data_36034 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of eIF3 36-163 ; _BMRB_accession_number 36034 _BMRB_flat_file_name bmr36034.str _Entry_type original _Submission_date 2016-11-21 _Accession_date 2016-02-14 _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 T. . . 2 Obayashi E. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 527 "13C chemical shifts" 429 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-05-30 original BMRB . stop_ _Original_release_date 2017-02-16 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of eIF3 36-163 ; _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 T. . . 2 Obayashi E. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Eukaryotic translation initiation factor 3 subunit C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14598.317 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; SESELDQESDDSFFNESESE SEADVDSDDSDAKPYGPDWF KKSEFRKQGGGSNKFLKSSN YDSSDEESDEEDGKKVVKSA KEKLLDEMQDVYNKISQAEN SDDWLTISNEFDLISRLLVR AQQQNWGT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 36 SER 2 37 GLU 3 38 SER 4 39 GLU 5 40 LEU 6 41 ASP 7 42 GLN 8 43 GLU 9 44 SER 10 45 ASP 11 46 ASP 12 47 SER 13 48 PHE 14 49 PHE 15 50 ASN 16 51 GLU 17 52 SER 18 53 GLU 19 54 SER 20 55 GLU 21 56 SER 22 57 GLU 23 58 ALA 24 59 ASP 25 60 VAL 26 61 ASP 27 62 SER 28 63 ASP 29 64 ASP 30 65 SER 31 66 ASP 32 67 ALA 33 68 LYS 34 69 PRO 35 70 TYR 36 71 GLY 37 72 PRO 38 73 ASP 39 74 TRP 40 75 PHE 41 76 LYS 42 77 LYS 43 78 SER 44 79 GLU 45 80 PHE 46 81 ARG 47 82 LYS 48 83 GLN 49 84 GLY 50 85 GLY 51 86 GLY 52 87 SER 53 88 ASN 54 89 LYS 55 90 PHE 56 91 LEU 57 92 LYS 58 93 SER 59 94 SER 60 95 ASN 61 96 TYR 62 97 ASP 63 98 SER 64 99 SER 65 100 ASP 66 101 GLU 67 102 GLU 68 103 SER 69 104 ASP 70 105 GLU 71 106 GLU 72 107 ASP 73 108 GLY 74 109 LYS 75 110 LYS 76 111 VAL 77 112 VAL 78 113 LYS 79 114 SER 80 115 ALA 81 116 LYS 82 117 GLU 83 118 LYS 84 119 LEU 85 120 LEU 86 121 ASP 87 122 GLU 88 123 MET 89 124 GLN 90 125 ASP 91 126 VAL 92 127 TYR 93 128 ASN 94 129 LYS 95 130 ILE 96 131 SER 97 132 GLN 98 133 ALA 99 134 GLU 100 135 ASN 101 136 SER 102 137 ASP 103 138 ASP 104 139 TRP 105 140 LEU 106 141 THR 107 142 ILE 108 143 SER 109 144 ASN 110 145 GLU 111 146 PHE 112 147 ASP 113 148 LEU 114 149 ILE 115 150 SER 116 151 ARG 117 152 LEU 118 153 LEU 119 154 VAL 120 155 ARG 121 156 ALA 122 157 GLN 123 158 GLN 124 159 GLN 125 160 ASN 126 161 TRP 127 162 GLY 128 163 THR 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 _Strain _Gene_mnemonic $entity_1 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces 'Saccharomyces cerevisiae' 'ATCC 204508 / S288c' 'NIP1, YMR309C, YM9924.01C, YM9952.11C' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.4 mM [U-100% 13C; U-100% 15N] eIF3c 36-163, 20 mM sodium phosphate, 150 mM sodium chloride, 1 mM DTT, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-100% 13C; U-100% 15N]' DTT 1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_software_2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Kujira _Version 0.98 loop_ _Vendor _Address _Electronic_address 'Naohiro Kobayashi' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_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 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 protons ppm 0 internal indirect . . . 0.101329118 DSS H 1 protons ppm 0 internal direct . . . 1.000 DSS N 15 protons ppm 0 internal indirect . . . 0.251449530 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 $software_3 $software_4 $software_5 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D HBHA(CO)NH' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D HCCH-COSY' '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 $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 38 3 SER C C 174.602 0.300 1 2 38 3 SER CA C 58.435 0.300 1 3 38 3 SER CB C 63.889 0.300 1 4 39 4 GLU H H 8.358 0.030 1 5 39 4 GLU HA H 4.274 0.030 1 6 39 4 GLU HB2 H 1.912 0.030 2 7 39 4 GLU HB3 H 2.038 0.030 2 8 39 4 GLU HG2 H 2.243 0.030 2 9 39 4 GLU HG3 H 2.206 0.030 2 10 39 4 GLU C C 176.479 0.300 1 11 39 4 GLU CA C 56.717 0.300 1 12 39 4 GLU CB C 30.361 0.300 1 13 39 4 GLU CG C 36.367 0.300 1 14 39 4 GLU N N 122.805 0.300 1 15 40 5 LEU H H 8.096 0.030 1 16 40 5 LEU HA H 4.301 0.030 1 17 40 5 LEU HB2 H 1.544 0.030 2 18 40 5 LEU HB3 H 1.598 0.030 2 19 40 5 LEU HG H 1.593 0.030 1 20 40 5 LEU HD1 H 0.836 0.030 2 21 40 5 LEU HD2 H 0.893 0.030 2 22 40 5 LEU C C 177.133 0.300 1 23 40 5 LEU CA C 55.243 0.300 1 24 40 5 LEU CB C 42.352 0.300 1 25 40 5 LEU CG C 26.884 0.300 1 26 40 5 LEU CD1 C 23.372 0.300 2 27 40 5 LEU CD2 C 24.942 0.300 2 28 40 5 LEU N N 122.041 0.300 1 29 41 6 ASP H H 8.253 0.030 1 30 41 6 ASP HB2 H 2.645 0.030 2 31 41 6 ASP C C 176.074 0.300 1 32 41 6 ASP CA C 55.251 0.300 1 33 41 6 ASP CB C 42.717 0.300 1 34 41 6 ASP N N 121.097 0.300 1 35 42 7 GLN C C 175.983 0.300 1 36 42 7 GLN CA C 55.873 0.300 1 37 42 7 GLN CB C 29.673 0.300 1 38 43 8 GLU H H 8.435 0.030 1 39 43 8 GLU C C 176.510 0.300 1 40 43 8 GLU CA C 56.570 0.300 1 41 43 8 GLU CB C 30.100 0.300 1 42 43 8 GLU N N 121.951 0.300 1 43 48 13 PHE HB2 H 3.221 0.030 2 44 48 13 PHE C C 175.293 0.300 1 45 48 13 PHE CA C 58.021 0.300 1 46 48 13 PHE CB C 39.343 0.300 1 47 49 14 PHE H H 7.997 0.030 1 48 49 14 PHE HA H 4.512 0.030 1 49 49 14 PHE HB2 H 2.958 0.030 2 50 49 14 PHE HB3 H 3.058 0.030 2 51 49 14 PHE HD1 H 7.202 0.030 1 52 49 14 PHE HD2 H 7.202 0.030 1 53 49 14 PHE HE1 H 7.325 0.030 1 54 49 14 PHE HE2 H 7.325 0.030 1 55 49 14 PHE C C 174.892 0.300 1 56 49 14 PHE CA C 57.708 0.300 1 57 49 14 PHE CB C 39.670 0.300 1 58 49 14 PHE CD1 C 131.800 0.300 1 59 49 14 PHE CD2 C 131.800 0.300 1 60 49 14 PHE CE1 C 131.447 0.300 1 61 49 14 PHE CE2 C 131.447 0.300 1 62 49 14 PHE N N 121.492 0.300 1 63 50 15 ASN H H 8.193 0.030 1 64 50 15 ASN HA H 4.604 0.030 1 65 50 15 ASN HB2 H 2.625 0.030 2 66 50 15 ASN HB3 H 2.751 0.030 2 67 50 15 ASN C C 174.827 0.300 1 68 50 15 ASN CA C 53.043 0.300 1 69 50 15 ASN CB C 39.274 0.300 1 70 50 15 ASN N N 121.274 0.300 1 71 51 16 GLU H H 8.326 0.030 1 72 51 16 GLU C C 176.497 0.300 1 73 51 16 GLU CA C 56.983 0.300 1 74 51 16 GLU CB C 30.183 0.300 1 75 51 16 GLU N N 122.233 0.300 1 76 57 22 GLU HA H 4.274 0.030 1 77 57 22 GLU HB2 H 1.939 0.030 2 78 57 22 GLU HG2 H 2.243 0.030 2 79 57 22 GLU C C 176.087 0.300 1 80 57 22 GLU CA C 56.451 0.300 1 81 57 22 GLU CB C 30.252 0.300 1 82 57 22 GLU CG C 36.285 0.300 1 83 58 23 ALA H H 8.205 0.030 1 84 58 23 ALA HA H 4.261 0.030 1 85 58 23 ALA HB H 1.339 0.030 1 86 58 23 ALA C C 177.327 0.300 1 87 58 23 ALA CA C 52.466 0.300 1 88 58 23 ALA CB C 19.520 0.300 1 89 58 23 ALA N N 124.696 0.300 1 90 59 24 ASP H H 8.301 0.030 1 91 59 24 ASP HA H 4.591 0.030 1 92 59 24 ASP HB2 H 2.575 0.030 2 93 59 24 ASP HB3 H 2.688 0.030 2 94 59 24 ASP C C 176.241 0.300 1 95 59 24 ASP CA C 54.282 0.300 1 96 59 24 ASP CB C 41.156 0.300 1 97 59 24 ASP N N 120.116 0.300 1 98 60 25 VAL H H 7.999 0.030 1 99 60 25 VAL HA H 4.116 0.030 1 100 60 25 VAL HB H 2.078 0.030 1 101 60 25 VAL HG1 H 0.889 0.030 2 102 60 25 VAL C C 175.846 0.300 1 103 60 25 VAL CA C 62.083 0.300 1 104 60 25 VAL CB C 32.962 0.300 1 105 60 25 VAL CG1 C 20.848 0.300 2 106 60 25 VAL N N 119.559 0.300 1 107 61 26 ASP H H 8.390 0.030 1 108 61 26 ASP HA H 4.626 0.030 1 109 61 26 ASP HB2 H 2.575 0.030 2 110 61 26 ASP HB3 H 2.702 0.030 2 111 61 26 ASP C C 176.166 0.300 1 112 61 26 ASP CA C 54.406 0.300 1 113 61 26 ASP CB C 41.362 0.300 1 114 61 26 ASP N N 123.878 0.300 1 115 62 27 SER H H 8.178 0.030 1 116 62 27 SER C C 174.243 0.300 1 117 62 27 SER CA C 58.368 0.300 1 118 62 27 SER CB C 64.023 0.300 1 119 62 27 SER N N 116.366 0.300 1 120 63 28 ASP H H 8.369 0.030 1 121 63 28 ASP HB2 H 2.684 0.030 2 122 63 28 ASP C C 176.034 0.300 1 123 63 28 ASP CA C 54.426 0.300 1 124 63 28 ASP CB C 41.315 0.300 1 125 63 28 ASP N N 122.881 0.300 1 126 66 31 ASP HA H 4.591 0.030 1 127 66 31 ASP HB2 H 2.638 0.030 2 128 66 31 ASP C C 175.815 0.300 1 129 66 31 ASP CA C 54.468 0.300 1 130 66 31 ASP CB C 41.079 0.300 1 131 67 32 ALA H H 7.937 0.030 1 132 67 32 ALA HA H 4.247 0.030 1 133 67 32 ALA HB H 1.325 0.030 1 134 67 32 ALA C C 177.317 0.300 1 135 67 32 ALA CA C 52.383 0.300 1 136 67 32 ALA CB C 19.197 0.300 1 137 67 32 ALA N N 123.448 0.300 1 138 68 33 LYS H H 8.064 0.030 1 139 68 33 LYS HA H 4.458 0.030 1 140 68 33 LYS HB2 H 1.613 0.030 1 141 68 33 LYS HB3 H 1.613 0.030 1 142 68 33 LYS HG2 H 1.353 0.030 2 143 68 33 LYS HG3 H 1.396 0.030 2 144 68 33 LYS HD2 H 1.633 0.030 1 145 68 33 LYS HD3 H 1.633 0.030 1 146 68 33 LYS HE2 H 2.940 0.030 1 147 68 33 LYS HE3 H 2.940 0.030 1 148 68 33 LYS C C 174.501 0.300 1 149 68 33 LYS CA C 54.057 0.300 1 150 68 33 LYS CB C 32.409 0.300 1 151 68 33 LYS CG C 24.414 0.300 1 152 68 33 LYS CD C 29.115 0.300 1 153 68 33 LYS CE C 42.144 0.300 1 154 68 33 LYS N N 121.417 0.300 1 155 69 34 PRO HA H 4.052 0.030 1 156 69 34 PRO HB2 H 1.544 0.030 2 157 69 34 PRO HB3 H 1.899 0.030 2 158 69 34 PRO HG2 H 1.779 0.030 2 159 69 34 PRO HG3 H 1.750 0.030 2 160 69 34 PRO HD2 H 3.430 0.030 2 161 69 34 PRO HD3 H 3.608 0.030 2 162 69 34 PRO C C 176.287 0.300 1 163 69 34 PRO CA C 63.063 0.300 1 164 69 34 PRO CB C 31.515 0.300 1 165 69 34 PRO CG C 27.132 0.300 1 166 69 34 PRO CD C 50.386 0.300 1 167 70 35 TYR H H 7.649 0.030 1 168 70 35 TYR HA H 4.328 0.030 1 169 70 35 TYR HB2 H 2.877 0.030 2 170 70 35 TYR HB3 H 2.789 0.030 2 171 70 35 TYR HD1 H 6.762 0.030 1 172 70 35 TYR HD2 H 6.762 0.030 1 173 70 35 TYR HE1 H 6.650 0.030 1 174 70 35 TYR HE2 H 6.650 0.030 1 175 70 35 TYR C C 175.814 0.300 1 176 70 35 TYR CA C 57.502 0.300 1 177 70 35 TYR CB C 38.514 0.300 1 178 70 35 TYR CD1 C 132.883 0.300 1 179 70 35 TYR CD2 C 132.883 0.300 1 180 70 35 TYR CE1 C 117.957 0.300 1 181 70 35 TYR CE2 C 117.957 0.300 1 182 70 35 TYR N N 118.737 0.300 1 183 71 36 GLY H H 7.969 0.030 1 184 71 36 GLY HA2 H 4.047 0.030 2 185 71 36 GLY HA3 H 4.086 0.030 2 186 71 36 GLY C C 172.082 0.300 1 187 71 36 GLY CA C 44.696 0.300 1 188 71 36 GLY N N 109.929 0.300 1 189 72 37 PRO HA H 4.354 0.030 1 190 72 37 PRO HB2 H 1.746 0.030 2 191 72 37 PRO HB3 H 2.203 0.030 2 192 72 37 PRO HG2 H 1.904 0.030 2 193 72 37 PRO HG3 H 1.959 0.030 2 194 72 37 PRO HD2 H 3.562 0.030 1 195 72 37 PRO HD3 H 3.562 0.030 1 196 72 37 PRO C C 177.561 0.300 1 197 72 37 PRO CA C 64.055 0.300 1 198 72 37 PRO CB C 32.020 0.300 1 199 72 37 PRO CG C 27.268 0.300 1 200 72 37 PRO CD C 49.726 0.300 1 201 73 38 ASP H H 8.472 0.030 1 202 73 38 ASP HA H 4.497 0.030 1 203 73 38 ASP HB2 H 2.586 0.030 2 204 73 38 ASP HB3 H 2.634 0.030 2 205 73 38 ASP C C 176.734 0.300 1 206 73 38 ASP CA C 54.942 0.300 1 207 73 38 ASP CB C 40.537 0.300 1 208 73 38 ASP N N 118.230 0.300 1 209 74 39 TRP H H 7.764 0.030 1 210 74 39 TRP HA H 4.261 0.030 1 211 74 39 TRP HB2 H 3.105 0.030 2 212 74 39 TRP HB3 H 3.185 0.030 2 213 74 39 TRP HD1 H 6.873 0.030 1 214 74 39 TRP HE1 H 10.011 0.030 1 215 74 39 TRP HE3 H 7.238 0.030 1 216 74 39 TRP HZ2 H 7.356 0.030 1 217 74 39 TRP HZ3 H 6.972 0.030 1 218 74 39 TRP HH2 H 7.113 0.030 1 219 74 39 TRP C C 176.697 0.300 1 220 74 39 TRP CA C 58.904 0.300 1 221 74 39 TRP CB C 29.400 0.300 1 222 74 39 TRP CD1 C 127.220 0.300 1 223 74 39 TRP CE3 C 120.567 0.300 1 224 74 39 TRP CZ2 C 114.530 0.300 1 225 74 39 TRP CZ3 C 121.969 0.300 1 226 74 39 TRP CH2 C 124.453 0.300 1 227 74 39 TRP N N 120.647 0.300 1 228 74 39 TRP NE1 N 129.679 0.300 1 229 75 40 PHE H H 7.562 0.030 1 230 75 40 PHE HA H 4.201 0.030 1 231 75 40 PHE HB2 H 2.783 0.030 2 232 75 40 PHE HB3 H 2.881 0.030 2 233 75 40 PHE HD1 H 7.075 0.030 1 234 75 40 PHE HD2 H 7.075 0.030 1 235 75 40 PHE HE1 H 7.271 0.030 1 236 75 40 PHE HE2 H 7.271 0.030 1 237 75 40 PHE C C 175.902 0.300 1 238 75 40 PHE CA C 58.660 0.300 1 239 75 40 PHE CB C 38.927 0.300 1 240 75 40 PHE CD1 C 131.573 0.300 1 241 75 40 PHE CD2 C 131.573 0.300 1 242 75 40 PHE CE1 C 131.539 0.300 1 243 75 40 PHE CE2 C 131.539 0.300 1 244 75 40 PHE N N 118.612 0.300 1 245 76 41 LYS H H 7.720 0.030 1 246 76 41 LYS HA H 4.108 0.030 1 247 76 41 LYS HB2 H 1.669 0.030 2 248 76 41 LYS HB3 H 1.753 0.030 2 249 76 41 LYS HG2 H 1.297 0.030 2 250 76 41 LYS C C 176.803 0.300 1 251 76 41 LYS CA C 56.841 0.300 1 252 76 41 LYS CB C 32.735 0.300 1 253 76 41 LYS CG C 24.909 0.300 1 254 76 41 LYS N N 120.856 0.300 1 255 77 42 LYS H H 7.950 0.030 1 256 77 42 LYS C C 176.946 0.300 1 257 77 42 LYS CA C 57.148 0.300 1 258 77 42 LYS CB C 32.821 0.300 1 259 77 42 LYS N N 121.047 0.300 1 260 81 46 ARG HA H 4.201 0.030 1 261 81 46 ARG HB2 H 1.671 0.030 2 262 81 46 ARG HB3 H 1.758 0.030 2 263 81 46 ARG HG2 H 1.494 0.030 1 264 81 46 ARG HG3 H 1.494 0.030 1 265 81 46 ARG HD2 H 3.086 0.030 1 266 81 46 ARG HD3 H 3.086 0.030 1 267 81 46 ARG C C 176.183 0.300 1 268 81 46 ARG CA C 56.451 0.300 1 269 81 46 ARG CB C 30.748 0.300 1 270 81 46 ARG CG C 27.136 0.300 1 271 81 46 ARG CD C 43.381 0.300 1 272 82 47 LYS H H 8.148 0.030 1 273 82 47 LYS HA H 4.283 0.030 1 274 82 47 LYS HB2 H 1.738 0.030 2 275 82 47 LYS HB3 H 1.792 0.030 2 276 82 47 LYS HG2 H 1.341 0.030 2 277 82 47 LYS HG3 H 1.411 0.030 2 278 82 47 LYS HD2 H 1.633 0.030 1 279 82 47 LYS HD3 H 1.633 0.030 1 280 82 47 LYS HE2 H 2.949 0.030 2 281 82 47 LYS C C 176.642 0.300 1 282 82 47 LYS CA C 56.653 0.300 1 283 82 47 LYS CB C 32.986 0.300 1 284 82 47 LYS CG C 24.935 0.300 1 285 82 47 LYS CD C 29.115 0.300 1 286 82 47 LYS CE C 42.144 0.300 1 287 82 47 LYS N N 121.984 0.300 1 288 88 53 ASN HA H 4.617 0.030 1 289 88 53 ASN HB2 H 2.744 0.030 1 290 88 53 ASN HB3 H 2.744 0.030 1 291 88 53 ASN HD21 H 6.868 0.030 2 292 88 53 ASN HD22 H 7.547 0.030 2 293 88 53 ASN C C 175.301 0.300 1 294 88 53 ASN CA C 53.393 0.300 1 295 88 53 ASN CB C 38.682 0.300 1 296 88 53 ASN ND2 N 112.741 0.300 1 297 89 54 LYS H H 8.125 0.030 1 298 89 54 LYS C C 176.161 0.300 1 299 89 54 LYS CA C 56.923 0.300 1 300 89 54 LYS CB C 32.694 0.300 1 301 89 54 LYS N N 121.193 0.300 1 302 90 55 PHE H H 8.087 0.030 1 303 90 55 PHE HA H 4.565 0.030 1 304 90 55 PHE HB2 H 2.943 0.030 2 305 90 55 PHE HB3 H 3.120 0.030 2 306 90 55 PHE HD1 H 7.178 0.030 1 307 90 55 PHE HD2 H 7.178 0.030 1 308 90 55 PHE HE1 H 7.275 0.030 1 309 90 55 PHE HE2 H 7.275 0.030 1 310 90 55 PHE C C 175.507 0.300 1 311 90 55 PHE CA C 57.543 0.300 1 312 90 55 PHE CB C 39.250 0.300 1 313 90 55 PHE CD1 C 131.704 0.300 1 314 90 55 PHE CD2 C 131.704 0.300 1 315 90 55 PHE CE1 C 131.350 0.300 1 316 90 55 PHE CE2 C 131.350 0.300 1 317 90 55 PHE N N 119.773 0.300 1 318 91 56 LEU H H 7.942 0.030 1 319 91 56 LEU HA H 4.261 0.030 1 320 91 56 LEU HB2 H 1.468 0.030 2 321 91 56 LEU HB3 H 1.528 0.030 2 322 91 56 LEU HG H 1.469 0.030 1 323 91 56 LEU HD1 H 0.779 0.030 2 324 91 56 LEU HD2 H 0.839 0.030 2 325 91 56 LEU C C 176.880 0.300 1 326 91 56 LEU CA C 55.108 0.300 1 327 91 56 LEU CB C 42.428 0.300 1 328 91 56 LEU CG C 26.807 0.300 1 329 91 56 LEU CD1 C 23.607 0.300 2 330 91 56 LEU CD2 C 24.937 0.300 2 331 91 56 LEU N N 123.039 0.300 1 332 92 57 LYS H H 8.203 0.030 1 333 92 57 LYS C C 176.497 0.300 1 334 92 57 LYS CA C 56.406 0.300 1 335 92 57 LYS CB C 33.069 0.300 1 336 92 57 LYS N N 122.157 0.300 1 337 95 60 ASN HA H 4.657 0.030 1 338 95 60 ASN HB2 H 2.665 0.030 2 339 95 60 ASN C C 174.743 0.300 1 340 95 60 ASN CA C 53.228 0.300 1 341 95 60 ASN CB C 38.847 0.300 1 342 96 61 TYR H H 8.030 0.030 1 343 96 61 TYR HA H 4.501 0.030 1 344 96 61 TYR HB2 H 3.028 0.030 2 345 96 61 TYR HB3 H 2.898 0.030 2 346 96 61 TYR HD1 H 7.065 0.030 1 347 96 61 TYR HD2 H 7.065 0.030 1 348 96 61 TYR HE1 H 6.789 0.030 1 349 96 61 TYR HE2 H 6.789 0.030 1 350 96 61 TYR C C 175.240 0.300 1 351 96 61 TYR CA C 58.120 0.300 1 352 96 61 TYR CB C 38.723 0.300 1 353 96 61 TYR CD1 C 133.241 0.300 1 354 96 61 TYR CD2 C 133.241 0.300 1 355 96 61 TYR CE1 C 118.237 0.300 1 356 96 61 TYR CE2 C 118.237 0.300 1 357 96 61 TYR N N 120.355 0.300 1 358 97 62 ASP H H 8.202 0.030 1 359 97 62 ASP HB2 H 2.567 0.030 2 360 97 62 ASP HB3 H 2.659 0.030 2 361 97 62 ASP C C 175.915 0.300 1 362 97 62 ASP CA C 54.179 0.300 1 363 97 62 ASP CB C 41.480 0.300 1 364 97 62 ASP N N 122.193 0.300 1 365 99 64 SER C C 174.765 0.300 1 366 99 64 SER CA C 59.096 0.300 1 367 99 64 SER CB C 63.807 0.300 1 368 100 65 ASP H H 8.316 0.030 1 369 100 65 ASP HA H 4.591 0.030 1 370 100 65 ASP HB2 H 2.603 0.030 2 371 100 65 ASP HB3 H 2.704 0.030 2 372 100 65 ASP C C 176.319 0.300 1 373 100 65 ASP CA C 54.612 0.300 1 374 100 65 ASP CB C 41.156 0.300 1 375 100 65 ASP N N 122.116 0.300 1 376 101 66 GLU H H 8.215 0.030 1 377 101 66 GLU HA H 4.248 0.030 1 378 101 66 GLU HB2 H 1.901 0.030 2 379 101 66 GLU HB3 H 2.043 0.030 2 380 101 66 GLU HG2 H 2.229 0.030 2 381 101 66 GLU C C 176.529 0.300 1 382 101 66 GLU CA C 56.758 0.300 1 383 101 66 GLU CB C 30.424 0.300 1 384 101 66 GLU CG C 36.285 0.300 1 385 101 66 GLU N N 120.576 0.300 1 386 102 67 GLU H H 8.343 0.030 1 387 102 67 GLU C C 176.431 0.300 1 388 102 67 GLU CA C 56.570 0.300 1 389 102 67 GLU CB C 30.430 0.300 1 390 102 67 GLU N N 121.675 0.300 1 391 103 68 SER C C 174.316 0.300 1 392 103 68 SER CA C 58.352 0.300 1 393 103 68 SER CB C 63.972 0.300 1 394 104 69 ASP H H 8.428 0.030 1 395 104 69 ASP HA H 4.617 0.030 1 396 104 69 ASP HB2 H 2.652 0.030 2 397 104 69 ASP C C 176.351 0.300 1 398 104 69 ASP CA C 54.447 0.300 1 399 104 69 ASP CB C 41.403 0.300 1 400 104 69 ASP N N 122.975 0.300 1 401 105 70 GLU H H 8.322 0.030 1 402 105 70 GLU HA H 4.246 0.030 1 403 105 70 GLU HB2 H 1.897 0.030 2 404 105 70 GLU HB3 H 2.033 0.030 2 405 105 70 GLU HG2 H 2.229 0.030 2 406 105 70 GLU C C 176.784 0.300 1 407 105 70 GLU CA C 56.717 0.300 1 408 105 70 GLU CB C 30.383 0.300 1 409 105 70 GLU CG C 36.285 0.300 1 410 105 70 GLU N N 120.996 0.300 1 411 106 71 GLU H H 8.435 0.030 1 412 106 71 GLU HA H 4.222 0.030 1 413 106 71 GLU HB2 H 1.924 0.030 2 414 106 71 GLU HB3 H 2.039 0.030 2 415 106 71 GLU C C 176.654 0.300 1 416 106 71 GLU CA C 56.923 0.300 1 417 106 71 GLU CB C 30.252 0.300 1 418 106 71 GLU CG C 36.285 0.300 1 419 106 71 GLU N N 121.643 0.300 1 420 107 72 ASP H H 8.380 0.030 1 421 107 72 ASP HA H 4.512 0.030 1 422 107 72 ASP HB2 H 2.675 0.030 2 423 107 72 ASP C C 177.088 0.300 1 424 107 72 ASP CA C 54.942 0.300 1 425 107 72 ASP CB C 41.114 0.300 1 426 107 72 ASP N N 121.329 0.300 1 427 108 73 GLY H H 8.344 0.030 1 428 108 73 GLY HA2 H 3.896 0.030 2 429 108 73 GLY HA3 H 3.925 0.030 2 430 108 73 GLY C C 174.573 0.300 1 431 108 73 GLY CA C 45.820 0.300 1 432 108 73 GLY N N 108.947 0.300 1 433 109 74 LYS H H 7.984 0.030 1 434 109 74 LYS C C 176.589 0.300 1 435 109 74 LYS CA C 56.570 0.300 1 436 109 74 LYS CB C 32.821 0.300 1 437 109 74 LYS N N 120.125 0.300 1 438 110 75 LYS H H 8.124 0.030 1 439 110 75 LYS HA H 4.287 0.030 1 440 110 75 LYS HB2 H 1.760 0.030 1 441 110 75 LYS HB3 H 1.760 0.030 1 442 110 75 LYS HG2 H 1.408 0.030 2 443 110 75 LYS HG3 H 1.352 0.030 2 444 110 75 LYS HD2 H 1.641 0.030 1 445 110 75 LYS HD3 H 1.641 0.030 1 446 110 75 LYS HE2 H 2.942 0.030 1 447 110 75 LYS HE3 H 2.942 0.030 1 448 110 75 LYS C C 176.469 0.300 1 449 110 75 LYS CA C 56.451 0.300 1 450 110 75 LYS CB C 32.897 0.300 1 451 110 75 LYS CG C 24.740 0.300 1 452 110 75 LYS CD C 29.111 0.300 1 453 110 75 LYS CE C 42.222 0.300 1 454 110 75 LYS N N 121.854 0.300 1 455 111 76 VAL H H 8.123 0.030 1 456 111 76 VAL HA H 4.037 0.030 1 457 111 76 VAL HB H 1.989 0.030 1 458 111 76 VAL HG1 H 0.905 0.030 2 459 111 76 VAL C C 175.928 0.300 1 460 111 76 VAL CA C 62.331 0.300 1 461 111 76 VAL CB C 32.774 0.300 1 462 111 76 VAL CG1 C 20.862 0.300 2 463 111 76 VAL N N 122.255 0.300 1 464 112 77 VAL H H 8.252 0.030 1 465 112 77 VAL HA H 4.063 0.030 1 466 112 77 VAL HB H 1.994 0.030 1 467 112 77 VAL HG1 H 0.875 0.030 2 468 112 77 VAL C C 175.915 0.300 1 469 112 77 VAL CA C 62.237 0.300 1 470 112 77 VAL CB C 32.781 0.300 1 471 112 77 VAL CG1 C 21.029 0.300 2 472 112 77 VAL N N 125.342 0.300 1 473 113 78 LYS H H 8.314 0.030 1 474 113 78 LYS HA H 4.391 0.030 1 475 113 78 LYS HB2 H 1.654 0.030 2 476 113 78 LYS HB3 H 1.737 0.030 2 477 113 78 LYS HG2 H 1.450 0.030 2 478 113 78 LYS HG3 H 1.383 0.030 2 479 113 78 LYS HD2 H 1.570 0.030 1 480 113 78 LYS HD3 H 1.570 0.030 1 481 113 78 LYS HE2 H 2.878 0.030 1 482 113 78 LYS HE3 H 2.878 0.030 1 483 113 78 LYS C C 176.339 0.300 1 484 113 78 LYS CA C 56.346 0.300 1 485 113 78 LYS CB C 34.515 0.300 1 486 113 78 LYS CG C 25.574 0.300 1 487 113 78 LYS CD C 29.609 0.300 1 488 113 78 LYS CE C 42.104 0.300 1 489 113 78 LYS N N 126.043 0.300 1 490 114 79 SER H H 8.781 0.030 1 491 114 79 SER HA H 4.414 0.030 1 492 114 79 SER HB2 H 4.284 0.030 2 493 114 79 SER HB3 H 3.981 0.030 2 494 114 79 SER C C 174.367 0.300 1 495 114 79 SER CA C 58.464 0.300 1 496 114 79 SER CB C 64.924 0.300 1 497 114 79 SER N N 119.074 0.300 1 498 115 80 ALA H H 8.720 0.030 1 499 115 80 ALA HA H 3.924 0.030 1 500 115 80 ALA HB H 1.157 0.030 1 501 115 80 ALA C C 180.005 0.300 1 502 115 80 ALA CA C 55.548 0.300 1 503 115 80 ALA CB C 17.546 0.300 1 504 115 80 ALA N N 123.800 0.300 1 505 116 81 LYS H H 8.511 0.030 1 506 116 81 LYS HA H 3.801 0.030 1 507 116 81 LYS HB2 H 1.775 0.030 2 508 116 81 LYS HB3 H 2.034 0.030 2 509 116 81 LYS HG2 H 1.388 0.030 2 510 116 81 LYS C C 177.149 0.300 1 511 116 81 LYS CA C 60.718 0.300 1 512 116 81 LYS CB C 32.556 0.300 1 513 116 81 LYS CG C 25.771 0.300 1 514 116 81 LYS N N 117.938 0.300 1 515 117 82 GLU H H 7.724 0.030 1 516 117 82 GLU HA H 3.833 0.030 1 517 117 82 GLU HB2 H 1.990 0.030 2 518 117 82 GLU HB3 H 2.181 0.030 2 519 117 82 GLU HG2 H 2.327 0.030 2 520 117 82 GLU HG3 H 2.241 0.030 2 521 117 82 GLU CA C 59.921 0.300 1 522 117 82 GLU CB C 30.004 0.300 1 523 117 82 GLU CG C 37.339 0.300 1 524 117 82 GLU N N 118.372 0.300 1 525 118 83 LYS H H 8.295 0.030 1 526 118 83 LYS HA H 4.042 0.030 1 527 118 83 LYS HB2 H 1.855 0.030 2 528 118 83 LYS HB3 H 1.796 0.030 2 529 118 83 LYS HG2 H 1.394 0.030 2 530 118 83 LYS HG3 H 1.519 0.030 2 531 118 83 LYS HD2 H 1.631 0.030 1 532 118 83 LYS HD3 H 1.631 0.030 1 533 118 83 LYS HE2 H 2.894 0.030 1 534 118 83 LYS HE3 H 2.894 0.030 1 535 118 83 LYS C C 178.064 0.300 1 536 118 83 LYS CA C 59.456 0.300 1 537 118 83 LYS CB C 32.560 0.300 1 538 118 83 LYS CG C 25.698 0.300 1 539 118 83 LYS CD C 29.263 0.300 1 540 118 83 LYS CE C 42.065 0.300 1 541 118 83 LYS N N 118.600 0.300 1 542 119 84 LEU H H 8.015 0.030 1 543 119 84 LEU HA H 4.012 0.030 1 544 119 84 LEU HB2 H 1.658 0.030 2 545 119 84 LEU HB3 H 2.052 0.030 2 546 119 84 LEU HG H 1.602 0.030 1 547 119 84 LEU HD1 H 0.918 0.030 2 548 119 84 LEU HD2 H 0.981 0.030 2 549 119 84 LEU CA C 58.299 0.300 1 550 119 84 LEU CB C 42.060 0.300 1 551 119 84 LEU CD1 C 24.497 0.300 2 552 119 84 LEU CD2 C 27.544 0.300 2 553 119 84 LEU N N 120.514 0.300 1 554 120 85 LEU H H 8.243 0.030 1 555 120 85 LEU HA H 3.895 0.030 1 556 120 85 LEU HB2 H 1.440 0.030 2 557 120 85 LEU HB3 H 1.942 0.030 2 558 120 85 LEU HG H 1.654 0.030 1 559 120 85 LEU HD1 H 0.060 0.030 2 560 120 85 LEU HD2 H 0.642 0.030 2 561 120 85 LEU C C 178.888 0.300 1 562 120 85 LEU CA C 58.602 0.300 1 563 120 85 LEU CB C 40.444 0.300 1 564 120 85 LEU CD1 C 22.827 0.300 2 565 120 85 LEU CD2 C 26.100 0.300 2 566 120 85 LEU N N 119.595 0.300 1 567 121 86 ASP H H 8.244 0.030 1 568 121 86 ASP HA H 4.497 0.030 1 569 121 86 ASP HB2 H 2.713 0.030 1 570 121 86 ASP HB3 H 2.713 0.030 1 571 121 86 ASP CA C 54.500 0.300 1 572 121 86 ASP CB C 40.252 0.300 1 573 121 86 ASP N N 122.964 0.300 1 574 122 87 GLU H H 8.181 0.030 1 575 122 87 GLU HA H 4.188 0.030 1 576 122 87 GLU HB2 H 2.054 0.030 1 577 122 87 GLU HB3 H 2.054 0.030 1 578 122 87 GLU HG2 H 2.271 0.030 2 579 122 87 GLU HG3 H 2.352 0.030 2 580 122 87 GLU C C 179.135 0.300 1 581 122 87 GLU CA C 58.952 0.300 1 582 122 87 GLU CB C 28.892 0.300 1 583 122 87 GLU CG C 35.003 0.300 1 584 122 87 GLU N N 120.728 0.300 1 585 123 88 MET H H 8.733 0.030 1 586 123 88 MET HA H 4.275 0.030 1 587 123 88 MET HB2 H 2.661 0.030 2 588 123 88 MET HB3 H 2.270 0.030 2 589 123 88 MET HG2 H 2.720 0.030 2 590 123 88 MET HG3 H 2.586 0.030 2 591 123 88 MET HE H 2.135 0.030 1 592 123 88 MET C C 178.606 0.300 1 593 123 88 MET CA C 57.691 0.300 1 594 123 88 MET CB C 31.779 0.300 1 595 123 88 MET CG C 33.753 0.300 1 596 123 88 MET CE C 17.884 0.300 1 597 123 88 MET N N 118.162 0.300 1 598 124 89 GLN H H 8.257 0.030 1 599 124 89 GLN HA H 3.924 0.030 1 600 124 89 GLN HB2 H 2.222 0.030 1 601 124 89 GLN HB3 H 2.222 0.030 1 602 124 89 GLN HG2 H 2.392 0.030 2 603 124 89 GLN HG3 H 2.216 0.030 2 604 124 89 GLN HE21 H 7.297 0.030 2 605 124 89 GLN HE22 H 6.688 0.030 2 606 124 89 GLN C C 177.894 0.300 1 607 124 89 GLN CA C 58.930 0.300 1 608 124 89 GLN CB C 28.704 0.300 1 609 124 89 GLN CG C 34.145 0.300 1 610 124 89 GLN N N 119.094 0.300 1 611 124 89 GLN NE2 N 111.391 0.300 1 612 125 90 ASP H H 7.733 0.030 1 613 125 90 ASP HA H 4.495 0.030 1 614 125 90 ASP HB2 H 2.831 0.030 2 615 125 90 ASP HB3 H 2.788 0.030 2 616 125 90 ASP C C 179.012 0.300 1 617 125 90 ASP CA C 57.832 0.300 1 618 125 90 ASP CB C 41.492 0.300 1 619 125 90 ASP N N 119.777 0.300 1 620 126 91 VAL H H 8.559 0.030 1 621 126 91 VAL HA H 3.720 0.030 1 622 126 91 VAL HB H 2.168 0.030 1 623 126 91 VAL HG1 H 1.081 0.030 2 624 126 91 VAL HG2 H 1.154 0.030 2 625 126 91 VAL C C 177.070 0.300 1 626 126 91 VAL CA C 66.417 0.300 1 627 126 91 VAL CB C 31.458 0.300 1 628 126 91 VAL CG1 C 22.487 0.300 2 629 126 91 VAL CG2 C 25.278 0.300 2 630 126 91 VAL N N 119.603 0.300 1 631 127 92 TYR H H 8.553 0.030 1 632 127 92 TYR HA H 3.755 0.030 1 633 127 92 TYR HB2 H 3.021 0.030 2 634 127 92 TYR HB3 H 3.362 0.030 2 635 127 92 TYR HD1 H 6.923 0.030 1 636 127 92 TYR HD2 H 6.923 0.030 1 637 127 92 TYR HE1 H 6.897 0.030 1 638 127 92 TYR HE2 H 6.897 0.030 1 639 127 92 TYR C C 177.397 0.300 1 640 127 92 TYR CA C 62.647 0.300 1 641 127 92 TYR CB C 38.765 0.300 1 642 127 92 TYR CD1 C 133.141 0.300 1 643 127 92 TYR CD2 C 133.141 0.300 1 644 127 92 TYR CE1 C 118.719 0.300 1 645 127 92 TYR CE2 C 118.719 0.300 1 646 127 92 TYR N N 123.605 0.300 1 647 128 93 ASN H H 7.982 0.030 1 648 128 93 ASN HA H 4.378 0.030 1 649 128 93 ASN HB2 H 2.841 0.030 2 650 128 93 ASN HB3 H 3.087 0.030 2 651 128 93 ASN HD21 H 7.760 0.030 2 652 128 93 ASN HD22 H 6.948 0.030 2 653 128 93 ASN C C 178.281 0.300 1 654 128 93 ASN CA C 56.249 0.300 1 655 128 93 ASN CB C 37.967 0.300 1 656 128 93 ASN N N 117.834 0.300 1 657 128 93 ASN ND2 N 112.568 0.300 1 658 129 94 LYS H H 8.112 0.030 1 659 129 94 LYS HA H 3.834 0.030 1 660 129 94 LYS HB2 H 1.788 0.030 2 661 129 94 LYS HB3 H 1.786 0.030 2 662 129 94 LYS HG2 H 1.261 0.030 2 663 129 94 LYS HG3 H 1.666 0.030 2 664 129 94 LYS HD2 H 1.888 0.030 1 665 129 94 LYS HD3 H 1.888 0.030 1 666 129 94 LYS HE2 H 3.116 0.030 2 667 129 94 LYS HE3 H 3.289 0.030 2 668 129 94 LYS C C 180.094 0.300 1 669 129 94 LYS CA C 60.237 0.300 1 670 129 94 LYS CB C 32.743 0.300 1 671 129 94 LYS CG C 26.446 0.300 1 672 129 94 LYS CD C 30.217 0.300 1 673 129 94 LYS CE C 42.560 0.300 1 674 129 94 LYS N N 120.420 0.300 1 675 130 95 ILE H H 8.760 0.030 1 676 130 95 ILE HA H 3.091 0.030 1 677 130 95 ILE HB H 1.810 0.030 1 678 130 95 ILE HG12 H 0.880 0.030 2 679 130 95 ILE HG13 H 1.912 0.030 2 680 130 95 ILE HG2 H 0.829 0.030 1 681 130 95 ILE HD1 H 0.941 0.030 1 682 130 95 ILE C C 177.681 0.300 1 683 130 95 ILE CA C 65.409 0.300 1 684 130 95 ILE CB C 37.618 0.300 1 685 130 95 ILE CG1 C 30.469 0.300 1 686 130 95 ILE CG2 C 18.654 0.300 1 687 130 95 ILE CD1 C 15.192 0.300 1 688 130 95 ILE N N 121.601 0.300 1 689 131 96 SER H H 7.955 0.030 1 690 131 96 SER HA H 3.839 0.030 1 691 131 96 SER HB2 H 3.836 0.030 2 692 131 96 SER HB3 H 3.927 0.030 2 693 131 96 SER C C 176.003 0.300 1 694 131 96 SER CA C 62.435 0.300 1 695 131 96 SER CB C 62.780 0.300 1 696 131 96 SER N N 112.917 0.300 1 697 132 97 GLN H H 7.122 0.030 1 698 132 97 GLN HA H 4.301 0.030 1 699 132 97 GLN HB2 H 2.154 0.030 2 700 132 97 GLN HB3 H 1.746 0.030 2 701 132 97 GLN HG2 H 2.326 0.030 1 702 132 97 GLN HG3 H 2.326 0.030 1 703 132 97 GLN HE21 H 7.472 0.030 1 704 132 97 GLN HE22 H 7.472 0.030 1 705 132 97 GLN C C 175.663 0.300 1 706 132 97 GLN CA C 55.129 0.300 1 707 132 97 GLN CB C 30.087 0.300 1 708 132 97 GLN CG C 33.801 0.300 1 709 132 97 GLN N N 116.540 0.300 1 710 132 97 GLN NE2 N 112.199 0.300 1 711 133 98 ALA H H 7.081 0.030 1 712 133 98 ALA HA H 3.741 0.030 1 713 133 98 ALA HB H 0.204 0.030 1 714 133 98 ALA C C 178.269 0.300 1 715 133 98 ALA CA C 54.031 0.300 1 716 133 98 ALA CB C 17.622 0.300 1 717 133 98 ALA N N 124.154 0.300 1 718 134 99 GLU H H 9.652 0.030 1 719 134 99 GLU HA H 4.710 0.030 1 720 134 99 GLU HB2 H 2.128 0.030 2 721 134 99 GLU HB3 H 1.874 0.030 2 722 134 99 GLU HG2 H 2.298 0.030 2 723 134 99 GLU HG3 H 2.235 0.030 2 724 134 99 GLU C C 175.561 0.300 1 725 134 99 GLU CA C 56.782 0.300 1 726 134 99 GLU CB C 33.729 0.300 1 727 134 99 GLU CG C 35.826 0.300 1 728 134 99 GLU N N 121.212 0.300 1 729 135 100 ASN H H 7.940 0.030 1 730 135 100 ASN HA H 5.131 0.030 1 731 135 100 ASN HB2 H 2.898 0.030 2 732 135 100 ASN HB3 H 3.141 0.030 2 733 135 100 ASN HD21 H 7.622 0.030 2 734 135 100 ASN HD22 H 6.888 0.030 2 735 135 100 ASN C C 175.690 0.300 1 736 135 100 ASN CA C 51.936 0.300 1 737 135 100 ASN CB C 41.044 0.300 1 738 135 100 ASN N N 116.587 0.300 1 739 135 100 ASN ND2 N 114.293 0.300 1 740 137 102 ASP HB2 H 2.709 0.030 1 741 137 102 ASP HB3 H 2.709 0.030 1 742 137 102 ASP C C 178.790 0.300 1 743 137 102 ASP CB C 40.227 0.300 1 744 138 103 ASP H H 8.188 0.030 1 745 138 103 ASP HA H 4.622 0.030 1 746 138 103 ASP HB2 H 2.693 0.030 1 747 138 103 ASP HB3 H 2.693 0.030 1 748 138 103 ASP C C 179.612 0.300 1 749 138 103 ASP CA C 54.431 0.300 1 750 138 103 ASP CB C 41.249 0.300 1 751 138 103 ASP N N 121.471 0.300 1 752 139 104 TRP H H 7.625 0.030 1 753 139 104 TRP HA H 4.373 0.030 1 754 139 104 TRP HB2 H 3.109 0.030 2 755 139 104 TRP HB3 H 3.263 0.030 2 756 139 104 TRP HD1 H 7.092 0.030 1 757 139 104 TRP HE1 H 9.901 0.030 1 758 139 104 TRP HE3 H 7.325 0.030 1 759 139 104 TRP HZ2 H 7.214 0.030 1 760 139 104 TRP HZ3 H 6.698 0.030 1 761 139 104 TRP HH2 H 6.770 0.030 1 762 139 104 TRP C C 178.167 0.300 1 763 139 104 TRP CA C 60.225 0.300 1 764 139 104 TRP CB C 29.673 0.300 1 765 139 104 TRP CD1 C 128.534 0.300 1 766 139 104 TRP CE3 C 120.325 0.300 1 767 139 104 TRP CZ2 C 114.282 0.300 1 768 139 104 TRP CZ3 C 120.482 0.300 1 769 139 104 TRP CH2 C 123.170 0.300 1 770 139 104 TRP N N 118.549 0.300 1 771 139 104 TRP NE1 N 128.208 0.300 1 772 140 105 LEU H H 8.295 0.030 1 773 140 105 LEU HA H 4.259 0.030 1 774 140 105 LEU HB2 H 1.868 0.030 2 775 140 105 LEU HB3 H 1.921 0.030 2 776 140 105 LEU HG H 1.739 0.030 1 777 140 105 LEU HD1 H 0.985 0.030 2 778 140 105 LEU HD2 H 0.961 0.030 2 779 140 105 LEU C C 179.289 0.300 1 780 140 105 LEU CA C 58.352 0.300 1 781 140 105 LEU CB C 41.489 0.300 1 782 140 105 LEU CG C 27.073 0.300 1 783 140 105 LEU CD1 C 24.102 0.300 2 784 140 105 LEU CD2 C 24.601 0.300 2 785 140 105 LEU N N 123.724 0.300 1 786 141 106 THR H H 7.907 0.030 1 787 141 106 THR HA H 4.022 0.030 1 788 141 106 THR HB H 4.311 0.030 1 789 141 106 THR HG2 H 1.241 0.030 1 790 141 106 THR C C 176.955 0.300 1 791 141 106 THR CA C 66.745 0.300 1 792 141 106 THR CB C 68.684 0.300 1 793 141 106 THR CG2 C 22.012 0.300 1 794 141 106 THR N N 116.527 0.300 1 795 142 107 ILE H H 7.689 0.030 1 796 142 107 ILE HA H 3.516 0.030 1 797 142 107 ILE HB H 1.935 0.030 1 798 142 107 ILE HG12 H 0.729 0.030 2 799 142 107 ILE HG13 H 1.644 0.030 2 800 142 107 ILE HG2 H 0.918 0.030 1 801 142 107 ILE HD1 H 0.128 0.030 1 802 142 107 ILE C C 177.143 0.300 1 803 142 107 ILE CA C 65.955 0.300 1 804 142 107 ILE CB C 38.091 0.300 1 805 142 107 ILE CG1 C 30.764 0.300 1 806 142 107 ILE CG2 C 18.882 0.300 1 807 142 107 ILE CD1 C 14.555 0.300 1 808 142 107 ILE N N 122.050 0.300 1 809 143 108 SER H H 8.628 0.030 1 810 143 108 SER HA H 4.111 0.030 1 811 143 108 SER HB2 H 4.157 0.030 1 812 143 108 SER HB3 H 4.157 0.030 1 813 143 108 SER C C 177.188 0.300 1 814 143 108 SER CA C 62.814 0.300 1 815 143 108 SER CB C 62.944 0.300 1 816 143 108 SER N N 116.095 0.300 1 817 144 109 ASN H H 8.186 0.030 1 818 144 109 ASN HA H 4.584 0.030 1 819 144 109 ASN HB2 H 2.910 0.030 2 820 144 109 ASN HB3 H 3.077 0.030 2 821 144 109 ASN HD21 H 6.835 0.030 2 822 144 109 ASN HD22 H 7.722 0.030 2 823 144 109 ASN C C 176.248 0.300 1 824 144 109 ASN CA C 56.080 0.300 1 825 144 109 ASN CB C 38.071 0.300 1 826 144 109 ASN N N 119.860 0.300 1 827 144 109 ASN ND2 N 112.069 0.300 1 828 145 110 GLU H H 8.329 0.030 1 829 145 110 GLU HA H 4.188 0.030 1 830 145 110 GLU HB2 H 2.195 0.030 2 831 145 110 GLU HB3 H 2.261 0.030 2 832 145 110 GLU HG2 H 2.424 0.030 1 833 145 110 GLU HG3 H 2.424 0.030 1 834 145 110 GLU C C 178.978 0.300 1 835 145 110 GLU CA C 59.084 0.300 1 836 145 110 GLU CB C 28.599 0.300 1 837 145 110 GLU CG C 35.560 0.300 1 838 145 110 GLU N N 121.778 0.300 1 839 146 111 PHE H H 9.013 0.030 1 840 146 111 PHE HA H 4.280 0.030 1 841 146 111 PHE HB2 H 3.251 0.030 2 842 146 111 PHE HB3 H 3.298 0.030 2 843 146 111 PHE HD1 H 7.271 0.030 1 844 146 111 PHE HD2 H 7.271 0.030 1 845 146 111 PHE HE1 H 7.071 0.030 1 846 146 111 PHE HE2 H 7.071 0.030 1 847 146 111 PHE HZ H 6.973 0.030 1 848 146 111 PHE C C 178.139 0.300 1 849 146 111 PHE CA C 62.410 0.300 1 850 146 111 PHE CB C 38.639 0.300 1 851 146 111 PHE CD1 C 131.092 0.300 1 852 146 111 PHE CD2 C 131.092 0.300 1 853 146 111 PHE CE1 C 130.928 0.300 1 854 146 111 PHE CE2 C 130.928 0.300 1 855 146 111 PHE CZ C 129.392 0.300 1 856 146 111 PHE N N 120.907 0.300 1 857 147 112 ASP H H 7.907 0.030 1 858 147 112 ASP HA H 4.505 0.030 1 859 147 112 ASP HB2 H 2.801 0.030 2 860 147 112 ASP HB3 H 2.961 0.030 2 861 147 112 ASP C C 178.679 0.300 1 862 147 112 ASP CA C 57.931 0.300 1 863 147 112 ASP CB C 40.825 0.300 1 864 147 112 ASP N N 120.379 0.300 1 865 148 113 LEU H H 7.392 0.030 1 866 148 113 LEU HA H 4.082 0.030 1 867 148 113 LEU HB2 H 1.831 0.030 2 868 148 113 LEU HB3 H 1.893 0.030 2 869 148 113 LEU HG H 1.616 0.030 1 870 148 113 LEU HD1 H 0.921 0.030 2 871 148 113 LEU HD2 H 0.872 0.030 2 872 148 113 LEU C C 179.622 0.300 1 873 148 113 LEU CA C 58.366 0.300 1 874 148 113 LEU CB C 41.128 0.300 1 875 148 113 LEU CG C 27.377 0.300 1 876 148 113 LEU CD1 C 24.249 0.300 2 877 148 113 LEU CD2 C 24.353 0.300 2 878 148 113 LEU N N 120.650 0.300 1 879 149 114 ILE H H 8.321 0.030 1 880 149 114 ILE HA H 3.422 0.030 1 881 149 114 ILE HB H 1.819 0.030 1 882 149 114 ILE HG12 H 0.848 0.030 2 883 149 114 ILE HG13 H 1.816 0.030 2 884 149 114 ILE HG2 H 0.560 0.030 1 885 149 114 ILE HD1 H 0.717 0.030 1 886 149 114 ILE C C 177.082 0.300 1 887 149 114 ILE CA C 65.982 0.300 1 888 149 114 ILE CB C 37.525 0.300 1 889 149 114 ILE CG1 C 30.259 0.300 1 890 149 114 ILE CG2 C 17.669 0.300 1 891 149 114 ILE CD1 C 13.867 0.300 1 892 149 114 ILE N N 120.919 0.300 1 893 150 115 SER H H 8.264 0.030 1 894 150 115 SER HA H 4.051 0.030 1 895 150 115 SER HB2 H 3.934 0.030 1 896 150 115 SER HB3 H 3.934 0.030 1 897 150 115 SER C C 176.688 0.300 1 898 150 115 SER CA C 62.579 0.300 1 899 150 115 SER CB C 62.482 0.300 1 900 150 115 SER N N 115.030 0.300 1 901 151 116 ARG H H 7.542 0.030 1 902 151 116 ARG HA H 4.064 0.030 1 903 151 116 ARG HB2 H 1.998 0.030 2 904 151 116 ARG HB3 H 1.848 0.030 2 905 151 116 ARG HG2 H 1.840 0.030 2 906 151 116 ARG HG3 H 1.647 0.030 2 907 151 116 ARG HD2 H 3.094 0.030 2 908 151 116 ARG HD3 H 3.233 0.030 2 909 151 116 ARG C C 179.456 0.300 1 910 151 116 ARG CA C 59.288 0.300 1 911 151 116 ARG CB C 30.060 0.300 1 912 151 116 ARG CG C 28.004 0.300 1 913 151 116 ARG CD C 43.644 0.300 1 914 151 116 ARG N N 120.477 0.300 1 915 152 117 LEU H H 8.158 0.030 1 916 152 117 LEU HA H 3.981 0.030 1 917 152 117 LEU HB2 H 1.397 0.030 2 918 152 117 LEU HB3 H 2.006 0.030 2 919 152 117 LEU HG H 1.785 0.030 1 920 152 117 LEU HD1 H 0.790 0.030 2 921 152 117 LEU HD2 H 0.816 0.030 2 922 152 117 LEU CA C 57.445 0.300 1 923 152 117 LEU CB C 42.144 0.300 1 924 152 117 LEU CG C 26.786 0.300 1 925 152 117 LEU CD1 C 25.660 0.300 2 926 152 117 LEU CD2 C 22.632 0.300 2 927 152 117 LEU N N 121.269 0.300 1 928 153 118 LEU H H 8.304 0.030 1 929 153 118 LEU HA H 3.821 0.030 1 930 153 118 LEU HB2 H 1.552 0.030 2 931 153 118 LEU HB3 H 1.657 0.030 2 932 153 118 LEU HG H 1.478 0.030 1 933 153 118 LEU HD1 H 0.638 0.030 2 934 153 118 LEU HD2 H 0.676 0.030 2 935 153 118 LEU CA C 58.186 0.300 1 936 153 118 LEU CB C 41.492 0.300 1 937 153 118 LEU CG C 27.013 0.300 1 938 153 118 LEU CD1 C 24.796 0.300 2 939 153 118 LEU CD2 C 25.322 0.300 2 940 153 118 LEU N N 121.126 0.300 1 941 154 119 VAL H H 7.268 0.030 1 942 154 119 VAL HA H 3.535 0.030 1 943 154 119 VAL HB H 2.030 0.030 1 944 154 119 VAL HG1 H 1.008 0.030 2 945 154 119 VAL HG2 H 0.830 0.030 2 946 154 119 VAL CA C 66.305 0.300 1 947 154 119 VAL CB C 31.506 0.300 1 948 154 119 VAL CG1 C 22.467 0.300 2 949 154 119 VAL CG2 C 21.116 0.300 2 950 154 119 VAL N N 118.294 0.300 1 951 155 120 ARG H H 7.357 0.030 1 952 155 120 ARG HA H 3.910 0.030 1 953 155 120 ARG HB2 H 1.757 0.030 1 954 155 120 ARG HB3 H 1.757 0.030 1 955 155 120 ARG HG2 H 1.655 0.030 2 956 155 120 ARG HG3 H 1.564 0.030 2 957 155 120 ARG HD2 H 3.086 0.030 1 958 155 120 ARG HD3 H 3.086 0.030 1 959 155 120 ARG C C 178.337 0.300 1 960 155 120 ARG CA C 58.600 0.300 1 961 155 120 ARG CB C 29.846 0.300 1 962 155 120 ARG CG C 27.358 0.300 1 963 155 120 ARG CD C 43.381 0.300 1 964 155 120 ARG N N 118.513 0.300 1 965 156 121 ALA H H 7.914 0.030 1 966 156 121 ALA HA H 3.460 0.030 1 967 156 121 ALA HB H 0.609 0.030 1 968 156 121 ALA C C 178.399 0.300 1 969 156 121 ALA CA C 54.365 0.300 1 970 156 121 ALA CB C 17.453 0.300 1 971 156 121 ALA N N 120.930 0.300 1 972 157 122 GLN H H 7.345 0.030 1 973 157 122 GLN HA H 3.171 0.030 1 974 157 122 GLN HB2 H 1.806 0.030 2 975 157 122 GLN HB3 H 1.744 0.030 2 976 157 122 GLN HG2 H 1.914 0.030 2 977 157 122 GLN HG3 H 2.055 0.030 2 978 157 122 GLN HE21 H 6.863 0.030 2 979 157 122 GLN HE22 H 6.834 0.030 2 980 157 122 GLN C C 176.923 0.300 1 981 157 122 GLN CA C 57.493 0.300 1 982 157 122 GLN CB C 28.905 0.300 1 983 157 122 GLN CG C 33.976 0.300 1 984 157 122 GLN N N 115.441 0.300 1 985 157 122 GLN NE2 N 109.728 0.300 1 986 158 123 GLN H H 7.462 0.030 1 987 158 123 GLN HA H 3.946 0.030 1 988 158 123 GLN HB2 H 1.982 0.030 2 989 158 123 GLN HB3 H 1.944 0.030 2 990 158 123 GLN HG2 H 2.389 0.030 2 991 158 123 GLN HG3 H 2.203 0.030 2 992 158 123 GLN HE21 H 7.019 0.030 2 993 158 123 GLN HE22 H 6.625 0.030 2 994 158 123 GLN C C 176.712 0.300 1 995 158 123 GLN CA C 56.672 0.300 1 996 158 123 GLN CB C 28.608 0.300 1 997 158 123 GLN CG C 34.123 0.300 1 998 158 123 GLN N N 117.449 0.300 1 999 158 123 GLN NE2 N 111.889 0.300 1 1000 159 124 GLN H H 7.722 0.030 1 1001 159 124 GLN HA H 4.082 0.030 1 1002 159 124 GLN HB2 H 1.793 0.030 2 1003 159 124 GLN HB3 H 1.932 0.030 2 1004 159 124 GLN HG2 H 2.214 0.030 2 1005 159 124 GLN HG3 H 2.255 0.030 2 1006 159 124 GLN HE21 H 7.402 0.030 2 1007 159 124 GLN HE22 H 6.812 0.030 2 1008 159 124 GLN C C 175.533 0.300 1 1009 159 124 GLN CA C 56.428 0.300 1 1010 159 124 GLN CB C 28.897 0.300 1 1011 159 124 GLN CG C 33.976 0.300 1 1012 159 124 GLN N N 118.480 0.300 1 1013 159 124 GLN NE2 N 111.918 0.300 1 1014 160 125 ASN H H 7.964 0.030 1 1015 160 125 ASN HA H 4.682 0.030 1 1016 160 125 ASN HB2 H 2.584 0.030 2 1017 160 125 ASN HB3 H 2.764 0.030 2 1018 160 125 ASN HD21 H 7.495 0.030 2 1019 160 125 ASN HD22 H 6.835 0.030 2 1020 160 125 ASN C C 174.840 0.300 1 1021 160 125 ASN CA C 53.373 0.300 1 1022 160 125 ASN CB C 38.976 0.300 1 1023 160 125 ASN N N 118.345 0.300 1 1024 160 125 ASN ND2 N 112.817 0.300 1 1025 161 126 TRP H H 8.004 0.030 1 1026 161 126 TRP HA H 4.631 0.030 1 1027 161 126 TRP HB2 H 3.351 0.030 2 1028 161 126 TRP HB3 H 3.209 0.030 2 1029 161 126 TRP HD1 H 7.181 0.030 1 1030 161 126 TRP HE1 H 10.016 0.030 1 1031 161 126 TRP HE3 H 7.513 0.030 1 1032 161 126 TRP HZ2 H 7.348 0.030 1 1033 161 126 TRP HZ3 H 7.030 0.030 1 1034 161 126 TRP HH2 H 7.112 0.030 1 1035 161 126 TRP C C 176.726 0.300 1 1036 161 126 TRP CA C 57.419 0.300 1 1037 161 126 TRP CB C 29.639 0.300 1 1038 161 126 TRP CD1 C 126.835 0.300 1 1039 161 126 TRP CE3 C 120.870 0.300 1 1040 161 126 TRP CZ2 C 114.563 0.300 1 1041 161 126 TRP CZ3 C 121.853 0.300 1 1042 161 126 TRP CH2 C 124.456 0.300 1 1043 161 126 TRP N N 121.350 0.300 1 1044 161 126 TRP NE1 N 128.794 0.300 1 1045 162 127 GLY H H 8.255 0.030 1 1046 162 127 GLY HA2 H 3.984 0.030 2 1047 162 127 GLY HA3 H 3.928 0.030 2 1048 162 127 GLY C C 173.526 0.300 1 1049 162 127 GLY CA C 45.531 0.300 1 1050 162 127 GLY N N 110.239 0.300 1 1051 163 128 THR H H 7.700 0.030 1 1052 163 128 THR HA H 4.177 0.030 1 1053 163 128 THR HB H 4.261 0.030 1 1054 163 128 THR HG2 H 1.170 0.030 1 1055 163 128 THR C C 179.326 0.300 1 1056 163 128 THR CA C 63.261 0.300 1 1057 163 128 THR CB C 70.836 0.300 1 1058 163 128 THR CG2 C 22.092 0.300 1 1059 163 128 THR N N 118.441 0.300 1 stop_ save_