data_30370 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of uncharacterized protein YejG representing the first structure from PF13989 ; _BMRB_accession_number 30370 _BMRB_flat_file_name bmr30370.str _Entry_type original _Submission_date 2017-11-01 _Accession_date 2017-11-28 _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 Mohanty B. . . 2 Finn T. J. . 3 Macindoe I. . . 4 Zhong J. . . 5 Patrick W. M. . 6 Mackay J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 577 "13C chemical shifts" 439 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-08 update BMRB 'update entry citation' 2018-10-31 original author 'original release' stop_ _Original_release_date 2017-11-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The uncharacterized bacterial protein YejG has the same architecture as domain III of elongation factor G. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30958578 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mohanty Biswaranjan . . 2 Hanson-Manful Paulina . . 3 Finn Thomas J. . 4 Chambers Cecilia R. . 5 McKellar James . . 6 Macindoe Ingrid . . 7 Helder Stephanie . . 8 Setiyaputra Surya . . 9 Zhong Yichen . . 10 Mackay Joel P. . 11 Patrick Wayne M. . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 87 _Journal_issue 8 _Journal_ISSN 1097-0134 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 699 _Page_last 705 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Uncharacterized protein YejG' _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 12557.149 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GPTSLQLSIVHRLPQNYRWS AGFAGSKVEPIPQNGPCGDN SLVALKLLSPDGDNAWSVMY KLSQALSDIEVPCSVLECEG EPCLFVNRQDEFAATCRLKN FGVAIAEPFSNYNPF ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 THR 4 SER 5 LEU 6 GLN 7 LEU 8 SER 9 ILE 10 VAL 11 HIS 12 ARG 13 LEU 14 PRO 15 GLN 16 ASN 17 TYR 18 ARG 19 TRP 20 SER 21 ALA 22 GLY 23 PHE 24 ALA 25 GLY 26 SER 27 LYS 28 VAL 29 GLU 30 PRO 31 ILE 32 PRO 33 GLN 34 ASN 35 GLY 36 PRO 37 CYS 38 GLY 39 ASP 40 ASN 41 SER 42 LEU 43 VAL 44 ALA 45 LEU 46 LYS 47 LEU 48 LEU 49 SER 50 PRO 51 ASP 52 GLY 53 ASP 54 ASN 55 ALA 56 TRP 57 SER 58 VAL 59 MET 60 TYR 61 LYS 62 LEU 63 SER 64 GLN 65 ALA 66 LEU 67 SER 68 ASP 69 ILE 70 GLU 71 VAL 72 PRO 73 CYS 74 SER 75 VAL 76 LEU 77 GLU 78 CYS 79 GLU 80 GLY 81 GLU 82 PRO 83 CYS 84 LEU 85 PHE 86 VAL 87 ASN 88 ARG 89 GLN 90 ASP 91 GLU 92 PHE 93 ALA 94 ALA 95 THR 96 CYS 97 ARG 98 LEU 99 LYS 100 ASN 101 PHE 102 GLY 103 VAL 104 ALA 105 ILE 106 ALA 107 GLU 108 PRO 109 PHE 110 SER 111 ASN 112 TYR 113 ASN 114 PRO 115 PHE 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 'Escherichia coli' 562 Bacteria . Escherichia coli K12 'yejG, b2181, JW2169' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . Plasmid pGEX-6p stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling Bi-tris 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' PMSF 0.2 mM 'natural abundance' TCEP 1 mM 'natural abundance' $entity_1 600 uM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Guntert' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_[15N,1H]-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N,1H]-HSQC' _Sample_label $sample_1 save_ save_3D_15N-resolved_[1H,1H]-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13Cali-resolved_[1H,1H]-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13Cali-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13Caro-resolved_[1H,1H]-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13Caro-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_2D_[13Cali,1H]-HSQC_(multiplicity_edited)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [13Cali,1H]-HSQC (multiplicity edited)' _Sample_label $sample_1 save_ save_2D_[13Caro,1H]-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [13Caro,1H]-HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_NUS_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNCA' _Sample_label $sample_1 save_ save_3D_NUS_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNCACB' _Sample_label $sample_1 save_ save_3D_NUS_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_NUS_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HN(CA)CO' _Sample_label $sample_1 save_ save_3D_NUS_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNCO' _Sample_label $sample_1 save_ save_3D_NUS_HBHA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_NUS_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS HNHA' _Sample_label $sample_1 save_ save_3D_NUS_(H)CC(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NUS (H)CC(CO)NH' _Sample_label $sample_1 save_ save_15N{1H}-NOE_16 _Saveframe_category NMR_applied_experiment _Experiment_name 15N{1H}-NOE _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' 50 . mM pH 6.5 . 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 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_ _Experiment_label '2D [15N,1H]-HSQC' '3D 15N-resolved [1H,1H]-NOESY' '3D 13Cali-resolved [1H,1H]-NOESY' '3D 13Caro-resolved [1H,1H]-NOESY' '2D [13Cali,1H]-HSQC (multiplicity edited)' '2D [13Caro,1H]-HSQC' '2D 1H-1H NOESY' '3D NUS HNCA' '3D NUS HNCACB' '3D NUS CBCA(CO)NH' '3D NUS HN(CA)CO' '3D NUS HNCO' '3D NUS HBHA(CO)NH' '3D NUS HNHA' '3D NUS (H)CC(CO)NH' 15N{1H}-NOE 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 1 2 PRO HA H 4.481 0.02 1 2 1 2 PRO HB2 H 1.887 0.02 2 3 1 2 PRO HB3 H 2.236 0.02 2 4 1 2 PRO HG2 H 1.757 0.02 2 5 1 2 PRO HG3 H 1.929 0.02 2 6 1 2 PRO C C 178.134 0.3 1 7 1 2 PRO CA C 63.038 0.3 1 8 1 2 PRO CB C 32.231 0.3 1 9 1 2 PRO CG C 27.099 0.3 1 10 1 2 PRO CD C 49.7 0.3 1 11 2 3 THR H H 8.298 0.02 1 12 2 3 THR HA H 4.297 0.02 1 13 2 3 THR HB H 4.194 0.02 1 14 2 3 THR HG2 H 1.14 0.02 1 15 2 3 THR C C 175.491 0.3 1 16 2 3 THR CA C 61.718 0.3 1 17 2 3 THR CB C 69.716 0.3 1 18 2 3 THR CG2 C 21.621 0.3 1 19 2 3 THR N N 113.255 0.25 1 20 3 4 SER H H 8.186 0.02 1 21 3 4 SER HA H 4.341 0.02 1 22 3 4 SER HB2 H 3.774 0.02 2 23 3 4 SER HB3 H 3.774 0.02 2 24 3 4 SER C C 175.689 0.3 1 25 3 4 SER CA C 58.426 0.3 1 26 3 4 SER CB C 63.464 0.3 1 27 3 4 SER N N 116.729 0.25 1 28 4 5 LEU H H 8.209 0.02 1 29 4 5 LEU HA H 4.17 0.02 1 30 4 5 LEU HB2 H 1.536 0.02 2 31 4 5 LEU HB3 H 1.458 0.02 2 32 4 5 LEU HG H 1.527 0.02 1 33 4 5 LEU HD1 H 0.647 0.02 2 34 4 5 LEU HD2 H 0.742 0.02 2 35 4 5 LEU C C 178.262 0.3 1 36 4 5 LEU CA C 55.748 0.3 1 37 4 5 LEU CB C 42.292 0.3 1 38 4 5 LEU CG C 27.24 0.3 1 39 4 5 LEU CD1 C 25.076 0.3 2 40 4 5 LEU CD2 C 23.717 0.3 2 41 4 5 LEU N N 123.216 0.25 1 42 5 6 GLN H H 8.122 0.02 1 43 5 6 GLN HA H 4.212 0.02 1 44 5 6 GLN HB2 H 1.983 0.02 2 45 5 6 GLN HB3 H 1.92 0.02 2 46 5 6 GLN HG2 H 2.27 0.02 2 47 5 6 GLN HG3 H 2.27 0.02 2 48 5 6 GLN HE21 H 7.529 0.02 2 49 5 6 GLN C C 176.515 0.3 1 50 5 6 GLN CA C 56.089 0.3 1 51 5 6 GLN CB C 28.954 0.3 1 52 5 6 GLN CG C 34.096 0.3 1 53 5 6 GLN N N 119.279 0.25 1 54 6 7 LEU H H 7.916 0.02 1 55 6 7 LEU HA H 4.34 0.02 1 56 6 7 LEU HB2 H 1.519 0.02 2 57 6 7 LEU HB3 H 1.519 0.02 2 58 6 7 LEU HG H 1.482 0.02 1 59 6 7 LEU HD1 H 0.745 0.02 2 60 6 7 LEU HD2 H 0.799 0.02 2 61 6 7 LEU C C 178.069 0.3 1 62 6 7 LEU CA C 54.897 0.3 1 63 6 7 LEU CB C 42.38 0.3 1 64 6 7 LEU CG C 27.316 0.3 1 65 6 7 LEU CD1 C 23.449 0.3 2 66 6 7 LEU CD2 C 25.074 0.3 2 67 6 7 LEU N N 121.278 0.25 1 68 7 8 SER H H 8.041 0.02 1 69 7 8 SER HA H 4.881 0.02 1 70 7 8 SER HB2 H 3.629 0.02 2 71 7 8 SER HB3 H 3.805 0.02 2 72 7 8 SER C C 178.508 0.3 1 73 7 8 SER CA C 58.221 0.3 1 74 7 8 SER CB C 64.611 0.3 1 75 7 8 SER N N 117.668 0.25 1 76 8 9 ILE H H 8.597 0.02 1 77 8 9 ILE HA H 4.872 0.02 1 78 8 9 ILE HB H 1.415 0.02 1 79 8 9 ILE HG2 H 0.69 0.02 1 80 8 9 ILE HD1 H 0.689 0.02 1 81 8 9 ILE C C 176.351 0.3 1 82 8 9 ILE CA C 60.377 0.3 1 83 8 9 ILE CB C 41.401 0.3 1 84 8 9 ILE CG1 C 27.111 0.3 1 85 8 9 ILE CG2 C 17.871 0.3 1 86 8 9 ILE CD1 C 13.486 0.3 1 87 8 9 ILE N N 122.304 0.25 1 88 9 10 VAL H H 8.892 0.02 1 89 9 10 VAL HA H 4.606 0.02 1 90 9 10 VAL HB H 1.573 0.02 1 91 9 10 VAL HG1 H 0.595 0.02 2 92 9 10 VAL HG2 H 0.595 0.02 2 93 9 10 VAL C C 177.734 0.3 1 94 9 10 VAL CA C 59.038 0.3 1 95 9 10 VAL CB C 35.036 0.3 1 96 9 10 VAL CG1 C 21.477 0.3 2 97 9 10 VAL N N 122.955 0.25 1 98 13 14 PRO HA H 4.26 0.02 1 99 13 14 PRO HB2 H 2.089 0.02 2 100 13 14 PRO HB3 H 1.937 0.02 2 101 13 14 PRO HG2 H 1.941 0.02 2 102 13 14 PRO HG3 H 1.941 0.02 2 103 13 14 PRO C C 177.914 0.3 1 104 13 14 PRO CA C 64.22 0.3 1 105 13 14 PRO CB C 31.572 0.3 1 106 13 14 PRO CG C 27.662 0.3 1 107 14 15 GLN H H 7.35 0.02 1 108 14 15 GLN HA H 4.213 0.02 1 109 14 15 GLN HB2 H 1.753 0.02 2 110 14 15 GLN HB3 H 1.753 0.02 2 111 14 15 GLN HG2 H 1.959 0.02 2 112 14 15 GLN HG3 H 2.099 0.02 2 113 14 15 GLN C C 175.334 0.3 1 114 14 15 GLN CA C 55.48 0.3 1 115 14 15 GLN CB C 29.593 0.3 1 116 14 15 GLN CG C 34.208 0.3 1 117 14 15 GLN N N 116.078 0.25 1 118 15 16 ASN H H 8.592 0.02 1 119 15 16 ASN HA H 5.024 0.02 1 120 15 16 ASN HB2 H 2.703 0.02 2 121 15 16 ASN HB3 H 2.5 0.02 2 122 15 16 ASN HD21 H 6.977 0.02 2 123 15 16 ASN HD22 H 7.277 0.02 2 124 15 16 ASN C C 175.048 0.3 1 125 15 16 ASN CA C 53.281 0.3 1 126 15 16 ASN CB C 41.052 0.3 1 127 15 16 ASN N N 118.478 0.25 1 128 15 16 ASN ND2 N 111.004 0.25 1 129 16 17 TYR H H 8.449 0.02 1 130 16 17 TYR HA H 5.075 0.02 1 131 16 17 TYR HB2 H 2.512 0.02 2 132 16 17 TYR HB3 H 2.394 0.02 2 133 16 17 TYR HD1 H 6.651 0.02 3 134 16 17 TYR HD2 H 6.651 0.02 3 135 16 17 TYR HE1 H 6.601 0.02 3 136 16 17 TYR HE2 H 6.601 0.02 3 137 16 17 TYR C C 174.466 0.3 1 138 16 17 TYR CA C 57.002 0.3 1 139 16 17 TYR CB C 43.77 0.3 1 140 16 17 TYR CD1 C 132.787 0.3 3 141 16 17 TYR CE1 C 118.515 0.3 3 142 16 17 TYR N N 117.324 0.25 1 143 17 18 ARG H H 9.02 0.02 1 144 17 18 ARG HA H 4.654 0.02 1 145 17 18 ARG HB2 H 1.864 0.02 2 146 17 18 ARG HB3 H 1.656 0.02 2 147 17 18 ARG HG2 H 1.281 0.02 2 148 17 18 ARG HG3 H 1.362 0.02 2 149 17 18 ARG HD2 H 3.082 0.02 2 150 17 18 ARG HD3 H 2.989 0.02 2 151 17 18 ARG C C 175.987 0.3 1 152 17 18 ARG CA C 53.567 0.3 1 153 17 18 ARG CB C 33.929 0.3 1 154 17 18 ARG CG C 26.142 0.3 1 155 17 18 ARG CD C 43.887 0.3 1 156 17 18 ARG N N 114.446 0.25 1 157 18 19 TRP H H 8.198 0.02 1 158 18 19 TRP HA H 5.045 0.02 1 159 18 19 TRP HB2 H 2.999 0.02 2 160 18 19 TRP HB3 H 3.135 0.02 2 161 18 19 TRP HD1 H 7.34 0.02 1 162 18 19 TRP HE1 H 10.371 0.02 1 163 18 19 TRP HE3 H 7.758 0.02 1 164 18 19 TRP HZ2 H 7.343 0.02 1 165 18 19 TRP HH2 H 7.105 0.02 1 166 18 19 TRP C C 179.085 0.3 1 167 18 19 TRP CA C 56.36 0.3 1 168 18 19 TRP CB C 30.046 0.3 1 169 18 19 TRP CD1 C 129.054 0.3 1 170 18 19 TRP CE3 C 121.735 0.3 1 171 18 19 TRP CZ2 C 115.435 0.3 1 172 18 19 TRP N N 118.945 0.25 1 173 18 19 TRP NE1 N 129.562 0.25 1 174 19 20 SER H H 8.843 0.02 1 175 19 20 SER HA H 4.182 0.02 1 176 19 20 SER HB2 H 3.847 0.02 2 177 19 20 SER HB3 H 3.401 0.02 2 178 19 20 SER C C 175.922 0.3 1 179 19 20 SER CA C 59.252 0.3 1 180 19 20 SER CB C 63.755 0.3 1 181 19 20 SER N N 120.682 0.25 1 182 20 21 ALA H H 8.816 0.02 1 183 20 21 ALA HA H 4.092 0.02 1 184 20 21 ALA HB H 1.323 0.02 1 185 20 21 ALA C C 179.547 0.3 1 186 20 21 ALA CA C 54.024 0.3 1 187 20 21 ALA CB C 18.023 0.3 1 188 20 21 ALA N N 128.629 0.25 1 189 21 22 GLY H H 8.494 0.02 1 190 21 22 GLY HA2 H 3.806 0.02 2 191 21 22 GLY HA3 H 3.46 0.02 2 192 21 22 GLY C C 175.482 0.3 1 193 21 22 GLY CA C 45.1 0.3 1 194 21 22 GLY N N 109.991 0.25 1 195 22 23 PHE H H 8.142 0.02 1 196 22 23 PHE HA H 4.653 0.02 1 197 22 23 PHE HB2 H 3.496 0.02 2 198 22 23 PHE HB3 H 2.477 0.02 2 199 22 23 PHE HD1 H 7.021 0.02 3 200 22 23 PHE HD2 H 7.021 0.02 3 201 22 23 PHE HE1 H 7.235 0.02 3 202 22 23 PHE HE2 H 7.235 0.02 3 203 22 23 PHE C C 176.574 0.3 1 204 22 23 PHE CA C 56.981 0.3 1 205 22 23 PHE CB C 40.393 0.3 1 206 22 23 PHE CD1 C 132.482 0.3 3 207 22 23 PHE N N 117.788 0.25 1 208 23 24 ALA H H 8.118 0.02 1 209 23 24 ALA HA H 3.306 0.02 1 210 23 24 ALA HB H 0.852 0.02 1 211 23 24 ALA C C 179.076 0.3 1 212 23 24 ALA CA C 54.019 0.3 1 213 23 24 ALA CB C 16.841 0.3 1 214 23 24 ALA N N 123.76 0.25 1 215 24 25 GLY HA2 H 3.766 0.02 2 216 24 25 GLY HA3 H 2.481 0.02 2 217 24 25 GLY C C 174.561 0.3 1 218 24 25 GLY CA C 45.548 0.3 1 219 25 26 SER H H 8.107 0.02 1 220 25 26 SER HA H 4.75 0.02 1 221 25 26 SER HB2 H 3.683 0.02 2 222 25 26 SER HB3 H 3.835 0.02 2 223 25 26 SER C C 174.323 0.3 1 224 25 26 SER CA C 59.063 0.3 1 225 25 26 SER CB C 65.772 0.3 1 226 25 26 SER N N 112.185 0.25 1 227 26 27 LYS H H 8.131 0.02 1 228 26 27 LYS HA H 4.738 0.02 1 229 26 27 LYS HB2 H 1.673 0.02 2 230 26 27 LYS HB3 H 1.536 0.02 2 231 26 27 LYS HG2 H 1.236 0.02 2 232 26 27 LYS HG3 H 1.299 0.02 2 233 26 27 LYS HD2 H 1.209 0.02 2 234 26 27 LYS HD3 H 1 0.02 2 235 26 27 LYS HE3 H 2.462 0.02 2 236 26 27 LYS C C 175.828 0.3 1 237 26 27 LYS CA C 56.673 0.3 1 238 26 27 LYS CB C 36.223 0.3 1 239 26 27 LYS CG C 24.746 0.3 1 240 26 27 LYS CD C 29.201 0.3 1 241 26 27 LYS CE C 41.835 0.3 1 242 26 27 LYS N N 120.756 0.25 1 243 27 28 VAL H H 8.216 0.02 1 244 27 28 VAL HA H 5.073 0.02 1 245 27 28 VAL HB H 1.468 0.02 1 246 27 28 VAL HG1 H -0.412 0.02 2 247 27 28 VAL HG2 H 0.136 0.02 2 248 27 28 VAL C C 176.189 0.3 1 249 27 28 VAL CA C 58.755 0.3 1 250 27 28 VAL CB C 35.929 0.3 1 251 27 28 VAL CG1 C 21.795 0.3 2 252 27 28 VAL CG2 C 18.144 0.3 2 253 27 28 VAL N N 115.53 0.25 1 254 28 29 GLU H H 8.949 0.02 1 255 28 29 GLU HA H 4.996 0.02 1 256 28 29 GLU HB2 H 1.928 0.02 2 257 28 29 GLU HG2 H 1.928 0.02 2 258 28 29 GLU C C 173.337 0.3 1 259 28 29 GLU CA C 52.412 0.3 1 260 28 29 GLU CB C 31.187 0.3 1 261 28 29 GLU CG C 34.785 0.3 1 262 28 29 GLU N N 116.399 0.25 1 263 29 30 PRO HA H 3.953 0.02 1 264 29 30 PRO HB2 H 1.492 0.02 2 265 29 30 PRO HB3 H 1.548 0.02 2 266 29 30 PRO HG2 H 1.914 0.02 2 267 29 30 PRO HG3 H 1.805 0.02 2 268 29 30 PRO HD2 H 3.748 0.02 2 269 29 30 PRO HD3 H 3.647 0.02 2 270 29 30 PRO C C 175.606 0.3 1 271 29 30 PRO CA C 61.954 0.3 1 272 29 30 PRO CB C 31.418 0.3 1 273 29 30 PRO CG C 27.242 0.3 1 274 29 30 PRO CD C 50.355 0.3 1 275 30 31 ILE H H 8.041 0.02 1 276 30 31 ILE HA H 4.069 0.02 1 277 30 31 ILE HB H 1.445 0.02 1 278 30 31 ILE HG12 H 0.658 0.02 2 279 30 31 ILE HG13 H 1.249 0.02 2 280 30 31 ILE HG2 H 0.815 0.02 1 281 30 31 ILE HD1 H 0.753 0.02 1 282 30 31 ILE C C 173.709 0.3 1 283 30 31 ILE CA C 59.236 0.3 1 284 30 31 ILE CB C 38.792 0.3 1 285 30 31 ILE CG1 C 28.025 0.3 1 286 30 31 ILE CG2 C 16.597 0.3 1 287 30 31 ILE CD1 C 14.352 0.3 1 288 30 31 ILE N N 121.959 0.25 1 289 31 32 PRO HA H 4.269 0.02 1 290 31 32 PRO HB2 H 1.787 0.02 2 291 31 32 PRO HB3 H 2.235 0.02 2 292 31 32 PRO HG2 H 1.923 0.02 2 293 31 32 PRO HG3 H 1.923 0.02 2 294 31 32 PRO HD2 H 3.771 0.02 2 295 31 32 PRO HD3 H 3.534 0.02 2 296 31 32 PRO C C 177.757 0.3 1 297 31 32 PRO CA C 63.065 0.3 1 298 31 32 PRO CB C 32.104 0.3 1 299 31 32 PRO CG C 27.257 0.3 1 300 31 32 PRO CD C 50.773 0.3 1 301 32 33 GLN H H 8.528 0.02 1 302 32 33 GLN HA H 4.02 0.02 1 303 32 33 GLN HB2 H 1.943 0.02 2 304 32 33 GLN HB3 H 1.943 0.02 2 305 32 33 GLN HG2 H 2.3 0.02 2 306 32 33 GLN HG3 H 2.3 0.02 2 307 32 33 GLN C C 177.309 0.3 1 308 32 33 GLN CA C 57.351 0.3 1 309 32 33 GLN CB C 28.678 0.3 1 310 32 33 GLN CG C 33.952 0.3 1 311 32 33 GLN N N 120.306 0.25 1 312 33 34 ASN H H 8.467 0.02 1 313 33 34 ASN HA H 4.539 0.02 1 314 33 34 ASN HB2 H 2.816 0.02 2 315 33 34 ASN HB3 H 2.852 0.02 2 316 33 34 ASN HD21 H 6.819 0.02 2 317 33 34 ASN HD22 H 7.51 0.02 2 318 33 34 ASN C C 175.934 0.3 1 319 33 34 ASN CA C 53.557 0.3 1 320 33 34 ASN CB C 37.782 0.3 1 321 33 34 ASN N N 115.984 0.25 1 322 33 34 ASN ND2 N 111.704 0.25 1 323 34 35 GLY H H 7.98 0.02 1 324 34 35 GLY HA2 H 4.18 0.02 2 325 34 35 GLY HA3 H 3.591 0.02 2 326 34 35 GLY C C 172.283 0.3 1 327 34 35 GLY CA C 44.378 0.3 1 328 34 35 GLY N N 107.598 0.25 1 329 35 36 PRO HA H 4.364 0.02 1 330 35 36 PRO HB2 H 1.842 0.02 2 331 35 36 PRO HB3 H 2.162 0.02 2 332 35 36 PRO HG2 H 1.939 0.02 2 333 35 36 PRO HG3 H 1.939 0.02 2 334 35 36 PRO HD2 H 3.515 0.02 2 335 35 36 PRO HD3 H 3.515 0.02 2 336 35 36 PRO C C 177.948 0.3 1 337 35 36 PRO CA C 62.92 0.3 1 338 35 36 PRO CB C 31.901 0.3 1 339 35 36 PRO CG C 27.3 0.3 1 340 35 36 PRO CD C 49.621 0.3 1 341 36 37 CYS H H 8.52 0.02 1 342 36 37 CYS HA H 4.415 0.02 1 343 36 37 CYS HB2 H 2.808 0.02 2 344 36 37 CYS HB3 H 2.808 0.02 2 345 36 37 CYS C C 175.928 0.3 1 346 36 37 CYS CA C 58.668 0.3 1 347 36 37 CYS CB C 28.054 0.3 1 348 36 37 CYS N N 119.728 0.25 1 349 37 38 GLY H H 8.331 0.02 1 350 37 38 GLY HA2 H 3.891 0.02 2 351 37 38 GLY HA3 H 4.045 0.02 2 352 37 38 GLY C C 175.357 0.3 1 353 37 38 GLY CA C 44.974 0.3 1 354 37 38 GLY N N 109.72 0.25 1 355 38 39 ASP H H 8.453 0.02 1 356 38 39 ASP HA H 4.493 0.02 1 357 38 39 ASP HB2 H 2.543 0.02 2 358 38 39 ASP HB3 H 2.667 0.02 2 359 38 39 ASP C C 177.262 0.3 1 360 38 39 ASP CA C 55.342 0.3 1 361 38 39 ASP CB C 41.025 0.3 1 362 38 39 ASP N N 119.755 0.25 1 363 39 40 ASN H H 8.403 0.02 1 364 39 40 ASN HA H 4.915 0.02 1 365 39 40 ASN HB2 H 2.837 0.02 2 366 39 40 ASN HB3 H 2.883 0.02 2 367 39 40 ASN C C 175.836 0.3 1 368 39 40 ASN CA C 52.93 0.3 1 369 39 40 ASN CB C 38.304 0.3 1 370 39 40 ASN N N 116.072 0.25 1 371 40 41 SER H H 7.849 0.02 1 372 40 41 SER HA H 4.654 0.02 1 373 40 41 SER HB2 H 3.972 0.02 2 374 40 41 SER HB3 H 3.873 0.02 2 375 40 41 SER C C 173.697 0.3 1 376 40 41 SER CA C 58.72 0.3 1 377 40 41 SER CB C 64.724 0.3 1 378 40 41 SER N N 114.51 0.25 1 379 41 42 LEU H H 9.185 0.02 1 380 41 42 LEU HA H 5.11 0.02 1 381 41 42 LEU HB2 H 1.158 0.02 2 382 41 42 LEU HB3 H 1.22 0.02 2 383 41 42 LEU HG H 1.097 0.02 1 384 41 42 LEU HD1 H -0.848 0.02 2 385 41 42 LEU HD2 H 0.38 0.02 2 386 41 42 LEU C C 174.406 0.3 1 387 41 42 LEU CA C 53.406 0.3 1 388 41 42 LEU CB C 46.423 0.3 1 389 41 42 LEU CG C 26.626 0.3 1 390 41 42 LEU CD1 C 24.147 0.3 2 391 41 42 LEU CD2 C 22.34 0.3 2 392 41 42 LEU N N 119.154 0.25 1 393 42 43 VAL H H 9.234 0.02 1 394 42 43 VAL HA H 4.385 0.02 1 395 42 43 VAL HB H 1.604 0.02 1 396 42 43 VAL HG1 H 0.707 0.02 2 397 42 43 VAL HG2 H 0.629 0.02 2 398 42 43 VAL C C 173.706 0.3 1 399 42 43 VAL CA C 60.188 0.3 1 400 42 43 VAL CB C 34.311 0.3 1 401 42 43 VAL CG1 C 21.179 0.3 2 402 42 43 VAL CG2 C 20.924 0.3 2 403 42 43 VAL N N 121.312 0.25 1 404 43 44 ALA H H 9.477 0.02 1 405 43 44 ALA HA H 4.232 0.02 1 406 43 44 ALA HB H 0.497 0.02 1 407 43 44 ALA C C 176.711 0.3 1 408 43 44 ALA CA C 49.46 0.3 1 409 43 44 ALA CB C 23.015 0.3 1 410 43 44 ALA N N 127.249 0.25 1 411 44 45 LEU H H 8.594 0.02 1 412 44 45 LEU HA H 4.748 0.02 1 413 44 45 LEU HB2 H 0.771 0.02 2 414 44 45 LEU HB3 H 1.529 0.02 2 415 44 45 LEU HG H 1.309 0.02 1 416 44 45 LEU HD1 H 0.751 0.02 2 417 44 45 LEU HD2 H 0.471 0.02 2 418 44 45 LEU CA C 53.007 0.3 1 419 44 45 LEU CB C 43.031 0.3 1 420 44 45 LEU CG C 27.157 0.3 1 421 44 45 LEU CD1 C 23.805 0.3 2 422 44 45 LEU CD2 C 23.579 0.3 2 423 44 45 LEU N N 120.699 0.25 1 424 47 48 LEU H H 8.937 0.02 1 425 47 48 LEU HA H 4.295 0.02 1 426 47 48 LEU HB2 H 1.195 0.02 2 427 47 48 LEU HB3 H 1.338 0.02 2 428 47 48 LEU HG H 1.301 0.02 1 429 47 48 LEU HD1 H 0.515 0.02 2 430 47 48 LEU HD2 H 0.718 0.02 2 431 47 48 LEU C C 178.318 0.3 1 432 47 48 LEU CA C 55.081 0.3 1 433 47 48 LEU CB C 42.948 0.3 1 434 47 48 LEU CG C 27.033 0.3 1 435 47 48 LEU CD1 C 22.806 0.3 2 436 47 48 LEU CD2 C 25.591 0.3 2 437 47 48 LEU N N 124.266 0.25 1 438 48 49 SER H H 7.363 0.02 1 439 48 49 SER HA H 4.35 0.02 1 440 48 49 SER HB2 H 3.449 0.02 2 441 48 49 SER HB3 H 3.604 0.02 2 442 48 49 SER C C 176.617 0.3 1 443 48 49 SER CA C 55.397 0.3 1 444 48 49 SER CB C 64.765 0.3 1 445 48 49 SER N N 111.805 0.25 1 446 49 50 PRO HA H 4.775 0.02 1 447 49 50 PRO HB2 H 2.127 0.02 2 448 49 50 PRO HB3 H 2.336 0.02 2 449 49 50 PRO HG2 H 1.823 0.02 2 450 49 50 PRO HD2 H 3.539 0.02 2 451 49 50 PRO C C 176.664 0.3 1 452 49 50 PRO CA C 62.774 0.3 1 453 49 50 PRO CB C 34.375 0.3 1 454 49 50 PRO CG C 24.831 0.3 1 455 49 50 PRO CD C 49.859 0.3 1 456 50 51 ASP H H 7.989 0.02 1 457 50 51 ASP HA H 4.675 0.02 1 458 50 51 ASP HB2 H 2.586 0.02 2 459 50 51 ASP HB3 H 2.877 0.02 2 460 50 51 ASP C C 177.698 0.3 1 461 50 51 ASP CA C 52.212 0.3 1 462 50 51 ASP CB C 42.839 0.3 1 463 50 51 ASP N N 115.592 0.25 1 464 51 52 GLY H H 8.414 0.02 1 465 51 52 GLY HA2 H 3.968 0.02 2 466 51 52 GLY HA3 H 3.968 0.02 2 467 51 52 GLY C C 177.235 0.3 1 468 51 52 GLY CA C 46.095 0.3 1 469 51 52 GLY N N 105.986 0.25 1 470 52 53 ASP H H 8.82 0.02 1 471 52 53 ASP HA H 4.524 0.02 1 472 52 53 ASP HB2 H 2.615 0.02 2 473 52 53 ASP HB3 H 2.72 0.02 2 474 52 53 ASP C C 179.29 0.3 1 475 52 53 ASP CA C 57.331 0.3 1 476 52 53 ASP CB C 40.689 0.3 1 477 52 53 ASP N N 122.618 0.25 1 478 53 54 ASN H H 8.546 0.02 1 479 53 54 ASN HA H 4.682 0.02 1 480 53 54 ASN HB2 H 2.709 0.02 2 481 53 54 ASN HB3 H 2.855 0.02 2 482 53 54 ASN HD21 H 7.59 0.02 2 483 53 54 ASN HD22 H 6.907 0.02 2 484 53 54 ASN C C 177.104 0.3 1 485 53 54 ASN CA C 54.381 0.3 1 486 53 54 ASN CB C 38.277 0.3 1 487 53 54 ASN N N 115.607 0.25 1 488 53 54 ASN ND2 N 111.523 0.25 1 489 54 55 ALA H H 7.483 0.02 1 490 54 55 ALA HA H 3.59 0.02 1 491 54 55 ALA HB H 1.194 0.02 1 492 54 55 ALA C C 179.743 0.3 1 493 54 55 ALA CA C 55.191 0.3 1 494 54 55 ALA CB C 18.933 0.3 1 495 54 55 ALA N N 121.518 0.25 1 496 55 56 TRP H H 7.52 0.02 1 497 55 56 TRP HA H 3.638 0.02 1 498 55 56 TRP HB2 H 3.203 0.02 2 499 55 56 TRP HB3 H 3.182 0.02 2 500 55 56 TRP HD1 H 7.456 0.02 1 501 55 56 TRP HE1 H 10.306 0.02 1 502 55 56 TRP HE3 H 7.315 0.02 1 503 55 56 TRP HZ2 H 7.188 0.02 1 504 55 56 TRP HZ3 H 6.848 0.02 1 505 55 56 TRP HH2 H 6.833 0.02 1 506 55 56 TRP C C 178.436 0.3 1 507 55 56 TRP CA C 61.283 0.3 1 508 55 56 TRP CB C 27.939 0.3 1 509 55 56 TRP CD1 C 127.392 0.3 1 510 55 56 TRP CE3 C 120.446 0.3 1 511 55 56 TRP CZ2 C 114.129 0.3 1 512 55 56 TRP CZ3 C 122.39 0.3 1 513 55 56 TRP CH2 C 124.052 0.3 1 514 55 56 TRP N N 115.484 0.25 1 515 55 56 TRP NE1 N 129.044 0.25 1 516 56 57 SER H H 7.791 0.02 1 517 56 57 SER HA H 4.249 0.02 1 518 56 57 SER HB2 H 3.947 0.02 2 519 56 57 SER HB3 H 3.981 0.02 2 520 56 57 SER C C 178.845 0.3 1 521 56 57 SER CA C 61.339 0.3 1 522 56 57 SER CB C 62.623 0.3 1 523 56 57 SER N N 112.525 0.25 1 524 57 58 VAL H H 7.842 0.02 1 525 57 58 VAL HA H 3.524 0.02 1 526 57 58 VAL HB H 1.972 0.02 1 527 57 58 VAL HG1 H 0.769 0.02 2 528 57 58 VAL HG2 H 0.929 0.02 2 529 57 58 VAL C C 178.925 0.3 1 530 57 58 VAL CA C 66.702 0.3 1 531 57 58 VAL CB C 31.626 0.3 1 532 57 58 VAL CG1 C 21.16 0.3 2 533 57 58 VAL CG2 C 22.628 0.3 2 534 57 58 VAL N N 120.834 0.25 1 535 58 59 MET H H 8.067 0.02 1 536 58 59 MET HA H 4.005 0.02 1 537 58 59 MET HB2 H 1.533 0.02 2 538 58 59 MET HB3 H 1.586 0.02 2 539 58 59 MET HG2 H 1.953 0.02 2 540 58 59 MET HG3 H 1.618 0.02 2 541 58 59 MET HE H 1.709 0.02 1 542 58 59 MET C C 179.995 0.3 1 543 58 59 MET CA C 58.064 0.3 1 544 58 59 MET CB C 31.708 0.3 1 545 58 59 MET CG C 31.992 0.3 1 546 58 59 MET CE C 18.779 0.3 1 547 58 59 MET N N 116.902 0.25 1 548 59 60 TYR H H 8.488 0.02 1 549 59 60 TYR HA H 4.413 0.02 1 550 59 60 TYR HB2 H 3.12 0.02 2 551 59 60 TYR HB3 H 3.02 0.02 2 552 59 60 TYR HD1 H 7.189 0.02 3 553 59 60 TYR HD2 H 7.189 0.02 3 554 59 60 TYR HE1 H 6.87 0.02 3 555 59 60 TYR HE2 H 6.87 0.02 3 556 59 60 TYR C C 180.578 0.3 1 557 59 60 TYR CA C 61.384 0.3 1 558 59 60 TYR CB C 37.123 0.3 1 559 59 60 TYR CD1 C 132.955 0.3 3 560 59 60 TYR CE1 C 117.883 0.3 3 561 59 60 TYR N N 117.599 0.25 1 562 60 61 LYS H H 7.769 0.02 1 563 60 61 LYS HA H 4.061 0.02 1 564 60 61 LYS HB2 H 1.905 0.02 2 565 60 61 LYS HB3 H 2.056 0.02 2 566 60 61 LYS HG2 H 1.637 0.02 2 567 60 61 LYS HG3 H 1.428 0.02 2 568 60 61 LYS HD2 H 1.664 0.02 2 569 60 61 LYS HE2 H 2.925 0.02 2 570 60 61 LYS C C 180.766 0.3 1 571 60 61 LYS CA C 59.324 0.3 1 572 60 61 LYS CB C 31.973 0.3 1 573 60 61 LYS CG C 25.216 0.3 1 574 60 61 LYS CD C 29.16 0.3 1 575 60 61 LYS CE C 42.125 0.3 1 576 60 61 LYS N N 121.017 0.25 1 577 61 62 LEU H H 8.248 0.02 1 578 61 62 LEU HA H 3.687 0.02 1 579 61 62 LEU HB2 H 1.917 0.02 2 580 61 62 LEU HB3 H 1.052 0.02 2 581 61 62 LEU HG H 1.897 0.02 1 582 61 62 LEU HD1 H 0.657 0.02 2 583 61 62 LEU HD2 H 0.565 0.02 2 584 61 62 LEU C C 179.35 0.3 1 585 61 62 LEU CA C 57.55 0.3 1 586 61 62 LEU CB C 40.328 0.3 1 587 61 62 LEU CG C 26.641 0.3 1 588 61 62 LEU CD1 C 25.12 0.3 2 589 61 62 LEU CD2 C 22.18 0.3 2 590 61 62 LEU N N 119.376 0.25 1 591 62 63 SER H H 8.371 0.02 1 592 62 63 SER HA H 4.14 0.02 1 593 62 63 SER HB2 H 3.887 0.02 2 594 62 63 SER HB3 H 3.797 0.02 2 595 62 63 SER C C 178.583 0.3 1 596 62 63 SER CA C 61.005 0.3 1 597 62 63 SER CB C 62.681 0.3 1 598 62 63 SER N N 112.997 0.25 1 599 63 64 GLN H H 7.696 0.02 1 600 63 64 GLN HA H 3.927 0.02 1 601 63 64 GLN HB2 H 2.104 0.02 2 602 63 64 GLN HB3 H 2.068 0.02 2 603 63 64 GLN HG2 H 2.249 0.02 2 604 63 64 GLN HG3 H 2.283 0.02 2 605 63 64 GLN C C 178.351 0.3 1 606 63 64 GLN CA C 58.189 0.3 1 607 63 64 GLN CB C 28.246 0.3 1 608 63 64 GLN CG C 33.925 0.3 1 609 63 64 GLN N N 121.719 0.25 1 610 64 65 ALA H H 7.468 0.02 1 611 64 65 ALA HA H 4.079 0.02 1 612 64 65 ALA HB H 0.804 0.02 1 613 64 65 ALA C C 181.846 0.3 1 614 64 65 ALA CA C 54.503 0.3 1 615 64 65 ALA CB C 16.485 0.3 1 616 64 65 ALA N N 120.369 0.25 1 617 65 66 LEU H H 7.475 0.02 1 618 65 66 LEU HA H 4.057 0.02 1 619 65 66 LEU HB2 H 1.514 0.02 2 620 65 66 LEU HB3 H 2.066 0.02 2 621 65 66 LEU HG H 1.719 0.02 1 622 65 66 LEU HD1 H 0.665 0.02 2 623 65 66 LEU HD2 H 0.712 0.02 2 624 65 66 LEU C C 180.017 0.3 1 625 65 66 LEU CA C 57.019 0.3 1 626 65 66 LEU CB C 39.706 0.3 1 627 65 66 LEU CG C 26.731 0.3 1 628 65 66 LEU CD1 C 23.678 0.3 2 629 65 66 LEU CD2 C 25.9 0.3 2 630 65 66 LEU N N 116.457 0.25 1 631 66 67 SER H H 8.398 0.02 1 632 66 67 SER HA H 4.085 0.02 1 633 66 67 SER HB2 H 3.947 0.02 2 634 66 67 SER HB3 H 3.975 0.02 2 635 66 67 SER C C 179.803 0.3 1 636 66 67 SER CA C 61.749 0.3 1 637 66 67 SER CB C 62.379 0.3 1 638 66 67 SER N N 117.915 0.25 1 639 67 68 ASP H H 8.102 0.02 1 640 67 68 ASP HA H 4.399 0.02 1 641 67 68 ASP HB2 H 2.733 0.02 2 642 67 68 ASP HB3 H 2.643 0.02 2 643 67 68 ASP C C 178.72 0.3 1 644 67 68 ASP CA C 57.101 0.3 1 645 67 68 ASP CB C 41.19 0.3 1 646 67 68 ASP N N 120.03 0.25 1 647 68 69 ILE H H 7.091 0.02 1 648 68 69 ILE HA H 4.63 0.02 1 649 68 69 ILE HB H 2.158 0.02 1 650 68 69 ILE HG12 H 1.103 0.02 2 651 68 69 ILE HG13 H 1.571 0.02 2 652 68 69 ILE HG2 H 0.818 0.02 1 653 68 69 ILE HD1 H 0.767 0.02 1 654 68 69 ILE C C 175.273 0.3 1 655 68 69 ILE CA C 60.593 0.3 1 656 68 69 ILE CB C 37.475 0.3 1 657 68 69 ILE CG1 C 27.781 0.3 1 658 68 69 ILE CG2 C 17.642 0.3 1 659 68 69 ILE CD1 C 16.152 0.3 1 660 68 69 ILE N N 109.303 0.25 1 661 69 70 GLU H H 7.83 0.02 1 662 69 70 GLU HA H 3.737 0.02 1 663 69 70 GLU HB2 H 2.188 0.02 2 664 69 70 GLU HB3 H 2.15 0.02 2 665 69 70 GLU HG2 H 2.056 0.02 2 666 69 70 GLU C C 176.313 0.3 1 667 69 70 GLU CA C 57.198 0.3 1 668 69 70 GLU CB C 26.427 0.3 1 669 69 70 GLU CG C 36.862 0.3 1 670 69 70 GLU N N 113.736 0.25 1 671 70 71 VAL H H 7.634 0.02 1 672 70 71 VAL HA H 4.371 0.02 1 673 70 71 VAL HB H 1.784 0.02 1 674 70 71 VAL HG1 H 0.834 0.02 2 675 70 71 VAL HG2 H 0.773 0.02 2 676 70 71 VAL C C 174.479 0.3 1 677 70 71 VAL CA C 59.582 0.3 1 678 70 71 VAL CB C 32.836 0.3 1 679 70 71 VAL CG1 C 21.513 0.3 2 680 70 71 VAL CG2 C 21.561 0.3 2 681 70 71 VAL N N 120.263 0.25 1 682 71 72 PRO HA H 4.361 0.02 1 683 71 72 PRO HB2 H 2.231 0.02 2 684 71 72 PRO HB3 H 1.936 0.02 2 685 71 72 PRO HG2 H 1.905 0.02 2 686 71 72 PRO HG3 H 2.105 0.02 2 687 71 72 PRO HD2 H 3.775 0.02 2 688 71 72 PRO HD3 H 3.957 0.02 2 689 71 72 PRO C C 177.033 0.3 1 690 71 72 PRO CA C 62.571 0.3 1 691 71 72 PRO CB C 32.121 0.3 1 692 71 72 PRO CG C 27.301 0.3 1 693 71 72 PRO CD C 51.285 0.3 1 694 72 73 CYS H H 8.005 0.02 1 695 72 73 CYS HA H 5.365 0.02 1 696 72 73 CYS HB2 H 2.97 0.02 2 697 72 73 CYS HB3 H 2.509 0.02 2 698 72 73 CYS C C 174.407 0.3 1 699 72 73 CYS CA C 56.459 0.3 1 700 72 73 CYS CB C 30.939 0.3 1 701 72 73 CYS N N 114.885 0.25 1 702 73 74 SER H H 8.247 0.02 1 703 73 74 SER HA H 5.008 0.02 1 704 73 74 SER HB2 H 3.619 0.02 2 705 73 74 SER HB3 H 3.951 0.02 2 706 73 74 SER C C 173.219 0.3 1 707 73 74 SER CA C 57.797 0.3 1 708 73 74 SER CB C 66.48 0.3 1 709 73 74 SER N N 115.108 0.25 1 710 74 75 VAL H H 8.795 0.02 1 711 74 75 VAL HA H 5.048 0.02 1 712 74 75 VAL HB H 2.058 0.02 1 713 74 75 VAL HG1 H 0.765 0.02 2 714 74 75 VAL HG2 H 0.637 0.02 2 715 74 75 VAL C C 176.369 0.3 1 716 74 75 VAL CA C 61.416 0.3 1 717 74 75 VAL CB C 32.327 0.3 1 718 74 75 VAL CG1 C 21.707 0.3 2 719 74 75 VAL CG2 C 21.67 0.3 2 720 74 75 VAL N N 124.902 0.25 1 721 75 76 LEU H H 8.855 0.02 1 722 75 76 LEU HA H 4.928 0.02 1 723 75 76 LEU HB2 H 1.669 0.02 2 724 75 76 LEU HB3 H 1.594 0.02 2 725 75 76 LEU HG H 1.537 0.02 1 726 75 76 LEU HD1 H 0.964 0.02 2 727 75 76 LEU HD2 H 0.584 0.02 2 728 75 76 LEU C C 176.385 0.3 1 729 75 76 LEU CA C 53.361 0.3 1 730 75 76 LEU CB C 46.349 0.3 1 731 75 76 LEU CG C 27.389 0.3 1 732 75 76 LEU CD1 C 24.503 0.3 2 733 75 76 LEU CD2 C 25.726 0.3 2 734 75 76 LEU N N 125.772 0.25 1 735 76 77 GLU H H 8.704 0.02 1 736 76 77 GLU HA H 4.359 0.02 1 737 76 77 GLU HB2 H 2.05 0.02 2 738 76 77 GLU HG2 H 2.062 0.02 2 739 76 77 GLU C C 176.897 0.3 1 740 76 77 GLU CA C 57.066 0.3 1 741 76 77 GLU CB C 30.584 0.3 1 742 76 77 GLU CG C 36.878 0.3 1 743 76 77 GLU N N 120.536 0.25 1 744 77 78 CYS H H 9.115 0.02 1 745 77 78 CYS HA H 4.424 0.02 1 746 77 78 CYS HB2 H 2.733 0.02 2 747 77 78 CYS HB3 H 2.543 0.02 2 748 77 78 CYS C C 174.989 0.3 1 749 77 78 CYS CA C 58.719 0.3 1 750 77 78 CYS CB C 28.486 0.3 1 751 77 78 CYS N N 126.264 0.25 1 752 78 79 GLU H H 9.428 0.02 1 753 78 79 GLU HA H 3.818 0.02 1 754 78 79 GLU HB2 H 1.983 0.02 2 755 78 79 GLU HB3 H 2.112 0.02 2 756 78 79 GLU HG2 H 2.357 0.02 2 757 78 79 GLU HG3 H 2.212 0.02 2 758 78 79 GLU C C 177.867 0.3 1 759 78 79 GLU CA C 57.033 0.3 1 760 78 79 GLU CB C 26.844 0.3 1 761 78 79 GLU CG C 36.318 0.3 1 762 78 79 GLU N N 125.686 0.25 1 763 79 80 GLY H H 8.7 0.02 1 764 79 80 GLY HA2 H 4.142 0.02 2 765 79 80 GLY HA3 H 3.654 0.02 2 766 79 80 GLY C C 174.905 0.3 1 767 79 80 GLY CA C 45.486 0.3 1 768 79 80 GLY N N 102.506 0.25 1 769 80 81 GLU H H 7.448 0.02 1 770 80 81 GLU HA H 4.855 0.02 1 771 80 81 GLU HB2 H 1.47 0.02 2 772 80 81 GLU HG3 H 2.163 0.02 2 773 80 81 GLU C C 173.479 0.3 1 774 80 81 GLU CA C 52.841 0.3 1 775 80 81 GLU CB C 31.827 0.3 1 776 80 81 GLU CG C 36.084 0.3 1 777 80 81 GLU N N 118.011 0.25 1 778 83 84 LEU HA H 4.744 0.02 1 779 83 84 LEU HB2 H 1.339 0.02 2 780 83 84 LEU HB3 H 1.437 0.02 2 781 83 84 LEU HG H 1.297 0.02 1 782 83 84 LEU HD1 H 0.595 0.02 2 783 83 84 LEU HD2 H 0.47 0.02 2 784 83 84 LEU C C 175.963 0.3 1 785 83 84 LEU CA C 53.182 0.3 1 786 83 84 LEU CB C 44.817 0.3 1 787 83 84 LEU CG C 26.883 0.3 1 788 83 84 LEU CD1 C 25.798 0.3 2 789 83 84 LEU CD2 C 25.081 0.3 2 790 84 85 PHE H H 9.04 0.02 1 791 84 85 PHE HA H 5.311 0.02 1 792 84 85 PHE HB2 H 2.584 0.02 2 793 84 85 PHE HB3 H 2.329 0.02 2 794 84 85 PHE HD1 H 6.557 0.02 3 795 84 85 PHE HD2 H 6.557 0.02 3 796 84 85 PHE HE1 H 6.268 0.02 3 797 84 85 PHE HE2 H 6.268 0.02 3 798 84 85 PHE HZ H 6.55 0.02 1 799 84 85 PHE C C 177.342 0.3 1 800 84 85 PHE CA C 56.927 0.3 1 801 84 85 PHE CB C 41.344 0.3 1 802 84 85 PHE CD1 C 130.971 0.3 3 803 84 85 PHE CE1 C 128.735 0.3 3 804 84 85 PHE N N 121.264 0.25 1 805 85 86 VAL H H 8.53 0.02 1 806 85 86 VAL HA H 4.604 0.02 1 807 85 86 VAL HB H 2.096 0.02 1 808 85 86 VAL HG1 H 0.448 0.02 2 809 85 86 VAL HG2 H 0.698 0.02 2 810 85 86 VAL C C 175.523 0.3 1 811 85 86 VAL CA C 58.339 0.3 1 812 85 86 VAL CB C 35.282 0.3 1 813 85 86 VAL CG1 C 18.289 0.3 2 814 85 86 VAL CG2 C 21.583 0.3 2 815 85 86 VAL N N 114.392 0.25 1 816 86 87 ASN H H 10.092 0.02 1 817 86 87 ASN HA H 4.7 0.02 1 818 86 87 ASN HB2 H 2.861 0.02 2 819 86 87 ASN HB3 H 2.742 0.02 2 820 86 87 ASN HD21 H 7.739 0.02 2 821 86 87 ASN HD22 H 7.09 0.02 2 822 86 87 ASN C C 179.1 0.3 1 823 86 87 ASN CA C 54.326 0.3 1 824 86 87 ASN CB C 38.25 0.3 1 825 86 87 ASN N N 122.283 0.25 1 826 86 87 ASN ND2 N 112.093 0.25 1 827 87 88 ARG H H 8.877 0.02 1 828 87 88 ARG HA H 3.808 0.02 1 829 87 88 ARG HB2 H 1.746 0.02 2 830 87 88 ARG HG2 H 1.555 0.02 2 831 87 88 ARG HD2 H 3.021 0.02 2 832 87 88 ARG HD3 H 3.074 0.02 2 833 87 88 ARG C C 180.146 0.3 1 834 87 88 ARG CA C 60.166 0.3 1 835 87 88 ARG CB C 29.621 0.3 1 836 87 88 ARG CG C 27.168 0.3 1 837 87 88 ARG CD C 43.374 0.3 1 838 87 88 ARG N N 123.714 0.25 1 839 88 89 GLN H H 9.192 0.02 1 840 88 89 GLN HA H 4.188 0.02 1 841 88 89 GLN HB2 H 2.06 0.02 2 842 88 89 GLN HB3 H 2.04 0.02 2 843 88 89 GLN HG2 H 2.439 0.02 2 844 88 89 GLN HG3 H 2.339 0.02 2 845 88 89 GLN HE21 H 7.644 0.02 2 846 88 89 GLN HE22 H 6.909 0.02 2 847 88 89 GLN C C 177.544 0.3 1 848 88 89 GLN CA C 58.174 0.3 1 849 88 89 GLN CB C 28.054 0.3 1 850 88 89 GLN CG C 33.396 0.3 1 851 88 89 GLN N N 116.109 0.25 1 852 88 89 GLN NE2 N 111.413 0.25 1 853 89 90 ASP H H 7.906 0.02 1 854 89 90 ASP HA H 5.075 0.02 1 855 89 90 ASP HB2 H 2.996 0.02 2 856 89 90 ASP HB3 H 2.685 0.02 2 857 89 90 ASP C C 176.7 0.3 1 858 89 90 ASP CA C 54.139 0.3 1 859 89 90 ASP CB C 42.619 0.3 1 860 89 90 ASP N N 116.885 0.25 1 861 90 91 GLU H H 7.531 0.02 1 862 90 91 GLU HA H 3.444 0.02 1 863 90 91 GLU HB2 H 1.956 0.02 2 864 90 91 GLU HB3 H 1.975 0.02 2 865 90 91 GLU HG2 H 2.093 0.02 2 866 90 91 GLU C C 179.041 0.3 1 867 90 91 GLU CA C 61.21 0.3 1 868 90 91 GLU CB C 29.499 0.3 1 869 90 91 GLU CG C 35.858 0.3 1 870 90 91 GLU N N 120.436 0.25 1 871 91 92 PHE H H 8.916 0.02 1 872 91 92 PHE HA H 4.245 0.02 1 873 91 92 PHE HB2 H 3.13 0.02 2 874 91 92 PHE HB3 H 3.046 0.02 2 875 91 92 PHE HD1 H 7.204 0.02 3 876 91 92 PHE HD2 H 7.204 0.02 3 877 91 92 PHE C C 178.495 0.3 1 878 91 92 PHE CA C 61.787 0.3 1 879 91 92 PHE CB C 38.03 0.3 1 880 91 92 PHE CD1 C 132.777 0.3 3 881 91 92 PHE N N 120.729 0.25 1 882 92 93 ALA H H 8.592 0.02 1 883 92 93 ALA HA H 3.845 0.02 1 884 92 93 ALA HB H 1.388 0.02 1 885 92 93 ALA C C 182.203 0.3 1 886 92 93 ALA CA C 55.068 0.3 1 887 92 93 ALA CB C 18.134 0.3 1 888 92 93 ALA N N 122.511 0.25 1 889 93 94 ALA H H 8.724 0.02 1 890 93 94 ALA HA H 3.841 0.02 1 891 93 94 ALA HB H 1.275 0.02 1 892 93 94 ALA C C 179.789 0.3 1 893 93 94 ALA CA C 54.771 0.3 1 894 93 94 ALA CB C 18.747 0.3 1 895 93 94 ALA N N 117.304 0.25 1 896 94 95 THR H H 8.524 0.02 1 897 94 95 THR HA H 3.51 0.02 1 898 94 95 THR HB H 4.144 0.02 1 899 94 95 THR HG2 H 1.125 0.02 1 900 94 95 THR C C 177.558 0.3 1 901 94 95 THR CA C 67.179 0.3 1 902 94 95 THR CB C 68.186 0.3 1 903 94 95 THR CG2 C 21.298 0.3 1 904 94 95 THR N N 112.071 0.25 1 905 95 96 CYS H H 8.009 0.02 1 906 95 96 CYS HA H 3.8 0.02 1 907 95 96 CYS HB2 H 2.55 0.02 2 908 95 96 CYS HB3 H 2.629 0.02 2 909 95 96 CYS C C 177.852 0.3 1 910 95 96 CYS CA C 63.477 0.3 1 911 95 96 CYS CB C 26.405 0.3 1 912 95 96 CYS N N 118.435 0.25 1 913 96 97 ARG H H 7.519 0.02 1 914 96 97 ARG HA H 4.04 0.02 1 915 96 97 ARG HB2 H 1.951 0.02 2 916 96 97 ARG HB3 H 1.857 0.02 2 917 96 97 ARG HG2 H 1.545 0.02 2 918 96 97 ARG HD2 H 3.072 0.02 2 919 96 97 ARG HD3 H 3.003 0.02 2 920 96 97 ARG HE H 7.136 0.02 1 921 96 97 ARG C C 178.899 0.3 1 922 96 97 ARG CA C 57.334 0.3 1 923 96 97 ARG CB C 29.511 0.3 1 924 96 97 ARG CG C 26.764 0.3 1 925 96 97 ARG CD C 42.929 0.3 1 926 96 97 ARG N N 118.333 0.25 1 927 96 97 ARG NE N 83.581 0.25 1 928 97 98 LEU H H 8.138 0.02 1 929 97 98 LEU HA H 3.839 0.02 1 930 97 98 LEU HB2 H 1.724 0.02 2 931 97 98 LEU HB3 H 1.113 0.02 2 932 97 98 LEU HG H 1.892 0.02 1 933 97 98 LEU HD1 H 0.587 0.02 2 934 97 98 LEU HD2 H 0.777 0.02 2 935 97 98 LEU C C 180.388 0.3 1 936 97 98 LEU CA C 58.04 0.3 1 937 97 98 LEU CB C 40.091 0.3 1 938 97 98 LEU CG C 26.683 0.3 1 939 97 98 LEU CD1 C 23.092 0.3 2 940 97 98 LEU CD2 C 21.743 0.3 2 941 97 98 LEU N N 116.644 0.25 1 942 98 99 LYS H H 8.065 0.02 1 943 98 99 LYS HA H 4.361 0.02 1 944 98 99 LYS HB2 H 1.828 0.02 2 945 98 99 LYS HG2 H 1.588 0.02 2 946 98 99 LYS HG3 H 1.419 0.02 2 947 98 99 LYS HD2 H 1.595 0.02 2 948 98 99 LYS HE2 H 2.874 0.02 2 949 98 99 LYS HE3 H 2.827 0.02 2 950 98 99 LYS C C 181.635 0.3 1 951 98 99 LYS CA C 59.717 0.3 1 952 98 99 LYS CB C 32.011 0.3 1 953 98 99 LYS CG C 25.302 0.3 1 954 98 99 LYS CD C 29.459 0.3 1 955 98 99 LYS CE C 41.923 0.3 1 956 98 99 LYS N N 118.457 0.25 1 957 99 100 ASN H H 7.815 0.02 1 958 99 100 ASN HA H 4.45 0.02 1 959 99 100 ASN HB2 H 2.725 0.02 2 960 99 100 ASN HB3 H 2.869 0.02 2 961 99 100 ASN HD21 H 7.114 0.02 2 962 99 100 ASN HD22 H 6.833 0.02 2 963 99 100 ASN C C 176.938 0.3 1 964 99 100 ASN CA C 55.523 0.3 1 965 99 100 ASN CB C 38.451 0.3 1 966 99 100 ASN N N 117.747 0.25 1 967 99 100 ASN ND2 N 110.906 0.25 1 968 100 101 PHE H H 7.93 0.02 1 969 100 101 PHE HA H 4.414 0.02 1 970 100 101 PHE HB2 H 2.888 0.02 2 971 100 101 PHE HB3 H 3.264 0.02 2 972 100 101 PHE HD1 H 7.132 0.02 3 973 100 101 PHE HD2 H 7.132 0.02 3 974 100 101 PHE HE1 H 6.802 0.02 3 975 100 101 PHE HE2 H 6.802 0.02 3 976 100 101 PHE C C 176.32 0.3 1 977 100 101 PHE CA C 58.144 0.3 1 978 100 101 PHE CB C 39.643 0.3 1 979 100 101 PHE CD1 C 131.243 0.3 3 980 100 101 PHE N N 118.572 0.25 1 981 101 102 GLY H H 7.745 0.02 1 982 101 102 GLY HA2 H 4.093 0.02 2 983 101 102 GLY HA3 H 3.615 0.02 2 984 101 102 GLY C C 174.62 0.3 1 985 101 102 GLY CA C 45.565 0.3 1 986 101 102 GLY N N 104.907 0.25 1 987 102 103 VAL H H 7.413 0.02 1 988 102 103 VAL HA H 3.979 0.02 1 989 102 103 VAL HB H 1.562 0.02 1 990 102 103 VAL HG1 H 0.782 0.02 2 991 102 103 VAL HG2 H 0.619 0.02 2 992 102 103 VAL C C 175.927 0.3 1 993 102 103 VAL CA C 61.643 0.3 1 994 102 103 VAL CB C 32.24 0.3 1 995 102 103 VAL CG1 C 22.56 0.3 2 996 102 103 VAL CG2 C 21.67 0.3 2 997 102 103 VAL N N 119.933 0.25 1 998 103 104 ALA H H 8.15 0.02 1 999 103 104 ALA HA H 4.473 0.02 1 1000 103 104 ALA HB H 1.293 0.02 1 1001 103 104 ALA C C 176.576 0.3 1 1002 103 104 ALA CA C 50.818 0.3 1 1003 103 104 ALA CB C 20.382 0.3 1 1004 103 104 ALA N N 127.985 0.25 1 1005 104 105 ILE H H 8.247 0.02 1 1006 104 105 ILE HA H 4.611 0.02 1 1007 104 105 ILE HB H 1.736 0.02 1 1008 104 105 ILE HG12 H 1.268 0.02 2 1009 104 105 ILE HG13 H 1.06 0.02 2 1010 104 105 ILE HG2 H 0.717 0.02 1 1011 104 105 ILE HD1 H 0.589 0.02 1 1012 104 105 ILE C C 177.116 0.3 1 1013 104 105 ILE CA C 58.864 0.3 1 1014 104 105 ILE CB C 37.674 0.3 1 1015 104 105 ILE CG1 C 27.425 0.3 1 1016 104 105 ILE CG2 C 17.115 0.3 1 1017 104 105 ILE CD1 C 12.27 0.3 1 1018 104 105 ILE N N 120.674 0.25 1 1019 105 106 ALA H H 8.891 0.02 1 1020 105 106 ALA HA H 4.304 0.02 1 1021 105 106 ALA HB H 1.112 0.02 1 1022 105 106 ALA C C 177.402 0.3 1 1023 105 106 ALA CA C 51.477 0.3 1 1024 105 106 ALA CB C 19.726 0.3 1 1025 105 106 ALA N N 130.227 0.25 1 1026 106 107 GLU H H 8.292 0.02 1 1027 106 107 GLU HA H 4.482 0.02 1 1028 106 107 GLU HB2 H 1.762 0.02 2 1029 106 107 GLU HB3 H 1.945 0.02 2 1030 106 107 GLU HG2 H 2.206 0.02 2 1031 106 107 GLU C C 175.464 0.3 1 1032 106 107 GLU CA C 53.671 0.3 1 1033 106 107 GLU CB C 29.581 0.3 1 1034 106 107 GLU CG C 35.949 0.3 1 1035 106 107 GLU N N 120.311 0.25 1 1036 107 108 PRO HA H 4.191 0.02 1 1037 107 108 PRO HB2 H 1.989 0.02 2 1038 107 108 PRO HB3 H 1.612 0.02 2 1039 107 108 PRO HG2 H 1.941 0.02 2 1040 107 108 PRO HG3 H 1.761 0.02 2 1041 107 108 PRO HD2 H 3.487 0.02 2 1042 107 108 PRO HD3 H 3.575 0.02 2 1043 107 108 PRO C C 177.627 0.3 1 1044 107 108 PRO CA C 62.933 0.3 1 1045 107 108 PRO CB C 31.837 0.3 1 1046 107 108 PRO CG C 27.199 0.3 1 1047 107 108 PRO CD C 50.153 0.3 1 1048 108 109 PHE H H 8.104 0.02 1 1049 108 109 PHE HA H 4.512 0.02 1 1050 108 109 PHE HB2 H 2.981 0.02 2 1051 108 109 PHE HB3 H 3.085 0.02 2 1052 108 109 PHE HD1 H 7.149 0.02 3 1053 108 109 PHE HD2 H 7.149 0.02 3 1054 108 109 PHE C C 176.664 0.3 1 1055 108 109 PHE CA C 57.514 0.3 1 1056 108 109 PHE CB C 38.991 0.3 1 1057 108 109 PHE CD1 C 131.515 0.3 3 1058 108 109 PHE N N 118.002 0.25 1 1059 109 110 SER H H 7.994 0.02 1 1060 109 110 SER HA H 4.299 0.02 1 1061 109 110 SER HB2 H 3.653 0.02 2 1062 109 110 SER HB3 H 3.706 0.02 2 1063 109 110 SER C C 174.823 0.3 1 1064 109 110 SER CA C 58.036 0.3 1 1065 109 110 SER CB C 63.945 0.3 1 1066 109 110 SER N N 115.476 0.25 1 1067 110 111 ASN H H 8.231 0.02 1 1068 110 111 ASN HA H 4.543 0.02 1 1069 110 111 ASN HB2 H 2.578 0.02 2 1070 110 111 ASN HB3 H 2.663 0.02 2 1071 110 111 ASN C C 175.392 0.3 1 1072 110 111 ASN CA C 53.117 0.3 1 1073 110 111 ASN CB C 38.772 0.3 1 1074 110 111 ASN N N 119.39 0.25 1 1075 111 112 TYR H H 7.953 0.02 1 1076 111 112 TYR HA H 4.412 0.02 1 1077 111 112 TYR HB2 H 2.797 0.02 2 1078 111 112 TYR HB3 H 2.839 0.02 2 1079 111 112 TYR HD1 H 6.95 0.02 3 1080 111 112 TYR HD2 H 6.95 0.02 3 1081 111 112 TYR HE1 H 6.677 0.02 3 1082 111 112 TYR HE2 H 6.677 0.02 3 1083 111 112 TYR C C 175.594 0.3 1 1084 111 112 TYR CA C 57.734 0.3 1 1085 111 112 TYR CB C 38.195 0.3 1 1086 111 112 TYR CD1 C 133.123 0.3 3 1087 111 112 TYR CE1 C 118.106 0.3 3 1088 111 112 TYR N N 119.52 0.25 1 1089 112 113 ASN H H 8.119 0.02 1 1090 112 113 ASN HA H 4.778 0.02 1 1091 112 113 ASN HB2 H 2.45 0.02 2 1092 112 113 ASN HB3 H 2.55 0.02 2 1093 112 113 ASN HD21 H 6.712 0.02 2 1094 112 113 ASN HD22 H 7.418 0.02 2 1095 112 113 ASN C C 173.729 0.3 1 1096 112 113 ASN CA C 50.554 0.3 1 1097 112 113 ASN CB C 39.211 0.3 1 1098 112 113 ASN N N 121.602 0.25 1 1099 112 113 ASN ND2 N 111.772 0.25 1 1100 113 114 PRO HA H 4.193 0.02 1 1101 113 114 PRO HB2 H 1.708 0.02 2 1102 113 114 PRO HB3 H 1.945 0.02 2 1103 113 114 PRO HG2 H 1.718 0.02 2 1104 113 114 PRO HG3 H 1.51 0.02 2 1105 113 114 PRO HD2 H 3.253 0.02 2 1106 113 114 PRO HD3 H 3.408 0.02 2 1107 113 114 PRO C C 176.344 0.3 1 1108 113 114 PRO CA C 63.298 0.3 1 1109 113 114 PRO CB C 31.572 0.3 1 1110 113 114 PRO CG C 26.62 0.3 1 1111 113 114 PRO CD C 50.046 0.3 1 1112 114 115 PHE H H 7.366 0.02 1 1113 114 115 PHE HA H 4.308 0.02 1 1114 114 115 PHE HB2 H 2.868 0.02 2 1115 114 115 PHE HB3 H 3.056 0.02 2 1116 114 115 PHE HD1 H 7.129 0.02 3 1117 114 115 PHE HD2 H 7.129 0.02 3 1118 114 115 PHE C C 181.097 0.3 1 1119 114 115 PHE CA C 58.833 0.3 1 1120 114 115 PHE CB C 40.091 0.3 1 1121 114 115 PHE CD1 C 131.292 0.3 3 1122 114 115 PHE N N 123.045 0.25 1 stop_ save_