2 H 2.857 0.020 1 1169 105 105 ASN HB3 H 2.930 0.020 1 1170 105 105 ASN HD21 H 7.568 0.020 1 1171 105 105 ASN HD22 H 6.948 0.020 1 1172 105 105 ASN C C 174.736 0.300 1 1173 105 105 ASN CA C 52.658 0.300 1 1174 105 105 ASN CB C 37.859 0.300 1 1175 105 105 ASN N N 113.675 0.300 1 1176 105 105 ASN ND2 N 113.206 0.300 1 1177 106 106 ASN H H 7.663 0.020 1 1178 106 106 ASN HA H 4.469 0.020 1 1179 106 106 ASN HB2 H 2.789 0.020 1 1180 106 106 ASN HB3 H 2.967 0.020 1 1181 106 106 ASN HD21 H 6.930 0.020 1 1182 106 106 ASN HD22 H 7.939 0.020 1 1183 106 106 ASN C C 174.906 0.300 1 1184 106 106 ASN CA C 55.415 0.300 1 1185 106 106 ASN CB C 39.317 0.300 1 1186 106 106 ASN N N 119.799 0.300 1 1187 106 106 ASN ND2 N 114.287 0.300 1 1188 107 107 PHE H H 8.538 0.020 1 1189 107 107 PHE HA H 4.250 0.020 1 1190 107 107 PHE HB2 H 3.058 0.020 1 1191 107 107 PHE HB3 H 3.285 0.020 1 1192 107 107 PHE HD1 H 7.299 0.020 1 1193 107 107 PHE HD2 H 7.299 0.020 1 1194 107 107 PHE HE1 H 7.301 0.020 1 1195 107 107 PHE HE2 H 7.301 0.020 1 1196 107 107 PHE C C 177.131 0.300 1 1197 107 107 PHE CA C 60.947 0.300 1 1198 107 107 PHE CB C 39.292 0.300 1 1199 107 107 PHE CD1 C 131.699 0.300 1 1200 107 107 PHE CE1 C 132.740 0.300 1 1201 107 107 PHE N N 131.624 0.300 1 1202 108 108 GLU H H 8.401 0.020 1 1203 108 108 GLU HA H 3.973 0.020 1 1204 108 108 GLU HB2 H 2.120 0.020 2 1205 108 108 GLU HB3 H 2.120 0.020 2 1206 108 108 GLU HG2 H 2.127 0.020 2 1207 108 108 GLU HG3 H 2.127 0.020 2 1208 108 108 GLU C C 178.210 0.300 1 1209 108 108 GLU CA C 59.694 0.300 1 1210 108 108 GLU CB C 29.528 0.300 1 1211 108 108 GLU CG C 36.832 0.300 1 1212 108 108 GLU N N 121.425 0.300 1 1213 109 109 ALA H H 8.760 0.020 1 1214 109 109 ALA HA H 3.777 0.020 1 1215 109 109 ALA HB H 1.555 0.020 1 1216 109 109 ALA C C 179.028 0.300 1 1217 109 109 ALA CA C 55.213 0.300 1 1218 109 109 ALA CB C 18.479 0.300 1 1219 109 109 ALA N N 120.470 0.300 1 1220 110 110 THR H H 7.560 0.020 1 1221 110 110 THR HA H 3.695 0.020 1 1222 110 110 THR HB H 4.176 0.020 1 1223 110 110 THR HG2 H 1.184 0.020 1 1224 110 110 THR C C 176.651 0.300 1 1225 110 110 THR CA C 67.121 0.300 1 1226 110 110 THR CB C 68.674 0.300 1 1227 110 110 THR CG2 C 21.547 0.300 1 1228 110 110 THR N N 112.979 0.300 1 1229 111 111 ASN H H 7.862 0.020 1 1230 111 111 ASN HA H 4.281 0.020 1 1231 111 111 ASN HB2 H 2.542 0.020 1 1232 111 111 ASN HB3 H 2.652 0.020 1 1233 111 111 ASN HD21 H 6.302 0.020 1 1234 111 111 ASN HD22 H 7.531 0.020 1 1235 111 111 ASN C C 178.206 0.300 1 1236 111 111 ASN CA C 56.255 0.300 1 1237 111 111 ASN CB C 38.576 0.300 1 1238 111 111 ASN N N 120.559 0.300 1 1239 111 111 ASN ND2 N 113.775 0.300 1 1240 112 112 GLU H H 8.561 0.020 1 1241 112 112 GLU HA H 3.829 0.020 1 1242 112 112 GLU HB2 H 0.609 0.020 1 1243 112 112 GLU HB3 H 1.321 0.020 1 1244 112 112 GLU HG2 H 1.985 0.020 1 1245 112 112 GLU HG3 H 2.275 0.020 1 1246 112 112 GLU C C 179.057 0.300 1 1247 112 112 GLU CA C 58.533 0.300 1 1248 112 112 GLU CB C 28.107 0.300 1 1249 112 112 GLU CG C 36.029 0.300 1 1250 112 112 GLU N N 119.830 0.300 1 1251 113 113 LEU H H 8.210 0.020 1 1252 113 113 LEU HA H 3.809 0.020 1 1253 113 113 LEU HB2 H 1.539 0.020 1 1254 113 113 LEU HB3 H 1.735 0.020 1 1255 113 113 LEU HG H 1.539 0.020 1 1256 113 113 LEU HD1 H 0.817 0.020 2 1257 113 113 LEU HD2 H 1.015 0.020 2 1258 113 113 LEU C C 179.722 0.300 1 1259 113 113 LEU CA C 58.319 0.300 1 1260 113 113 LEU CB C 41.333 0.300 1 1261 113 113 LEU CG C 27.535 0.300 1 1262 113 113 LEU CD1 C 25.629 0.300 1 1263 113 113 LEU CD2 C 25.654 0.300 1 1264 113 113 LEU N N 119.096 0.300 1 1265 114 114 ARG H H 7.364 0.020 1 1266 114 114 ARG HA H 4.044 0.020 1 1267 114 114 ARG HB2 H 1.942 0.020 2 1268 114 114 ARG HB3 H 1.942 0.020 2 1269 114 114 ARG HG2 H 1.551 0.020 1 1270 114 114 ARG HG3 H 1.777 0.020 1 1271 114 114 ARG HD2 H 3.209 0.020 2 1272 114 114 ARG HD3 H 3.209 0.020 2 1273 114 114 ARG C C 178.915 0.300 1 1274 114 114 ARG CA C 59.754 0.300 1 1275 114 114 ARG CB C 29.452 0.300 1 1276 114 114 ARG CG C 27.466 0.300 1 1277 114 114 ARG CD C 43.392 0.300 1 1278 114 114 ARG N N 120.327 0.300 1 1279 115 115 LYS H H 7.320 0.020 1 1280 115 115 LYS HA H 4.033 0.020 1 1281 115 115 LYS HB2 H 1.982 0.020 2 1282 115 115 LYS HB3 H 1.982 0.020 2 1283 115 115 LYS HG2 H 1.389 0.020 2 1284 115 115 LYS HG3 H 1.389 0.020 2 1285 115 115 LYS HD2 H 1.628 0.020 1 1286 115 115 LYS HD3 H 1.681 0.020 1 1287 115 115 LYS HE2 H 2.677 0.020 2 1288 115 115 LYS HE3 H 2.677 0.020 2 1289 115 115 LYS C C 180.290 0.300 1 1290 115 115 LYS CA C 59.714 0.300 1 1291 115 115 LYS CB C 32.493 0.300 1 1292 115 115 LYS CG C 24.992 0.300 1 1293 115 115 LYS CD C 29.700 0.300 1 1294 115 115 LYS CE C 42.077 0.300 1 1295 115 115 LYS N N 119.986 0.300 1 1296 116 116 ILE H H 8.618 0.020 1 1297 116 116 ILE HA H 3.322 0.020 1 1298 116 116 ILE HB H 1.576 0.020 1 1299 116 116 ILE HG12 H -0.029 0.020 1 1300 116 116 ILE HG13 H 1.196 0.020 1 1301 116 116 ILE HG2 H 0.805 0.020 1 1302 116 116 ILE HD1 H 0.619 0.020 1 1303 116 116 ILE C C 177.494 0.300 1 1304 116 116 ILE CA C 65.748 0.300 1 1305 116 116 ILE CB C 38.420 0.300 1 1306 116 116 ILE CG1 C 29.470 0.300 1 1307 116 116 ILE CG2 C 18.267 0.300 1 1308 116 116 ILE CD1 C 15.215 0.300 1 1309 116 116 ILE N N 122.492 0.300 1 1310 117 117 SER H H 8.508 0.020 1 1311 117 117 SER HA H 4.113 0.020 1 1312 117 117 SER HB2 H 4.031 0.020 2 1313 117 117 SER HB3 H 4.031 0.020 2 1314 117 117 SER C C 177.332 0.300 1 1315 117 117 SER CA C 62.579 0.300 1 1316 117 117 SER CB C 62.738 0.300 1 1317 117 117 SER N N 115.616 0.300 1 1318 118 118 GLN H H 7.819 0.020 1 1319 118 118 GLN HA H 4.131 0.020 1 1320 118 118 GLN HB2 H 2.152 0.020 1 1321 118 118 GLN HB3 H 2.224 0.020 1 1322 118 118 GLN HG2 H 2.406 0.020 1 1323 118 118 GLN HG3 H 2.542 0.020 1 1324 118 118 GLN HE21 H 6.809 0.020 1 1325 118 118 GLN HE22 H 7.417 0.020 1 1326 118 118 GLN C C 178.285 0.300 1 1327 118 118 GLN CA C 58.799 0.300 1 1328 118 118 GLN CB C 28.346 0.300 1 1329 118 118 GLN CG C 34.114 0.300 1 1330 118 118 GLN N N 121.099 0.300 1 1331 118 118 GLN NE2 N 111.377 0.300 1 1332 119 119 ALA H H 7.946 0.020 1 1333 119 119 ALA HA H 4.261 0.020 1 1334 119 119 ALA HB H 1.670 0.020 1 1335 119 119 ALA C C 180.775 0.300 1 1336 119 119 ALA CA C 54.881 0.300 1 1337 119 119 ALA CB C 18.492 0.300 1 1338 119 119 ALA N N 123.658 0.300 1 1339 120 120 LEU H H 8.494 0.020 1 1340 120 120 LEU HA H 4.047 0.020 1 1341 120 120 LEU HB2 H 1.556 0.020 1 1342 120 120 LEU HB3 H 1.865 0.020 1 1343 120 120 LEU HD1 H 0.797 0.020 2 1344 120 120 LEU HD2 H 0.893 0.020 2 1345 120 120 LEU C C 178.696 0.300 1 1346 120 120 LEU CA C 57.250 0.300 1 1347 120 120 LEU CB C 42.436 0.300 1 1348 120 120 LEU CG C 27.002 0.300 1 1349 120 120 LEU CD1 C 25.860 0.300 1 1350 120 120 LEU CD2 C 24.430 0.300 1 1351 120 120 LEU N N 119.511 0.300 1 1352 121 121 ALA H H 7.742 0.020 1 1353 121 121 ALA HA H 4.269 0.020 1 1354 121 121 ALA HB H 1.504 0.020 1 1355 121 121 ALA C C 179.065 0.300 1 1356 121 121 ALA CA C 53.925 0.300 1 1357 121 121 ALA CB C 18.438 0.300 1 1358 121 121 ALA N N 121.540 0.300 1 1359 122 122 SER H H 7.805 0.020 1 1360 122 122 SER HA H 4.409 0.020 1 1361 122 122 SER HB2 H 4.008 0.020 2 1362 122 122 SER HB3 H 4.008 0.020 2 1363 122 122 SER C C 175.195 0.300 1 1364 122 122 SER CA C 59.558 0.300 1 1365 122 122 SER CB C 63.564 0.300 1 1366 122 122 SER N N 113.006 0.300 1 1367 123 123 LYS H H 7.827 0.020 1 1368 123 123 LYS HA H 4.306 0.020 1 1369 123 123 LYS HB2 H 1.886 0.020 1 1370 123 123 LYS HB3 H 1.957 0.020 1 1371 123 123 LYS HG2 H 1.514 0.020 1 1372 123 123 LYS HG3 H 1.541 0.020 1 1373 123 123 LYS HD2 H 1.723 0.020 2 1374 123 123 LYS HD3 H 1.723 0.020 2 1375 123 123 LYS HE2 H 3.048 0.020 2 1376 123 123 LYS HE3 H 3.048 0.020 2 1377 123 123 LYS C C 177.078 0.300 1 1378 123 123 LYS CA C 57.039 0.300 1 1379 123 123 LYS CB C 32.743 0.300 1 1380 123 123 LYS CG C 24.683 0.300 1 1381 123 123 LYS CD C 29.252 0.300 1 1382 123 123 LYS CE C 42.197 0.300 1 1383 123 123 LYS N N 122.021 0.300 1 1384 124 124 GLU H H 8.147 0.020 1 1385 124 124 GLU HA H 4.248 0.020 1 1386 124 124 GLU HB2 H 1.986 0.020 1 1387 124 124 GLU HB3 H 2.081 0.020 1 1388 124 124 GLU HG2 H 2.283 0.020 1 1389 124 124 GLU HG3 H 2.332 0.020 1 1390 124 124 GLU C C 176.396 0.300 1 1391 124 124 GLU CA C 56.969 0.300 1 1392 124 124 GLU CB C 30.104 0.300 1 1393 124 124 GLU CG C 36.214 0.300 1 1394 124 124 GLU N N 120.249 0.300 1 1395 125 125 ASN H H 8.248 0.020 1 1396 125 125 ASN HA H 4.743 0.020 1 1397 125 125 ASN HB2 H 2.730 0.020 1 1398 125 125 ASN HB3 H 2.783 0.020 1 1399 125 125 ASN HD21 H 6.903 0.020 1 1400 125 125 ASN HD22 H 7.560 0.020 1 1401 125 125 ASN C C 174.951 0.300 1 1402 125 125 ASN CA C 53.320 0.300 1 1403 125 125 ASN CB C 39.157 0.300 1 1404 125 125 ASN N N 118.628 0.300 1 1405 125 125 ASN ND2 N 112.979 0.300 1 1406 126 126 SER H H 8.060 0.020 1 1407 126 126 SER HA H 4.447 0.020 1 1408 126 126 SER HB2 H 3.820 0.020 2 1409 126 126 SER HB3 H 3.820 0.020 2 1410 126 126 SER C C 173.152 0.300 1 1411 126 126 SER CA C 58.277 0.300 1 1412 126 126 SER CB C 64.030 0.300 1 1413 126 126 SER N N 115.940 0.300 1 1414 127 127 TYR H H 7.700 0.020 1 1415 127 127 TYR HA H 4.420 0.020 1 1416 127 127 TYR HB2 H 2.918 0.020 1 1417 127 127 TYR HB3 H 3.095 0.020 1 1418 127 127 TYR HD1 H 7.122 0.020 1 1419 127 127 TYR HD2 H 7.122 0.020 1 1420 127 127 TYR HE1 H 6.835 0.020 1 1421 127 127 TYR HE2 H 6.835 0.020 1 1422 127 127 TYR C C 180.514 0.300 1 1423 127 127 TYR CA C 59.169 0.300 1 1424 127 127 TYR CB C 39.273 0.300 1 1425 127 127 TYR CD1 C 133.406 0.300 1 1426 127 127 TYR CE1 C 118.202 0.300 1 1427 127 127 TYR N N 126.614 0.300 1 stop_ save_