data_34052 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CsgF in DHPC micelles ; _BMRB_accession_number 34052 _BMRB_flat_file_name bmr34052.str _Entry_type original _Submission_date 2016-10-10 _Accession_date 2016-10-10 _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 Spehr J. . . 2 Schubeis T. . . 3 Ahmed M. . . 4 Ritter C. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 565 "13C chemical shifts" 428 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-17 update BMRB 'update entry citation' 2017-10-16 update author 'update sample buffer' 2017-10-05 original author 'original release' stop_ _Original_release_date 2017-10-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and functional characterization of the Curli adaptor protein CsgF. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29427517 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schubeis Tobias . . 2 Spehr Johannes . . 3 Viereck Janika . . 4 Kopping Laura . . 5 Nagaraj Madhu . . 6 Ahmed Mumdooh . . 7 Ritter Christiane . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 592 _Journal_issue 6 _Journal_ISSN 1873-3468 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1020 _Page_last 1029 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Curli production assembly/transport component CsgF' _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 13947.131 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MAGTMTFQFRNPNFGGNPNN GAFLLNSAQAQNSYKDPSYN DDFGIETPSALDNFTQAIQS QILGGLLSNINTGKPGRMVT NDYIVDIANRDGQLQLNVTD RKTGQTSTIQVSGLQNNSTD FHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 THR 5 MET 6 THR 7 PHE 8 GLN 9 PHE 10 ARG 11 ASN 12 PRO 13 ASN 14 PHE 15 GLY 16 GLY 17 ASN 18 PRO 19 ASN 20 ASN 21 GLY 22 ALA 23 PHE 24 LEU 25 LEU 26 ASN 27 SER 28 ALA 29 GLN 30 ALA 31 GLN 32 ASN 33 SER 34 TYR 35 LYS 36 ASP 37 PRO 38 SER 39 TYR 40 ASN 41 ASP 42 ASP 43 PHE 44 GLY 45 ILE 46 GLU 47 THR 48 PRO 49 SER 50 ALA 51 LEU 52 ASP 53 ASN 54 PHE 55 THR 56 GLN 57 ALA 58 ILE 59 GLN 60 SER 61 GLN 62 ILE 63 LEU 64 GLY 65 GLY 66 LEU 67 LEU 68 SER 69 ASN 70 ILE 71 ASN 72 THR 73 GLY 74 LYS 75 PRO 76 GLY 77 ARG 78 MET 79 VAL 80 THR 81 ASN 82 ASP 83 TYR 84 ILE 85 VAL 86 ASP 87 ILE 88 ALA 89 ASN 90 ARG 91 ASP 92 GLY 93 GLN 94 LEU 95 GLN 96 LEU 97 ASN 98 VAL 99 THR 100 ASP 101 ARG 102 LYS 103 THR 104 GLY 105 GLN 106 THR 107 SER 108 THR 109 ILE 110 GLN 111 VAL 112 SER 113 GLY 114 LEU 115 GLN 116 ASN 117 ASN 118 SER 119 THR 120 ASP 121 PHE 122 HIS 123 HIS 124 HIS 125 HIS 126 HIS 127 HIS 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 'E. coli' 83333 Bacteria . Escherichia coli K12 'csgF, b1038, JW1021' 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 . pET11d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '400 uM [U-13C; U-15N] CsgF, 94% H2O/6% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 400 uM '[U-13C; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' DHPC 100 mM 'natural abundance' NaN3 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _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_4 _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _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_HCC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 310 . K stop_ save_ save_sample_conditions_2 _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 310 . 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 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external 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 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D HCC(CO)NH' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC' '3D 1H-13C NOESY aromatic' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY' 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 4 4 THR H H 8.192 0.020 1 2 4 4 THR HA H 4.383 0.020 1 3 4 4 THR C C 174.869 0.3 1 4 4 4 THR CA C 62.466 0.3 1 5 4 4 THR CB C 70.187 0.3 1 6 4 4 THR N N 114.070 0.3 1 7 5 5 MET H H 8.486 0.020 1 8 5 5 MET HA H 4.567 0.020 1 9 5 5 MET HB2 H 2.015 0.020 1 10 5 5 MET HB3 H 2.015 0.020 1 11 5 5 MET HG2 H 2.538 0.020 2 12 5 5 MET HG3 H 2.486 0.020 2 13 5 5 MET C C 176.003 0.3 1 14 5 5 MET CA C 55.871 0.3 1 15 5 5 MET CB C 33.447 0.3 1 16 5 5 MET CG C 32.400 0.3 1 17 5 5 MET N N 122.848 0.3 1 18 6 6 THR H H 8.124 0.020 1 19 6 6 THR HA H 4.364 0.020 1 20 6 6 THR HB H 4.107 0.020 1 21 6 6 THR HG2 H 1.125 0.020 1 22 6 6 THR C C 174.177 0.3 1 23 6 6 THR CA C 62.089 0.3 1 24 6 6 THR CB C 70.293 0.3 1 25 6 6 THR CG2 C 21.824 0.3 1 26 6 6 THR N N 115.401 0.3 1 27 7 7 PHE H H 8.237 0.020 1 28 7 7 PHE HB2 H 2.986 0.020 2 29 7 7 PHE HB3 H 2.945 0.020 2 30 7 7 PHE C C 175.208 0.3 1 31 7 7 PHE CA C 57.895 0.3 1 32 7 7 PHE CB C 40.072 0.3 1 33 7 7 PHE N N 121.882 0.3 1 34 8 8 GLN H H 8.183 0.020 1 35 8 8 GLN HA H 4.356 0.020 1 36 8 8 GLN HB2 H 1.943 0.020 2 37 8 8 GLN HB3 H 1.845 0.020 2 38 8 8 GLN HG2 H 2.192 0.020 1 39 8 8 GLN HG3 H 2.192 0.020 1 40 8 8 GLN CA C 55.584 0.3 1 41 8 8 GLN CB C 30.283 0.3 1 42 8 8 GLN CG C 34.031 0.3 1 43 8 8 GLN N N 121.444 0.3 1 44 9 9 PHE H H 8.194 0.020 1 45 9 9 PHE C C 175.443 0.3 1 46 9 9 PHE CA C 57.968 0.3 1 47 9 9 PHE CB C 39.891 0.3 1 48 9 9 PHE N N 121.074 0.3 1 49 10 10 ARG H H 8.159 0.020 1 50 10 10 ARG HA H 4.322 0.020 1 51 10 10 ARG HB2 H 1.780 0.020 2 52 10 10 ARG HB3 H 1.687 0.020 2 53 10 10 ARG HG2 H 1.520 0.020 1 54 10 10 ARG HG3 H 1.520 0.020 1 55 10 10 ARG HD2 H 3.129 0.020 1 56 10 10 ARG HD3 H 3.129 0.020 1 57 10 10 ARG C C 175.369 0.3 1 58 10 10 ARG CA C 55.743 0.3 1 59 10 10 ARG CB C 31.504 0.3 1 60 10 10 ARG N N 121.505 0.3 1 61 11 11 ASN H H 8.360 0.020 1 62 11 11 ASN CA C 51.460 0.3 1 63 11 11 ASN CB C 38.700 0.3 1 64 11 11 ASN N N 120.820 0.3 1 65 13 13 ASN H H 8.296 0.020 1 66 13 13 ASN HA H 4.682 0.020 1 67 13 13 ASN HB2 H 2.654 0.020 2 68 13 13 ASN HB3 H 2.789 0.020 2 69 13 13 ASN C C 175.292 0.3 1 70 13 13 ASN CA C 53.557 0.3 1 71 13 13 ASN CB C 39.006 0.3 1 72 13 13 ASN N N 117.249 0.3 1 73 14 14 PHE H H 8.025 0.020 1 74 14 14 PHE HA H 4.665 0.020 1 75 14 14 PHE HB2 H 3.209 0.020 2 76 14 14 PHE HB3 H 3.069 0.020 2 77 14 14 PHE C C 176.397 0.3 1 78 14 14 PHE CA C 58.257 0.3 1 79 14 14 PHE CB C 39.385 0.3 1 80 14 14 PHE N N 120.322 0.3 1 81 15 15 GLY H H 8.290 0.020 1 82 15 15 GLY C C 174.690 0.3 1 83 15 15 GLY CA C 45.599 0.3 1 84 15 15 GLY N N 110.287 0.3 1 85 16 16 GLY H H 7.849 0.020 1 86 16 16 GLY HA2 H 3.917 0.020 1 87 16 16 GLY HA3 H 3.917 0.020 1 88 16 16 GLY C C 173.682 0.3 1 89 16 16 GLY CA C 45.314 0.3 1 90 16 16 GLY N N 107.728 0.3 1 91 17 17 ASN H H 8.279 0.020 1 92 17 17 ASN HA H 4.992 0.020 1 93 17 17 ASN HB2 H 2.863 0.020 2 94 17 17 ASN HB3 H 2.690 0.020 2 95 17 17 ASN CA C 51.435 0.3 1 96 17 17 ASN CB C 39.326 0.3 1 97 17 17 ASN N N 119.267 0.3 1 98 18 18 PRO HA H 4.378 0.020 1 99 18 18 PRO HB2 H 1.839 0.020 2 100 18 18 PRO HB3 H 2.199 0.020 2 101 18 18 PRO HG2 H 1.987 0.020 2 102 18 18 PRO HG3 H 1.972 0.020 2 103 18 18 PRO HD2 H 3.750 0.020 2 104 18 18 PRO HD3 H 3.815 0.020 2 105 18 18 PRO CA C 64.114 0.3 1 106 18 18 PRO CB C 32.230 0.3 1 107 18 18 PRO CG C 27.353 0.3 1 108 18 18 PRO CD C 50.913 0.3 1 109 19 19 ASN H H 8.327 0.020 1 110 19 19 ASN HB2 H 2.858 0.020 2 111 19 19 ASN HB3 H 2.761 0.020 2 112 19 19 ASN C C 175.465 0.3 1 113 19 19 ASN CA C 53.702 0.3 1 114 19 19 ASN CB C 38.879 0.3 1 115 19 19 ASN N N 118.006 0.3 1 116 20 20 ASN H H 8.191 0.020 1 117 20 20 ASN HB2 H 2.846 0.020 1 118 20 20 ASN HB3 H 2.846 0.020 1 119 20 20 ASN C C 176.037 0.3 1 120 20 20 ASN CA C 53.863 0.3 1 121 20 20 ASN CB C 39.096 0.3 1 122 20 20 ASN N N 118.585 0.3 1 123 21 21 GLY H H 8.336 0.020 1 124 21 21 GLY HA2 H 3.899 0.020 1 125 21 21 GLY HA3 H 3.899 0.020 1 126 21 21 GLY C C 174.300 0.3 1 127 21 21 GLY CA C 45.897 0.3 1 128 21 21 GLY N N 108.617 0.3 1 129 22 22 ALA H H 7.994 0.020 1 130 22 22 ALA HA H 4.260 0.020 1 131 22 22 ALA HB H 1.302 0.020 1 132 22 22 ALA C C 177.816 0.3 1 133 22 22 ALA CA C 53.113 0.3 1 134 22 22 ALA CB C 19.346 0.3 1 135 22 22 ALA N N 122.999 0.3 1 136 23 23 PHE H H 8.068 0.020 1 137 23 23 PHE HA H 4.596 0.020 1 138 23 23 PHE HB2 H 3.162 0.020 2 139 23 23 PHE HB3 H 3.082 0.020 2 140 23 23 PHE C C 175.899 0.3 1 141 23 23 PHE CA C 58.257 0.3 1 142 23 23 PHE CB C 39.602 0.3 1 143 23 23 PHE N N 118.035 0.3 1 144 24 24 LEU H H 7.969 0.020 1 145 24 24 LEU HA H 4.301 0.020 1 146 24 24 LEU HB2 H 1.544 0.020 1 147 24 24 LEU HB3 H 1.544 0.020 1 148 24 24 LEU HG H 1.516 0.020 1 149 24 24 LEU HD1 H 0.898 0.020 2 150 24 24 LEU HD2 H 0.850 0.020 2 151 24 24 LEU C C 177.241 0.3 1 152 24 24 LEU CA C 55.654 0.3 1 153 24 24 LEU CB C 42.669 0.3 1 154 24 24 LEU CG C 27.112 0.3 1 155 24 24 LEU CD1 C 25.250 0.3 1 156 24 24 LEU CD2 C 23.968 0.3 1 157 24 24 LEU N N 122.059 0.3 1 158 25 25 LEU H H 7.993 0.020 1 159 25 25 LEU HA H 4.309 0.020 1 160 25 25 LEU HB2 H 1.622 0.020 1 161 25 25 LEU HB3 H 1.622 0.020 1 162 25 25 LEU HG H 1.624 0.020 1 163 25 25 LEU C C 177.314 0.3 1 164 25 25 LEU CA C 55.654 0.3 1 165 25 25 LEU CB C 42.566 0.3 1 166 25 25 LEU CG C 27.323 0.3 1 167 25 25 LEU N N 121.173 0.3 1 168 26 26 ASN H H 8.271 0.020 1 169 26 26 ASN C C 175.823 0.3 1 170 26 26 ASN CA C 53.609 0.3 1 171 26 26 ASN CB C 39.115 0.3 1 172 26 26 ASN N N 118.507 0.3 1 173 27 27 SER H H 8.181 0.020 1 174 27 27 SER HA H 4.393 0.020 1 175 27 27 SER HB2 H 3.855 0.020 1 176 27 27 SER HB3 H 3.855 0.020 1 177 27 27 SER C C 174.965 0.3 1 178 27 27 SER CA C 59.269 0.3 1 179 27 27 SER CB C 64.041 0.3 1 180 27 27 SER N N 115.881 0.3 1 181 28 28 ALA H H 8.256 0.020 1 182 28 28 ALA HA H 4.301 0.020 1 183 28 28 ALA HB H 1.424 0.020 1 184 28 28 ALA C C 178.289 0.3 1 185 28 28 ALA CA C 53.299 0.3 1 186 28 28 ALA CB C 19.224 0.3 1 187 28 28 ALA N N 125.235 0.3 1 188 29 29 GLN H H 8.122 0.020 1 189 29 29 GLN HA H 4.315 0.020 1 190 29 29 GLN HB2 H 2.131 0.020 2 191 29 29 GLN HB3 H 2.001 0.020 2 192 29 29 GLN HG2 H 2.373 0.020 1 193 29 29 GLN HG3 H 2.373 0.020 1 194 29 29 GLN C C 176.395 0.3 1 195 29 29 GLN CA C 56.377 0.3 1 196 29 29 GLN CB C 29.528 0.3 1 197 29 29 GLN CG C 34.191 0.3 1 198 29 29 GLN N N 118.140 0.3 1 199 30 30 ALA H H 8.122 0.020 1 200 30 30 ALA HA H 4.298 0.020 1 201 30 30 ALA HB H 1.419 0.020 1 202 30 30 ALA C C 178.161 0.3 1 203 30 30 ALA CA C 53.195 0.3 1 204 30 30 ALA CB C 19.370 0.3 1 205 30 30 ALA N N 124.209 0.3 1 206 31 31 GLN H H 8.236 0.020 1 207 31 31 GLN HA H 4.307 0.020 1 208 31 31 GLN HB2 H 2.139 0.020 2 209 31 31 GLN HB3 H 2.017 0.020 2 210 31 31 GLN HG2 H 2.391 0.020 1 211 31 31 GLN HG3 H 2.391 0.020 1 212 31 31 GLN C C 176.216 0.3 1 213 31 31 GLN CA C 56.382 0.3 1 214 31 31 GLN CB C 29.407 0.3 1 215 31 31 GLN CG C 33.860 0.3 1 216 31 31 GLN N N 118.580 0.3 1 217 32 32 ASN H H 8.323 0.020 1 218 32 32 ASN C C 175.490 0.3 1 219 32 32 ASN CA C 53.723 0.3 1 220 32 32 ASN CB C 39.232 0.3 1 221 32 32 ASN N N 119.038 0.3 1 222 33 33 SER H H 8.140 0.020 1 223 33 33 SER HA H 4.422 0.020 1 224 33 33 SER HB2 H 3.812 0.020 1 225 33 33 SER HB3 H 3.812 0.020 1 226 33 33 SER C C 174.350 0.3 1 227 33 33 SER CA C 58.908 0.3 1 228 33 33 SER CB C 64.114 0.3 1 229 33 33 SER N N 115.632 0.3 1 230 34 34 TYR H H 8.101 0.020 1 231 34 34 TYR HA H 4.522 0.020 1 232 34 34 TYR HB2 H 2.982 0.020 1 233 34 34 TYR HB3 H 2.982 0.020 1 234 34 34 TYR C C 175.502 0.3 1 235 34 34 TYR CA C 58.401 0.3 1 236 34 34 TYR CB C 39.023 0.3 1 237 34 34 TYR N N 121.694 0.3 1 238 35 35 LYS H H 7.865 0.020 1 239 35 35 LYS HA H 4.256 0.020 1 240 35 35 LYS HB2 H 1.720 0.020 2 241 35 35 LYS HB3 H 1.639 0.020 2 242 35 35 LYS HG2 H 1.303 0.020 1 243 35 35 LYS HG3 H 1.303 0.020 1 244 35 35 LYS HD2 H 1.612 0.020 1 245 35 35 LYS HD3 H 1.612 0.020 1 246 35 35 LYS HE2 H 2.957 0.020 1 247 35 35 LYS HE3 H 2.957 0.020 1 248 35 35 LYS CA C 55.798 0.3 1 249 35 35 LYS CB C 33.708 0.3 1 250 35 35 LYS CG C 24.663 0.3 1 251 35 35 LYS CD C 29.239 0.3 1 252 35 35 LYS CE C 42.378 0.3 1 253 35 35 LYS N N 123.043 0.3 1 254 36 36 ASP H H 8.194 0.020 1 255 36 36 ASP HA H 4.787 0.020 1 256 36 36 ASP HB2 H 2.754 0.020 2 257 36 36 ASP HB3 H 2.582 0.020 2 258 36 36 ASP C C 175.400 0.3 1 259 36 36 ASP CA C 52.545 0.3 1 260 36 36 ASP CB C 41.621 0.3 1 261 36 36 ASP N N 123.539 0.3 1 262 37 37 PRO HA H 4.435 0.020 1 263 37 37 PRO HB2 H 2.262 0.020 2 264 37 37 PRO HB3 H 1.938 0.020 2 265 37 37 PRO HG2 H 2.032 0.020 1 266 37 37 PRO HG3 H 2.032 0.020 1 267 37 37 PRO HD2 H 3.819 0.020 2 268 37 37 PRO HD3 H 3.910 0.020 2 269 37 37 PRO CA C 64.056 0.3 1 270 37 37 PRO CB C 32.330 0.3 1 271 37 37 PRO CG C 27.365 0.3 1 272 37 37 PRO CD C 51.221 0.3 1 273 38 38 SER H H 8.483 0.020 1 274 38 38 SER HA H 4.373 0.020 1 275 38 38 SER HB2 H 3.814 0.020 1 276 38 38 SER HB3 H 3.814 0.020 1 277 38 38 SER C C 174.619 0.3 1 278 38 38 SER CA C 59.124 0.3 1 279 38 38 SER CB C 64.041 0.3 1 280 38 38 SER N N 115.096 0.3 1 281 39 39 TYR H H 7.941 0.020 1 282 39 39 TYR HA H 4.596 0.020 1 283 39 39 TYR HB2 H 3.079 0.020 1 284 39 39 TYR HB3 H 3.079 0.020 1 285 39 39 TYR C C 175.617 0.3 1 286 39 39 TYR CA C 58.474 0.3 1 287 39 39 TYR CB C 39.235 0.3 1 288 39 39 TYR N N 121.649 0.3 1 289 40 40 ASN H H 8.115 0.020 1 290 40 40 ASN HA H 4.682 0.020 1 291 40 40 ASN HB2 H 2.771 0.020 2 292 40 40 ASN HB3 H 2.664 0.020 2 293 40 40 ASN C C 174.902 0.3 1 294 40 40 ASN CA C 53.412 0.3 1 295 40 40 ASN CB C 39.650 0.3 1 296 40 40 ASN N N 120.455 0.3 1 297 41 41 ASP H H 8.119 0.020 1 298 41 41 ASP HA H 4.533 0.020 1 299 41 41 ASP HB2 H 2.603 0.020 1 300 41 41 ASP HB3 H 2.603 0.020 1 301 41 41 ASP C C 176.114 0.3 1 302 41 41 ASP CA C 54.929 0.3 1 303 41 41 ASP CB C 41.442 0.3 1 304 41 41 ASP N N 120.886 0.3 1 305 42 42 ASP H H 8.121 0.020 1 306 42 42 ASP HA H 4.551 0.020 1 307 42 42 ASP HB2 H 2.564 0.020 1 308 42 42 ASP HB3 H 2.564 0.020 1 309 42 42 ASP C C 176.499 0.3 1 310 42 42 ASP CA C 54.786 0.3 1 311 42 42 ASP CB C 41.409 0.3 1 312 42 42 ASP N N 119.791 0.3 1 313 43 43 PHE H H 8.154 0.020 1 314 43 43 PHE HA H 4.579 0.020 1 315 43 43 PHE HB2 H 3.194 0.020 2 316 43 43 PHE HB3 H 3.052 0.020 2 317 43 43 PHE CA C 58.401 0.3 1 318 43 43 PHE CB C 39.385 0.3 1 319 43 43 PHE N N 119.738 0.3 1 320 44 44 GLY H H 8.267 0.020 1 321 44 44 GLY HA2 H 3.916 0.020 1 322 44 44 GLY HA3 H 3.916 0.020 1 323 44 44 GLY C C 174.317 0.3 1 324 44 44 GLY CA C 45.892 0.3 1 325 44 44 GLY N N 109.709 0.3 1 326 45 45 ILE H H 7.872 0.020 1 327 45 45 ILE HA H 4.215 0.020 1 328 45 45 ILE HB H 1.896 0.020 1 329 45 45 ILE HG12 H 1.452 0.020 2 330 45 45 ILE HG13 H 1.171 0.020 2 331 45 45 ILE HG2 H 0.917 0.020 1 332 45 45 ILE HD1 H 0.855 0.020 1 333 45 45 ILE C C 176.330 0.3 1 334 45 45 ILE CA C 61.294 0.3 1 335 45 45 ILE CB C 39.250 0.3 1 336 45 45 ILE CG1 C 27.540 0.3 1 337 45 45 ILE CG2 C 17.844 0.3 1 338 45 45 ILE CD1 C 13.510 0.3 1 339 45 45 ILE N N 119.064 0.3 1 340 46 46 GLU H H 8.490 0.020 1 341 46 46 GLU HA H 4.377 0.020 1 342 46 46 GLU HB2 H 2.064 0.020 2 343 46 46 GLU HB3 H 1.954 0.020 2 344 46 46 GLU HG2 H 2.294 0.020 2 345 46 46 GLU HG3 H 2.240 0.020 2 346 46 46 GLU C C 176.538 0.3 1 347 46 46 GLU CA C 56.811 0.3 1 348 46 46 GLU CB C 30.616 0.3 1 349 46 46 GLU CG C 36.431 0.3 1 350 46 46 GLU N N 124.294 0.3 1 351 47 47 THR H H 8.180 0.020 1 352 47 47 THR HA H 4.601 0.020 1 353 47 47 THR HB H 4.199 0.020 1 354 47 47 THR HG2 H 1.255 0.020 1 355 47 47 THR C C 173.216 0.3 1 356 47 47 THR CA C 60.354 0.3 1 357 47 47 THR CB C 69.972 0.3 1 358 47 47 THR CG2 C 21.871 0.3 1 359 47 47 THR N N 117.416 0.3 1 360 48 48 PRO HB2 H 2.346 0.020 2 361 48 48 PRO HB3 H 1.967 0.020 2 362 48 48 PRO HG2 H 2.077 0.020 2 363 48 48 PRO HG3 H 2.003 0.020 2 364 48 48 PRO HD2 H 3.859 0.020 2 365 48 48 PRO HD3 H 3.725 0.020 2 366 48 48 PRO CA C 63.767 0.3 1 367 48 48 PRO CB C 32.081 0.3 1 368 48 48 PRO CG C 27.775 0.3 1 369 48 48 PRO CD C 51.368 0.3 1 370 49 49 SER H H 8.511 0.020 1 371 49 49 SER HA H 4.481 0.020 1 372 49 49 SER HB2 H 4.058 0.020 2 373 49 49 SER HB3 H 3.940 0.020 2 374 49 49 SER C C 175.369 0.3 1 375 49 49 SER CA C 58.614 0.3 1 376 49 49 SER CB C 64.321 0.3 1 377 49 49 SER N N 116.301 0.3 1 378 50 50 ALA H H 8.482 0.020 1 379 50 50 ALA HA H 4.315 0.020 1 380 50 50 ALA HB H 1.467 0.020 1 381 50 50 ALA C C 179.286 0.3 1 382 50 50 ALA CA C 54.221 0.3 1 383 50 50 ALA CB C 19.138 0.3 1 384 50 50 ALA N N 125.510 0.3 1 385 51 51 LEU H H 8.195 0.020 1 386 51 51 LEU HA H 4.284 0.020 1 387 51 51 LEU HB2 H 1.702 0.020 1 388 51 51 LEU HB3 H 1.702 0.020 1 389 51 51 LEU HG H 1.714 0.020 1 390 51 51 LEU HD1 H 0.891 0.020 2 391 51 51 LEU HD2 H 0.946 0.020 2 392 51 51 LEU C C 178.620 0.3 1 393 51 51 LEU CA C 56.934 0.3 1 394 51 51 LEU CB C 42.191 0.3 1 395 51 51 LEU CG C 27.432 0.3 1 396 51 51 LEU CD1 C 24.618 0.3 1 397 51 51 LEU CD2 C 24.891 0.3 1 398 51 51 LEU N N 118.621 0.3 1 399 52 52 ASP H H 8.066 0.020 1 400 52 52 ASP HA H 4.498 0.020 1 401 52 52 ASP HB2 H 2.785 0.020 2 402 52 52 ASP HB3 H 2.726 0.020 2 403 52 52 ASP C C 177.842 0.3 1 404 52 52 ASP CA C 56.610 0.3 1 405 52 52 ASP CB C 41.040 0.3 1 406 52 52 ASP N N 120.776 0.3 1 407 53 53 ASN H H 8.244 0.020 1 408 53 53 ASN HA H 4.576 0.020 1 409 53 53 ASN HB2 H 2.824 0.020 1 410 53 53 ASN HB3 H 2.824 0.020 1 411 53 53 ASN HD21 H 7.560 0.020 1 412 53 53 ASN HD22 H 6.884 0.020 1 413 53 53 ASN C C 177.368 0.3 1 414 53 53 ASN CA C 55.674 0.3 1 415 53 53 ASN CB C 38.786 0.3 1 416 53 53 ASN N N 117.804 0.3 1 417 54 54 PHE H H 8.389 0.020 1 418 54 54 PHE HA H 4.456 0.020 1 419 54 54 PHE HB2 H 3.289 0.020 1 420 54 54 PHE HB3 H 3.289 0.020 1 421 54 54 PHE HD1 H 7.229 0.020 1 422 54 54 PHE HD2 H 7.229 0.020 1 423 54 54 PHE C C 176.907 0.3 1 424 54 54 PHE CA C 60.932 0.3 1 425 54 54 PHE CB C 39.385 0.3 1 426 54 54 PHE CD1 C 132.064 0.3 1 427 54 54 PHE CD2 C 132.064 0.3 1 428 54 54 PHE N N 121.030 0.3 1 429 55 55 THR H H 8.402 0.020 1 430 55 55 THR HB H 3.809 0.020 1 431 55 55 THR HG2 H 1.270 0.020 1 432 55 55 THR CA C 66.572 0.3 1 433 55 55 THR CB C 68.741 0.3 1 434 55 55 THR CG2 C 22.257 0.3 1 435 55 55 THR N N 114.210 0.3 1 436 56 56 GLN H H 8.210 0.020 1 437 56 56 GLN HA H 4.106 0.020 1 438 56 56 GLN HB2 H 2.154 0.020 1 439 56 56 GLN HB3 H 2.154 0.020 1 440 56 56 GLN HG2 H 2.507 0.020 2 441 56 56 GLN HG3 H 2.431 0.020 2 442 56 56 GLN HE21 H 7.487 0.020 1 443 56 56 GLN HE22 H 6.808 0.020 1 444 56 56 GLN C C 178.494 0.3 1 445 56 56 GLN CA C 59.052 0.3 1 446 56 56 GLN CB C 28.784 0.3 1 447 56 56 GLN CG C 34.509 0.3 1 448 56 56 GLN N N 120.466 0.3 1 449 56 56 GLN NE2 N 111.640 0.3 1 450 57 57 ALA H H 7.982 0.020 1 451 57 57 ALA HA H 4.218 0.020 1 452 57 57 ALA HB H 1.504 0.020 1 453 57 57 ALA C C 180.475 0.3 1 454 57 57 ALA CA C 55.104 0.3 1 455 57 57 ALA CB C 18.574 0.3 1 456 57 57 ALA N N 122.711 0.3 1 457 58 58 ILE H H 7.981 0.020 1 458 58 58 ILE HA H 3.800 0.020 1 459 58 58 ILE HB H 1.860 0.020 1 460 58 58 ILE HG12 H 1.395 0.020 2 461 58 58 ILE HG13 H 1.040 0.020 2 462 58 58 ILE HG2 H 0.805 0.020 1 463 58 58 ILE HD1 H 0.651 0.020 1 464 58 58 ILE C C 177.964 0.3 1 465 58 58 ILE CA C 63.775 0.3 1 466 58 58 ILE CB C 37.621 0.3 1 467 58 58 ILE CG1 C 28.537 0.3 1 468 58 58 ILE CG2 C 17.916 0.3 1 469 58 58 ILE CD1 C 12.752 0.3 1 470 58 58 ILE N N 117.741 0.3 1 471 59 59 GLN H H 8.264 0.020 1 472 59 59 GLN HA H 3.903 0.020 1 473 59 59 GLN HB2 H 2.228 0.020 2 474 59 59 GLN HB3 H 2.117 0.020 2 475 59 59 GLN HG2 H 2.493 0.020 2 476 59 59 GLN HG3 H 2.247 0.020 2 477 59 59 GLN HE21 H 7.062 0.020 1 478 59 59 GLN HE22 H 6.811 0.020 1 479 59 59 GLN C C 178.042 0.3 1 480 59 59 GLN CA C 59.852 0.3 1 481 59 59 GLN CB C 28.991 0.3 1 482 59 59 GLN CG C 34.786 0.3 1 483 59 59 GLN N N 119.557 0.3 1 484 59 59 GLN NE2 N 108.956 0.3 1 485 60 60 SER H H 8.231 0.020 1 486 60 60 SER HA H 4.224 0.020 1 487 60 60 SER HB2 H 4.003 0.020 1 488 60 60 SER HB3 H 4.003 0.020 1 489 60 60 SER CA C 61.728 0.3 1 490 60 60 SER CB C 63.555 0.3 1 491 60 60 SER N N 113.395 0.3 1 492 61 61 GLN H H 8.018 0.020 1 493 61 61 GLN HA H 4.204 0.020 1 494 61 61 GLN HB2 H 2.186 0.020 1 495 61 61 GLN HB3 H 2.186 0.020 1 496 61 61 GLN HG2 H 2.441 0.020 1 497 61 61 GLN HG3 H 2.441 0.020 1 498 61 61 GLN HE21 H 7.339 0.020 1 499 61 61 GLN HE22 H 6.747 0.020 1 500 61 61 GLN C C 179.002 0.3 1 501 61 61 GLN CA C 58.447 0.3 1 502 61 61 GLN CB C 28.892 0.3 1 503 61 61 GLN CG C 34.210 0.3 1 504 61 61 GLN N N 121.092 0.3 1 505 61 61 GLN NE2 N 110.360 0.3 1 506 62 62 ILE H H 8.153 0.020 1 507 62 62 ILE HA H 3.878 0.020 1 508 62 62 ILE HB H 1.963 0.020 1 509 62 62 ILE HG12 H 1.115 0.020 2 510 62 62 ILE HG13 H 1.754 0.020 2 511 62 62 ILE HG2 H 0.872 0.020 1 512 62 62 ILE HD1 H 0.795 0.020 1 513 62 62 ILE C C 177.699 0.3 1 514 62 62 ILE CA C 64.673 0.3 1 515 62 62 ILE CB C 38.097 0.3 1 516 62 62 ILE CG1 C 28.842 0.3 1 517 62 62 ILE CG2 C 17.433 0.3 1 518 62 62 ILE CD1 C 13.583 0.3 1 519 62 62 ILE N N 119.350 0.3 1 520 63 63 LEU H H 8.253 0.020 1 521 63 63 LEU HA H 4.093 0.020 1 522 63 63 LEU HB2 H 1.786 0.020 2 523 63 63 LEU HB3 H 1.625 0.020 2 524 63 63 LEU HG H 1.727 0.020 1 525 63 63 LEU HD1 H 0.881 0.020 2 526 63 63 LEU HD2 H 0.853 0.020 2 527 63 63 LEU C C 178.872 0.3 1 528 63 63 LEU CA C 57.867 0.3 1 529 63 63 LEU CB C 41.844 0.3 1 530 63 63 LEU CG C 27.338 0.3 1 531 63 63 LEU CD1 C 25.242 0.3 1 532 63 63 LEU CD2 C 24.114 0.3 1 533 63 63 LEU N N 119.497 0.3 1 534 64 64 GLY H H 8.245 0.020 1 535 64 64 GLY HA2 H 3.977 0.020 2 536 64 64 GLY HA3 H 3.823 0.020 2 537 64 64 GLY C C 176.673 0.3 1 538 64 64 GLY CA C 47.308 0.3 1 539 64 64 GLY N N 105.385 0.3 1 540 65 65 GLY H H 8.030 0.020 1 541 65 65 GLY HA2 H 4.005 0.020 2 542 65 65 GLY HA3 H 3.880 0.020 2 543 65 65 GLY C C 176.080 0.3 1 544 65 65 GLY CA C 46.756 0.3 1 545 65 65 GLY N N 108.946 0.3 1 546 66 66 LEU H H 8.065 0.020 1 547 66 66 LEU HA H 4.196 0.020 1 548 66 66 LEU HB2 H 1.855 0.020 2 549 66 66 LEU HB3 H 1.610 0.020 2 550 66 66 LEU HG H 1.796 0.020 1 551 66 66 LEU HD1 H 0.849 0.020 1 552 66 66 LEU HD2 H 0.849 0.020 1 553 66 66 LEU C C 178.724 0.3 1 554 66 66 LEU CA C 57.921 0.3 1 555 66 66 LEU CB C 42.594 0.3 1 556 66 66 LEU CG C 27.080 0.3 1 557 66 66 LEU N N 121.919 0.3 1 558 67 67 LEU H H 8.202 0.020 1 559 67 67 LEU HA H 4.163 0.020 1 560 67 67 LEU HB2 H 1.615 0.020 2 561 67 67 LEU HB3 H 1.809 0.020 2 562 67 67 LEU HG H 1.790 0.020 1 563 67 67 LEU HD1 H 0.874 0.020 2 564 67 67 LEU HD2 H 0.836 0.020 2 565 67 67 LEU C C 178.618 0.3 1 566 67 67 LEU CA C 57.019 0.3 1 567 67 67 LEU CB C 41.684 0.3 1 568 67 67 LEU CG C 27.264 0.3 1 569 67 67 LEU CD1 C 25.463 0.3 1 570 67 67 LEU CD2 C 23.934 0.3 1 571 67 67 LEU N N 117.031 0.3 1 572 68 68 SER H H 7.900 0.020 1 573 68 68 SER HA H 4.315 0.020 1 574 68 68 SER HB2 H 3.997 0.020 1 575 68 68 SER HB3 H 3.997 0.020 1 576 68 68 SER CA C 61.004 0.3 1 577 68 68 SER CB C 63.582 0.3 1 578 68 68 SER N N 113.247 0.3 1 579 69 69 ASN H H 7.922 0.020 1 580 69 69 ASN HA H 4.724 0.020 1 581 69 69 ASN HB2 H 2.885 0.020 2 582 69 69 ASN HB3 H 2.814 0.020 2 583 69 69 ASN C C 176.138 0.3 1 584 69 69 ASN CA C 54.931 0.3 1 585 69 69 ASN CB C 39.662 0.3 1 586 69 69 ASN N N 118.862 0.3 1 587 70 70 ILE H H 7.822 0.020 1 588 70 70 ILE HA H 4.158 0.020 1 589 70 70 ILE HB H 1.976 0.020 1 590 70 70 ILE HG12 H 1.606 0.020 2 591 70 70 ILE HG13 H 1.250 0.020 2 592 70 70 ILE HG2 H 0.927 0.020 1 593 70 70 ILE HD1 H 0.839 0.020 1 594 70 70 ILE C C 176.460 0.3 1 595 70 70 ILE CA C 62.824 0.3 1 596 70 70 ILE CB C 38.656 0.3 1 597 70 70 ILE CG1 C 28.088 0.3 1 598 70 70 ILE CG2 C 17.786 0.3 1 599 70 70 ILE CD1 C 13.804 0.3 1 600 70 70 ILE N N 118.722 0.3 1 601 71 71 ASN H H 8.365 0.020 1 602 71 71 ASN HA H 4.844 0.020 1 603 71 71 ASN HB2 H 2.955 0.020 2 604 71 71 ASN HB3 H 2.826 0.020 2 605 71 71 ASN C C 176.141 0.3 1 606 71 71 ASN CA C 53.995 0.3 1 607 71 71 ASN CB C 39.138 0.3 1 608 71 71 ASN N N 120.432 0.3 1 609 72 72 THR H H 8.047 0.020 1 610 72 72 THR HA H 4.382 0.020 1 611 72 72 THR HG2 H 1.277 0.020 1 612 72 72 THR C C 175.580 0.3 1 613 72 72 THR CA C 62.504 0.3 1 614 72 72 THR CB C 69.970 0.3 1 615 72 72 THR CG2 C 21.986 0.3 1 616 72 72 THR N N 111.933 0.3 1 617 73 73 GLY H H 8.275 0.020 1 618 73 73 GLY HA2 H 4.071 0.020 1 619 73 73 GLY HA3 H 4.071 0.020 1 620 73 73 GLY C C 174.004 0.3 1 621 73 73 GLY CA C 45.896 0.3 1 622 73 73 GLY N N 110.126 0.3 1 623 74 74 LYS H H 7.881 0.020 1 624 74 74 LYS HA H 4.723 0.020 1 625 74 74 LYS HB2 H 1.848 0.020 2 626 74 74 LYS HB3 H 1.691 0.020 2 627 74 74 LYS HG2 H 1.455 0.020 1 628 74 74 LYS HG3 H 1.455 0.020 1 629 74 74 LYS HD2 H 1.699 0.020 1 630 74 74 LYS HD3 H 1.699 0.020 1 631 74 74 LYS HE2 H 3.030 0.020 1 632 74 74 LYS HE3 H 3.030 0.020 1 633 74 74 LYS C C 174.135 0.3 1 634 74 74 LYS CA C 53.991 0.3 1 635 74 74 LYS CB C 33.342 0.3 1 636 74 74 LYS CG C 24.808 0.3 1 637 74 74 LYS CD C 29.361 0.3 1 638 74 74 LYS CE C 42.500 0.3 1 639 74 74 LYS N N 121.352 0.3 1 640 75 75 PRO HA H 4.727 0.020 1 641 75 75 PRO HB2 H 2.344 0.020 2 642 75 75 PRO HB3 H 1.973 0.020 2 643 75 75 PRO HG2 H 2.100 0.020 2 644 75 75 PRO HG3 H 2.019 0.020 2 645 75 75 PRO HD2 H 3.678 0.020 2 646 75 75 PRO HD3 H 3.861 0.020 2 647 75 75 PRO CA C 63.535 0.3 1 648 75 75 PRO CB C 32.630 0.3 1 649 75 75 PRO CG C 27.816 0.3 1 650 75 75 PRO CD C 50.885 0.3 1 651 76 76 GLY H H 8.631 0.020 1 652 76 76 GLY HA2 H 4.188 0.020 2 653 76 76 GLY HA3 H 3.873 0.020 2 654 76 76 GLY C C 172.402 0.3 1 655 76 76 GLY CA C 45.748 0.3 1 656 76 76 GLY N N 109.025 0.3 1 657 77 77 ARG H H 8.064 0.020 1 658 77 77 ARG HA H 5.381 0.020 1 659 77 77 ARG HB2 H 1.875 0.020 2 660 77 77 ARG HB3 H 1.735 0.020 2 661 77 77 ARG HG2 H 1.494 0.020 2 662 77 77 ARG HG3 H 1.439 0.020 2 663 77 77 ARG HD2 H 3.083 0.020 1 664 77 77 ARG HD3 H 3.083 0.020 1 665 77 77 ARG C C 175.516 0.3 1 666 77 77 ARG CA C 55.284 0.3 1 667 77 77 ARG CB C 33.602 0.3 1 668 77 77 ARG CG C 27.373 0.3 1 669 77 77 ARG CD C 43.807 0.3 1 670 77 77 ARG N N 120.997 0.3 1 671 78 78 MET H H 9.301 0.020 1 672 78 78 MET HA H 4.825 0.020 1 673 78 78 MET HB2 H 2.024 0.020 2 674 78 78 MET HB3 H 1.947 0.020 2 675 78 78 MET HG2 H 2.484 0.020 2 676 78 78 MET HG3 H 2.439 0.020 2 677 78 78 MET C C 174.177 0.3 1 678 78 78 MET CA C 55.003 0.3 1 679 78 78 MET CB C 36.341 0.3 1 680 78 78 MET CG C 32.296 0.3 1 681 78 78 MET N N 125.404 0.3 1 682 79 79 VAL H H 8.681 0.020 1 683 79 79 VAL HA H 4.730 0.020 1 684 79 79 VAL HB H 2.030 0.020 1 685 79 79 VAL HG1 H 0.954 0.020 2 686 79 79 VAL HG2 H 0.942 0.020 2 687 79 79 VAL C C 176.065 0.3 1 688 79 79 VAL CA C 62.451 0.3 1 689 79 79 VAL CB C 34.101 0.3 1 690 79 79 VAL CG1 C 21.512 0.3 1 691 79 79 VAL CG2 C 21.759 0.3 1 692 79 79 VAL N N 124.508 0.3 1 693 80 80 THR H H 9.119 0.020 1 694 80 80 THR HA H 4.932 0.020 1 695 80 80 THR HB H 4.716 0.020 1 696 80 80 THR HG2 H 1.213 0.020 1 697 80 80 THR C C 174.544 0.3 1 698 80 80 THR CA C 59.558 0.3 1 699 80 80 THR CB C 71.127 0.3 1 700 80 80 THR CG2 C 22.124 0.3 1 701 80 80 THR N N 118.830 0.3 1 702 81 81 ASN H H 8.881 0.020 1 703 81 81 ASN HA H 4.291 0.020 1 704 81 81 ASN HB2 H 2.757 0.020 1 705 81 81 ASN HB3 H 2.757 0.020 1 706 81 81 ASN HD21 H 7.671 0.020 1 707 81 81 ASN HD22 H 6.918 0.020 1 708 81 81 ASN C C 176.215 0.3 1 709 81 81 ASN CA C 57.076 0.3 1 710 81 81 ASN CB C 38.589 0.3 1 711 81 81 ASN N N 117.307 0.3 1 712 81 81 ASN ND2 N 113.263 0.3 1 713 82 82 ASP H H 7.944 0.020 1 714 82 82 ASP HA H 4.665 0.020 1 715 82 82 ASP HB2 H 2.133 0.020 1 716 82 82 ASP HB3 H 2.133 0.020 1 717 82 82 ASP CA C 55.437 0.3 1 718 82 82 ASP CB C 43.868 0.3 1 719 82 82 ASP N N 113.044 0.3 1 720 83 83 TYR H H 7.764 0.020 1 721 83 83 TYR HA H 5.671 0.020 1 722 83 83 TYR HB2 H 2.865 0.020 2 723 83 83 TYR HB3 H 2.522 0.020 2 724 83 83 TYR HD1 H 6.933 0.020 1 725 83 83 TYR HD2 H 6.933 0.020 1 726 83 83 TYR HE1 H 6.755 0.020 1 727 83 83 TYR HE2 H 6.755 0.020 1 728 83 83 TYR C C 174.523 0.3 1 729 83 83 TYR CA C 57.606 0.3 1 730 83 83 TYR CB C 43.651 0.3 1 731 83 83 TYR CD1 C 133.864 0.3 1 732 83 83 TYR CD2 C 133.864 0.3 1 733 83 83 TYR CE1 C 117.993 0.3 1 734 83 83 TYR CE2 C 117.993 0.3 1 735 83 83 TYR N N 117.129 0.3 1 736 84 84 ILE H H 8.872 0.020 1 737 84 84 ILE HA H 4.715 0.020 1 738 84 84 ILE HB H 1.713 0.020 1 739 84 84 ILE HG12 H 1.577 0.020 2 740 84 84 ILE HG13 H 1.150 0.020 2 741 84 84 ILE HG2 H 0.908 0.020 1 742 84 84 ILE HD1 H 0.895 0.020 1 743 84 84 ILE C C 175.847 0.3 1 744 84 84 ILE CA C 61.438 0.3 1 745 84 84 ILE CB C 40.876 0.3 1 746 84 84 ILE CG1 C 28.211 0.3 1 747 84 84 ILE CG2 C 18.011 0.3 1 748 84 84 ILE CD1 C 13.855 0.3 1 749 84 84 ILE N N 120.073 0.3 1 750 85 85 VAL H H 9.322 0.020 1 751 85 85 VAL HA H 5.002 0.020 1 752 85 85 VAL HB H 2.109 0.020 1 753 85 85 VAL HG1 H 0.900 0.020 2 754 85 85 VAL HG2 H 0.833 0.020 2 755 85 85 VAL C C 173.917 0.3 1 756 85 85 VAL CA C 61.366 0.3 1 757 85 85 VAL CB C 34.339 0.3 1 758 85 85 VAL CG1 C 21.368 0.3 1 759 85 85 VAL CG2 C 21.661 0.3 1 760 85 85 VAL N N 128.020 0.3 1 761 86 86 ASP H H 9.045 0.020 1 762 86 86 ASP HA H 5.555 0.020 1 763 86 86 ASP HB2 H 2.577 0.020 2 764 86 86 ASP HB3 H 2.696 0.020 2 765 86 86 ASP C C 175.438 0.3 1 766 86 86 ASP CA C 53.701 0.3 1 767 86 86 ASP CB C 45.045 0.3 1 768 86 86 ASP N N 126.711 0.3 1 769 87 87 ILE H H 8.779 0.020 1 770 87 87 ILE HA H 4.934 0.020 1 771 87 87 ILE HB H 1.697 0.020 1 772 87 87 ILE HG12 H 1.571 0.020 2 773 87 87 ILE HG13 H 0.962 0.020 2 774 87 87 ILE HG2 H 0.841 0.020 1 775 87 87 ILE HD1 H 0.798 0.020 1 776 87 87 ILE C C 174.582 0.3 1 777 87 87 ILE CA C 60.788 0.3 1 778 87 87 ILE CB C 40.588 0.3 1 779 87 87 ILE CG1 C 28.339 0.3 1 780 87 87 ILE CG2 C 18.103 0.3 1 781 87 87 ILE CD1 C 14.406 0.3 1 782 87 87 ILE N N 122.317 0.3 1 783 88 88 ALA H H 8.834 0.020 1 784 88 88 ALA HA H 4.729 0.020 1 785 88 88 ALA HB H 1.362 0.020 1 786 88 88 ALA C C 175.413 0.3 1 787 88 88 ALA CA C 51.243 0.3 1 788 88 88 ALA CB C 22.726 0.3 1 789 88 88 ALA N N 128.774 0.3 1 790 89 89 ASN H H 8.641 0.020 1 791 89 89 ASN HA H 5.219 0.020 1 792 89 89 ASN HB2 H 2.807 0.020 2 793 89 89 ASN HB3 H 2.442 0.020 2 794 89 89 ASN HD21 H 6.636 0.020 1 795 89 89 ASN HD22 H 7.267 0.020 1 796 89 89 ASN C C 175.292 0.3 1 797 89 89 ASN CA C 52.469 0.3 1 798 89 89 ASN CB C 40.316 0.3 1 799 89 89 ASN N N 119.669 0.3 1 800 89 89 ASN ND2 N 109.683 0.3 1 801 90 90 ARG H H 8.681 0.020 1 802 90 90 ARG HA H 4.557 0.020 1 803 90 90 ARG HB2 H 1.778 0.020 2 804 90 90 ARG HB3 H 1.653 0.020 2 805 90 90 ARG HG2 H 1.557 0.020 2 806 90 90 ARG HG3 H 1.502 0.020 2 807 90 90 ARG HD2 H 3.169 0.020 1 808 90 90 ARG HD3 H 3.169 0.020 1 809 90 90 ARG C C 175.937 0.3 1 810 90 90 ARG CA C 55.437 0.3 1 811 90 90 ARG CB C 31.685 0.3 1 812 90 90 ARG CG C 27.273 0.3 1 813 90 90 ARG CD C 43.591 0.3 1 814 90 90 ARG N N 125.064 0.3 1 815 91 91 ASP H H 9.121 0.020 1 816 91 91 ASP HA H 4.315 0.020 1 817 91 91 ASP HB2 H 2.635 0.020 1 818 91 91 ASP HB3 H 2.635 0.020 1 819 91 91 ASP CA C 55.595 0.3 1 820 91 91 ASP CB C 40.134 0.3 1 821 91 91 ASP N N 124.388 0.3 1 822 92 92 GLY H H 8.376 0.020 1 823 92 92 GLY HA2 H 4.205 0.020 2 824 92 92 GLY HA3 H 3.661 0.020 2 825 92 92 GLY C C 174.150 0.3 1 826 92 92 GLY CA C 45.965 0.3 1 827 92 92 GLY N N 105.030 0.3 1 828 93 93 GLN H H 7.723 0.020 1 829 93 93 GLN HA H 4.682 0.020 1 830 93 93 GLN HB2 H 2.111 0.020 2 831 93 93 GLN HB3 H 1.995 0.020 2 832 93 93 GLN HG2 H 2.317 0.020 2 833 93 93 GLN HG3 H 2.260 0.020 2 834 93 93 GLN HE21 H 7.429 0.020 1 835 93 93 GLN HE22 H 6.770 0.020 1 836 93 93 GLN C C 174.811 0.3 1 837 93 93 GLN CA C 54.204 0.3 1 838 93 93 GLN CB C 31.173 0.3 1 839 93 93 GLN CG C 34.127 0.3 1 840 93 93 GLN N N 118.999 0.3 1 841 93 93 GLN NE2 N 110.829 0.3 1 842 94 94 LEU H H 8.581 0.020 1 843 94 94 LEU HA H 4.879 0.020 1 844 94 94 LEU HB2 H 1.551 0.020 1 845 94 94 LEU HB3 H 1.551 0.020 1 846 94 94 LEU HG H 1.526 0.020 1 847 94 94 LEU HD1 H 0.771 0.020 2 848 94 94 LEU HD2 H 0.839 0.020 2 849 94 94 LEU C C 175.937 0.3 1 850 94 94 LEU CA C 54.641 0.3 1 851 94 94 LEU CB C 43.579 0.3 1 852 94 94 LEU CG C 27.580 0.3 1 853 94 94 LEU CD1 C 25.130 0.3 1 854 94 94 LEU CD2 C 25.015 0.3 1 855 94 94 LEU N N 124.916 0.3 1 856 95 95 GLN H H 9.021 0.020 1 857 95 95 GLN HA H 5.038 0.020 1 858 95 95 GLN HB2 H 1.938 0.020 1 859 95 95 GLN HB3 H 1.938 0.020 1 860 95 95 GLN HG2 H 2.173 0.020 1 861 95 95 GLN HG3 H 2.173 0.020 1 862 95 95 GLN HE21 H 7.512 0.020 1 863 95 95 GLN HE22 H 6.808 0.020 1 864 95 95 GLN C C 174.147 0.3 1 865 95 95 GLN CA C 54.763 0.3 1 866 95 95 GLN CB C 32.280 0.3 1 867 95 95 GLN CG C 34.351 0.3 1 868 95 95 GLN N N 123.857 0.3 1 869 95 95 GLN NE2 N 111.347 0.3 1 870 96 96 LEU H H 9.096 0.020 1 871 96 96 LEU HA H 5.182 0.020 1 872 96 96 LEU HB2 H 1.558 0.020 2 873 96 96 LEU HB3 H 1.415 0.020 2 874 96 96 LEU HG H 1.539 0.020 1 875 96 96 LEU HD1 H 0.728 0.020 1 876 96 96 LEU C C 175.061 0.3 1 877 96 96 LEU CA C 53.805 0.3 1 878 96 96 LEU CB C 44.100 0.3 1 879 96 96 LEU CG C 27.767 0.3 1 880 96 96 LEU CD1 C 25.639 0.3 1 881 96 96 LEU N N 124.264 0.3 1 882 97 97 ASN H H 9.186 0.020 1 883 97 97 ASN HA H 5.555 0.020 1 884 97 97 ASN HB2 H 2.617 0.020 2 885 97 97 ASN HB3 H 2.829 0.020 2 886 97 97 ASN HD21 H 6.642 0.020 1 887 97 97 ASN HD22 H 7.515 0.020 1 888 97 97 ASN C C 174.908 0.3 1 889 97 97 ASN CA C 52.390 0.3 1 890 97 97 ASN CB C 40.903 0.3 1 891 97 97 ASN N N 123.603 0.3 1 892 97 97 ASN ND2 N 112.287 0.3 1 893 98 98 VAL H H 9.288 0.020 1 894 98 98 VAL HA H 4.939 0.020 1 895 98 98 VAL HB H 2.017 0.020 1 896 98 98 VAL HG1 H 0.807 0.020 2 897 98 98 VAL HG2 H 0.760 0.020 2 898 98 98 VAL CA C 61.583 0.3 1 899 98 98 VAL CB C 34.124 0.3 1 900 98 98 VAL CG1 C 21.200 0.3 1 901 98 98 VAL CG2 C 22.067 0.3 1 902 98 98 VAL N N 125.384 0.3 1 903 99 99 THR H H 9.634 0.020 1 904 99 99 THR HA H 5.121 0.020 1 905 99 99 THR HB H 3.946 0.020 1 906 99 99 THR HG2 H 0.955 0.020 1 907 99 99 THR C C 174.196 0.3 1 908 99 99 THR CA C 62.089 0.3 1 909 99 99 THR CB C 71.203 0.3 1 910 99 99 THR CG2 C 20.627 0.3 1 911 99 99 THR N N 125.160 0.3 1 912 100 100 ASP H H 8.760 0.020 1 913 100 100 ASP HB2 H 3.226 0.020 2 914 100 100 ASP HB3 H 2.647 0.020 2 915 100 100 ASP C C 177.099 0.3 1 916 100 100 ASP CA C 54.135 0.3 1 917 100 100 ASP CB C 42.892 0.3 1 918 100 100 ASP N N 128.105 0.3 1 919 101 101 ARG H H 8.385 0.020 1 920 101 101 ARG HA H 3.936 0.020 1 921 101 101 ARG HB2 H 2.063 0.020 2 922 101 101 ARG HB3 H 1.435 0.020 2 923 101 101 ARG HG2 H 1.563 0.020 2 924 101 101 ARG HG3 H 1.456 0.020 2 925 101 101 ARG HD2 H 2.923 0.020 1 926 101 101 ARG HD3 H 2.923 0.020 1 927 101 101 ARG C C 177.535 0.3 1 928 101 101 ARG CA C 59.596 0.3 1 929 101 101 ARG CB C 30.932 0.3 1 930 101 101 ARG CG C 28.335 0.3 1 931 101 101 ARG CD C 43.743 0.3 1 932 101 101 ARG N N 126.219 0.3 1 933 102 102 LYS H H 8.776 0.020 1 934 102 102 LYS HA H 4.257 0.020 1 935 102 102 LYS HB2 H 2.036 0.020 2 936 102 102 LYS HB3 H 1.905 0.020 2 937 102 102 LYS HG2 H 1.538 0.020 2 938 102 102 LYS HG3 H 1.391 0.020 2 939 102 102 LYS HD2 H 1.707 0.020 1 940 102 102 LYS HD3 H 1.707 0.020 1 941 102 102 LYS HE2 H 3.006 0.020 1 942 102 102 LYS HE3 H 3.006 0.020 1 943 102 102 LYS C C 178.813 0.3 1 944 102 102 LYS CA C 58.774 0.3 1 945 102 102 LYS CB C 32.787 0.3 1 946 102 102 LYS CG C 25.470 0.3 1 947 102 102 LYS CD C 29.003 0.3 1 948 102 102 LYS CE C 42.210 0.3 1 949 102 102 LYS N N 117.925 0.3 1 950 103 103 THR H H 7.707 0.020 1 951 103 103 THR HA H 4.436 0.020 1 952 103 103 THR HG2 H 1.216 0.020 1 953 103 103 THR C C 176.995 0.3 1 954 103 103 THR CA C 61.872 0.3 1 955 103 103 THR CB C 71.272 0.3 1 956 103 103 THR CG2 C 21.410 0.3 1 957 103 103 THR N N 106.371 0.3 1 958 104 104 GLY H H 8.573 0.020 1 959 104 104 GLY HA2 H 4.200 0.020 2 960 104 104 GLY HA3 H 3.639 0.020 2 961 104 104 GLY C C 174.173 0.3 1 962 104 104 GLY CA C 45.820 0.3 1 963 104 104 GLY N N 111.642 0.3 1 964 105 105 GLN H H 7.812 0.020 1 965 105 105 GLN HA H 4.356 0.020 1 966 105 105 GLN HB2 H 2.117 0.020 2 967 105 105 GLN HB3 H 2.008 0.020 2 968 105 105 GLN HG2 H 2.384 0.020 1 969 105 105 GLN HG3 H 2.384 0.020 1 970 105 105 GLN C C 176.061 0.3 1 971 105 105 GLN CA C 56.811 0.3 1 972 105 105 GLN CB C 30.071 0.3 1 973 105 105 GLN CG C 34.205 0.3 1 974 105 105 GLN N N 119.739 0.3 1 975 106 106 THR H H 8.701 0.020 1 976 106 106 THR HA H 5.512 0.020 1 977 106 106 THR HB H 3.951 0.020 1 978 106 106 THR HG2 H 1.138 0.020 1 979 106 106 THR C C 174.600 0.3 1 980 106 106 THR CA C 61.494 0.3 1 981 106 106 THR CB C 71.489 0.3 1 982 106 106 THR CG2 C 21.793 0.3 1 983 106 106 THR N N 119.977 0.3 1 984 107 107 SER H H 9.078 0.020 1 985 107 107 SER HA H 4.864 0.020 1 986 107 107 SER HB2 H 3.798 0.020 2 987 107 107 SER HB3 H 3.697 0.020 2 988 107 107 SER C C 173.074 0.3 1 989 107 107 SER CA C 57.895 0.3 1 990 107 107 SER CB C 66.017 0.3 1 991 107 107 SER N N 121.355 0.3 1 992 108 108 THR H H 8.661 0.020 1 993 108 108 THR HA H 5.379 0.020 1 994 108 108 THR HB H 3.859 0.020 1 995 108 108 THR HG2 H 1.131 0.020 1 996 108 108 THR C C 174.138 0.3 1 997 108 108 THR CA C 61.886 0.3 1 998 108 108 THR CB C 71.544 0.3 1 999 108 108 THR CG2 C 21.924 0.3 1 1000 108 108 THR N N 120.211 0.3 1 1001 109 109 ILE H H 9.141 0.020 1 1002 109 109 ILE HA H 4.502 0.020 1 1003 109 109 ILE HB H 1.798 0.020 1 1004 109 109 ILE HG12 H 1.479 0.020 2 1005 109 109 ILE HG13 H 1.124 0.020 2 1006 109 109 ILE HG2 H 0.844 0.020 1 1007 109 109 ILE HD1 H 0.782 0.020 1 1008 109 109 ILE C C 174.850 0.3 1 1009 109 109 ILE CA C 60.209 0.3 1 1010 109 109 ILE CB C 41.506 0.3 1 1011 109 109 ILE CG1 C 27.867 0.3 1 1012 109 109 ILE CG2 C 18.059 0.3 1 1013 109 109 ILE CD1 C 14.021 0.3 1 1014 109 109 ILE N N 126.476 0.3 1 1015 110 110 GLN H H 8.738 0.020 1 1016 110 110 GLN HA H 4.912 0.020 1 1017 110 110 GLN HB2 H 2.038 0.020 1 1018 110 110 GLN HB3 H 2.038 0.020 1 1019 110 110 GLN HG2 H 2.304 0.020 1 1020 110 110 GLN HG3 H 2.304 0.020 1 1021 110 110 GLN HE21 H 7.427 0.020 1 1022 110 110 GLN HE22 H 6.751 0.020 1 1023 110 110 GLN C C 175.745 0.3 1 1024 110 110 GLN CA C 55.581 0.3 1 1025 110 110 GLN CB C 30.446 0.3 1 1026 110 110 GLN CG C 34.347 0.3 1 1027 110 110 GLN N N 126.243 0.3 1 1028 110 110 GLN NE2 N 111.197 0.3 1 1029 111 111 VAL H H 8.588 0.020 1 1030 111 111 VAL HA H 4.380 0.020 1 1031 111 111 VAL HB H 2.095 0.020 1 1032 111 111 VAL HG1 H 0.927 0.020 2 1033 111 111 VAL HG2 H 0.838 0.020 2 1034 111 111 VAL C C 175.600 0.3 1 1035 111 111 VAL CA C 62.523 0.3 1 1036 111 111 VAL CB C 33.359 0.3 1 1037 111 111 VAL CG1 C 21.956 0.3 1 1038 111 111 VAL CG2 C 21.270 0.3 1 1039 111 111 VAL N N 122.891 0.3 1 1040 112 112 SER H H 8.444 0.020 1 1041 112 112 SER HB2 H 3.929 0.020 1 1042 112 112 SER HB3 H 3.929 0.020 1 1043 112 112 SER C C 174.787 0.3 1 1044 112 112 SER CA C 58.763 0.3 1 1045 112 112 SER CB C 64.692 0.3 1 1046 112 112 SER N N 118.749 0.3 1 1047 113 113 GLY H H 8.380 0.020 1 1048 113 113 GLY HA2 H 4.052 0.020 1 1049 113 113 GLY HA3 H 4.052 0.020 1 1050 113 113 GLY C C 174.589 0.3 1 1051 113 113 GLY CA C 45.820 0.3 1 1052 113 113 GLY N N 109.109 0.3 1 1053 114 114 LEU H H 8.097 0.020 1 1054 114 114 LEU HA H 4.335 0.020 1 1055 114 114 LEU HB2 H 1.609 0.020 1 1056 114 114 LEU HB3 H 1.609 0.020 1 1057 114 114 LEU HG H 1.603 0.020 1 1058 114 114 LEU HD1 H 0.877 0.020 2 1059 114 114 LEU HD2 H 0.841 0.020 2 1060 114 114 LEU C C 177.420 0.3 1 1061 114 114 LEU CA C 55.598 0.3 1 1062 114 114 LEU CB C 42.639 0.3 1 1063 114 114 LEU CG C 27.344 0.3 1 1064 114 114 LEU CD1 C 25.565 0.3 1 1065 114 114 LEU CD2 C 23.854 0.3 1 1066 114 114 LEU N N 120.444 0.3 1 1067 115 115 GLN H H 8.357 0.020 1 1068 115 115 GLN HA H 4.349 0.020 1 1069 115 115 GLN HB2 H 2.120 0.020 2 1070 115 115 GLN HB3 H 1.994 0.020 2 1071 115 115 GLN HG2 H 2.336 0.020 1 1072 115 115 GLN HG3 H 2.336 0.020 1 1073 115 115 GLN C C 175.899 0.3 1 1074 115 115 GLN CA C 55.943 0.3 1 1075 115 115 GLN CB C 29.696 0.3 1 1076 115 115 GLN CG C 34.127 0.3 1 1077 115 115 GLN N N 119.626 0.3 1 1078 116 116 ASN H H 8.416 0.020 1 1079 116 116 ASN C C 175.196 0.3 1 1080 116 116 ASN CA C 53.593 0.3 1 1081 116 116 ASN CB C 39.108 0.3 1 1082 116 116 ASN N N 119.679 0.3 1 1083 117 117 ASN H H 8.433 0.020 1 1084 117 117 ASN C C 175.669 0.3 1 1085 117 117 ASN CA C 53.679 0.3 1 1086 117 117 ASN N N 119.287 0.3 1 1087 118 118 SER H H 8.298 0.020 1 1088 118 118 SER HA H 4.491 0.020 1 1089 118 118 SER HB2 H 3.930 0.020 1 1090 118 118 SER HB3 H 3.930 0.020 1 1091 118 118 SER C C 175.234 0.3 1 1092 118 118 SER CA C 59.197 0.3 1 1093 118 118 SER CB C 64.186 0.3 1 1094 118 118 SER N N 115.826 0.3 1 1095 119 119 THR H H 8.148 0.020 1 1096 119 119 THR HA H 4.301 0.020 1 1097 119 119 THR HG2 H 1.129 0.020 1 1098 119 119 THR C C 174.504 0.3 1 1099 119 119 THR CA C 62.451 0.3 1 1100 119 119 THR CB C 69.754 0.3 1 1101 119 119 THR CG2 C 21.835 0.3 1 1102 119 119 THR N N 115.049 0.3 1 1103 120 120 ASP H H 8.171 0.020 1 1104 120 120 ASP C C 176.320 0.3 1 1105 120 120 ASP CA C 54.497 0.3 1 1106 120 120 ASP CB C 41.409 0.3 1 1107 120 120 ASP N N 122.169 0.3 1 1108 121 121 PHE H H 8.071 0.020 1 1109 121 121 PHE HA H 4.477 0.020 1 1110 121 121 PHE HB2 H 2.990 0.020 1 1111 121 121 PHE HB3 H 2.990 0.020 1 1112 121 121 PHE C C 176.039 0.3 1 1113 121 121 PHE CA C 58.546 0.3 1 1114 121 121 PHE CB C 39.457 0.3 1 1115 121 121 PHE N N 120.388 0.3 1 stop_ save_