data_17620 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,15N and 13C Assignment of the D2 domain of the Human Fibroblast Growth Factor Receptor 4 ; _BMRB_accession_number 17620 _BMRB_flat_file_name bmr17620.str _Entry_type original _Submission_date 2011-05-03 _Accession_date 2011-05-03 _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 Elshorst Bettina . . 2 Saxena Krishna . . 3 Schieborr Ulrich . . 4 Schwalbe Harald . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 454 "13C chemical shifts" 343 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-26 update BMRB 'update entry citation' 2011-06-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N assignment of D2 domain of human fibroblast growth factor receptor 4.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22752790 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elshorst Bettina . . 2 Saxena Krishna . . 3 Schieborr Ulrich . . 4 Schwalbe Harald . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 179 _Page_last 182 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'D2 domain of human fibroblast growth factor receptor 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FGFR4 D2' $FGFR4_D2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FGFR4_D2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FGFR4_D2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; MNRHSYPQQAPYWTHPQRME KKLHAVPAGNTVKFRCPAAG NPTPTIRWLKDGQAFHGENR IGGIRLRHQHWSLVMESVVP SDRGTYTCLVENAVGSIRYN YLLDVLLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 ARG 4 HIS 5 SER 6 TYR 7 PRO 8 GLN 9 GLN 10 ALA 11 PRO 12 TYR 13 TRP 14 THR 15 HIS 16 PRO 17 GLN 18 ARG 19 MET 20 GLU 21 LYS 22 LYS 23 LEU 24 HIS 25 ALA 26 VAL 27 PRO 28 ALA 29 GLY 30 ASN 31 THR 32 VAL 33 LYS 34 PHE 35 ARG 36 CYS 37 PRO 38 ALA 39 ALA 40 GLY 41 ASN 42 PRO 43 THR 44 PRO 45 THR 46 ILE 47 ARG 48 TRP 49 LEU 50 LYS 51 ASP 52 GLY 53 GLN 54 ALA 55 PHE 56 HIS 57 GLY 58 GLU 59 ASN 60 ARG 61 ILE 62 GLY 63 GLY 64 ILE 65 ARG 66 LEU 67 ARG 68 HIS 69 GLN 70 HIS 71 TRP 72 SER 73 LEU 74 VAL 75 MET 76 GLU 77 SER 78 VAL 79 VAL 80 PRO 81 SER 82 ASP 83 ARG 84 GLY 85 THR 86 TYR 87 THR 88 CYS 89 LEU 90 VAL 91 GLU 92 ASN 93 ALA 94 VAL 95 GLY 96 SER 97 ILE 98 ARG 99 TYR 100 ASN 101 TYR 102 LEU 103 LEU 104 ASP 105 VAL 106 LEU 107 LEU 108 GLU 109 HIS 110 HIS 111 HIS 112 HIS 113 HIS 114 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 $FGFR4_D2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FGFR4_D2 'recombinant technology' . Escherichia coli . BL21(DE3) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR4_D2 0.7 mM '[U-99% 13C; U-99% 15N]' BIS-TRIS 25 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' arginine 25 mM 'natural abundance' TSP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR4_D2 0.7 mM '[U-99% 13C; U-99% 15N]' BIS-TRIS 25 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' arginine 25 mM 'natural abundance' TSP 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 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' 200 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D HNHA' '3D 1H-15N NOESY' '2D 1H-13C HMQC' '3D HCCH-TOCSY' '3D CCH-TOCSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FGFR4 D2' _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 5 5 SER HA H 4.373 0.02 1 2 5 5 SER HB2 H 3.683 0.02 2 3 5 5 SER HB3 H 3.683 0.02 2 4 5 5 SER CA C 58.299 0.1 1 5 5 5 SER CB C 63.909 0.1 1 6 6 6 TYR H H 8.130 0.02 1 7 6 6 TYR HA H 4.779 0.02 1 8 6 6 TYR HB2 H 3.043 0.02 2 9 6 6 TYR HB3 H 2.725 0.02 2 10 6 6 TYR HD1 H 7.088 0.02 3 11 6 6 TYR HD2 H 7.088 0.02 3 12 6 6 TYR HE1 H 6.741 0.02 3 13 6 6 TYR HE2 H 6.741 0.02 3 14 6 6 TYR CA C 55.852 0.1 1 15 6 6 TYR CB C 38.064 0.1 1 16 6 6 TYR CD1 C 133.283 0.1 3 17 6 6 TYR CE1 C 118.297 0.1 3 18 6 6 TYR N N 122.566 0.1 1 19 7 7 PRO HA H 4.378 0.02 1 20 7 7 PRO HB2 H 1.857 0.02 2 21 7 7 PRO HB3 H 1.934 0.02 2 22 7 7 PRO HG2 H 2.239 0.02 2 23 7 7 PRO HG3 H 2.239 0.02 2 24 7 7 PRO HD2 H 3.676 0.02 2 25 7 7 PRO HD3 H 3.676 0.02 2 26 7 7 PRO CA C 63.216 0.1 1 27 7 7 PRO CB C 32.059 0.1 1 28 7 7 PRO CG C 27.123 0.1 1 29 8 8 GLN H H 8.422 0.02 1 30 8 8 GLN HA H 4.228 0.02 1 31 8 8 GLN HB2 H 1.909 0.02 2 32 8 8 GLN HB3 H 1.909 0.02 2 33 8 8 GLN HG2 H 2.382 0.02 2 34 8 8 GLN HG3 H 2.382 0.02 2 35 8 8 GLN C C 175.998 0.1 1 36 8 8 GLN CA C 56.867 0.1 1 37 8 8 GLN CB C 29.994 0.1 1 38 8 8 GLN CG C 34.813 0.1 1 39 8 8 GLN N N 120.779 0.1 1 40 9 9 GLN H H 9.778 0.02 1 41 9 9 GLN HA H 4.509 0.02 1 42 9 9 GLN HB2 H 1.835 0.02 2 43 9 9 GLN HB3 H 1.835 0.02 2 44 9 9 GLN HG2 H 2.332 0.02 2 45 9 9 GLN HG3 H 2.332 0.02 2 46 9 9 GLN C C 175.049 0.1 1 47 9 9 GLN CA C 55.471 0.1 1 48 9 9 GLN CB C 32.895 0.1 1 49 9 9 GLN CG C 33.554 0.1 1 50 9 9 GLN N N 122.113 0.1 1 51 10 10 ALA H H 8.879 0.02 1 52 10 10 ALA HA H 4.257 0.02 1 53 10 10 ALA HB H 1.242 0.02 1 54 10 10 ALA CA C 51.261 0.1 1 55 10 10 ALA CB C 16.401 0.1 1 56 10 10 ALA N N 130.357 0.1 1 57 11 11 PRO HA H 4.978 0.02 1 58 11 11 PRO HB2 H 1.203 0.02 2 59 11 11 PRO HB3 H 1.441 0.02 2 60 11 11 PRO HG2 H 1.295 0.02 2 61 11 11 PRO HG3 H 1.742 0.02 2 62 11 11 PRO HD2 H 3.695 0.02 2 63 11 11 PRO HD3 H 2.818 0.02 2 64 11 11 PRO CA C 62.222 0.1 1 65 11 11 PRO CB C 32.486 0.1 1 66 11 11 PRO CG C 28.479 0.1 1 67 12 12 TYR H H 7.759 0.02 1 68 12 12 TYR HA H 4.267 0.02 1 69 12 12 TYR HB2 H 2.661 0.02 2 70 12 12 TYR HB3 H 2.661 0.02 2 71 12 12 TYR HD1 H 6.824 0.02 3 72 12 12 TYR HD2 H 6.824 0.02 3 73 12 12 TYR HE1 H 6.337 0.02 3 74 12 12 TYR HE2 H 6.337 0.02 3 75 12 12 TYR C C 173.151 0.1 1 76 12 12 TYR CA C 54.792 0.1 1 77 12 12 TYR CB C 40.330 0.1 1 78 12 12 TYR CD1 C 134.548 0.1 3 79 12 12 TYR CE1 C 117.099 0.1 3 80 12 12 TYR N N 114.481 0.1 1 81 13 13 TRP H H 7.632 0.02 1 82 13 13 TRP HA H 5.242 0.02 1 83 13 13 TRP HB2 H 3.404 0.02 2 84 13 13 TRP HB3 H 2.906 0.02 2 85 13 13 TRP C C 178.520 0.1 1 86 13 13 TRP CA C 54.453 0.1 1 87 13 13 TRP CB C 30.135 0.1 1 88 13 13 TRP N N 117.414 0.1 1 89 14 14 THR H H 7.758 0.02 1 90 14 14 THR HA H 4.066 0.02 1 91 14 14 THR HB H 3.944 0.02 1 92 14 14 THR HG2 H 0.739 0.02 1 93 14 14 THR C C 175.674 0.1 1 94 14 14 THR CA C 62.939 0.1 1 95 14 14 THR CB C 68.432 0.1 1 96 14 14 THR CG2 C 22.758 0.1 1 97 14 14 THR N N 113.079 0.1 1 98 15 15 HIS H H 8.546 0.02 1 99 15 15 HIS HA H 4.922 0.02 1 100 15 15 HIS HB2 H 2.885 0.02 2 101 15 15 HIS HB3 H 2.663 0.02 2 102 15 15 HIS CA C 55.107 0.1 1 103 15 15 HIS CB C 31.126 0.1 1 104 15 15 HIS N N 119.423 0.1 1 105 16 16 PRO HA H 3.935 0.02 1 106 16 16 PRO HB2 H 1.989 0.02 2 107 16 16 PRO HB3 H 1.989 0.02 2 108 16 16 PRO HG2 H 2.212 0.02 2 109 16 16 PRO HG3 H 2.212 0.02 2 110 16 16 PRO CA C 65.668 0.1 1 111 16 16 PRO CB C 30.827 0.1 1 112 16 16 PRO CG C 27.764 0.1 1 113 16 16 PRO CD C 49.869 0.1 1 114 17 17 GLN H H 9.098 0.02 1 115 17 17 GLN HA H 4.207 0.02 1 116 17 17 GLN HB2 H 2.085 0.02 2 117 17 17 GLN HB3 H 2.085 0.02 2 118 17 17 GLN HG2 H 2.383 0.02 2 119 17 17 GLN HG3 H 2.548 0.02 2 120 17 17 GLN C C 178.520 0.1 1 121 17 17 GLN CA C 58.971 0.1 1 122 17 17 GLN CB C 27.267 0.1 1 123 17 17 GLN CG C 33.991 0.1 1 124 17 17 GLN N N 118.383 0.1 1 125 18 18 ARG H H 7.688 0.02 1 126 18 18 ARG HA H 4.317 0.02 1 127 18 18 ARG HB2 H 1.713 0.02 2 128 18 18 ARG HB3 H 1.713 0.02 2 129 18 18 ARG C C 176.275 0.1 1 130 18 18 ARG CA C 56.806 0.1 1 131 18 18 ARG CB C 29.916 0.1 1 132 18 18 ARG N N 116.323 0.1 1 133 19 19 MET H H 8.236 0.02 1 134 19 19 MET HA H 4.093 0.02 1 135 19 19 MET C C 175.419 0.1 1 136 19 19 MET CA C 53.682 0.1 1 137 19 19 MET CB C 30.914 0.1 1 138 19 19 MET N N 119.633 0.1 1 139 20 20 GLU H H 7.786 0.02 1 140 20 20 GLU HA H 4.676 0.02 1 141 20 20 GLU CA C 57.777 0.1 1 142 20 20 GLU N N 120.107 0.1 1 143 22 22 LYS H H 8.111 0.02 1 144 22 22 LYS HA H 4.583 0.02 1 145 22 22 LYS HB2 H 1.773 0.02 2 146 22 22 LYS HB3 H 1.773 0.02 2 147 22 22 LYS C C 176.160 0.1 1 148 22 22 LYS CA C 58.262 0.1 1 149 22 22 LYS CB C 33.775 0.1 1 150 22 22 LYS CG C 24.733 0.1 1 151 22 22 LYS N N 126.002 0.1 1 152 23 23 LEU H H 7.930 0.02 1 153 23 23 LEU HA H 4.952 0.02 1 154 23 23 LEU HB2 H 1.556 0.02 2 155 23 23 LEU HB3 H 1.556 0.02 2 156 23 23 LEU HG H 1.743 0.02 1 157 23 23 LEU HD1 H 0.906 0.02 2 158 23 23 LEU HD2 H 0.906 0.02 2 159 23 23 LEU C C 175.905 0.1 1 160 23 23 LEU CA C 55.049 0.1 1 161 23 23 LEU CB C 42.958 0.1 1 162 23 23 LEU CG C 28.070 0.1 1 163 23 23 LEU CD1 C 24.869 0.1 2 164 23 23 LEU CD2 C 25.210 0.1 2 165 23 23 LEU N N 121.595 0.1 1 166 24 24 HIS H H 9.250 0.02 1 167 24 24 HIS HA H 4.460 0.02 1 168 24 24 HIS HB2 H 3.294 0.02 2 169 24 24 HIS HB3 H 2.796 0.02 2 170 24 24 HIS C C 172.989 0.1 1 171 24 24 HIS CA C 55.805 0.1 1 172 24 24 HIS CB C 32.330 0.1 1 173 24 24 HIS N N 126.521 0.1 1 174 25 25 ALA H H 8.563 0.02 1 175 25 25 ALA HA H 5.297 0.02 1 176 25 25 ALA HB H 1.240 0.02 1 177 25 25 ALA C C 176.622 0.1 1 178 25 25 ALA CA C 50.829 0.1 1 179 25 25 ALA CB C 18.955 0.1 1 180 25 25 ALA N N 129.410 0.1 1 181 26 26 VAL H H 8.274 0.02 1 182 26 26 VAL HA H 4.759 0.02 1 183 26 26 VAL HB H 1.848 0.02 1 184 26 26 VAL HG1 H 0.835 0.02 2 185 26 26 VAL HG2 H 0.722 0.02 2 186 26 26 VAL CA C 58.188 0.1 1 187 26 26 VAL CB C 35.233 0.1 1 188 26 26 VAL CG1 C 21.467 0.1 2 189 26 26 VAL CG2 C 20.296 0.1 2 190 26 26 VAL N N 120.713 0.1 1 191 27 27 PRO HA H 4.527 0.02 1 192 27 27 PRO HB2 H 2.193 0.02 2 193 27 27 PRO HB3 H 1.672 0.02 2 194 27 27 PRO HG2 H 1.792 0.02 2 195 27 27 PRO HG3 H 1.981 0.02 2 196 27 27 PRO HD2 H 3.030 0.02 2 197 27 27 PRO HD3 H 3.105 0.02 2 198 27 27 PRO CA C 62.705 0.1 1 199 27 27 PRO CB C 31.834 0.1 1 200 27 27 PRO CG C 27.750 0.1 1 201 28 28 ALA H H 8.128 0.02 1 202 28 28 ALA HA H 3.813 0.02 1 203 28 28 ALA HB H 1.283 0.02 1 204 28 28 ALA C C 178.543 0.1 1 205 28 28 ALA CA C 53.530 0.1 1 206 28 28 ALA CB C 17.605 0.1 1 207 28 28 ALA N N 123.786 0.1 1 208 29 29 GLY H H 9.649 0.02 1 209 29 29 GLY HA2 H 4.426 0.02 2 210 29 29 GLY HA3 H 3.517 0.02 2 211 29 29 GLY C C 175.188 0.1 1 212 29 29 GLY CA C 44.964 0.1 1 213 29 29 GLY N N 111.166 0.1 1 214 30 30 ASN H H 7.579 0.02 1 215 30 30 ASN HA H 4.694 0.02 1 216 30 30 ASN HB2 H 2.797 0.02 2 217 30 30 ASN HB3 H 2.577 0.02 2 218 30 30 ASN C C 174.007 0.1 1 219 30 30 ASN CA C 53.226 0.1 1 220 30 30 ASN CB C 39.622 0.1 1 221 30 30 ASN N N 121.202 0.1 1 222 31 31 THR H H 8.535 0.02 1 223 31 31 THR HA H 4.954 0.02 1 224 31 31 THR HB H 3.827 0.02 1 225 31 31 THR HG2 H 0.862 0.02 1 226 31 31 THR C C 174.054 0.1 1 227 31 31 THR CA C 62.097 0.1 1 228 31 31 THR CB C 70.912 0.1 1 229 31 31 THR CG2 C 22.485 0.1 1 230 31 31 THR N N 115.980 0.1 1 231 32 32 VAL H H 8.478 0.02 1 232 32 32 VAL HA H 4.142 0.02 1 233 32 32 VAL HB H 1.267 0.02 1 234 32 32 VAL HG1 H 0.336 0.02 2 235 32 32 VAL HG2 H 0.109 0.02 2 236 32 32 VAL C C 171.461 0.1 1 237 32 32 VAL CA C 60.235 0.1 1 238 32 32 VAL CB C 35.305 0.1 1 239 32 32 VAL CG1 C 22.420 0.1 2 240 32 32 VAL CG2 C 20.953 0.1 2 241 32 32 VAL N N 125.447 0.1 1 242 33 33 LYS H H 7.593 0.02 1 243 33 33 LYS HA H 4.719 0.02 1 244 33 33 LYS HB2 H 1.293 0.02 2 245 33 33 LYS HB3 H 1.293 0.02 2 246 33 33 LYS HG2 H 0.947 0.02 2 247 33 33 LYS HG3 H 0.947 0.02 2 248 33 33 LYS C C 174.470 0.1 1 249 33 33 LYS CA C 54.106 0.1 1 250 33 33 LYS CB C 34.947 0.1 1 251 33 33 LYS CG C 29.841 0.1 1 252 33 33 LYS N N 124.067 0.1 1 253 34 34 PHE H H 8.561 0.02 1 254 34 34 PHE HA H 4.546 0.02 1 255 34 34 PHE HB2 H 2.747 0.02 2 256 34 34 PHE HB3 H 2.291 0.02 2 257 34 34 PHE C C 175.650 0.1 1 258 34 34 PHE CA C 54.015 0.1 1 259 34 34 PHE CB C 42.561 0.1 1 260 34 34 PHE N N 123.520 0.1 1 261 35 35 ARG H H 8.311 0.02 1 262 35 35 ARG HA H 5.335 0.02 1 263 35 35 ARG HB2 H 1.626 0.02 2 264 35 35 ARG HB3 H 1.626 0.02 2 265 35 35 ARG C C 176.206 0.1 1 266 35 35 ARG CA C 55.229 0.1 1 267 35 35 ARG CB C 33.888 0.1 1 268 35 35 ARG CG C 40.939 0.1 1 269 35 35 ARG N N 118.171 0.1 1 270 36 36 CYS H H 9.215 0.02 1 271 36 36 CYS HA H 4.577 0.02 1 272 36 36 CYS HB2 H 3.441 0.02 2 273 36 36 CYS HB3 H 3.441 0.02 2 274 36 36 CYS CA C 53.651 0.1 1 275 36 36 CYS CB C 47.327 0.1 1 276 36 36 CYS N N 121.927 0.1 1 277 38 38 ALA HA H 5.003 0.02 1 278 38 38 ALA HB H 0.525 0.02 1 279 38 38 ALA CA C 50.435 0.1 1 280 38 38 ALA CB C 24.666 0.1 1 281 39 39 ALA H H 7.358 0.02 1 282 39 39 ALA HA H 4.183 0.02 1 283 39 39 ALA HB H 0.773 0.02 1 284 39 39 ALA C C 174.007 0.1 1 285 39 39 ALA CA C 50.580 0.1 1 286 39 39 ALA CB C 22.136 0.1 1 287 39 39 ALA N N 118.096 0.1 1 288 40 40 GLY H H 7.684 0.02 1 289 40 40 GLY HA2 H 3.474 0.02 2 290 40 40 GLY HA3 H 3.474 0.02 2 291 40 40 GLY C C 170.397 0.1 1 292 40 40 GLY CA C 44.974 0.1 1 293 40 40 GLY N N 101.360 0.1 1 294 41 41 ASN H H 8.134 0.02 1 295 41 41 ASN HA H 4.908 0.02 1 296 41 41 ASN HB2 H 2.861 0.02 2 297 41 41 ASN HB3 H 2.697 0.02 2 298 41 41 ASN CA C 50.910 0.1 1 299 41 41 ASN CB C 41.250 0.1 1 300 41 41 ASN N N 115.113 0.1 1 301 42 42 PRO HA H 4.883 0.02 1 302 42 42 PRO HB2 H 2.587 0.02 2 303 42 42 PRO HB3 H 2.050 0.02 2 304 42 42 PRO HG2 H 1.874 0.02 2 305 42 42 PRO HG3 H 1.991 0.02 2 306 42 42 PRO HD2 H 3.822 0.02 2 307 42 42 PRO HD3 H 3.822 0.02 2 308 42 42 PRO CA C 63.083 0.1 1 309 42 42 PRO CB C 34.748 0.1 1 310 42 42 PRO CG C 26.432 0.1 1 311 42 42 PRO CD C 50.408 0.1 1 312 43 43 THR H H 8.793 0.02 1 313 43 43 THR HA H 4.663 0.02 1 314 43 43 THR HB H 4.046 0.02 1 315 43 43 THR CA C 62.722 0.1 1 316 43 43 THR CB C 69.992 0.1 1 317 43 43 THR N N 120.281 0.1 1 318 44 44 PRO HA H 4.719 0.02 1 319 44 44 PRO CA C 62.601 0.1 1 320 44 44 PRO CB C 34.020 0.1 1 321 45 45 THR H H 8.804 0.02 1 322 45 45 THR HA H 4.600 0.02 1 323 45 45 THR HB H 4.344 0.02 1 324 45 45 THR HG2 H 1.219 0.02 1 325 45 45 THR C C 173.683 0.1 1 326 45 45 THR CA C 60.416 0.1 1 327 45 45 THR CB C 71.729 0.1 1 328 45 45 THR CG2 C 21.727 0.1 1 329 45 45 THR N N 108.671 0.1 1 330 46 46 ILE H H 8.335 0.02 1 331 46 46 ILE HA H 4.406 0.02 1 332 46 46 ILE HG2 H 0.579 0.02 1 333 46 46 ILE HD1 H -0.522 0.02 1 334 46 46 ILE C C 173.105 0.1 1 335 46 46 ILE CA C 59.112 0.1 1 336 46 46 ILE CB C 41.965 0.1 1 337 46 46 ILE CG1 C 24.801 0.1 1 338 46 46 ILE CG2 C 22.077 0.1 1 339 46 46 ILE CD1 C 15.265 0.1 1 340 46 46 ILE N N 116.894 0.1 1 341 47 47 ARG H H 8.411 0.02 1 342 47 47 ARG HA H 4.759 0.02 1 343 47 47 ARG HB2 H 1.847 0.02 2 344 47 47 ARG HB3 H 1.847 0.02 2 345 47 47 ARG HG2 H 1.597 0.02 2 346 47 47 ARG HG3 H 1.669 0.02 2 347 47 47 ARG HD2 H 3.077 0.02 2 348 47 47 ARG HD3 H 3.192 0.02 2 349 47 47 ARG CA C 54.402 0.1 1 350 47 47 ARG CB C 33.324 0.1 1 351 47 47 ARG CG C 26.992 0.1 1 352 47 47 ARG CD C 43.811 0.1 1 353 47 47 ARG N N 125.353 0.1 1 354 48 48 TRP H H 8.950 0.02 1 355 48 48 TRP HA H 5.709 0.02 1 356 48 48 TRP HB2 H 3.183 0.02 2 357 48 48 TRP HB3 H 3.183 0.02 2 358 48 48 TRP C C 176.252 0.1 1 359 48 48 TRP CA C 56.635 0.1 1 360 48 48 TRP CB C 31.769 0.1 1 361 48 48 TRP N N 118.967 0.1 1 362 49 49 LEU H H 9.636 0.02 1 363 49 49 LEU HA H 5.126 0.02 1 364 49 49 LEU HB2 H 1.554 0.02 2 365 49 49 LEU HB3 H 1.101 0.02 2 366 49 49 LEU HG H 1.394 0.02 1 367 49 49 LEU HD1 H 0.666 0.02 2 368 49 49 LEU HD2 H 0.579 0.02 2 369 49 49 LEU C C 175.998 0.1 1 370 49 49 LEU CA C 53.299 0.1 1 371 49 49 LEU CB C 45.073 0.1 1 372 49 49 LEU CG C 27.727 0.1 1 373 49 49 LEU CD1 C 25.285 0.1 2 374 49 49 LEU CD2 C 23.049 0.1 2 375 49 49 LEU N N 121.537 0.1 1 376 50 50 LYS H H 8.972 0.02 1 377 50 50 LYS HA H 4.590 0.02 1 378 50 50 LYS HB2 H 1.375 0.02 2 379 50 50 LYS HB3 H 0.647 0.02 2 380 50 50 LYS C C 177.155 0.1 1 381 50 50 LYS CA C 54.743 0.1 1 382 50 50 LYS CB C 35.278 0.1 1 383 50 50 LYS CG C 29.531 0.1 1 384 50 50 LYS N N 120.330 0.1 1 385 51 51 ASP H H 9.796 0.02 1 386 51 51 ASP HA H 4.139 0.02 1 387 51 51 ASP HB2 H 2.722 0.02 2 388 51 51 ASP HB3 H 2.599 0.02 2 389 51 51 ASP C C 176.576 0.1 1 390 51 51 ASP CA C 55.957 0.1 1 391 51 51 ASP CB C 39.976 0.1 1 392 51 51 ASP N N 130.067 0.1 1 393 52 52 GLY H H 8.434 0.02 1 394 52 52 GLY HA2 H 4.120 0.02 2 395 52 52 GLY HA3 H 3.425 0.02 2 396 52 52 GLY C C 173.753 0.1 1 397 52 52 GLY CA C 45.679 0.1 1 398 52 52 GLY N N 101.011 0.1 1 399 53 53 GLN H H 7.797 0.02 1 400 53 53 GLN HA H 4.645 0.02 1 401 53 53 GLN HB2 H 2.293 0.02 2 402 53 53 GLN HB3 H 1.946 0.02 2 403 53 53 GLN C C 175.072 0.1 1 404 53 53 GLN CA C 53.530 0.1 1 405 53 53 GLN CB C 31.480 0.1 1 406 53 53 GLN CG C 33.675 0.1 1 407 53 53 GLN N N 119.199 0.1 1 408 54 54 ALA H H 8.766 0.02 1 409 54 54 ALA HA H 4.130 0.02 1 410 54 54 ALA HB H 1.403 0.02 1 411 54 54 ALA C C 177.340 0.1 1 412 54 54 ALA CA C 54.660 0.1 1 413 54 54 ALA CB C 18.667 0.1 1 414 54 54 ALA N N 125.078 0.1 1 415 55 55 PHE H H 8.362 0.02 1 416 55 55 PHE HA H 4.938 0.02 1 417 55 55 PHE HB2 H 2.858 0.02 2 418 55 55 PHE HB3 H 3.024 0.02 2 419 55 55 PHE HD1 H 7.228 0.02 3 420 55 55 PHE HD2 H 7.228 0.02 3 421 55 55 PHE HE1 H 7.345 0.02 3 422 55 55 PHE HE2 H 7.345 0.02 3 423 55 55 PHE CA C 57.045 0.1 1 424 55 55 PHE CB C 41.303 0.1 1 425 55 55 PHE CD1 C 131.742 0.1 3 426 55 55 PHE CE1 C 130.196 0.1 3 427 55 55 PHE N N 123.307 0.1 1 428 57 57 GLY HA2 H 3.638 0.02 2 429 57 57 GLY HA3 H 3.325 0.02 2 430 57 57 GLY CA C 47.346 0.1 1 431 58 58 GLU H H 9.205 0.02 1 432 58 58 GLU HA H 4.126 0.02 1 433 58 58 GLU HB2 H 1.973 0.02 2 434 58 58 GLU HB3 H 1.973 0.02 2 435 58 58 GLU HG2 H 2.249 0.02 2 436 58 58 GLU HG3 H 2.249 0.02 2 437 58 58 GLU C C 173.082 0.1 1 438 58 58 GLU CA C 58.273 0.1 1 439 58 58 GLU CB C 28.923 0.1 1 440 58 58 GLU CG C 35.898 0.1 1 441 58 58 GLU N N 119.410 0.1 1 442 59 59 ASN H H 8.010 0.02 1 443 59 59 ASN HA H 4.179 0.02 1 444 59 59 ASN HB2 H 2.824 0.02 2 445 59 59 ASN HB3 H 2.824 0.02 2 446 59 59 ASN CA C 56.381 0.1 1 447 59 59 ASN CB C 40.045 0.1 1 448 59 59 ASN N N 121.901 0.1 1 449 61 61 ILE HA H 3.908 0.02 1 450 61 61 ILE HB H 1.819 0.02 1 451 61 61 ILE HG12 H 1.522 0.02 2 452 61 61 ILE HG13 H 1.522 0.02 2 453 61 61 ILE HG2 H 1.214 0.02 1 454 61 61 ILE HD1 H 0.837 0.02 1 455 61 61 ILE CA C 62.930 0.1 1 456 61 61 ILE CB C 37.254 0.1 1 457 61 61 ILE CG1 C 27.525 0.1 1 458 61 61 ILE CG2 C 16.831 0.1 1 459 61 61 ILE CD1 C 12.532 0.1 1 460 62 62 GLY H H 8.575 0.02 1 461 62 62 GLY HA2 H 4.066 0.02 2 462 62 62 GLY HA3 H 3.701 0.02 2 463 62 62 GLY C C 175.188 0.1 1 464 62 62 GLY CA C 45.010 0.1 1 465 62 62 GLY N N 113.490 0.1 1 466 63 63 GLY H H 8.005 0.02 1 467 63 63 GLY HA2 H 3.935 0.02 2 468 63 63 GLY HA3 H 4.050 0.02 2 469 63 63 GLY CA C 45.460 0.1 1 470 63 63 GLY N N 107.761 0.1 1 471 68 68 HIS H H 8.604 0.02 1 472 68 68 HIS HA H 4.143 0.02 1 473 68 68 HIS C C 175.812 0.1 1 474 68 68 HIS CA C 57.292 0.1 1 475 68 68 HIS CB C 29.357 0.1 1 476 68 68 HIS N N 121.758 0.1 1 477 69 69 GLN H H 9.726 0.02 1 478 69 69 GLN HA H 4.528 0.02 1 479 69 69 GLN CA C 55.562 0.1 1 480 69 69 GLN CB C 32.630 0.1 1 481 69 69 GLN N N 121.449 0.1 1 482 72 72 SER H H 7.891 0.02 1 483 72 72 SER HA H 5.893 0.02 1 484 72 72 SER HB2 H 3.560 0.02 2 485 72 72 SER HB3 H 3.639 0.02 2 486 72 72 SER C C 173.012 0.1 1 487 72 72 SER CA C 57.352 0.1 1 488 72 72 SER CB C 67.917 0.1 1 489 72 72 SER N N 110.616 0.1 1 490 73 73 LEU H H 8.570 0.02 1 491 73 73 LEU HA H 4.328 0.02 1 492 73 73 LEU HB2 H 1.295 0.02 2 493 73 73 LEU HB3 H 1.295 0.02 2 494 73 73 LEU CA C 54.441 0.1 1 495 73 73 LEU CB C 42.759 0.1 1 496 73 73 LEU N N 126.656 0.1 1 497 74 74 VAL HA H 4.461 0.02 1 498 74 74 VAL HB H 1.788 0.02 1 499 74 74 VAL HG1 H 0.667 0.02 2 500 74 74 VAL HG2 H 0.600 0.02 2 501 74 74 VAL CA C 60.929 0.1 1 502 74 74 VAL CB C 34.202 0.1 1 503 74 74 VAL CG1 C 21.344 0.1 2 504 74 74 VAL CG2 C 20.909 0.1 2 505 75 75 MET H H 8.434 0.02 1 506 75 75 MET HA H 4.521 0.02 1 507 75 75 MET HB2 H 1.416 0.02 2 508 75 75 MET HB3 H 1.416 0.02 2 509 75 75 MET HG2 H 3.017 0.02 2 510 75 75 MET HG3 H 3.017 0.02 2 511 75 75 MET C C 174.054 0.1 1 512 75 75 MET CA C 54.500 0.1 1 513 75 75 MET CB C 35.212 0.1 1 514 75 75 MET CG C 31.336 0.1 1 515 75 75 MET N N 124.982 0.1 1 516 76 76 GLU H H 8.521 0.02 1 517 76 76 GLU HA H 4.364 0.02 1 518 76 76 GLU HB2 H 1.773 0.02 2 519 76 76 GLU HB3 H 1.773 0.02 2 520 76 76 GLU HG2 H 2.068 0.02 2 521 76 76 GLU HG3 H 2.068 0.02 2 522 76 76 GLU C C 176.854 0.1 1 523 76 76 GLU CA C 55.987 0.1 1 524 76 76 GLU CB C 30.985 0.1 1 525 76 76 GLU CG C 36.416 0.1 1 526 76 76 GLU N N 121.916 0.1 1 527 77 77 SER H H 8.145 0.02 1 528 77 77 SER HA H 3.495 0.02 1 529 77 77 SER HB2 H 3.918 0.02 2 530 77 77 SER HB3 H 3.606 0.02 2 531 77 77 SER C C 174.447 0.1 1 532 77 77 SER CA C 57.536 0.1 1 533 77 77 SER CB C 61.785 0.1 1 534 77 77 SER N N 115.711 0.1 1 535 78 78 VAL H H 8.304 0.02 1 536 78 78 VAL HA H 4.014 0.02 1 537 78 78 VAL HB H 2.072 0.02 1 538 78 78 VAL HG1 H 0.798 0.02 2 539 78 78 VAL HG2 H 0.758 0.02 2 540 78 78 VAL C C 176.715 0.1 1 541 78 78 VAL CA C 63.130 0.1 1 542 78 78 VAL CB C 32.684 0.1 1 543 78 78 VAL CG1 C 22.513 0.1 2 544 78 78 VAL CG2 C 20.307 0.1 2 545 78 78 VAL N N 115.090 0.1 1 546 79 79 VAL H H 9.101 0.02 1 547 79 79 VAL HA H 4.791 0.02 1 548 79 79 VAL HB H 2.404 0.02 1 549 79 79 VAL HG1 H 0.988 0.02 2 550 79 79 VAL HG2 H 0.827 0.02 2 551 79 79 VAL CA C 58.740 0.1 1 552 79 79 VAL CB C 32.896 0.1 1 553 79 79 VAL CG1 C 22.615 0.1 2 554 79 79 VAL CG2 C 19.053 0.1 2 555 79 79 VAL N N 116.645 0.1 1 556 80 80 PRO HA H 4.026 0.02 1 557 80 80 PRO HB2 H 2.003 0.02 2 558 80 80 PRO HB3 H 2.003 0.02 2 559 80 80 PRO HG2 H 2.251 0.02 2 560 80 80 PRO HG3 H 2.251 0.02 2 561 80 80 PRO HD2 H 3.354 0.02 2 562 80 80 PRO HD3 H 3.354 0.02 2 563 80 80 PRO CA C 67.338 0.1 1 564 80 80 PRO CB C 31.267 0.1 1 565 80 80 PRO CG C 28.559 0.1 1 566 80 80 PRO CD C 51.127 0.1 1 567 81 81 SER H H 8.089 0.02 1 568 81 81 SER HA H 4.296 0.02 1 569 81 81 SER HB2 H 4.132 0.02 2 570 81 81 SER HB3 H 3.877 0.02 2 571 81 81 SER C C 175.697 0.1 1 572 81 81 SER CA C 60.481 0.1 1 573 81 81 SER CB C 62.589 0.1 1 574 81 81 SER N N 109.245 0.1 1 575 82 82 ASP H H 8.716 0.02 1 576 82 82 ASP HA H 4.632 0.02 1 577 82 82 ASP HB2 H 2.882 0.02 2 578 82 82 ASP HB3 H 2.562 0.02 2 579 82 82 ASP C C 177.270 0.1 1 580 82 82 ASP CA C 55.805 0.1 1 581 82 82 ASP CB C 42.029 0.1 1 582 82 82 ASP N N 119.716 0.1 1 583 83 83 ARG H H 7.763 0.02 1 584 83 83 ARG HA H 4.078 0.02 1 585 83 83 ARG HB2 H 2.192 0.02 2 586 83 83 ARG HB3 H 1.934 0.02 2 587 83 83 ARG C C 174.933 0.1 1 588 83 83 ARG CA C 57.898 0.1 1 589 83 83 ARG CB C 30.560 0.1 1 590 83 83 ARG CG C 26.657 0.1 1 591 83 83 ARG N N 120.362 0.1 1 592 84 84 GLY H H 8.465 0.02 1 593 84 84 GLY HA2 H 4.388 0.02 2 594 84 84 GLY HA3 H 3.998 0.02 2 595 84 84 GLY C C 171.762 0.1 1 596 84 84 GLY CA C 45.297 0.1 1 597 84 84 GLY N N 108.389 0.1 1 598 85 85 THR H H 8.631 0.02 1 599 85 85 THR HA H 4.998 0.02 1 600 85 85 THR HB H 3.907 0.02 1 601 85 85 THR HG2 H 0.946 0.02 1 602 85 85 THR C C 174.470 0.1 1 603 85 85 THR CA C 62.051 0.1 1 604 85 85 THR CB C 69.829 0.1 1 605 85 85 THR CG2 C 21.243 0.1 1 606 85 85 THR N N 116.778 0.1 1 607 86 86 TYR H H 9.797 0.02 1 608 86 86 TYR HA H 5.255 0.02 1 609 86 86 TYR HB2 H 2.412 0.02 2 610 86 86 TYR HB3 H 2.601 0.02 2 611 86 86 TYR HD1 H 6.618 0.02 3 612 86 86 TYR HD2 H 6.618 0.02 3 613 86 86 TYR C C 174.979 0.1 1 614 86 86 TYR CA C 57.397 0.1 1 615 86 86 TYR CB C 40.310 0.1 1 616 86 86 TYR N N 130.267 0.1 1 617 87 87 THR H H 9.223 0.02 1 618 87 87 THR HA H 5.728 0.02 1 619 87 87 THR HB H 3.604 0.02 1 620 87 87 THR HG2 H 1.006 0.02 1 621 87 87 THR C C 174.308 0.1 1 622 87 87 THR CA C 60.529 0.1 1 623 87 87 THR CB C 72.824 0.1 1 624 87 87 THR CG2 C 21.243 0.1 1 625 87 87 THR N N 120.485 0.1 1 626 88 88 CYS H H 8.889 0.02 1 627 88 88 CYS HA H 4.431 0.02 1 628 88 88 CYS HB2 H 2.494 0.02 2 629 88 88 CYS HB3 H 1.256 0.02 2 630 88 88 CYS C C 171.924 0.1 1 631 88 88 CYS CA C 53.150 0.1 1 632 88 88 CYS CB C 43.020 0.1 1 633 88 88 CYS N N 122.035 0.1 1 634 89 89 LEU H H 8.880 0.02 1 635 89 89 LEU HA H 4.645 0.02 1 636 89 89 LEU HB2 H 1.391 0.02 2 637 89 89 LEU HB3 H 1.009 0.02 2 638 89 89 LEU C C 175.234 0.1 1 639 89 89 LEU CA C 54.150 0.1 1 640 89 89 LEU CB C 43.728 0.1 1 641 89 89 LEU CG C 27.326 0.1 1 642 89 89 LEU CD1 C 24.786 0.1 2 643 89 89 LEU CD2 C 24.251 0.1 2 644 89 89 LEU N N 125.955 0.1 1 645 90 90 VAL H H 8.909 0.02 1 646 90 90 VAL HA H 5.236 0.02 1 647 90 90 VAL HB H 1.727 0.02 1 648 90 90 VAL HG1 H 1.000 0.02 2 649 90 90 VAL HG2 H 0.563 0.02 2 650 90 90 VAL C C 175.512 0.1 1 651 90 90 VAL CA C 61.628 0.1 1 652 90 90 VAL CB C 32.967 0.1 1 653 90 90 VAL CG1 C 20.777 0.1 2 654 90 90 VAL CG2 C 22.535 0.1 2 655 90 90 VAL N N 129.676 0.1 1 656 91 91 GLU H H 8.202 0.02 1 657 91 91 GLU HA H 5.132 0.02 1 658 91 91 GLU HB2 H 1.784 0.02 2 659 91 91 GLU HB3 H 1.894 0.02 2 660 91 91 GLU HG2 H 2.033 0.02 2 661 91 91 GLU HG3 H 1.948 0.02 2 662 91 91 GLU C C 175.049 0.1 1 663 91 91 GLU CA C 55.215 0.1 1 664 91 91 GLU CB C 35.543 0.1 1 665 91 91 GLU CG C 36.570 0.1 1 666 91 91 GLU N N 123.105 0.1 1 667 92 92 ASN H H 8.872 0.02 1 668 92 92 ASN HA H 4.702 0.02 1 669 92 92 ASN HB2 H 2.545 0.02 2 670 92 92 ASN HB3 H 3.025 0.02 2 671 92 92 ASN C C 176.252 0.1 1 672 92 92 ASN CA C 52.003 0.1 1 673 92 92 ASN CB C 41.516 0.1 1 674 92 92 ASN N N 118.869 0.1 1 675 93 93 ALA H H 8.089 0.02 1 676 93 93 ALA HA H 3.996 0.02 1 677 93 93 ALA HB H 1.320 0.02 1 678 93 93 ALA C C 178.266 0.1 1 679 93 93 ALA CA C 54.644 0.1 1 680 93 93 ALA CB C 19.588 0.1 1 681 93 93 ALA N N 115.943 0.1 1 682 94 94 VAL H H 7.550 0.02 1 683 94 94 VAL HA H 4.110 0.02 1 684 94 94 VAL HB H 2.080 0.02 1 685 94 94 VAL HG1 H 0.884 0.02 2 686 94 94 VAL HG2 H 0.716 0.02 2 687 94 94 VAL C C 176.599 0.1 1 688 94 94 VAL CA C 62.100 0.1 1 689 94 94 VAL CB C 32.836 0.1 1 690 94 94 VAL CG1 C 22.179 0.1 2 691 94 94 VAL CG2 C 20.976 0.1 2 692 94 94 VAL N N 111.359 0.1 1 693 95 95 GLY H H 7.701 0.02 1 694 95 95 GLY HA2 H 4.123 0.02 2 695 95 95 GLY HA3 H 4.123 0.02 2 696 95 95 GLY C C 170.119 0.1 1 697 95 95 GLY CA C 46.381 0.1 1 698 95 95 GLY N N 106.542 0.1 1 699 96 96 SER H H 8.105 0.02 1 700 96 96 SER HA H 5.400 0.02 1 701 96 96 SER HB2 H 3.643 0.02 2 702 96 96 SER HB3 H 3.734 0.02 2 703 96 96 SER C C 173.267 0.1 1 704 96 96 SER CA C 56.635 0.1 1 705 96 96 SER CB C 66.877 0.1 1 706 96 96 SER N N 111.183 0.1 1 707 97 97 ILE H H 8.988 0.02 1 708 97 97 ILE HA H 4.564 0.02 1 709 97 97 ILE HB H 1.507 0.02 1 710 97 97 ILE HG12 H 0.664 0.02 2 711 97 97 ILE HG13 H 0.664 0.02 2 712 97 97 ILE HG2 H 0.373 0.02 1 713 97 97 ILE HD1 H -1.070 0.02 1 714 97 97 ILE C C 173.174 0.1 1 715 97 97 ILE CA C 61.054 0.1 1 716 97 97 ILE CB C 42.097 0.1 1 717 97 97 ILE CG1 C 25.922 0.1 1 718 97 97 ILE CG2 C 17.366 0.1 1 719 97 97 ILE CD1 C 10.014 0.1 1 720 97 97 ILE N N 118.423 0.1 1 721 98 98 ARG H H 8.308 0.02 1 722 98 98 ARG HA H 5.820 0.02 1 723 98 98 ARG HB2 H 1.758 0.02 2 724 98 98 ARG HB3 H 1.526 0.02 2 725 98 98 ARG HG2 H 1.365 0.02 2 726 98 98 ARG HG3 H 1.365 0.02 2 727 98 98 ARG HD2 H 2.932 0.02 2 728 98 98 ARG HD3 H 3.065 0.02 2 729 98 98 ARG C C 175.026 0.1 1 730 98 98 ARG CA C 54.418 0.1 1 731 98 98 ARG CB C 35.091 0.1 1 732 98 98 ARG CG C 25.693 0.1 1 733 98 98 ARG CD C 43.967 0.1 1 734 98 98 ARG N N 116.861 0.1 1 735 99 99 TYR H H 8.286 0.02 1 736 99 99 TYR HA H 4.430 0.02 1 737 99 99 TYR HB2 H 2.522 0.02 2 738 99 99 TYR HB3 H 2.613 0.02 2 739 99 99 TYR C C 172.572 0.1 1 740 99 99 TYR CA C 58.512 0.1 1 741 99 99 TYR CB C 44.860 0.1 1 742 99 99 TYR N N 123.271 0.1 1 743 100 100 ASN H H 6.953 0.02 1 744 100 100 ASN HA H 5.399 0.02 1 745 100 100 ASN HB2 H 2.358 0.02 2 746 100 100 ASN HB3 H 2.064 0.02 2 747 100 100 ASN C C 173.290 0.1 1 748 100 100 ASN CA C 51.782 0.1 1 749 100 100 ASN CB C 41.501 0.1 1 750 100 100 ASN N N 120.286 0.1 1 751 101 101 TYR H H 9.412 0.02 1 752 101 101 TYR HA H 4.946 0.02 1 753 101 101 TYR HB2 H 2.400 0.02 2 754 101 101 TYR HB3 H 2.049 0.02 2 755 101 101 TYR HD1 H 7.238 0.02 3 756 101 101 TYR HD2 H 7.238 0.02 3 757 101 101 TYR C C 174.817 0.1 1 758 101 101 TYR CA C 57.575 0.1 1 759 101 101 TYR CB C 42.099 0.1 1 760 101 101 TYR N N 120.103 0.1 1 761 102 102 LEU H H 8.891 0.02 1 762 102 102 LEU HA H 5.036 0.02 1 763 102 102 LEU HB2 H 1.734 0.02 2 764 102 102 LEU HB3 H 1.585 0.02 2 765 102 102 LEU HG H 1.545 0.02 1 766 102 102 LEU HD1 H 0.817 0.02 2 767 102 102 LEU HD2 H 0.817 0.02 2 768 102 102 LEU C C 174.956 0.1 1 769 102 102 LEU CA C 54.750 0.1 1 770 102 102 LEU CB C 44.697 0.1 1 771 102 102 LEU CG C 28.216 0.1 1 772 102 102 LEU CD1 C 24.852 0.1 2 773 102 102 LEU CD2 C 24.385 0.1 2 774 102 102 LEU N N 123.452 0.1 1 775 103 103 LEU H H 9.105 0.02 1 776 103 103 LEU HA H 5.484 0.02 1 777 103 103 LEU HB2 H 2.429 0.02 2 778 103 103 LEU HB3 H 1.432 0.02 2 779 103 103 LEU HG H 1.294 0.02 1 780 103 103 LEU HD1 H 0.955 0.02 2 781 103 103 LEU HD2 H 0.687 0.02 2 782 103 103 LEU C C 175.535 0.1 1 783 103 103 LEU CA C 53.871 0.1 1 784 103 103 LEU CB C 45.357 0.1 1 785 103 103 LEU CG C 28.281 0.1 1 786 103 103 LEU CD1 C 26.510 0.1 2 787 103 103 LEU CD2 C 24.623 0.1 2 788 103 103 LEU N N 125.152 0.1 1 789 104 104 ASP H H 9.284 0.02 1 790 104 104 ASP HA H 5.027 0.02 1 791 104 104 ASP HB2 H 2.454 0.02 2 792 104 104 ASP HB3 H 2.563 0.02 2 793 104 104 ASP C C 174.771 0.1 1 794 104 104 ASP CA C 52.989 0.1 1 795 104 104 ASP CB C 43.728 0.1 1 796 104 104 ASP N N 128.940 0.1 1 797 105 105 VAL H H 7.441 0.02 1 798 105 105 VAL HA H 4.798 0.02 1 799 105 105 VAL HB H 1.727 0.02 1 800 105 105 VAL HG1 H 0.699 0.02 2 801 105 105 VAL HG2 H 0.582 0.02 2 802 105 105 VAL C C 175.373 0.1 1 803 105 105 VAL CA C 61.127 0.1 1 804 105 105 VAL CB C 33.822 0.1 1 805 105 105 VAL CG1 C 20.257 0.1 2 806 105 105 VAL CG2 C 19.973 0.1 2 807 105 105 VAL N N 122.381 0.1 1 808 106 106 LEU H H 8.444 0.02 1 809 106 106 LEU HA H 4.348 0.02 1 810 106 106 LEU HB2 H 1.298 0.02 2 811 106 106 LEU HB3 H 1.298 0.02 2 812 106 106 LEU HG H 1.417 0.02 1 813 106 106 LEU HD1 H 0.636 0.02 2 814 106 106 LEU HD2 H 0.636 0.02 2 815 106 106 LEU C C 176.854 0.1 1 816 106 106 LEU CA C 54.210 0.1 1 817 106 106 LEU CB C 43.091 0.1 1 818 106 106 LEU CG C 26.791 0.1 1 819 106 106 LEU CD1 C 24.919 0.1 2 820 106 106 LEU CD2 C 22.446 0.1 2 821 106 106 LEU N N 128.231 0.1 1 822 107 107 LEU H H 8.442 0.02 1 823 107 107 LEU HA H 4.407 0.02 1 824 107 107 LEU HB2 H 1.502 0.02 2 825 107 107 LEU HB3 H 1.502 0.02 2 826 107 107 LEU HG H 1.584 0.02 1 827 107 107 LEU HD1 H 0.875 0.02 2 828 107 107 LEU HD2 H 0.801 0.02 2 829 107 107 LEU C C 177.247 0.1 1 830 107 107 LEU CA C 54.671 0.1 1 831 107 107 LEU CB C 42.892 0.1 1 832 107 107 LEU CG C 27.259 0.1 1 833 107 107 LEU CD1 C 24.518 0.1 2 834 107 107 LEU CD2 C 23.582 0.1 2 835 107 107 LEU N N 123.596 0.1 1 836 108 108 GLU H H 8.325 0.02 1 837 108 108 GLU HA H 4.281 0.02 1 838 108 108 GLU HB2 H 1.820 0.02 2 839 108 108 GLU HB3 H 1.820 0.02 2 840 108 108 GLU HG2 H 1.952 0.02 2 841 108 108 GLU HG3 H 1.952 0.02 2 842 108 108 GLU C C 176.414 0.1 1 843 108 108 GLU CA C 56.837 0.1 1 844 108 108 GLU CB C 30.379 0.1 1 845 108 108 GLU CG C 43.367 0.1 1 846 108 108 GLU N N 121.290 0.1 1 847 109 109 HIS H H 7.331 0.02 1 848 109 109 HIS HA H 4.744 0.02 1 849 109 109 HIS HB2 H 1.364 0.02 2 850 109 109 HIS HB3 H 1.833 0.02 2 851 109 109 HIS C C 176.275 0.1 1 852 109 109 HIS CA C 55.227 0.1 1 853 109 109 HIS CB C 33.623 0.1 1 854 109 109 HIS N N 117.105 0.1 1 855 110 110 HIS H H 7.332 0.02 1 856 110 110 HIS HA H 3.097 0.02 1 857 110 110 HIS HB2 H 2.031 0.02 2 858 110 110 HIS HB3 H 2.031 0.02 2 859 110 110 HIS C C 176.993 0.1 1 860 110 110 HIS CA C 59.385 0.1 1 861 110 110 HIS CB C 30.631 0.1 1 862 110 110 HIS N N 119.894 0.1 1 863 111 111 HIS H H 8.180 0.02 1 864 111 111 HIS HA H 4.369 0.02 1 865 111 111 HIS HB2 H 1.857 0.02 2 866 111 111 HIS HB3 H 1.658 0.02 2 867 111 111 HIS CA C 56.594 0.1 1 868 111 111 HIS CB C 31.268 0.1 1 869 111 111 HIS N N 120.215 0.1 1 870 112 112 HIS H H 8.422 0.02 1 871 112 112 HIS HA H 4.492 0.02 1 872 112 112 HIS HB2 H 3.050 0.02 2 873 112 112 HIS HB3 H 3.050 0.02 2 874 112 112 HIS C C 174.424 0.1 1 875 112 112 HIS CA C 56.017 0.1 1 876 112 112 HIS CB C 29.187 0.1 1 877 112 112 HIS N N 119.747 0.1 1 878 113 113 HIS H H 8.170 0.02 1 879 113 113 HIS HA H 4.361 0.02 1 880 113 113 HIS HB2 H 3.158 0.02 2 881 113 113 HIS HB3 H 3.014 0.02 2 882 113 113 HIS CA C 57.828 0.1 1 883 113 113 HIS CB C 30.631 0.1 1 884 113 113 HIS N N 125.021 0.1 1 stop_ save_