data_11599 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of eIF1 ; _BMRB_accession_number 11599 _BMRB_flat_file_name bmr11599.str _Entry_type original _Submission_date 2015-10-16 _Accession_date 2015-10-18 _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 NAGATA Takashi . . 2 OBAYASHI Eiji . . 3 ASANO Katsura . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 620 "13C chemical shifts" 473 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-20 original BMRB . stop_ _Original_release_date 2016-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of eIF1 ; _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 NAGATA Takashi . . 2 OBAYASHI Eiji . . 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 eIF1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label eIF1 $eIF1 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_eIF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common eIF1 _Molecular_mass 12330.247 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MSIENLKSFDPFADTGDDET ATSNYIHIRIQQRNGRKTLT TVQGVPEEYDLKRILKVLKK DFACNGNIVKDPEMGEIIQL QGDQRAKVCEFMISQLGLQK KNIKIHGF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 ILE 4 4 GLU 5 5 ASN 6 6 LEU 7 7 LYS 8 8 SER 9 9 PHE 10 10 ASP 11 11 PRO 12 12 PHE 13 13 ALA 14 14 ASP 15 15 THR 16 16 GLY 17 17 ASP 18 18 ASP 19 19 GLU 20 20 THR 21 21 ALA 22 22 THR 23 23 SER 24 24 ASN 25 25 TYR 26 26 ILE 27 27 HIS 28 28 ILE 29 29 ARG 30 30 ILE 31 31 GLN 32 32 GLN 33 33 ARG 34 34 ASN 35 35 GLY 36 36 ARG 37 37 LYS 38 38 THR 39 39 LEU 40 40 THR 41 41 THR 42 42 VAL 43 43 GLN 44 44 GLY 45 45 VAL 46 46 PRO 47 47 GLU 48 48 GLU 49 49 TYR 50 50 ASP 51 51 LEU 52 52 LYS 53 53 ARG 54 54 ILE 55 55 LEU 56 56 LYS 57 57 VAL 58 58 LEU 59 59 LYS 60 60 LYS 61 61 ASP 62 62 PHE 63 63 ALA 64 64 CYS 65 65 ASN 66 66 GLY 67 67 ASN 68 68 ILE 69 69 VAL 70 70 LYS 71 71 ASP 72 72 PRO 73 73 GLU 74 74 MET 75 75 GLY 76 76 GLU 77 77 ILE 78 78 ILE 79 79 GLN 80 80 LEU 81 81 GLN 82 82 GLY 83 83 ASP 84 84 GLN 85 85 ARG 86 86 ALA 87 87 LYS 88 88 VAL 89 89 CYS 90 90 GLU 91 91 PHE 92 92 MET 93 93 ILE 94 94 SER 95 95 GLN 96 96 LEU 97 97 GLY 98 98 LEU 99 99 GLN 100 100 LYS 101 101 LYS 102 102 ASN 103 103 ILE 104 104 LYS 105 105 ILE 106 106 HIS 107 107 GLY 108 108 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB AAA35131 SUI1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $eIF1 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $eIF1 'recombinant technology' . Escherichia coli . pET28b 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 $eIF1 0.4 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 5 % [U-2H] H2O 95 % '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_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.984 loop_ _Vendor _Address _Electronic_address 'Naohira Kobayashi' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address Johnson . . stop_ loop_ _Task collection 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address Delaglio . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address Delaglio . . stop_ loop_ _Task processing 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 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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _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' 170 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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 '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 eIF1 _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 SER C C 174.755 0.300 1 2 2 2 SER CA C 57.999 0.300 1 3 2 2 SER CB C 63.850 0.300 1 4 3 3 ILE H H 8.193 0.030 1 5 3 3 ILE HA H 4.215 0.030 1 6 3 3 ILE HB H 1.888 0.030 1 7 3 3 ILE HG12 H 1.154 0.030 2 8 3 3 ILE HG13 H 1.425 0.030 2 9 3 3 ILE HG2 H 0.898 0.030 1 10 3 3 ILE HD1 H 0.841 0.030 1 11 3 3 ILE C C 176.481 0.300 1 12 3 3 ILE CA C 61.201 0.300 1 13 3 3 ILE CB C 38.818 0.300 1 14 3 3 ILE CG1 C 27.072 0.300 1 15 3 3 ILE CG2 C 17.629 0.300 1 16 3 3 ILE CD1 C 13.196 0.300 1 17 3 3 ILE N N 122.328 0.300 1 18 4 4 GLU H H 8.425 0.030 1 19 4 4 GLU HB2 H 1.887 0.030 2 20 4 4 GLU C C 176.435 0.300 1 21 4 4 GLU CA C 57.340 0.300 1 22 4 4 GLU CB C 29.854 0.300 1 23 4 4 GLU N N 123.518 0.300 1 24 5 5 ASN H H 8.284 0.030 1 25 5 5 ASN C C 175.203 0.300 1 26 5 5 ASN CA C 53.466 0.300 1 27 5 5 ASN CB C 38.796 0.300 1 28 5 5 ASN N N 118.922 0.300 1 29 6 6 LEU H H 8.077 0.030 1 30 6 6 LEU HA H 4.312 0.030 1 31 6 6 LEU HB2 H 1.577 0.030 2 32 6 6 LEU HB3 H 1.618 0.030 2 33 6 6 LEU HG H 1.629 0.030 1 34 6 6 LEU HD1 H 0.858 0.030 2 35 6 6 LEU HD2 H 0.899 0.030 2 36 6 6 LEU C C 177.436 0.300 1 37 6 6 LEU CA C 55.388 0.300 1 38 6 6 LEU CB C 42.379 0.300 1 39 6 6 LEU CG C 27.049 0.300 1 40 6 6 LEU CD1 C 23.606 0.300 2 41 6 6 LEU CD2 C 24.894 0.300 2 42 6 6 LEU N N 122.237 0.300 1 43 7 7 LYS H H 8.171 0.030 1 44 7 7 LYS C C 176.527 0.300 1 45 7 7 LYS CA C 56.392 0.300 1 46 7 7 LYS CB C 32.821 0.300 1 47 7 7 LYS N N 121.351 0.300 1 48 8 8 SER H H 8.095 0.030 1 49 8 8 SER HA H 4.459 0.030 1 50 8 8 SER HB2 H 3.836 0.030 1 51 8 8 SER HB3 H 3.836 0.030 1 52 8 8 SER C C 173.849 0.300 1 53 8 8 SER CA C 58.370 0.300 1 54 8 8 SER CB C 63.850 0.300 1 55 8 8 SER N N 116.220 0.300 1 56 9 9 PHE H H 8.121 0.030 1 57 9 9 PHE HA H 4.572 0.030 1 58 9 9 PHE HB2 H 3.016 0.030 1 59 9 9 PHE HB3 H 3.016 0.030 1 60 9 9 PHE HD1 H 7.180 0.030 1 61 9 9 PHE HD2 H 7.180 0.030 1 62 9 9 PHE C C 174.447 0.300 1 63 9 9 PHE CA C 57.669 0.300 1 64 9 9 PHE CB C 39.744 0.300 1 65 9 9 PHE CD1 C 131.816 0.300 1 66 9 9 PHE CD2 C 131.816 0.300 1 67 9 9 PHE N N 122.235 0.300 1 68 10 10 ASP H H 8.166 0.030 1 69 10 10 ASP HA H 4.834 0.030 1 70 10 10 ASP HB2 H 2.460 0.030 2 71 10 10 ASP HB3 H 2.720 0.030 2 72 10 10 ASP C C 174.588 0.300 1 73 10 10 ASP CA C 50.993 0.300 1 74 10 10 ASP CB C 41.804 0.300 1 75 10 10 ASP N N 124.427 0.300 1 76 11 11 PRO HA H 4.160 0.030 1 77 11 11 PRO HB2 H 1.428 0.030 2 78 11 11 PRO HB3 H 2.083 0.030 2 79 11 11 PRO HG2 H 1.541 0.030 2 80 11 11 PRO HG3 H 1.796 0.030 2 81 11 11 PRO HD2 H 3.691 0.030 2 82 11 11 PRO HD3 H 3.563 0.030 2 83 11 11 PRO C C 176.775 0.300 1 84 11 11 PRO CA C 63.491 0.300 1 85 11 11 PRO CB C 31.884 0.300 1 86 11 11 PRO CG C 26.554 0.300 1 87 11 11 PRO CD C 50.730 0.300 1 88 12 12 PHE H H 8.125 0.030 1 89 12 12 PHE HA H 4.604 0.030 1 90 12 12 PHE HB2 H 2.929 0.030 2 91 12 12 PHE HB3 H 3.254 0.030 2 92 12 12 PHE HD1 H 7.261 0.030 1 93 12 12 PHE HD2 H 7.261 0.030 1 94 12 12 PHE C C 175.680 0.300 1 95 12 12 PHE CA C 57.463 0.300 1 96 12 12 PHE CB C 38.632 0.300 1 97 12 12 PHE CD1 C 131.569 0.300 1 98 12 12 PHE CD2 C 131.569 0.300 1 99 12 12 PHE N N 117.848 0.300 1 100 13 13 ALA H H 7.479 0.030 1 101 13 13 ALA HA H 4.228 0.030 1 102 13 13 ALA HB H 1.353 0.030 1 103 13 13 ALA C C 177.291 0.300 1 104 13 13 ALA CA C 52.716 0.300 1 105 13 13 ALA CB C 19.523 0.300 1 106 13 13 ALA N N 123.816 0.300 1 107 14 14 ASP H H 8.305 0.030 1 108 14 14 ASP HA H 4.670 0.030 1 109 14 14 ASP HB2 H 2.595 0.030 2 110 14 14 ASP HB3 H 2.731 0.030 2 111 14 14 ASP C C 176.597 0.300 1 112 14 14 ASP CA C 54.290 0.300 1 113 14 14 ASP CB C 41.269 0.300 1 114 14 14 ASP N N 119.875 0.300 1 115 15 15 THR H H 8.129 0.030 1 116 15 15 THR HA H 4.327 0.030 1 117 15 15 THR HB H 4.323 0.030 1 118 15 15 THR HG2 H 1.188 0.030 1 119 15 15 THR C C 175.434 0.300 1 120 15 15 THR CA C 61.872 0.300 1 121 15 15 THR CB C 69.759 0.300 1 122 15 15 THR CG2 C 21.666 0.300 1 123 15 15 THR N N 113.855 0.300 1 124 16 16 GLY H H 8.426 0.030 1 125 16 16 GLY HA2 H 3.959 0.030 1 126 16 16 GLY HA3 H 3.959 0.030 1 127 16 16 GLY C C 173.972 0.300 1 128 16 16 GLY CA C 45.485 0.300 1 129 16 16 GLY N N 111.080 0.300 1 130 17 17 ASP H H 8.213 0.030 1 131 17 17 ASP HA H 4.617 0.030 1 132 17 17 ASP HB2 H 2.580 0.030 1 133 17 17 ASP HB3 H 2.580 0.030 1 134 17 17 ASP C C 176.004 0.300 1 135 17 17 ASP CA C 54.496 0.300 1 136 17 17 ASP CB C 41.433 0.300 1 137 17 17 ASP N N 120.502 0.300 1 138 18 18 ASP H H 8.320 0.030 1 139 18 18 ASP HA H 4.578 0.030 1 140 18 18 ASP HB2 H 2.706 0.030 2 141 18 18 ASP HB3 H 2.588 0.030 2 142 18 18 ASP C C 176.682 0.300 1 143 18 18 ASP CA C 54.496 0.300 1 144 18 18 ASP CB C 41.248 0.300 1 145 18 18 ASP N N 120.533 0.300 1 146 19 19 GLU H H 8.513 0.030 1 147 19 19 GLU HA H 4.288 0.030 1 148 19 19 GLU HB2 H 1.974 0.030 2 149 19 19 GLU HB3 H 2.086 0.030 2 150 19 19 GLU HG2 H 2.267 0.030 2 151 19 19 GLU HG3 H 2.215 0.030 2 152 19 19 GLU C C 177.066 0.300 1 153 19 19 GLU CA C 57.380 0.300 1 154 19 19 GLU CB C 29.847 0.300 1 155 19 19 GLU CG C 36.367 0.300 1 156 19 19 GLU N N 121.730 0.300 1 157 20 20 THR H H 8.217 0.030 1 158 20 20 THR HA H 4.280 0.030 1 159 20 20 THR HB H 4.233 0.030 1 160 20 20 THR HG2 H 1.148 0.030 1 161 20 20 THR C C 174.819 0.300 1 162 20 20 THR CA C 62.436 0.300 1 163 20 20 THR CB C 69.631 0.300 1 164 20 20 THR CG2 C 21.689 0.300 1 165 20 20 THR N N 114.126 0.300 1 166 21 21 ALA H H 8.166 0.030 1 167 21 21 ALA HA H 4.366 0.030 1 168 21 21 ALA HB H 1.408 0.030 1 169 21 21 ALA C C 178.069 0.300 1 170 21 21 ALA CA C 52.904 0.300 1 171 21 21 ALA CB C 19.224 0.300 1 172 21 21 ALA N N 125.917 0.300 1 173 22 22 THR H H 8.038 0.030 1 174 22 22 THR HA H 4.710 0.030 1 175 22 22 THR C C 174.819 0.300 1 176 22 22 THR CA C 61.790 0.300 1 177 22 22 THR CB C 69.454 0.300 1 178 22 22 THR N N 112.224 0.300 1 179 23 23 SER HA H 4.446 0.030 1 180 23 23 SER HB2 H 3.829 0.030 1 181 23 23 SER HB3 H 3.829 0.030 1 182 23 23 SER C C 173.582 0.300 1 183 23 23 SER CA C 58.212 0.300 1 184 23 23 SER CB C 63.697 0.300 1 185 24 24 ASN H H 8.162 0.030 1 186 24 24 ASN HA H 4.736 0.030 1 187 24 24 ASN HB2 H 2.572 0.030 2 188 24 24 ASN HB3 H 2.701 0.030 2 189 24 24 ASN HD21 H 6.889 0.030 2 190 24 24 ASN HD22 H 7.452 0.030 2 191 24 24 ASN C C 174.108 0.300 1 192 24 24 ASN CA C 53.260 0.300 1 193 24 24 ASN CB C 39.148 0.300 1 194 24 24 ASN N N 120.050 0.300 1 195 24 24 ASN ND2 N 113.038 0.300 1 196 25 25 TYR H H 7.865 0.030 1 197 25 25 TYR HA H 4.829 0.030 1 198 25 25 TYR HB2 H 2.273 0.030 2 199 25 25 TYR HB3 H 2.434 0.030 2 200 25 25 TYR HD1 H 6.985 0.030 1 201 25 25 TYR HD2 H 6.985 0.030 1 202 25 25 TYR HE1 H 6.879 0.030 1 203 25 25 TYR HE2 H 6.879 0.030 1 204 25 25 TYR C C 175.188 0.300 1 205 25 25 TYR CA C 57.051 0.300 1 206 25 25 TYR CB C 39.815 0.300 1 207 25 25 TYR CD1 C 132.644 0.300 1 208 25 25 TYR CD2 C 132.644 0.300 1 209 25 25 TYR CE1 C 118.506 0.300 1 210 25 25 TYR CE2 C 118.506 0.300 1 211 25 25 TYR N N 119.285 0.300 1 212 26 26 ILE H H 8.287 0.030 1 213 26 26 ILE HA H 4.531 0.030 1 214 26 26 ILE HB H 1.667 0.030 1 215 26 26 ILE HG12 H 0.971 0.030 2 216 26 26 ILE HG13 H 1.607 0.030 2 217 26 26 ILE HG2 H 0.718 0.030 1 218 26 26 ILE HD1 H 0.800 0.030 1 219 26 26 ILE C C 175.072 0.300 1 220 26 26 ILE CA C 60.513 0.300 1 221 26 26 ILE CB C 39.239 0.300 1 222 26 26 ILE CG1 C 28.743 0.300 1 223 26 26 ILE CG2 C 17.947 0.300 1 224 26 26 ILE CD1 C 14.951 0.300 1 225 26 26 ILE N N 121.316 0.300 1 226 27 27 HIS H H 8.780 0.030 1 227 27 27 HIS HA H 5.398 0.030 1 228 27 27 HIS HB2 H 2.713 0.030 2 229 27 27 HIS HB3 H 3.011 0.030 2 230 27 27 HIS HD2 H 6.980 0.030 1 231 27 27 HIS HE1 H 7.852 0.030 1 232 27 27 HIS C C 175.688 0.300 1 233 27 27 HIS CA C 55.691 0.300 1 234 27 27 HIS CB C 34.181 0.300 1 235 27 27 HIS CD2 C 119.060 0.300 1 236 27 27 HIS CE1 C 137.385 0.300 1 237 27 27 HIS N N 124.870 0.300 1 238 28 28 ILE H H 9.372 0.030 1 239 28 28 ILE HA H 5.191 0.030 1 240 28 28 ILE HB H 1.854 0.030 1 241 28 28 ILE HG12 H 1.610 0.030 2 242 28 28 ILE HG13 H 0.826 0.030 2 243 28 28 ILE HG2 H 0.883 0.030 1 244 28 28 ILE HD1 H 0.729 0.030 1 245 28 28 ILE C C 174.432 0.300 1 246 28 28 ILE CA C 60.317 0.300 1 247 28 28 ILE CB C 39.040 0.300 1 248 28 28 ILE CG1 C 27.646 0.300 1 249 28 28 ILE CG2 C 18.853 0.300 1 250 28 28 ILE CD1 C 14.304 0.300 1 251 28 28 ILE N N 126.444 0.300 1 252 29 29 ARG H H 8.919 0.030 1 253 29 29 ARG HA H 4.957 0.030 1 254 29 29 ARG HB2 H 1.715 0.030 2 255 29 29 ARG HB3 H 1.564 0.030 2 256 29 29 ARG HG2 H 1.330 0.030 2 257 29 29 ARG HG3 H 1.283 0.030 2 258 29 29 ARG HD2 H 2.930 0.030 2 259 29 29 ARG HD3 H 2.719 0.030 2 260 29 29 ARG C C 174.896 0.300 1 261 29 29 ARG CA C 54.702 0.300 1 262 29 29 ARG CB C 33.909 0.300 1 263 29 29 ARG CG C 28.870 0.300 1 264 29 29 ARG CD C 43.251 0.300 1 265 29 29 ARG N N 125.284 0.300 1 266 30 30 ILE H H 8.199 0.030 1 267 30 30 ILE HA H 5.441 0.030 1 268 30 30 ILE HB H 1.453 0.030 1 269 30 30 ILE HG12 H 0.922 0.030 2 270 30 30 ILE HG13 H 1.319 0.030 2 271 30 30 ILE HG2 H 0.645 0.030 1 272 30 30 ILE HD1 H 0.644 0.030 1 273 30 30 ILE C C 174.702 0.300 1 274 30 30 ILE CA C 58.547 0.300 1 275 30 30 ILE CB C 41.717 0.300 1 276 30 30 ILE CG1 C 27.348 0.300 1 277 30 30 ILE CG2 C 16.741 0.300 1 278 30 30 ILE CD1 C 13.854 0.300 1 279 30 30 ILE N N 116.683 0.300 1 280 31 31 GLN H H 8.956 0.030 1 281 31 31 GLN HA H 4.696 0.030 1 282 31 31 GLN HB2 H 1.847 0.030 2 283 31 31 GLN HB3 H 1.989 0.030 2 284 31 31 GLN HG2 H 2.163 0.030 1 285 31 31 GLN HG3 H 2.163 0.030 1 286 31 31 GLN HE21 H 7.269 0.030 2 287 31 31 GLN HE22 H 6.670 0.030 2 288 31 31 GLN C C 174.316 0.300 1 289 31 31 GLN CA C 54.620 0.300 1 290 31 31 GLN CB C 32.297 0.300 1 291 31 31 GLN CG C 33.822 0.300 1 292 31 31 GLN N N 123.308 0.300 1 293 31 31 GLN NE2 N 111.365 0.300 1 294 32 32 GLN H H 8.851 0.030 1 295 32 32 GLN HA H 4.980 0.030 1 296 32 32 GLN HB2 H 1.868 0.030 1 297 32 32 GLN HB3 H 1.868 0.030 1 298 32 32 GLN HG2 H 2.171 0.030 1 299 32 32 GLN HG3 H 2.171 0.030 1 300 32 32 GLN HE21 H 7.399 0.030 2 301 32 32 GLN HE22 H 6.773 0.030 2 302 32 32 GLN C C 175.272 0.300 1 303 32 32 GLN CA C 54.990 0.300 1 304 32 32 GLN CB C 30.291 0.300 1 305 32 32 GLN CG C 34.127 0.300 1 306 32 32 GLN N N 123.350 0.300 1 307 32 32 GLN NE2 N 111.290 0.300 1 308 33 33 ARG H H 8.648 0.030 1 309 33 33 ARG HA H 4.431 0.030 1 310 33 33 ARG HB2 H 1.617 0.030 2 311 33 33 ARG HB3 H 1.792 0.030 2 312 33 33 ARG HG2 H 1.546 0.030 1 313 33 33 ARG HG3 H 1.546 0.030 1 314 33 33 ARG HD2 H 3.113 0.030 2 315 33 33 ARG HD3 H 3.139 0.030 2 316 33 33 ARG C C 175.619 0.300 1 317 33 33 ARG CA C 55.032 0.300 1 318 33 33 ARG CB C 32.066 0.300 1 319 33 33 ARG CG C 26.683 0.300 1 320 33 33 ARG CD C 43.343 0.300 1 321 33 33 ARG N N 123.844 0.300 1 322 36 36 ARG HA H 4.244 0.030 1 323 36 36 ARG HB2 H 1.972 0.030 1 324 36 36 ARG HB3 H 1.972 0.030 1 325 36 36 ARG HG2 H 1.554 0.030 1 326 36 36 ARG HG3 H 1.554 0.030 1 327 36 36 ARG HD2 H 3.163 0.030 1 328 36 36 ARG HD3 H 3.163 0.030 1 329 36 36 ARG C C 175.711 0.300 1 330 36 36 ARG CA C 55.987 0.300 1 331 36 36 ARG CB C 30.060 0.300 1 332 36 36 ARG CG C 27.138 0.300 1 333 36 36 ARG CD C 43.304 0.300 1 334 37 37 LYS H H 7.962 0.030 1 335 37 37 LYS HA H 4.433 0.030 1 336 37 37 LYS HB2 H 1.781 0.030 2 337 37 37 LYS HE2 H 2.960 0.030 1 338 37 37 LYS HE3 H 2.960 0.030 1 339 37 37 LYS C C 176.127 0.300 1 340 37 37 LYS CA C 56.103 0.300 1 341 37 37 LYS CB C 32.821 0.300 1 342 37 37 LYS CG C 24.905 0.300 1 343 37 37 LYS CD C 29.111 0.300 1 344 37 37 LYS CE C 42.222 0.300 1 345 37 37 LYS N N 120.533 0.300 1 346 38 38 THR H H 8.427 0.030 1 347 38 38 THR HA H 4.671 0.030 1 348 38 38 THR HB H 3.906 0.030 1 349 38 38 THR HG2 H 1.131 0.030 1 350 38 38 THR C C 173.772 0.300 1 351 38 38 THR CA C 63.067 0.300 1 352 38 38 THR CB C 70.443 0.300 1 353 38 38 THR CG2 C 22.431 0.300 1 354 38 38 THR N N 119.464 0.300 1 355 39 39 LEU H H 8.566 0.030 1 356 39 39 LEU HA H 5.335 0.030 1 357 39 39 LEU HB2 H 1.405 0.030 2 358 39 39 LEU HB3 H 1.488 0.030 2 359 39 39 LEU HG H 1.548 0.030 1 360 39 39 LEU HD1 H 0.726 0.030 2 361 39 39 LEU HD2 H 0.765 0.030 2 362 39 39 LEU C C 176.250 0.300 1 363 39 39 LEU CA C 53.964 0.300 1 364 39 39 LEU CB C 46.573 0.300 1 365 39 39 LEU CG C 26.656 0.300 1 366 39 39 LEU CD1 C 25.558 0.300 2 367 39 39 LEU CD2 C 24.795 0.300 2 368 39 39 LEU N N 125.917 0.300 1 369 40 40 THR H H 9.593 0.030 1 370 40 40 THR HA H 5.384 0.030 1 371 40 40 THR HB H 3.857 0.030 1 372 40 40 THR HG2 H 0.940 0.030 1 373 40 40 THR C C 173.849 0.300 1 374 40 40 THR CA C 61.748 0.300 1 375 40 40 THR CB C 70.861 0.300 1 376 40 40 THR CG2 C 20.784 0.300 1 377 40 40 THR N N 118.949 0.300 1 378 41 41 THR H H 9.367 0.030 1 379 41 41 THR HA H 5.541 0.030 1 380 41 41 THR HB H 4.000 0.030 1 381 41 41 THR HG2 H 1.034 0.030 1 382 41 41 THR C C 173.909 0.300 1 383 41 41 THR CA C 59.614 0.300 1 384 41 41 THR CB C 71.308 0.300 1 385 41 41 THR CG2 C 22.056 0.300 1 386 41 41 THR N N 118.875 0.300 1 387 42 42 VAL H H 8.793 0.030 1 388 42 42 VAL HA H 4.737 0.030 1 389 42 42 VAL HB H 2.040 0.030 1 390 42 42 VAL HG1 H 0.697 0.030 2 391 42 42 VAL HG2 H 0.763 0.030 2 392 42 42 VAL C C 174.018 0.300 1 393 42 42 VAL CA C 61.584 0.300 1 394 42 42 VAL CB C 33.745 0.300 1 395 42 42 VAL CG1 C 21.560 0.300 2 396 42 42 VAL CG2 C 20.999 0.300 2 397 42 42 VAL N N 121.802 0.300 1 398 43 43 GLN H H 8.966 0.030 1 399 43 43 GLN HA H 4.988 0.030 1 400 43 43 GLN HB2 H 2.272 0.030 2 401 43 43 GLN HB3 H 2.001 0.030 2 402 43 43 GLN HG2 H 2.540 0.030 2 403 43 43 GLN HG3 H 2.453 0.030 2 404 43 43 GLN HE21 H 6.981 0.030 2 405 43 43 GLN HE22 H 7.634 0.030 2 406 43 43 GLN C C 174.742 0.300 1 407 43 43 GLN CA C 54.578 0.300 1 408 43 43 GLN CB C 32.882 0.300 1 409 43 43 GLN CG C 33.677 0.300 1 410 43 43 GLN N N 128.678 0.300 1 411 43 43 GLN NE2 N 111.492 0.300 1 412 44 44 GLY H H 9.085 0.030 1 413 44 44 GLY HA2 H 3.822 0.030 2 414 44 44 GLY HA3 H 4.552 0.030 2 415 44 44 GLY C C 174.772 0.300 1 416 44 44 GLY CA C 45.542 0.300 1 417 44 44 GLY N N 112.755 0.300 1 418 45 45 VAL H H 8.098 0.030 1 419 45 45 VAL HA H 3.724 0.030 1 420 45 45 VAL HB H 2.120 0.030 1 421 45 45 VAL HG1 H 0.772 0.030 2 422 45 45 VAL HG2 H 0.932 0.030 2 423 45 45 VAL C C 175.065 0.300 1 424 45 45 VAL CA C 62.083 0.300 1 425 45 45 VAL CB C 31.674 0.300 1 426 45 45 VAL CG1 C 23.211 0.300 2 427 45 45 VAL CG2 C 21.300 0.300 2 428 45 45 VAL N N 121.866 0.300 1 429 46 46 PRO HA H 4.400 0.030 1 430 46 46 PRO HB2 H 1.987 0.030 2 431 46 46 PRO HB3 H 2.573 0.030 2 432 46 46 PRO HG2 H 2.118 0.030 2 433 46 46 PRO HG3 H 2.184 0.030 2 434 46 46 PRO HD2 H 3.461 0.030 2 435 46 46 PRO HD3 H 4.145 0.030 2 436 46 46 PRO C C 177.145 0.300 1 437 46 46 PRO CA C 64.015 0.300 1 438 46 46 PRO CB C 32.802 0.300 1 439 46 46 PRO CG C 27.924 0.300 1 440 46 46 PRO CD C 51.134 0.300 1 441 47 47 GLU H H 8.683 0.030 1 442 47 47 GLU HA H 4.130 0.030 1 443 47 47 GLU HB2 H 2.081 0.030 1 444 47 47 GLU HB3 H 2.081 0.030 1 445 47 47 GLU HG2 H 2.352 0.030 1 446 47 47 GLU HG3 H 2.352 0.030 1 447 47 47 GLU C C 177.121 0.300 1 448 47 47 GLU CA C 58.988 0.300 1 449 47 47 GLU CB C 29.795 0.300 1 450 47 47 GLU CG C 36.317 0.300 1 451 47 47 GLU N N 121.735 0.300 1 452 48 48 GLU H H 8.915 0.030 1 453 48 48 GLU HA H 4.026 0.030 1 454 48 48 GLU HB2 H 1.711 0.030 2 455 48 48 GLU HB3 H 1.757 0.030 2 456 48 48 GLU HG2 H 1.701 0.030 2 457 48 48 GLU HG3 H 1.732 0.030 2 458 48 48 GLU C C 176.558 0.300 1 459 48 48 GLU CA C 58.823 0.300 1 460 48 48 GLU CB C 28.773 0.300 1 461 48 48 GLU CG C 35.729 0.300 1 462 48 48 GLU N N 117.636 0.300 1 463 49 49 TYR H H 7.802 0.030 1 464 49 49 TYR HA H 4.479 0.030 1 465 49 49 TYR HB2 H 2.741 0.030 2 466 49 49 TYR HB3 H 2.869 0.030 2 467 49 49 TYR HD1 H 7.142 0.030 1 468 49 49 TYR HD2 H 7.142 0.030 1 469 49 49 TYR HE1 H 6.769 0.030 1 470 49 49 TYR HE2 H 6.769 0.030 1 471 49 49 TYR C C 174.357 0.300 1 472 49 49 TYR CA C 58.066 0.300 1 473 49 49 TYR CB C 38.517 0.300 1 474 49 49 TYR CD1 C 132.657 0.300 1 475 49 49 TYR CD2 C 132.657 0.300 1 476 49 49 TYR CE1 C 117.981 0.300 1 477 49 49 TYR CE2 C 117.981 0.300 1 478 49 49 TYR N N 119.451 0.300 1 479 50 50 ASP H H 8.315 0.030 1 480 50 50 ASP HA H 4.549 0.030 1 481 50 50 ASP HB2 H 2.595 0.030 2 482 50 50 ASP HB3 H 3.140 0.030 2 483 50 50 ASP C C 176.505 0.300 1 484 50 50 ASP CA C 53.549 0.300 1 485 50 50 ASP CB C 40.980 0.300 1 486 50 50 ASP N N 119.436 0.300 1 487 51 51 LEU H H 8.926 0.030 1 488 51 51 LEU HA H 3.854 0.030 1 489 51 51 LEU HB2 H 1.786 0.030 2 490 51 51 LEU HB3 H 1.453 0.030 2 491 51 51 LEU HG H 1.810 0.030 1 492 51 51 LEU HD1 H 0.804 0.030 2 493 51 51 LEU HD2 H 0.891 0.030 2 494 51 51 LEU C C 178.770 0.300 1 495 51 51 LEU CA C 58.417 0.300 1 496 51 51 LEU CB C 41.858 0.300 1 497 51 51 LEU CG C 27.214 0.300 1 498 51 51 LEU CD1 C 23.503 0.300 2 499 51 51 LEU CD2 C 25.096 0.300 2 500 51 51 LEU N N 127.200 0.300 1 501 52 52 LYS H H 8.151 0.030 1 502 52 52 LYS HA H 3.836 0.030 1 503 52 52 LYS HB2 H 1.765 0.030 2 504 52 52 LYS HB3 H 2.015 0.030 2 505 52 52 LYS HG2 H 1.387 0.030 2 506 52 52 LYS HG3 H 1.574 0.030 2 507 52 52 LYS HD2 H 1.722 0.030 1 508 52 52 LYS HD3 H 1.722 0.030 1 509 52 52 LYS HE2 H 3.016 0.030 1 510 52 52 LYS HE3 H 3.016 0.030 1 511 52 52 LYS C C 179.752 0.300 1 512 52 52 LYS CA C 60.192 0.300 1 513 52 52 LYS CB C 31.497 0.300 1 514 52 52 LYS CG C 25.777 0.300 1 515 52 52 LYS CD C 29.212 0.300 1 516 52 52 LYS CE C 41.727 0.300 1 517 52 52 LYS N N 116.743 0.300 1 518 53 53 ARG H H 7.575 0.030 1 519 53 53 ARG HA H 4.003 0.030 1 520 53 53 ARG HB2 H 1.928 0.030 2 521 53 53 ARG HB3 H 2.069 0.030 2 522 53 53 ARG HG2 H 1.757 0.030 2 523 53 53 ARG HG3 H 1.635 0.030 2 524 53 53 ARG HD2 H 3.290 0.030 2 525 53 53 ARG HD3 H 3.258 0.030 2 526 53 53 ARG C C 178.700 0.300 1 527 53 53 ARG CA C 59.073 0.300 1 528 53 53 ARG CB C 29.957 0.300 1 529 53 53 ARG CG C 27.711 0.300 1 530 53 53 ARG CD C 43.459 0.300 1 531 53 53 ARG N N 121.515 0.300 1 532 54 54 ILE H H 7.898 0.030 1 533 54 54 ILE HA H 3.549 0.030 1 534 54 54 ILE HB H 1.938 0.030 1 535 54 54 ILE HG12 H 1.179 0.030 2 536 54 54 ILE HG13 H 1.886 0.030 2 537 54 54 ILE HG2 H 0.617 0.030 1 538 54 54 ILE HD1 H 0.792 0.030 1 539 54 54 ILE C C 177.144 0.300 1 540 54 54 ILE CA C 65.347 0.300 1 541 54 54 ILE CB C 37.485 0.300 1 542 54 54 ILE CG1 C 28.854 0.300 1 543 54 54 ILE CG2 C 16.543 0.300 1 544 54 54 ILE CD1 C 14.020 0.300 1 545 54 54 ILE N N 119.269 0.300 1 546 55 55 LEU H H 8.314 0.030 1 547 55 55 LEU HA H 3.741 0.030 1 548 55 55 LEU HB2 H 1.333 0.030 2 549 55 55 LEU HB3 H 1.904 0.030 2 550 55 55 LEU HG H 1.447 0.030 1 551 55 55 LEU HD1 H 0.613 0.030 2 552 55 55 LEU HD2 H 0.871 0.030 2 553 55 55 LEU C C 177.389 0.300 1 554 55 55 LEU CA C 58.278 0.300 1 555 55 55 LEU CB C 41.433 0.300 1 556 55 55 LEU CG C 26.565 0.300 1 557 55 55 LEU CD1 C 23.071 0.300 2 558 55 55 LEU CD2 C 25.812 0.300 2 559 55 55 LEU N N 118.775 0.300 1 560 56 56 LYS H H 7.595 0.030 1 561 56 56 LYS HA H 3.848 0.030 1 562 56 56 LYS HB2 H 1.963 0.030 1 563 56 56 LYS HB3 H 1.963 0.030 1 564 56 56 LYS HG2 H 1.380 0.030 2 565 56 56 LYS HG3 H 1.600 0.030 2 566 56 56 LYS HD2 H 1.688 0.030 2 567 56 56 LYS HD3 H 1.621 0.030 2 568 56 56 LYS HE2 H 2.955 0.030 1 569 56 56 LYS HE3 H 2.955 0.030 1 570 56 56 LYS C C 179.401 0.300 1 571 56 56 LYS CA C 60.182 0.300 1 572 56 56 LYS CB C 32.452 0.300 1 573 56 56 LYS CG C 25.215 0.300 1 574 56 56 LYS CD C 29.624 0.300 1 575 56 56 LYS CE C 42.140 0.300 1 576 56 56 LYS N N 117.287 0.300 1 577 57 57 VAL H H 7.774 0.030 1 578 57 57 VAL HA H 3.688 0.030 1 579 57 57 VAL HB H 2.064 0.030 1 580 57 57 VAL HG1 H 1.144 0.030 2 581 57 57 VAL HG2 H 1.151 0.030 2 582 57 57 VAL C C 178.184 0.300 1 583 57 57 VAL CA C 66.522 0.300 1 584 57 57 VAL CB C 31.626 0.300 1 585 57 57 VAL CG1 C 22.581 0.300 2 586 57 57 VAL CG2 C 22.435 0.300 2 587 57 57 VAL N N 119.660 0.300 1 588 58 58 LEU H H 8.274 0.030 1 589 58 58 LEU HA H 3.627 0.030 1 590 58 58 LEU HB2 H 1.645 0.030 2 591 58 58 LEU HB3 H 0.923 0.030 2 592 58 58 LEU HG H 1.192 0.030 1 593 58 58 LEU HD1 H -0.163 0.030 2 594 58 58 LEU HD2 H 0.385 0.030 2 595 58 58 LEU C C 179.486 0.300 1 596 58 58 LEU CA C 57.974 0.300 1 597 58 58 LEU CB C 40.637 0.300 1 598 58 58 LEU CG C 26.055 0.300 1 599 58 58 LEU CD1 C 21.253 0.300 2 600 58 58 LEU CD2 C 26.359 0.300 2 601 58 58 LEU N N 120.236 0.300 1 602 59 59 LYS H H 8.220 0.030 1 603 59 59 LYS HA H 4.303 0.030 1 604 59 59 LYS HB2 H 1.850 0.030 2 605 59 59 LYS HB3 H 1.744 0.030 2 606 59 59 LYS HG2 H 1.352 0.030 2 607 59 59 LYS HG3 H 1.517 0.030 2 608 59 59 LYS HD2 H 1.619 0.030 1 609 59 59 LYS HD3 H 1.619 0.030 1 610 59 59 LYS HE2 H 2.927 0.030 2 611 59 59 LYS HE3 H 3.017 0.030 2 612 59 59 LYS C C 178.721 0.300 1 613 59 59 LYS CA C 59.276 0.300 1 614 59 59 LYS CB C 32.992 0.300 1 615 59 59 LYS CG C 24.895 0.300 1 616 59 59 LYS CD C 29.835 0.300 1 617 59 59 LYS CE C 41.982 0.300 1 618 59 59 LYS N N 117.047 0.300 1 619 60 60 LYS H H 7.734 0.030 1 620 60 60 LYS HA H 4.094 0.030 1 621 60 60 LYS HB2 H 1.842 0.030 2 622 60 60 LYS HB3 H 1.876 0.030 2 623 60 60 LYS HG2 H 1.472 0.030 1 624 60 60 LYS HG3 H 1.472 0.030 1 625 60 60 LYS HD2 H 1.738 0.030 1 626 60 60 LYS HD3 H 1.738 0.030 1 627 60 60 LYS HE2 H 3.009 0.030 1 628 60 60 LYS HE3 H 3.009 0.030 1 629 60 60 LYS C C 178.721 0.300 1 630 60 60 LYS CA C 58.953 0.300 1 631 60 60 LYS CB C 33.086 0.300 1 632 60 60 LYS CG C 24.327 0.300 1 633 60 60 LYS CD C 29.276 0.300 1 634 60 60 LYS CE C 42.057 0.300 1 635 60 60 LYS N N 118.087 0.300 1 636 61 61 ASP H H 8.873 0.030 1 637 61 61 ASP HA H 4.631 0.030 1 638 61 61 ASP HB2 H 2.243 0.030 2 639 61 61 ASP HB3 H 2.546 0.030 2 640 61 61 ASP C C 177.699 0.300 1 641 61 61 ASP CA C 56.103 0.300 1 642 61 61 ASP CB C 41.444 0.300 1 643 61 61 ASP N N 117.615 0.300 1 644 62 62 PHE H H 7.511 0.030 1 645 62 62 PHE HA H 4.723 0.030 1 646 62 62 PHE HB2 H 3.271 0.030 2 647 62 62 PHE HB3 H 3.233 0.030 2 648 62 62 PHE HD1 H 7.103 0.030 1 649 62 62 PHE HD2 H 7.103 0.030 1 650 62 62 PHE HE1 H 7.293 0.030 1 651 62 62 PHE HE2 H 7.293 0.030 1 652 62 62 PHE HZ H 7.189 0.030 1 653 62 62 PHE C C 174.695 0.300 1 654 62 62 PHE CA C 56.474 0.300 1 655 62 62 PHE CB C 38.961 0.300 1 656 62 62 PHE CD1 C 131.199 0.300 1 657 62 62 PHE CD2 C 131.199 0.300 1 658 62 62 PHE CE1 C 131.224 0.300 1 659 62 62 PHE CE2 C 131.224 0.300 1 660 62 62 PHE CZ C 129.100 0.300 1 661 62 62 PHE N N 115.925 0.300 1 662 63 63 ALA H H 7.727 0.030 1 663 63 63 ALA HA H 4.160 0.030 1 664 63 63 ALA HB H 1.370 0.030 1 665 63 63 ALA C C 176.343 0.300 1 666 63 63 ALA CA C 53.058 0.300 1 667 63 63 ALA CB C 16.658 0.300 1 668 63 63 ALA N N 121.033 0.300 1 669 64 64 CYS H H 7.835 0.030 1 670 64 64 CYS HA H 4.815 0.030 1 671 64 64 CYS HB2 H 2.521 0.030 1 672 64 64 CYS HB3 H 2.521 0.030 1 673 64 64 CYS C C 173.110 0.300 1 674 64 64 CYS CA C 57.587 0.300 1 675 64 64 CYS CB C 30.932 0.300 1 676 64 64 CYS N N 114.241 0.300 1 677 65 65 ASN H H 8.986 0.030 1 678 65 65 ASN HA H 4.902 0.030 1 679 65 65 ASN HB2 H 2.732 0.030 2 680 65 65 ASN HB3 H 2.579 0.030 2 681 65 65 ASN C C 174.541 0.300 1 682 65 65 ASN CA C 52.147 0.300 1 683 65 65 ASN CB C 40.887 0.300 1 684 65 65 ASN N N 118.933 0.300 1 685 66 66 GLY HA2 H 4.327 0.030 2 686 66 66 GLY HA3 H 4.568 0.030 2 687 66 66 GLY C C 170.991 0.300 1 688 66 66 GLY CA C 46.728 0.300 1 689 67 67 ASN H H 8.903 0.030 1 690 67 67 ASN HA H 4.926 0.030 1 691 67 67 ASN HB2 H 2.546 0.030 2 692 67 67 ASN HB3 H 2.735 0.030 2 693 67 67 ASN HD21 H 6.747 0.030 2 694 67 67 ASN HD22 H 7.425 0.030 2 695 67 67 ASN C C 172.771 0.300 1 696 67 67 ASN CA C 52.766 0.300 1 697 67 67 ASN CB C 42.481 0.300 1 698 67 67 ASN N N 115.626 0.300 1 699 67 67 ASN ND2 N 113.151 0.300 1 700 68 68 ILE H H 8.460 0.030 1 701 68 68 ILE HA H 4.927 0.030 1 702 68 68 ILE HB H 1.644 0.030 1 703 68 68 ILE HG12 H 1.032 0.030 2 704 68 68 ILE HG13 H 1.465 0.030 2 705 68 68 ILE HG2 H 0.801 0.030 1 706 68 68 ILE HD1 H 0.748 0.030 1 707 68 68 ILE C C 176.105 0.300 1 708 68 68 ILE CA C 60.182 0.300 1 709 68 68 ILE CB C 38.873 0.300 1 710 68 68 ILE CG1 C 28.784 0.300 1 711 68 68 ILE CG2 C 17.844 0.300 1 712 68 68 ILE CD1 C 13.966 0.300 1 713 68 68 ILE N N 120.868 0.300 1 714 69 69 VAL H H 8.691 0.030 1 715 69 69 VAL HA H 4.420 0.030 1 716 69 69 VAL HB H 1.863 0.030 1 717 69 69 VAL HG1 H 0.717 0.030 2 718 69 69 VAL HG2 H 0.782 0.030 2 719 69 69 VAL C C 173.517 0.300 1 720 69 69 VAL CA C 59.797 0.300 1 721 69 69 VAL CB C 35.623 0.300 1 722 69 69 VAL CG1 C 20.259 0.300 2 723 69 69 VAL CG2 C 21.003 0.300 2 724 69 69 VAL N N 125.231 0.300 1 725 70 70 LYS H H 8.531 0.030 1 726 70 70 LYS HA H 4.406 0.030 1 727 70 70 LYS HB2 H 1.748 0.030 2 728 70 70 LYS HB3 H 1.631 0.030 2 729 70 70 LYS HG2 H 1.223 0.030 2 730 70 70 LYS HG3 H 1.176 0.030 2 731 70 70 LYS HD2 H 1.618 0.030 2 732 70 70 LYS HD3 H 1.675 0.030 2 733 70 70 LYS HE2 H 2.942 0.030 1 734 70 70 LYS HE3 H 2.942 0.030 1 735 70 70 LYS C C 174.896 0.300 1 736 70 70 LYS CA C 55.114 0.300 1 737 70 70 LYS CB C 32.051 0.300 1 738 70 70 LYS CG C 25.287 0.300 1 739 70 70 LYS CD C 29.193 0.300 1 740 70 70 LYS CE C 42.057 0.300 1 741 70 70 LYS N N 124.085 0.300 1 742 71 71 ASP H H 8.521 0.030 1 743 71 71 ASP HA H 4.971 0.030 1 744 71 71 ASP HB2 H 2.424 0.030 2 745 71 71 ASP HB3 H 2.865 0.030 2 746 71 71 ASP C C 175.665 0.300 1 747 71 71 ASP CA C 51.609 0.300 1 748 71 71 ASP CB C 45.265 0.300 1 749 71 71 ASP N N 130.357 0.300 1 750 72 72 PRO HA H 4.232 0.030 1 751 72 72 PRO HB2 H 1.982 0.030 2 752 72 72 PRO HB3 H 2.340 0.030 2 753 72 72 PRO HG2 H 2.054 0.030 2 754 72 72 PRO HG3 H 2.031 0.030 2 755 72 72 PRO HD2 H 3.718 0.030 2 756 72 72 PRO HD3 H 3.836 0.030 2 757 72 72 PRO C C 176.729 0.300 1 758 72 72 PRO CA C 65.200 0.300 1 759 72 72 PRO CB C 32.225 0.300 1 760 72 72 PRO CG C 27.461 0.300 1 761 72 72 PRO CD C 51.196 0.300 1 762 73 73 GLU H H 8.035 0.030 1 763 73 73 GLU HA H 4.440 0.030 1 764 73 73 GLU HB2 H 1.953 0.030 2 765 73 73 GLU HB3 H 2.001 0.030 2 766 73 73 GLU HG2 H 2.136 0.030 2 767 73 73 GLU HG3 H 2.204 0.030 2 768 73 73 GLU C C 178.197 0.300 1 769 73 73 GLU CA C 57.374 0.300 1 770 73 73 GLU CB C 31.462 0.300 1 771 73 73 GLU CG C 36.551 0.300 1 772 73 73 GLU N N 115.145 0.300 1 773 74 74 MET H H 9.216 0.030 1 774 74 74 MET HA H 4.330 0.030 1 775 74 74 MET HB2 H 2.002 0.030 2 776 74 74 MET HB3 H 1.778 0.030 2 777 74 74 MET HG2 H 2.360 0.030 2 778 74 74 MET HG3 H 2.448 0.030 2 779 74 74 MET HE H 1.907 0.030 1 780 74 74 MET C C 176.281 0.300 1 781 74 74 MET CA C 56.239 0.300 1 782 74 74 MET CB C 34.995 0.300 1 783 74 74 MET CG C 32.821 0.300 1 784 74 74 MET CE C 17.463 0.300 1 785 74 74 MET N N 116.576 0.300 1 786 75 75 GLY H H 8.125 0.030 1 787 75 75 GLY HA2 H 3.733 0.030 2 788 75 75 GLY HA3 H 4.264 0.030 2 789 75 75 GLY C C 173.479 0.300 1 790 75 75 GLY CA C 44.480 0.300 1 791 75 75 GLY N N 109.264 0.300 1 792 76 76 GLU H H 8.693 0.030 1 793 76 76 GLU HA H 4.697 0.030 1 794 76 76 GLU HB2 H 1.879 0.030 2 795 76 76 GLU HB3 H 1.916 0.030 2 796 76 76 GLU HG2 H 2.186 0.030 2 797 76 76 GLU HG3 H 1.976 0.030 2 798 76 76 GLU C C 176.420 0.300 1 799 76 76 GLU CA C 57.587 0.300 1 800 76 76 GLU CB C 30.272 0.300 1 801 76 76 GLU CG C 37.773 0.300 1 802 76 76 GLU N N 122.298 0.300 1 803 77 77 ILE H H 9.143 0.030 1 804 77 77 ILE HA H 4.886 0.030 1 805 77 77 ILE HB H 1.807 0.030 1 806 77 77 ILE HG12 H 1.132 0.030 2 807 77 77 ILE HG13 H 1.365 0.030 2 808 77 77 ILE HG2 H 0.838 0.030 1 809 77 77 ILE HD1 H 0.752 0.030 1 810 77 77 ILE C C 175.603 0.300 1 811 77 77 ILE CA C 59.500 0.300 1 812 77 77 ILE CB C 42.528 0.300 1 813 77 77 ILE CG1 C 26.196 0.300 1 814 77 77 ILE CG2 C 18.428 0.300 1 815 77 77 ILE CD1 C 14.185 0.300 1 816 77 77 ILE N N 121.729 0.300 1 817 78 78 ILE H H 7.774 0.030 1 818 78 78 ILE HA H 4.408 0.030 1 819 78 78 ILE HB H 1.492 0.030 1 820 78 78 ILE HG12 H 0.822 0.030 2 821 78 78 ILE HG13 H 1.737 0.030 2 822 78 78 ILE HG2 H 0.679 0.030 1 823 78 78 ILE HD1 H 0.720 0.030 1 824 78 78 ILE C C 174.717 0.300 1 825 78 78 ILE CA C 61.159 0.300 1 826 78 78 ILE CB C 40.362 0.300 1 827 78 78 ILE CG1 C 28.449 0.300 1 828 78 78 ILE CG2 C 17.925 0.300 1 829 78 78 ILE CD1 C 13.929 0.300 1 830 78 78 ILE N N 119.431 0.300 1 831 79 79 GLN H H 9.026 0.030 1 832 79 79 GLN HA H 5.277 0.030 1 833 79 79 GLN HB2 H 1.913 0.030 1 834 79 79 GLN HB3 H 1.913 0.030 1 835 79 79 GLN HG2 H 1.994 0.030 2 836 79 79 GLN HG3 H 2.111 0.030 2 837 79 79 GLN HE21 H 7.447 0.030 2 838 79 79 GLN HE22 H 6.761 0.030 2 839 79 79 GLN C C 174.601 0.300 1 840 79 79 GLN CA C 54.261 0.300 1 841 79 79 GLN CB C 32.088 0.300 1 842 79 79 GLN CG C 35.225 0.300 1 843 79 79 GLN N N 126.847 0.300 1 844 79 79 GLN NE2 N 111.373 0.300 1 845 80 80 LEU H H 9.581 0.030 1 846 80 80 LEU HA H 5.251 0.030 1 847 80 80 LEU HB2 H 1.464 0.030 2 848 80 80 LEU HB3 H 1.517 0.030 2 849 80 80 LEU HG H 1.412 0.030 1 850 80 80 LEU HD1 H 0.551 0.030 2 851 80 80 LEU HD2 H 0.613 0.030 2 852 80 80 LEU C C 175.681 0.300 1 853 80 80 LEU CA C 52.563 0.300 1 854 80 80 LEU CB C 45.595 0.300 1 855 80 80 LEU CG C 26.610 0.300 1 856 80 80 LEU CD1 C 23.621 0.300 2 857 80 80 LEU CD2 C 26.824 0.300 2 858 80 80 LEU N N 123.828 0.300 1 859 81 81 GLN H H 8.368 0.030 1 860 81 81 GLN HA H 4.310 0.030 1 861 81 81 GLN HB2 H 2.026 0.030 2 862 81 81 GLN HB3 H 2.173 0.030 2 863 81 81 GLN HG2 H 2.362 0.030 2 864 81 81 GLN HG3 H 2.428 0.030 2 865 81 81 GLN C C 177.144 0.300 1 866 81 81 GLN CA C 57.133 0.300 1 867 81 81 GLN CB C 29.489 0.300 1 868 81 81 GLN CG C 33.999 0.300 1 869 81 81 GLN N N 120.233 0.300 1 870 82 82 GLY H H 8.357 0.030 1 871 82 82 GLY HA2 H 3.643 0.030 2 872 82 82 GLY HA3 H 4.109 0.030 2 873 82 82 GLY C C 171.893 0.300 1 874 82 82 GLY CA C 44.606 0.300 1 875 82 82 GLY N N 112.053 0.300 1 876 83 83 ASP H H 8.529 0.030 1 877 83 83 ASP HA H 4.467 0.030 1 878 83 83 ASP HB2 H 2.352 0.030 2 879 83 83 ASP HB3 H 3.019 0.030 2 880 83 83 ASP C C 175.565 0.300 1 881 83 83 ASP CA C 52.230 0.300 1 882 83 83 ASP CB C 39.675 0.300 1 883 83 83 ASP N N 117.347 0.300 1 884 84 84 GLN H H 8.638 0.030 1 885 84 84 GLN HA H 5.057 0.030 1 886 84 84 GLN HB2 H 2.511 0.030 2 887 84 84 GLN HB3 H 1.117 0.030 2 888 84 84 GLN HG2 H 2.320 0.030 2 889 84 84 GLN HG3 H 2.126 0.030 2 890 84 84 GLN HE21 H 6.720 0.030 2 891 84 84 GLN HE22 H 7.731 0.030 2 892 84 84 GLN C C 177.274 0.300 1 893 84 84 GLN CA C 51.549 0.300 1 894 84 84 GLN CB C 28.148 0.300 1 895 84 84 GLN CG C 31.172 0.300 1 896 84 84 GLN N N 121.393 0.300 1 897 84 84 GLN NE2 N 110.478 0.300 1 898 85 85 ARG H H 7.791 0.030 1 899 85 85 ARG HA H 3.518 0.030 1 900 85 85 ARG HB2 H 1.553 0.030 2 901 85 85 ARG HB3 H 2.064 0.030 2 902 85 85 ARG HG2 H 1.503 0.030 2 903 85 85 ARG HG3 H 1.789 0.030 2 904 85 85 ARG HD2 H 2.879 0.030 2 905 85 85 ARG HD3 H 3.160 0.030 2 906 85 85 ARG C C 176.989 0.300 1 907 85 85 ARG CA C 60.771 0.300 1 908 85 85 ARG CB C 31.358 0.300 1 909 85 85 ARG CG C 26.637 0.300 1 910 85 85 ARG CD C 43.422 0.300 1 911 85 85 ARG N N 118.591 0.300 1 912 86 86 ALA H H 8.479 0.030 1 913 86 86 ALA HA H 3.958 0.030 1 914 86 86 ALA HB H 1.365 0.030 1 915 86 86 ALA C C 180.558 0.300 1 916 86 86 ALA CA C 55.111 0.300 1 917 86 86 ALA CB C 17.726 0.300 1 918 86 86 ALA N N 119.242 0.300 1 919 87 87 LYS H H 7.641 0.030 1 920 87 87 LYS HA H 3.976 0.030 1 921 87 87 LYS HB2 H 1.391 0.030 2 922 87 87 LYS HB3 H 1.587 0.030 2 923 87 87 LYS HG2 H 1.311 0.030 2 924 87 87 LYS HG3 H 1.514 0.030 2 925 87 87 LYS HD2 H 1.691 0.030 1 926 87 87 LYS HD3 H 1.691 0.030 1 927 87 87 LYS HE2 H 3.001 0.030 1 928 87 87 LYS HE3 H 3.001 0.030 1 929 87 87 LYS C C 179.008 0.300 1 930 87 87 LYS CA C 59.134 0.300 1 931 87 87 LYS CB C 32.576 0.300 1 932 87 87 LYS CG C 25.006 0.300 1 933 87 87 LYS CD C 29.441 0.300 1 934 87 87 LYS CE C 42.222 0.300 1 935 87 87 LYS N N 118.982 0.300 1 936 88 88 VAL H H 8.505 0.030 1 937 88 88 VAL HA H 3.496 0.030 1 938 88 88 VAL HB H 1.987 0.030 1 939 88 88 VAL HG1 H 0.868 0.030 2 940 88 88 VAL HG2 H 0.861 0.030 2 941 88 88 VAL C C 177.206 0.300 1 942 88 88 VAL CA C 66.472 0.300 1 943 88 88 VAL CB C 31.308 0.300 1 944 88 88 VAL CG1 C 22.380 0.300 2 945 88 88 VAL CG2 C 24.011 0.300 2 946 88 88 VAL N N 117.820 0.300 1 947 89 89 CYS H H 7.947 0.030 1 948 89 89 CYS HA H 3.746 0.030 1 949 89 89 CYS HB2 H 3.116 0.030 2 950 89 89 CYS HB3 H 2.631 0.030 2 951 89 89 CYS C C 175.065 0.300 1 952 89 89 CYS CA C 63.686 0.300 1 953 89 89 CYS CB C 26.394 0.300 1 954 89 89 CYS N N 120.185 0.300 1 955 90 90 GLU H H 7.858 0.030 1 956 90 90 GLU HA H 4.010 0.030 1 957 90 90 GLU HB2 H 2.122 0.030 1 958 90 90 GLU HB3 H 2.122 0.030 1 959 90 90 GLU HG2 H 2.342 0.030 1 960 90 90 GLU HG3 H 2.342 0.030 1 961 90 90 GLU C C 179.021 0.300 1 962 90 90 GLU CA C 59.359 0.300 1 963 90 90 GLU CB C 29.114 0.300 1 964 90 90 GLU CG C 35.852 0.300 1 965 90 90 GLU N N 117.203 0.300 1 966 91 91 PHE H H 8.106 0.030 1 967 91 91 PHE HA H 4.033 0.030 1 968 91 91 PHE HB2 H 2.674 0.030 2 969 91 91 PHE HB3 H 3.028 0.030 2 970 91 91 PHE HD1 H 6.833 0.030 1 971 91 91 PHE HD2 H 6.833 0.030 1 972 91 91 PHE HE1 H 7.074 0.030 1 973 91 91 PHE HE2 H 7.074 0.030 1 974 91 91 PHE HZ H 7.079 0.030 1 975 91 91 PHE C C 177.075 0.300 1 976 91 91 PHE CA C 61.381 0.300 1 977 91 91 PHE CB C 38.877 0.300 1 978 91 91 PHE CD1 C 131.344 0.300 1 979 91 91 PHE CD2 C 131.344 0.300 1 980 91 91 PHE CE1 C 131.205 0.300 1 981 91 91 PHE CE2 C 131.205 0.300 1 982 91 91 PHE CZ C 129.204 0.300 1 983 91 91 PHE N N 120.887 0.300 1 984 92 92 MET H H 8.451 0.030 1 985 92 92 MET HA H 3.584 0.030 1 986 92 92 MET HB2 H 2.320 0.030 2 987 92 92 MET HB3 H 1.740 0.030 2 988 92 92 MET HG2 H 2.503 0.030 2 989 92 92 MET HG3 H 2.916 0.030 2 990 92 92 MET HE H 1.797 0.030 1 991 92 92 MET C C 177.429 0.300 1 992 92 92 MET CA C 59.070 0.300 1 993 92 92 MET CB C 32.268 0.300 1 994 92 92 MET CG C 34.503 0.300 1 995 92 92 MET CE C 18.664 0.300 1 996 92 92 MET N N 118.724 0.300 1 997 93 93 ILE H H 7.821 0.030 1 998 93 93 ILE HA H 4.094 0.030 1 999 93 93 ILE HB H 1.730 0.030 1 1000 93 93 ILE HG12 H 1.542 0.030 2 1001 93 93 ILE HG13 H 0.921 0.030 2 1002 93 93 ILE HG2 H 0.837 0.030 1 1003 93 93 ILE HD1 H 0.715 0.030 1 1004 93 93 ILE C C 178.636 0.300 1 1005 93 93 ILE CA C 63.548 0.300 1 1006 93 93 ILE CB C 39.062 0.300 1 1007 93 93 ILE CG1 C 27.825 0.300 1 1008 93 93 ILE CG2 C 16.758 0.300 1 1009 93 93 ILE CD1 C 14.432 0.300 1 1010 93 93 ILE N N 117.504 0.300 1 1011 94 94 SER H H 8.479 0.030 1 1012 94 94 SER HA H 4.215 0.030 1 1013 94 94 SER HB2 H 3.939 0.030 1 1014 94 94 SER HB3 H 3.939 0.030 1 1015 94 94 SER C C 175.981 0.300 1 1016 94 94 SER CA C 61.102 0.300 1 1017 94 94 SER CB C 63.735 0.300 1 1018 94 94 SER N N 114.151 0.300 1 1019 95 95 GLN H H 8.183 0.030 1 1020 95 95 GLN HA H 4.354 0.030 1 1021 95 95 GLN HB2 H 1.657 0.030 2 1022 95 95 GLN HB3 H 1.215 0.030 2 1023 95 95 GLN HG2 H 2.174 0.030 1 1024 95 95 GLN HG3 H 2.174 0.030 1 1025 95 95 GLN HE21 H 7.553 0.030 2 1026 95 95 GLN HE22 H 6.971 0.030 2 1027 95 95 GLN C C 177.383 0.300 1 1028 95 95 GLN CA C 56.737 0.300 1 1029 95 95 GLN CB C 28.143 0.300 1 1030 95 95 GLN CG C 34.089 0.300 1 1031 95 95 GLN N N 117.720 0.300 1 1032 95 95 GLN NE2 N 112.621 0.300 1 1033 96 96 LEU H H 6.668 0.030 1 1034 96 96 LEU HA H 4.399 0.030 1 1035 96 96 LEU HB2 H 1.353 0.030 2 1036 96 96 LEU HB3 H 1.887 0.030 2 1037 96 96 LEU HG H 1.108 0.030 1 1038 96 96 LEU HD1 H 0.554 0.030 2 1039 96 96 LEU HD2 H 0.531 0.030 2 1040 96 96 LEU C C 177.452 0.300 1 1041 96 96 LEU CA C 54.616 0.300 1 1042 96 96 LEU CB C 41.368 0.300 1 1043 96 96 LEU CG C 26.535 0.300 1 1044 96 96 LEU CD1 C 22.135 0.300 2 1045 96 96 LEU CD2 C 25.132 0.300 2 1046 96 96 LEU N N 114.375 0.300 1 1047 97 97 GLY H H 6.911 0.030 1 1048 97 97 GLY HA2 H 3.898 0.030 2 1049 97 97 GLY HA3 H 3.852 0.030 2 1050 97 97 GLY C C 175.133 0.300 1 1051 97 97 GLY CA C 46.460 0.300 1 1052 97 97 GLY N N 106.172 0.300 1 1053 98 98 LEU H H 7.538 0.030 1 1054 98 98 LEU HA H 4.289 0.030 1 1055 98 98 LEU HB2 H 1.200 0.030 2 1056 98 98 LEU HB3 H 1.328 0.030 2 1057 98 98 LEU HG H 1.451 0.030 1 1058 98 98 LEU HD1 H 0.773 0.030 2 1059 98 98 LEU HD2 H 0.665 0.030 2 1060 98 98 LEU C C 175.572 0.300 1 1061 98 98 LEU CA C 54.401 0.300 1 1062 98 98 LEU CB C 41.701 0.300 1 1063 98 98 LEU CG C 27.147 0.300 1 1064 98 98 LEU CD1 C 22.681 0.300 2 1065 98 98 LEU CD2 C 26.200 0.300 2 1066 98 98 LEU N N 119.974 0.300 1 1067 99 99 GLN H H 8.257 0.030 1 1068 99 99 GLN HA H 4.396 0.030 1 1069 99 99 GLN HB2 H 1.870 0.030 2 1070 99 99 GLN HB3 H 2.170 0.030 2 1071 99 99 GLN HG2 H 2.403 0.030 2 1072 99 99 GLN HG3 H 2.371 0.030 2 1073 99 99 GLN HE21 H 7.501 0.030 2 1074 99 99 GLN HE22 H 6.842 0.030 2 1075 99 99 GLN C C 177.221 0.300 1 1076 99 99 GLN CA C 54.706 0.300 1 1077 99 99 GLN CB C 30.273 0.300 1 1078 99 99 GLN CG C 34.107 0.300 1 1079 99 99 GLN N N 116.511 0.300 1 1080 99 99 GLN NE2 N 112.931 0.300 1 1081 100 100 LYS H H 8.783 0.030 1 1082 100 100 LYS HA H 3.699 0.030 1 1083 100 100 LYS HB2 H 1.790 0.030 1 1084 100 100 LYS HB3 H 1.790 0.030 1 1085 100 100 LYS HG2 H 1.321 0.030 2 1086 100 100 LYS HG3 H 1.434 0.030 2 1087 100 100 LYS HD2 H 1.606 0.030 2 1088 100 100 LYS HD3 H 1.658 0.030 2 1089 100 100 LYS HE2 H 2.921 0.030 1 1090 100 100 LYS HE3 H 2.921 0.030 1 1091 100 100 LYS C C 178.323 0.300 1 1092 100 100 LYS CA C 59.655 0.300 1 1093 100 100 LYS CB C 31.980 0.300 1 1094 100 100 LYS CG C 24.995 0.300 1 1095 100 100 LYS CD C 29.111 0.300 1 1096 100 100 LYS CE C 42.222 0.300 1 1097 100 100 LYS N N 124.153 0.300 1 1098 101 101 LYS H H 8.192 0.030 1 1099 101 101 LYS HA H 4.169 0.030 1 1100 101 101 LYS HB2 H 1.745 0.030 2 1101 101 101 LYS HB3 H 1.876 0.030 2 1102 101 101 LYS HG2 H 1.201 0.030 2 1103 101 101 LYS HG3 H 1.294 0.030 2 1104 101 101 LYS HD2 H 1.621 0.030 1 1105 101 101 LYS HD3 H 1.621 0.030 1 1106 101 101 LYS HE2 H 2.928 0.030 1 1107 101 101 LYS HE3 H 2.928 0.030 1 1108 101 101 LYS C C 176.335 0.300 1 1109 101 101 LYS CA C 57.857 0.300 1 1110 101 101 LYS CB C 31.502 0.300 1 1111 101 101 LYS CG C 23.751 0.300 1 1112 101 101 LYS CD C 29.441 0.300 1 1113 101 101 LYS CE C 41.975 0.300 1 1114 101 101 LYS N N 114.187 0.300 1 1115 102 102 ASN H H 7.742 0.030 1 1116 102 102 ASN HA H 4.916 0.030 1 1117 102 102 ASN HB2 H 2.629 0.030 2 1118 102 102 ASN HB3 H 3.222 0.030 2 1119 102 102 ASN HD21 H 6.926 0.030 2 1120 102 102 ASN HD22 H 7.526 0.030 2 1121 102 102 ASN C C 173.079 0.300 1 1122 102 102 ASN CA C 53.731 0.300 1 1123 102 102 ASN CB C 39.960 0.300 1 1124 102 102 ASN N N 116.256 0.300 1 1125 102 102 ASN ND2 N 110.919 0.300 1 1126 103 103 ILE H H 7.695 0.030 1 1127 103 103 ILE HA H 4.512 0.030 1 1128 103 103 ILE HB H 1.769 0.030 1 1129 103 103 ILE HG12 H 1.548 0.030 2 1130 103 103 ILE HG13 H 0.784 0.030 2 1131 103 103 ILE HG2 H 0.722 0.030 1 1132 103 103 ILE HD1 H 0.658 0.030 1 1133 103 103 ILE C C 174.424 0.300 1 1134 103 103 ILE CA C 60.471 0.300 1 1135 103 103 ILE CB C 39.867 0.300 1 1136 103 103 ILE CG1 C 27.069 0.300 1 1137 103 103 ILE CG2 C 18.627 0.300 1 1138 103 103 ILE CD1 C 14.893 0.300 1 1139 103 103 ILE N N 120.754 0.300 1 1140 104 104 LYS H H 9.103 0.030 1 1141 104 104 LYS HA H 4.396 0.030 1 1142 104 104 LYS HB2 H 1.301 0.030 2 1143 104 104 LYS HB3 H 1.414 0.030 2 1144 104 104 LYS HG2 H 0.691 0.030 2 1145 104 104 LYS HG3 H 0.783 0.030 2 1146 104 104 LYS HD2 H 1.162 0.030 2 1147 104 104 LYS HD3 H 1.270 0.030 2 1148 104 104 LYS HE2 H 2.143 0.030 1 1149 104 104 LYS HE3 H 2.143 0.030 1 1150 104 104 LYS C C 174.324 0.300 1 1151 104 104 LYS CA C 53.937 0.300 1 1152 104 104 LYS CB C 33.411 0.300 1 1153 104 104 LYS CG C 24.392 0.300 1 1154 104 104 LYS CD C 28.567 0.300 1 1155 104 104 LYS CE C 41.727 0.300 1 1156 104 104 LYS N N 128.288 0.300 1 1157 105 105 ILE H H 8.400 0.030 1 1158 105 105 ILE HA H 4.594 0.030 1 1159 105 105 ILE HB H 1.682 0.030 1 1160 105 105 ILE HG12 H 1.494 0.030 1 1161 105 105 ILE HG13 H 1.494 0.030 1 1162 105 105 ILE HG2 H 0.725 0.030 1 1163 105 105 ILE HD1 H 0.774 0.030 1 1164 105 105 ILE C C 175.850 0.300 1 1165 105 105 ILE CA C 60.471 0.300 1 1166 105 105 ILE CB C 38.178 0.300 1 1167 105 105 ILE CG1 C 28.013 0.300 1 1168 105 105 ILE CG2 C 19.060 0.300 1 1169 105 105 ILE CD1 C 13.669 0.300 1 1170 105 105 ILE N N 124.587 0.300 1 1171 106 106 HIS H H 8.884 0.030 1 1172 106 106 HIS HA H 4.655 0.030 1 1173 106 106 HIS HB2 H 3.100 0.030 2 1174 106 106 HIS HB3 H 3.243 0.030 2 1175 106 106 HIS HD2 H 6.868 0.030 1 1176 106 106 HIS HE1 H 7.848 0.030 1 1177 106 106 HIS C C 175.834 0.300 1 1178 106 106 HIS CA C 55.938 0.300 1 1179 106 106 HIS CB C 33.274 0.300 1 1180 106 106 HIS CD2 C 119.291 0.300 1 1181 106 106 HIS CE1 C 137.508 0.300 1 1182 106 106 HIS N N 128.132 0.300 1 1183 107 107 GLY HA2 H 3.839 0.030 2 1184 107 107 GLY HA3 H 4.024 0.030 2 1185 107 107 GLY C C 173.259 0.300 1 1186 107 107 GLY CA C 44.666 0.300 1 1187 108 108 PHE H H 7.862 0.030 1 1188 108 108 PHE HA H 4.462 0.030 1 1189 108 108 PHE HB2 H 2.906 0.030 2 1190 108 108 PHE HB3 H 3.178 0.030 2 1191 108 108 PHE HD1 H 7.231 0.030 1 1192 108 108 PHE HD2 H 7.231 0.030 1 1193 108 108 PHE HZ H 7.205 0.030 1 1194 108 108 PHE C C 180.945 0.300 1 1195 108 108 PHE CA C 59.400 0.300 1 1196 108 108 PHE CB C 40.036 0.300 1 1197 108 108 PHE CD1 C 131.485 0.300 1 1198 108 108 PHE CD2 C 131.485 0.300 1 1199 108 108 PHE CZ C 129.350 0.300 1 1200 108 108 PHE N N 125.028 0.300 1 stop_ save_