data_34037 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; recombinant mouse Nerve Growth Factor ; _BMRB_accession_number 34037 _BMRB_flat_file_name bmr34037.str _Entry_type original _Submission_date 2016-08-25 _Accession_date 2016-08-25 _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 Paoletti F. . . 2 'de Chiara' C. . . 3 Kelly G. . . 4 Lamba D. . . 5 Cattaneo A. . . 6 Pastore A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1254 "13C chemical shifts" 1008 "15N chemical shifts" 246 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-30 original BMRB . stop_ _Original_release_date 2017-06-29 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Rigidity within Plasticity Promotes Differential Target Recognition of Nerve Growth Factor. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28083536 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Paoletti F. . . 2 'de Chiara' C. . . 3 Kelly G. . . 4 Covaceuszach S. . . 5 Malerba F. . . 6 Yan R. . . 7 Lamba D. . . 8 Cattaneo A. . . 9 Pastore A. . . stop_ _Journal_abbreviation 'Front. Mol. Biosci.' _Journal_volume 3 _Journal_issue . _Journal_ISSN 2296-889X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 83 _Page_last 83 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Beta-nerve growth factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $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 13277.009 _Mol_thiol_state . _Details 'NGF is a homodimer' ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; SSTHPVFHMGEFSVCDSVSV WVGDKTTATDIKGKEVTVLA EVNINNSVFRQYFFETKCRA SNPVESGCRGIDSKHWNSYC TTTHTFVKALTTDEKQAAWR FIRIDTACVCVLSRKATR ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 THR 4 HIS 5 PRO 6 VAL 7 PHE 8 HIS 9 MET 10 GLY 11 GLU 12 PHE 13 SER 14 VAL 15 CYS 16 ASP 17 SER 18 VAL 19 SER 20 VAL 21 TRP 22 VAL 23 GLY 24 ASP 25 LYS 26 THR 27 THR 28 ALA 29 THR 30 ASP 31 ILE 32 LYS 33 GLY 34 LYS 35 GLU 36 VAL 37 THR 38 VAL 39 LEU 40 ALA 41 GLU 42 VAL 43 ASN 44 ILE 45 ASN 46 ASN 47 SER 48 VAL 49 PHE 50 ARG 51 GLN 52 TYR 53 PHE 54 PHE 55 GLU 56 THR 57 LYS 58 CYS 59 ARG 60 ALA 61 SER 62 ASN 63 PRO 64 VAL 65 GLU 66 SER 67 GLY 68 CYS 69 ARG 70 GLY 71 ILE 72 ASP 73 SER 74 LYS 75 HIS 76 TRP 77 ASN 78 SER 79 TYR 80 CYS 81 THR 82 THR 83 THR 84 HIS 85 THR 86 PHE 87 VAL 88 LYS 89 ALA 90 LEU 91 THR 92 THR 93 ASP 94 GLU 95 LYS 96 GLN 97 ALA 98 ALA 99 TRP 100 ARG 101 PHE 102 ILE 103 ARG 104 ILE 105 ASP 106 THR 107 ALA 108 CYS 109 VAL 110 CYS 111 VAL 112 LEU 113 SER 114 ARG 115 LYS 116 ALA 117 THR 118 ARG 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 _Gene_mnemonic $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Ngf, Ngfb' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.1 mM [U-99% 13C; U-99% 15N] Nerve Growth Factor, 50 mM sodium phosphate, 1 mM EDTA, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 1 mM 'natural abundance' $entity_1 0.1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version 2.3.2 loop_ _Vendor _Address _Electronic_address ARIA ; Rieping W., Habeck M., Bardiaux B., Bernard A., Malliavin T.E., Nilges M. (2007) ARIA2: automated NOE assignment and data integration in NMR structure calculation Bioinformatics 23:381-382 ; . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 7 . pH pressure 1 . atm temperature 303 . 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 7 . pH pressure 1 . atm temperature 308 . 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 water C 13 protons ppm 0.0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.725 internal direct . . . 1 water N 15 protons ppm 0.0 internal 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCO' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aromatic' 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, 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 2 2 SER H H 8.379 0.020 1 2 2 2 SER HA H 4.630 0.020 1 3 2 2 SER HB3 H 3.885 0.020 1 4 2 2 SER CA C 58.544 0.3 1 5 2 2 SER CB C 63.908 0.3 1 6 2 2 SER N N 110.528 0.3 1 7 3 3 THR H H 7.856 0.020 1 8 3 3 THR HA H 4.750 0.020 1 9 3 3 THR HB H 4.395 0.020 1 10 3 3 THR HG2 H 1.243 0.020 1 11 3 3 THR C C 175.885 0.3 1 12 3 3 THR CA C 62.323 0.3 1 13 3 3 THR CB C 70.082 0.3 1 14 3 3 THR CG2 C 21.992 0.3 1 15 3 3 THR N N 120.854 0.3 1 16 4 4 HIS H H 9.042 0.020 1 17 4 4 HIS HA H 4.846 0.020 1 18 4 4 HIS HB2 H 3.040 0.020 2 19 4 4 HIS HB3 H 2.932 0.020 2 20 4 4 HIS HD2 H 6.987 0.020 1 21 4 4 HIS HE1 H 7.625 0.020 1 22 4 4 HIS CA C 54.565 0.3 1 23 4 4 HIS CB C 30.418 0.3 1 24 4 4 HIS CD2 C 120.289 0.3 1 25 4 4 HIS CE1 C 138.559 0.3 1 26 4 4 HIS N N 124.906 0.3 1 27 5 5 PRO HA H 4.389 0.020 1 28 5 5 PRO HB2 H 2.155 0.020 2 29 5 5 PRO HB3 H 1.685 0.020 2 30 5 5 PRO HG2 H 2.011 0.020 2 31 5 5 PRO HG3 H 1.925 0.020 2 32 5 5 PRO HD2 H 3.417 0.020 2 33 5 5 PRO HD3 H 3.701 0.020 2 34 5 5 PRO C C 176.412 0.3 1 35 5 5 PRO CA C 63.266 0.3 1 36 5 5 PRO CB C 32.129 0.3 1 37 5 5 PRO CG C 27.391 0.3 1 38 5 5 PRO CD C 50.679 0.3 1 39 6 6 VAL H H 8.196 0.020 1 40 6 6 VAL HA H 4.035 0.020 1 41 6 6 VAL HB H 1.908 0.020 1 42 6 6 VAL HG1 H 0.763 0.020 2 43 6 6 VAL HG2 H 0.853 0.020 2 44 6 6 VAL C C 175.657 0.3 1 45 6 6 VAL CA C 62.313 0.3 1 46 6 6 VAL CB C 33.074 0.3 1 47 6 6 VAL CG1 C 21.130 0.3 1 48 6 6 VAL CG2 C 20.710 0.3 1 49 6 6 VAL N N 119.912 0.3 1 50 7 7 PHE H H 8.154 0.020 1 51 7 7 PHE HA H 4.674 0.020 1 52 7 7 PHE HB2 H 3.106 0.020 2 53 7 7 PHE HB3 H 2.921 0.020 2 54 7 7 PHE HD1 H 7.155 0.020 1 55 7 7 PHE HE1 H 7.218 0.020 1 56 7 7 PHE HZ H 6.902 0.020 1 57 7 7 PHE C C 174.957 0.3 1 58 7 7 PHE CA C 57.148 0.3 1 59 7 7 PHE CB C 39.838 0.3 1 60 7 7 PHE CD1 C 131.578 0.3 1 61 7 7 PHE CE1 C 129.654 0.3 1 62 7 7 PHE CZ C 131.264 0.3 1 63 7 7 PHE N N 123.336 0.3 1 64 8 8 HIS H H 8.238 0.020 1 65 8 8 HIS HA H 4.609 0.020 1 66 8 8 HIS HB2 H 3.008 0.020 2 67 8 8 HIS HB3 H 3.128 0.020 2 68 8 8 HIS HD2 H 6.972 0.020 1 69 8 8 HIS HE1 H 8.108 0.020 1 70 8 8 HIS C C 175.022 0.3 1 71 8 8 HIS CA C 56.342 0.3 1 72 8 8 HIS CB C 30.972 0.3 1 73 8 8 HIS CD2 C 120.057 0.3 1 74 8 8 HIS CE1 C 137.096 0.3 1 75 8 8 HIS N N 122.658 0.3 1 76 9 9 MET H H 8.301 0.020 1 77 9 9 MET HA H 4.471 0.020 1 78 9 9 MET HB2 H 2.124 0.020 2 79 9 9 MET HB3 H 1.996 0.020 2 80 9 9 MET HG2 H 2.554 0.020 2 81 9 9 MET HG3 H 2.487 0.020 2 82 9 9 MET HE H 2.082 0.020 1 83 9 9 MET C C 176.410 0.3 1 84 9 9 MET CA C 55.986 0.3 1 85 9 9 MET CB C 32.609 0.3 1 86 9 9 MET CG C 32.121 0.3 1 87 9 9 MET CE C 16.970 0.3 1 88 9 9 MET N N 121.186 0.3 1 89 10 10 GLY H H 8.466 0.020 1 90 10 10 GLY HA2 H 4.004 0.020 2 91 10 10 GLY HA3 H 3.921 0.020 2 92 10 10 GLY C C 173.471 0.3 1 93 10 10 GLY CA C 45.373 0.3 1 94 10 10 GLY N N 110.525 0.3 1 95 11 11 GLU H H 8.028 0.020 1 96 11 11 GLU HA H 4.700 0.020 1 97 11 11 GLU HB3 H 1.883 0.020 1 98 11 11 GLU HG2 H 2.211 0.020 2 99 11 11 GLU HG3 H 2.113 0.020 2 100 11 11 GLU C C 176.081 0.3 1 101 11 11 GLU CA C 56.061 0.3 1 102 11 11 GLU CB C 29.200 0.3 1 103 11 11 GLU CG C 37.535 0.3 1 104 11 11 GLU N N 119.740 0.3 1 105 12 12 PHE H H 8.537 0.020 1 106 12 12 PHE HA H 4.750 0.020 1 107 12 12 PHE HB2 H 3.118 0.020 2 108 12 12 PHE HB3 H 2.715 0.020 2 109 12 12 PHE HD1 H 7.217 0.020 1 110 12 12 PHE HE1 H 7.254 0.020 1 111 12 12 PHE HZ H 6.900 0.020 1 112 12 12 PHE C C 174.339 0.3 1 113 12 12 PHE CA C 56.145 0.3 1 114 12 12 PHE CB C 41.952 0.3 1 115 12 12 PHE CD1 C 132.442 0.3 1 116 12 12 PHE CE1 C 131.292 0.3 1 117 12 12 PHE CZ C 128.900 0.3 1 118 12 12 PHE N N 118.338 0.3 1 119 13 13 SER H H 8.534 0.020 1 120 13 13 SER HA H 4.773 0.020 1 121 13 13 SER HB2 H 3.788 0.020 2 122 13 13 SER HB3 H 3.916 0.020 2 123 13 13 SER C C 174.536 0.3 1 124 13 13 SER CA C 57.099 0.3 1 125 13 13 SER CB C 64.712 0.3 1 126 13 13 SER N N 115.531 0.3 1 127 14 14 VAL H H 7.216 0.020 1 128 14 14 VAL HA H 4.047 0.020 1 129 14 14 VAL HB H 2.150 0.020 1 130 14 14 VAL HG1 H 1.003 0.020 2 131 14 14 VAL HG2 H 0.850 0.020 2 132 14 14 VAL C C 175.421 0.3 1 133 14 14 VAL CA C 63.630 0.3 1 134 14 14 VAL CB C 32.353 0.3 1 135 14 14 VAL CG1 C 22.599 0.3 1 136 14 14 VAL CG2 C 23.378 0.3 1 137 14 14 VAL N N 116.479 0.3 1 138 15 15 CYS H H 7.040 0.020 1 139 15 15 CYS HA H 4.700 0.020 1 140 15 15 CYS HB2 H 2.665 0.020 2 141 15 15 CYS HB3 H 3.106 0.020 2 142 15 15 CYS C C 175.208 0.3 1 143 15 15 CYS CA C 54.507 0.3 1 144 15 15 CYS CB C 47.589 0.3 1 145 15 15 CYS N N 114.284 0.3 1 146 16 16 ASP H H 7.811 0.020 1 147 16 16 ASP HA H 5.179 0.020 1 148 16 16 ASP HB2 H 2.760 0.020 2 149 16 16 ASP HB3 H 2.870 0.020 2 150 16 16 ASP C C 175.417 0.3 1 151 16 16 ASP CA C 57.526 0.3 1 152 16 16 ASP CB C 42.500 0.3 1 153 16 16 ASP N N 125.525 0.3 1 154 17 17 SER H H 8.934 0.020 1 155 17 17 SER HA H 5.162 0.020 1 156 17 17 SER HB2 H 3.537 0.020 2 157 17 17 SER HB3 H 3.675 0.020 2 158 17 17 SER C C 172.613 0.3 1 159 17 17 SER CA C 57.253 0.3 1 160 17 17 SER CB C 67.008 0.3 1 161 17 17 SER N N 118.963 0.3 1 162 18 18 VAL H H 8.661 0.020 1 163 18 18 VAL HA H 4.449 0.020 1 164 18 18 VAL HB H 1.833 0.020 1 165 18 18 VAL HG1 H 0.811 0.020 2 166 18 18 VAL HG2 H 0.722 0.020 2 167 18 18 VAL C C 174.123 0.3 1 168 18 18 VAL CA C 60.888 0.3 1 169 18 18 VAL CB C 34.884 0.3 1 170 18 18 VAL CG1 C 20.246 0.3 1 171 18 18 VAL CG2 C 21.155 0.3 1 172 18 18 VAL N N 119.594 0.3 1 173 19 19 SER H H 8.509 0.020 1 174 19 19 SER HA H 5.404 0.020 1 175 19 19 SER HB2 H 3.249 0.020 2 176 19 19 SER HB3 H 3.121 0.020 2 177 19 19 SER C C 173.044 0.3 1 178 19 19 SER CA C 57.542 0.3 1 179 19 19 SER CB C 65.283 0.3 1 180 19 19 SER N N 123.331 0.3 1 181 20 20 VAL H H 8.739 0.020 1 182 20 20 VAL HA H 4.457 0.020 1 183 20 20 VAL HB H 2.026 0.020 1 184 20 20 VAL HG1 H 0.856 0.020 2 185 20 20 VAL HG2 H 0.830 0.020 2 186 20 20 VAL C C 173.461 0.3 1 187 20 20 VAL CA C 59.829 0.3 1 188 20 20 VAL CB C 36.591 0.3 1 189 20 20 VAL CG1 C 21.606 0.3 1 190 20 20 VAL CG2 C 20.276 0.3 1 191 20 20 VAL N N 121.143 0.3 1 192 21 21 TRP H H 8.437 0.020 1 193 21 21 TRP HA H 5.188 0.020 1 194 21 21 TRP HB2 H 3.007 0.020 2 195 21 21 TRP HB3 H 3.159 0.020 2 196 21 21 TRP HD1 H 7.299 0.020 1 197 21 21 TRP HE1 H 9.868 0.020 1 198 21 21 TRP HE3 H 7.220 0.020 1 199 21 21 TRP HZ2 H 6.432 0.020 1 200 21 21 TRP HZ3 H 6.119 0.020 1 201 21 21 TRP HH2 H 5.616 0.020 1 202 21 21 TRP C C 176.970 0.3 1 203 21 21 TRP CA C 56.868 0.3 1 204 21 21 TRP CB C 29.762 0.3 1 205 21 21 TRP CD1 C 127.326 0.3 1 206 21 21 TRP CE3 C 119.230 0.3 1 207 21 21 TRP CZ2 C 114.443 0.3 1 208 21 21 TRP CZ3 C 121.480 0.3 1 209 21 21 TRP CH2 C 123.310 0.3 1 210 21 21 TRP N N 122.418 0.3 1 211 21 21 TRP NE1 N 129.155 0.3 1 212 22 22 VAL H H 9.954 0.020 1 213 22 22 VAL HA H 4.471 0.020 1 214 22 22 VAL HB H 2.425 0.020 1 215 22 22 VAL HG1 H 1.111 0.020 2 216 22 22 VAL HG2 H 1.237 0.020 2 217 22 22 VAL C C 176.433 0.3 1 218 22 22 VAL CA C 62.701 0.3 1 219 22 22 VAL CB C 34.184 0.3 1 220 22 22 VAL CG1 C 21.497 0.3 1 221 22 22 VAL CG2 C 22.173 0.3 1 222 22 22 VAL N N 126.159 0.3 1 223 23 23 GLY H H 9.107 0.020 1 224 23 23 GLY HA2 H 4.565 0.020 2 225 23 23 GLY HA3 H 3.280 0.020 2 226 23 23 GLY C C 173.555 0.3 1 227 23 23 GLY CA C 45.201 0.3 1 228 23 23 GLY N N 115.860 0.3 1 229 24 24 ASP H H 8.120 0.020 1 230 24 24 ASP HA H 4.781 0.020 1 231 24 24 ASP HB2 H 2.998 0.020 2 232 24 24 ASP HB3 H 2.488 0.020 2 233 24 24 ASP C C 175.789 0.3 1 234 24 24 ASP CA C 52.125 0.3 1 235 24 24 ASP CB C 40.536 0.3 1 236 24 24 ASP N N 120.535 0.3 1 237 25 25 LYS H H 8.537 0.020 1 238 25 25 LYS HA H 4.177 0.020 1 239 25 25 LYS HB2 H 1.780 0.020 2 240 25 25 LYS HB3 H 1.703 0.020 2 241 25 25 LYS HG2 H 1.266 0.020 2 242 25 25 LYS HG3 H 1.373 0.020 2 243 25 25 LYS HD2 H 1.663 0.020 2 244 25 25 LYS HD3 H 1.434 0.020 2 245 25 25 LYS HE2 H 2.450 0.020 2 246 25 25 LYS HE3 H 2.630 0.020 2 247 25 25 LYS C C 176.690 0.3 1 248 25 25 LYS CA C 57.710 0.3 1 249 25 25 LYS CB C 33.700 0.3 1 250 25 25 LYS CG C 24.795 0.3 1 251 25 25 LYS CD C 28.754 0.3 1 252 25 25 LYS CE C 39.970 0.3 1 253 25 25 LYS N N 123.022 0.3 1 254 26 26 THR H H 8.610 0.020 1 255 26 26 THR HA H 4.659 0.020 1 256 26 26 THR HB H 4.161 0.020 1 257 26 26 THR HG2 H 1.126 0.020 1 258 26 26 THR C C 175.546 0.3 1 259 26 26 THR CA C 62.212 0.3 1 260 26 26 THR CB C 70.152 0.3 1 261 26 26 THR CG2 C 21.600 0.3 1 262 26 26 THR N N 116.162 0.3 1 263 27 27 THR H H 7.877 0.020 1 264 27 27 THR HA H 5.238 0.020 1 265 27 27 THR HB H 4.025 0.020 1 266 27 27 THR HG2 H 1.155 0.020 1 267 27 27 THR C C 172.459 0.3 1 268 27 27 THR CA C 60.695 0.3 1 269 27 27 THR CB C 71.768 0.3 1 270 27 27 THR CG2 C 21.687 0.3 1 271 27 27 THR N N 116.492 0.3 1 272 28 28 ALA H H 8.777 0.020 1 273 28 28 ALA HA H 4.568 0.020 1 274 28 28 ALA HB H 1.109 0.020 1 275 28 28 ALA C C 174.513 0.3 1 276 28 28 ALA CA C 50.953 0.3 1 277 28 28 ALA CB C 23.805 0.3 1 278 28 28 ALA N N 124.266 0.3 1 279 29 29 THR H H 8.858 0.020 1 280 29 29 THR HA H 4.910 0.020 1 281 29 29 THR HB H 3.725 0.020 1 282 29 29 THR HG2 H 1.216 0.020 1 283 29 29 THR C C 174.251 0.3 1 284 29 29 THR CA C 61.578 0.3 1 285 29 29 THR CB C 70.355 0.3 1 286 29 29 THR CG2 C 21.973 0.3 1 287 29 29 THR N N 116.147 0.3 1 288 30 30 ASP H H 9.358 0.020 1 289 30 30 ASP HA H 5.387 0.020 1 290 30 30 ASP HB2 H 3.340 0.020 2 291 30 30 ASP HB3 H 2.500 0.020 2 292 30 30 ASP C C 179.547 0.3 1 293 30 30 ASP CA C 52.691 0.3 1 294 30 30 ASP CB C 42.731 0.3 1 295 30 30 ASP N N 126.156 0.3 1 296 31 31 ILE H H 7.713 0.020 1 297 31 31 ILE HA H 3.847 0.020 1 298 31 31 ILE HB H 1.353 0.020 1 299 31 31 ILE HG12 H 0.761 0.020 2 300 31 31 ILE HG13 H 0.794 0.020 2 301 31 31 ILE HG2 H 0.890 0.020 1 302 31 31 ILE HD1 H 0.152 0.020 1 303 31 31 ILE C C 175.348 0.3 1 304 31 31 ILE CA C 63.682 0.3 1 305 31 31 ILE CB C 39.610 0.3 1 306 31 31 ILE CG1 C 29.031 0.3 1 307 31 31 ILE CG2 C 16.674 0.3 1 308 31 31 ILE CD1 C 14.450 0.3 1 309 31 31 ILE N N 117.420 0.3 1 310 32 32 LYS H H 7.872 0.020 1 311 32 32 LYS HA H 4.375 0.020 1 312 32 32 LYS HB3 H 2.007 0.020 1 313 32 32 LYS HG2 H 1.342 0.020 2 314 32 32 LYS HG3 H 1.456 0.020 2 315 32 32 LYS HD3 H 1.646 0.020 1 316 32 32 LYS HE3 H 2.942 0.020 1 317 32 32 LYS C C 176.834 0.3 1 318 32 32 LYS CA C 55.684 0.3 1 319 32 32 LYS CB C 32.136 0.3 1 320 32 32 LYS CG C 25.646 0.3 1 321 32 32 LYS CD C 28.989 0.3 1 322 32 32 LYS CE C 42.255 0.3 1 323 32 32 LYS N N 121.152 0.3 1 324 33 33 GLY H H 8.180 0.020 1 325 33 33 GLY HA2 H 3.471 0.020 2 326 33 33 GLY HA3 H 4.246 0.020 2 327 33 33 GLY C C 173.826 0.3 1 328 33 33 GLY CA C 45.337 0.3 1 329 33 33 GLY N N 108.655 0.3 1 330 34 34 LYS H H 8.679 0.020 1 331 34 34 LYS HA H 4.422 0.020 1 332 34 34 LYS HB2 H 1.936 0.020 2 333 34 34 LYS HB3 H 1.719 0.020 2 334 34 34 LYS HG2 H 1.351 0.020 2 335 34 34 LYS HG3 H 1.377 0.020 2 336 34 34 LYS HD3 H 1.661 0.020 1 337 34 34 LYS HE2 H 2.934 0.020 2 338 34 34 LYS HE3 H 2.820 0.020 2 339 34 34 LYS C C 175.384 0.3 1 340 34 34 LYS CA C 54.920 0.3 1 341 34 34 LYS CB C 33.527 0.3 1 342 34 34 LYS CG C 24.775 0.3 1 343 34 34 LYS CD C 29.087 0.3 1 344 34 34 LYS CE C 41.948 0.3 1 345 34 34 LYS N N 124.277 0.3 1 346 35 35 GLU H H 8.466 0.020 1 347 35 35 GLU HA H 4.818 0.020 1 348 35 35 GLU HB3 H 1.928 0.020 1 349 35 35 GLU HG2 H 2.111 0.020 2 350 35 35 GLU HG3 H 2.207 0.020 2 351 35 35 GLU C C 176.544 0.3 1 352 35 35 GLU CA C 56.619 0.3 1 353 35 35 GLU CB C 30.120 0.3 1 354 35 35 GLU CG C 37.163 0.3 1 355 35 35 GLU N N 124.297 0.3 1 356 36 36 VAL H H 9.147 0.020 1 357 36 36 VAL HA H 4.830 0.020 1 358 36 36 VAL HB H 2.087 0.020 1 359 36 36 VAL HG1 H 0.779 0.020 2 360 36 36 VAL HG2 H 0.628 0.020 2 361 36 36 VAL C C 174.264 0.3 1 362 36 36 VAL CA C 58.986 0.3 1 363 36 36 VAL CB C 35.753 0.3 1 364 36 36 VAL CG1 C 22.010 0.3 1 365 36 36 VAL CG2 C 18.608 0.3 1 366 36 36 VAL N N 118.977 0.3 1 367 37 37 THR H H 8.403 0.020 1 368 37 37 THR HA H 4.770 0.020 1 369 37 37 THR HB H 4.142 0.020 1 370 37 37 THR HG2 H 1.120 0.020 1 371 37 37 THR C C 174.323 0.3 1 372 37 37 THR CA C 62.260 0.3 1 373 37 37 THR CB C 69.805 0.3 1 374 37 37 THR CG2 C 21.707 0.3 1 375 37 37 THR N N 117.399 0.3 1 376 38 38 VAL H H 8.326 0.020 1 377 38 38 VAL HA H 3.823 0.020 1 378 38 38 VAL HB H 1.818 0.020 1 379 38 38 VAL HG1 H 0.905 0.020 2 380 38 38 VAL HG2 H 0.491 0.020 2 381 38 38 VAL C C 174.973 0.3 1 382 38 38 VAL CA C 62.156 0.3 1 383 38 38 VAL CB C 32.421 0.3 1 384 38 38 VAL CG1 C 22.040 0.3 1 385 38 38 VAL CG2 C 22.523 0.3 1 386 38 38 VAL N N 128.028 0.3 1 387 39 39 LEU H H 7.267 0.020 1 388 39 39 LEU HA H 4.256 0.020 1 389 39 39 LEU HB2 H 1.118 0.020 2 390 39 39 LEU HB3 H 1.586 0.020 2 391 39 39 LEU HG H 1.431 0.020 1 392 39 39 LEU HD1 H 0.714 0.020 2 393 39 39 LEU HD2 H 0.754 0.020 2 394 39 39 LEU C C 177.648 0.3 1 395 39 39 LEU CA C 55.035 0.3 1 396 39 39 LEU CB C 41.355 0.3 1 397 39 39 LEU CG C 28.721 0.3 1 398 39 39 LEU CD1 C 24.793 0.3 1 399 39 39 LEU CD2 C 23.399 0.3 1 400 39 39 LEU N N 127.407 0.3 1 401 40 40 ALA H H 8.512 0.020 1 402 40 40 ALA HA H 4.285 0.020 1 403 40 40 ALA HB H 1.449 0.020 1 404 40 40 ALA C C 178.154 0.3 1 405 40 40 ALA CA C 54.957 0.3 1 406 40 40 ALA CB C 19.414 0.3 1 407 40 40 ALA N N 124.579 0.3 1 408 41 41 GLU H H 7.581 0.020 1 409 41 41 GLU HA H 4.874 0.020 1 410 41 41 GLU HB2 H 1.965 0.020 2 411 41 41 GLU HB3 H 1.709 0.020 2 412 41 41 GLU HG3 H 1.913 0.020 1 413 41 41 GLU C C 174.092 0.3 1 414 41 41 GLU CA C 54.380 0.3 1 415 41 41 GLU CB C 33.778 0.3 1 416 41 41 GLU CG C 36.614 0.3 1 417 41 41 GLU N N 113.348 0.3 1 418 42 42 VAL H H 8.538 0.020 1 419 42 42 VAL HA H 3.923 0.020 1 420 42 42 VAL HB H 1.110 0.020 1 421 42 42 VAL HG1 H 0.430 0.020 2 422 42 42 VAL HG2 H 0.600 0.020 2 423 42 42 VAL C C 173.123 0.3 1 424 42 42 VAL CA C 60.214 0.3 1 425 42 42 VAL CB C 33.800 0.3 1 426 42 42 VAL CG1 C 20.798 0.3 1 427 42 42 VAL CG2 C 21.850 0.3 1 428 42 42 VAL N N 119.278 0.3 1 429 43 43 ASN H H 7.978 0.020 1 430 43 43 ASN HA H 5.143 0.020 1 431 43 43 ASN HB2 H 2.780 0.020 2 432 43 43 ASN HB3 H 2.475 0.020 2 433 43 43 ASN HD21 H 7.242 0.020 1 434 43 43 ASN HD22 H 6.667 0.020 1 435 43 43 ASN C C 175.066 0.3 1 436 43 43 ASN CA C 51.986 0.3 1 437 43 43 ASN CB C 39.713 0.3 1 438 43 43 ASN N N 123.340 0.3 1 439 43 43 ASN ND2 N 110.598 0.3 1 440 44 44 ILE H H 8.583 0.020 1 441 44 44 ILE HA H 4.344 0.020 1 442 44 44 ILE HB H 1.758 0.020 1 443 44 44 ILE HG12 H 0.932 0.020 2 444 44 44 ILE HG13 H 1.300 0.020 2 445 44 44 ILE HG2 H 0.858 0.020 1 446 44 44 ILE HD1 H 0.485 0.020 1 447 44 44 ILE C C 174.147 0.3 1 448 44 44 ILE CA C 60.104 0.3 1 449 44 44 ILE CB C 39.923 0.3 1 450 44 44 ILE CG1 C 27.039 0.3 1 451 44 44 ILE CG2 C 17.769 0.3 1 452 44 44 ILE CD1 C 13.255 0.3 1 453 44 44 ILE N N 123.976 0.3 1 454 45 45 ASN H H 8.050 0.020 1 455 45 45 ASN HA H 4.720 0.020 1 456 45 45 ASN HB2 H 3.101 0.020 2 457 45 45 ASN HB3 H 2.895 0.020 2 458 45 45 ASN HD21 H 7.661 0.020 1 459 45 45 ASN HD22 H 7.010 0.020 1 460 45 45 ASN C C 174.758 0.3 1 461 45 45 ASN CA C 50.587 0.3 1 462 45 45 ASN CB C 37.450 0.3 1 463 45 45 ASN N N 117.111 0.3 1 464 45 45 ASN ND2 N 112.353 0.3 1 465 46 46 ASN H H 8.513 0.020 1 466 46 46 ASN HA H 4.412 0.020 1 467 46 46 ASN HB3 H 3.066 0.020 1 468 46 46 ASN HD21 H 7.546 0.020 1 469 46 46 ASN HD22 H 6.886 0.020 1 470 46 46 ASN C C 174.552 0.3 1 471 46 46 ASN CA C 54.945 0.3 1 472 46 46 ASN CB C 37.744 0.3 1 473 46 46 ASN N N 111.795 0.3 1 474 46 46 ASN ND2 N 113.188 0.3 1 475 47 47 SER H H 7.875 0.020 1 476 47 47 SER HA H 4.451 0.020 1 477 47 47 SER HB2 H 3.920 0.020 2 478 47 47 SER HB3 H 3.861 0.020 2 479 47 47 SER C C 172.361 0.3 1 480 47 47 SER CA C 58.071 0.3 1 481 47 47 SER CB C 65.059 0.3 1 482 47 47 SER N N 116.234 0.3 1 483 48 48 VAL H H 8.278 0.020 1 484 48 48 VAL HA H 4.943 0.020 1 485 48 48 VAL HB H 1.794 0.020 1 486 48 48 VAL HG1 H 0.710 0.020 2 487 48 48 VAL HG2 H 0.759 0.020 2 488 48 48 VAL C C 174.028 0.3 1 489 48 48 VAL CA C 60.936 0.3 1 490 48 48 VAL CB C 33.838 0.3 1 491 48 48 VAL CG1 C 20.878 0.3 1 492 48 48 VAL CG2 C 21.240 0.3 1 493 48 48 VAL N N 123.340 0.3 1 494 49 49 PHE H H 8.668 0.020 1 495 49 49 PHE HA H 4.921 0.020 1 496 49 49 PHE HB2 H 2.931 0.020 2 497 49 49 PHE HB3 H 3.183 0.020 2 498 49 49 PHE HD1 H 6.960 0.020 1 499 49 49 PHE HE1 H 6.838 0.020 1 500 49 49 PHE HZ H 7.592 0.020 1 501 49 49 PHE C C 176.620 0.3 1 502 49 49 PHE CA C 55.163 0.3 1 503 49 49 PHE CB C 41.394 0.3 1 504 49 49 PHE CD1 C 132.677 0.3 1 505 49 49 PHE CE1 C 130.761 0.3 1 506 49 49 PHE CZ C 129.168 0.3 1 507 49 49 PHE N N 121.675 0.3 1 508 50 50 ARG H H 8.295 0.020 1 509 50 50 ARG HA H 4.319 0.020 1 510 50 50 ARG HB3 H 1.764 0.020 1 511 50 50 ARG HG2 H 1.486 0.020 2 512 50 50 ARG HG3 H 1.500 0.020 2 513 50 50 ARG HD2 H 3.173 0.020 2 514 50 50 ARG HD3 H 3.231 0.020 2 515 50 50 ARG C C 172.636 0.3 1 516 50 50 ARG CA C 57.879 0.3 1 517 50 50 ARG CB C 31.308 0.3 1 518 50 50 ARG CG C 27.603 0.3 1 519 50 50 ARG CD C 42.840 0.3 1 520 50 50 ARG N N 122.254 0.3 1 521 51 51 GLN H H 8.235 0.020 1 522 51 51 GLN HA H 4.478 0.020 1 523 51 51 GLN HB3 H 2.018 0.020 1 524 51 51 GLN HG2 H 2.208 0.020 1 525 51 51 GLN HG3 H 2.208 0.020 1 526 51 51 GLN HE21 H 8.518 0.020 1 527 51 51 GLN HE22 H 7.421 0.020 1 528 51 51 GLN C C 176.773 0.3 1 529 51 51 GLN CA C 55.824 0.3 1 530 51 51 GLN CB C 30.402 0.3 1 531 51 51 GLN CG C 33.302 0.3 1 532 51 51 GLN N N 119.335 0.3 1 533 51 51 GLN NE2 N 113.212 0.3 1 534 52 52 TYR H H 9.007 0.020 1 535 52 52 TYR HA H 4.900 0.020 1 536 52 52 TYR HB2 H 3.269 0.020 2 537 52 52 TYR HB3 H 3.245 0.020 2 538 52 52 TYR HD1 H 7.027 0.020 1 539 52 52 TYR HE1 H 6.769 0.020 1 540 52 52 TYR C C 175.186 0.3 1 541 52 52 TYR CA C 56.884 0.3 1 542 52 52 TYR CB C 39.715 0.3 1 543 52 52 TYR CD1 C 132.924 0.3 1 544 52 52 TYR CE1 C 118.231 0.3 1 545 52 52 TYR N N 126.466 0.3 1 546 53 53 PHE H H 8.813 0.020 1 547 53 53 PHE HA H 5.292 0.020 1 548 53 53 PHE HB2 H 2.920 0.020 2 549 53 53 PHE HB3 H 3.119 0.020 2 550 53 53 PHE HD1 H 7.363 0.020 1 551 53 53 PHE HE1 H 7.117 0.020 1 552 53 53 PHE HZ H 6.944 0.020 1 553 53 53 PHE C C 172.996 0.3 1 554 53 53 PHE CA C 56.627 0.3 1 555 53 53 PHE CB C 40.245 0.3 1 556 53 53 PHE CD1 C 132.953 0.3 1 557 53 53 PHE CE1 C 129.437 0.3 1 558 53 53 PHE CZ C 131.215 0.3 1 559 53 53 PHE N N 116.799 0.3 1 560 54 54 PHE H H 9.060 0.020 1 561 54 54 PHE HA H 4.509 0.020 1 562 54 54 PHE HB2 H 2.719 0.020 2 563 54 54 PHE HB3 H 2.852 0.020 2 564 54 54 PHE HD1 H 6.165 0.020 1 565 54 54 PHE HE1 H 6.890 0.020 1 566 54 54 PHE HZ H 6.260 0.020 1 567 54 54 PHE C C 173.843 0.3 1 568 54 54 PHE CA C 56.733 0.3 1 569 54 54 PHE CB C 38.892 0.3 1 570 54 54 PHE CD1 C 131.552 0.3 1 571 54 54 PHE CE1 C 131.210 0.3 1 572 54 54 PHE CZ C 131.544 0.3 1 573 54 54 PHE N N 127.511 0.3 1 574 55 55 GLU H H 8.497 0.020 1 575 55 55 GLU HA H 4.899 0.020 1 576 55 55 GLU HB2 H 1.962 0.020 2 577 55 55 GLU HB3 H 1.715 0.020 2 578 55 55 GLU HG2 H 2.332 0.020 2 579 55 55 GLU HG3 H 2.157 0.020 2 580 55 55 GLU C C 174.838 0.3 1 581 55 55 GLU CA C 55.278 0.3 1 582 55 55 GLU CB C 33.707 0.3 1 583 55 55 GLU CG C 37.714 0.3 1 584 55 55 GLU N N 127.727 0.3 1 585 56 56 THR H H 7.678 0.020 1 586 56 56 THR HA H 4.928 0.020 1 587 56 56 THR HB H 3.214 0.020 1 588 56 56 THR HG2 H 0.819 0.020 1 589 56 56 THR C C 170.853 0.3 1 590 56 56 THR CA C 61.177 0.3 1 591 56 56 THR CB C 70.925 0.3 1 592 56 56 THR CG2 C 21.970 0.3 1 593 56 56 THR N N 120.838 0.3 1 594 57 57 LYS H H 8.194 0.020 1 595 57 57 LYS HA H 4.617 0.020 1 596 57 57 LYS HB2 H 1.623 0.020 2 597 57 57 LYS HB3 H 1.779 0.020 2 598 57 57 LYS HG2 H 1.168 0.020 2 599 57 57 LYS HG3 H 1.390 0.020 2 600 57 57 LYS HD2 H 1.650 0.020 2 601 57 57 LYS HD3 H 1.602 0.020 2 602 57 57 LYS HE2 H 2.973 0.020 2 603 57 57 LYS HE3 H 2.871 0.020 2 604 57 57 LYS C C 176.399 0.3 1 605 57 57 LYS CA C 52.848 0.3 1 606 57 57 LYS CB C 36.598 0.3 1 607 57 57 LYS CG C 23.652 0.3 1 608 57 57 LYS CD C 29.149 0.3 1 609 57 57 LYS CE C 42.461 0.3 1 610 57 57 LYS N N 118.346 0.3 1 611 58 58 CYS H H 8.050 0.020 1 612 58 58 CYS HA H 4.650 0.020 1 613 58 58 CYS HB2 H 2.691 0.020 2 614 58 58 CYS HB3 H 2.611 0.020 2 615 58 58 CYS C C 175.767 0.3 1 616 58 58 CYS CA C 54.066 0.3 1 617 58 58 CYS CB C 41.368 0.3 1 618 58 58 CYS N N 116.171 0.3 1 619 59 59 ARG H H 8.309 0.020 1 620 59 59 ARG HA H 4.004 0.020 1 621 59 59 ARG HB2 H 1.480 0.020 2 622 59 59 ARG HB3 H 1.773 0.020 2 623 59 59 ARG HG2 H 1.501 0.020 2 624 59 59 ARG HG3 H 1.765 0.020 2 625 59 59 ARG HD2 H 3.151 0.020 2 626 59 59 ARG HD3 H 3.231 0.020 2 627 59 59 ARG C C 173.692 0.3 1 628 59 59 ARG CA C 58.143 0.3 1 629 59 59 ARG CB C 31.037 0.3 1 630 59 59 ARG CG C 27.779 0.3 1 631 59 59 ARG CD C 43.408 0.3 1 632 59 59 ARG N N 122.977 0.3 1 633 60 60 ALA H H 8.409 0.020 1 634 60 60 ALA HA H 4.746 0.020 1 635 60 60 ALA HB H 1.379 0.020 1 636 60 60 ALA C C 175.219 0.3 1 637 60 60 ALA CA C 53.201 0.3 1 638 60 60 ALA CB C 19.548 0.3 1 639 60 60 ALA N N 122.100 0.3 1 640 61 61 SER HA H 3.905 0.020 1 641 61 61 SER HB3 H 3.947 0.020 1 642 61 61 SER CA C 57.981 0.3 1 643 61 61 SER CB C 63.619 0.3 1 644 62 62 ASN H H 7.876 0.020 1 645 62 62 ASN HA H 5.128 0.020 1 646 62 62 ASN HB2 H 2.754 0.020 2 647 62 62 ASN HB3 H 2.886 0.020 2 648 62 62 ASN HD21 H 6.852 0.020 1 649 62 62 ASN HD22 H 7.215 0.020 1 650 62 62 ASN CA C 50.676 0.3 1 651 62 62 ASN CB C 38.069 0.3 1 652 62 62 ASN N N 112.295 0.3 1 653 62 62 ASN ND2 N 112.064 0.3 1 654 63 63 PRO HA H 4.236 0.020 1 655 63 63 PRO HB2 H 1.850 0.020 2 656 63 63 PRO HB3 H 2.386 0.020 2 657 63 63 PRO HG2 H 2.380 0.020 2 658 63 63 PRO HG3 H 2.301 0.020 2 659 63 63 PRO HD2 H 3.352 0.020 2 660 63 63 PRO HD3 H 3.909 0.020 2 661 63 63 PRO C C 177.648 0.3 1 662 63 63 PRO CA C 64.759 0.3 1 663 63 63 PRO CB C 31.936 0.3 1 664 63 63 PRO CG C 27.930 0.3 1 665 63 63 PRO CD C 51.608 0.3 1 666 64 64 VAL H H 7.661 0.020 1 667 64 64 VAL HA H 4.424 0.020 1 668 64 64 VAL HB H 2.296 0.020 1 669 64 64 VAL HG1 H 0.907 0.020 2 670 64 64 VAL HG2 H 0.656 0.020 2 671 64 64 VAL C C 176.767 0.3 1 672 64 64 VAL CA C 60.249 0.3 1 673 64 64 VAL CB C 34.042 0.3 1 674 64 64 VAL CG1 C 22.219 0.3 1 675 64 64 VAL CG2 C 19.708 0.3 1 676 64 64 VAL N N 110.228 0.3 1 677 65 65 GLU H H 8.546 0.020 1 678 65 65 GLU HA H 4.068 0.020 1 679 65 65 GLU HB3 H 2.057 0.020 1 680 65 65 GLU HG3 H 2.307 0.020 1 681 65 65 GLU C C 177.695 0.3 1 682 65 65 GLU CA C 59.371 0.3 1 683 65 65 GLU CB C 29.605 0.3 1 684 65 65 GLU CG C 36.378 0.3 1 685 65 65 GLU N N 120.861 0.3 1 686 66 66 SER H H 7.722 0.020 1 687 66 66 SER HA H 4.437 0.020 1 688 66 66 SER HB2 H 4.161 0.020 2 689 66 66 SER HB3 H 3.857 0.020 2 690 66 66 SER C C 173.993 0.3 1 691 66 66 SER CA C 58.699 0.3 1 692 66 66 SER CB C 63.888 0.3 1 693 66 66 SER N N 109.598 0.3 1 694 67 67 GLY H H 7.860 0.020 1 695 67 67 GLY HA2 H 3.921 0.020 2 696 67 67 GLY HA3 H 3.743 0.020 2 697 67 67 GLY C C 172.348 0.3 1 698 67 67 GLY CA C 45.579 0.3 1 699 67 67 GLY N N 112.408 0.3 1 700 68 68 CYS H H 8.490 0.020 1 701 68 68 CYS HA H 4.175 0.020 1 702 68 68 CYS HB2 H 2.672 0.020 2 703 68 68 CYS HB3 H 3.292 0.020 2 704 68 68 CYS C C 174.131 0.3 1 705 68 68 CYS CA C 54.436 0.3 1 706 68 68 CYS CB C 42.458 0.3 1 707 68 68 CYS N N 119.417 0.3 1 708 69 69 ARG H H 8.883 0.020 1 709 69 69 ARG HA H 3.827 0.020 1 710 69 69 ARG HB2 H 1.818 0.020 2 711 69 69 ARG HB3 H 1.450 0.020 2 712 69 69 ARG HG2 H 1.562 0.020 2 713 69 69 ARG HG3 H 1.400 0.020 2 714 69 69 ARG HD2 H 3.168 0.020 2 715 69 69 ARG HD3 H 2.902 0.020 2 716 69 69 ARG C C 174.885 0.3 1 717 69 69 ARG CA C 57.413 0.3 1 718 69 69 ARG CB C 31.844 0.3 1 719 69 69 ARG CG C 27.085 0.3 1 720 69 69 ARG CD C 43.386 0.3 1 721 69 69 ARG N N 124.603 0.3 1 722 70 70 GLY H H 8.195 0.020 1 723 70 70 GLY HA2 H 2.829 0.020 2 724 70 70 GLY HA3 H 3.168 0.020 2 725 70 70 GLY C C 172.954 0.3 1 726 70 70 GLY CA C 44.738 0.3 1 727 70 70 GLY N N 106.794 0.3 1 728 71 71 ILE H H 6.417 0.020 1 729 71 71 ILE HA H 4.040 0.020 1 730 71 71 ILE HB H 1.775 0.020 1 731 71 71 ILE HG12 H 1.078 0.020 2 732 71 71 ILE HG13 H 1.415 0.020 2 733 71 71 ILE HG2 H 0.700 0.020 1 734 71 71 ILE HD1 H 0.353 0.020 1 735 71 71 ILE C C 177.286 0.3 1 736 71 71 ILE CA C 57.744 0.3 1 737 71 71 ILE CB C 36.863 0.3 1 738 71 71 ILE CG1 C 28.455 0.3 1 739 71 71 ILE CG2 C 18.590 0.3 1 740 71 71 ILE CD1 C 9.811 0.3 1 741 71 71 ILE N N 118.183 0.3 1 742 72 72 ASP H H 8.955 0.020 1 743 72 72 ASP HA H 4.927 0.020 1 744 72 72 ASP HB3 H 2.473 0.020 1 745 72 72 ASP C C 175.838 0.3 1 746 72 72 ASP CA C 53.182 0.3 1 747 72 72 ASP CB C 39.713 0.3 1 748 72 72 ASP N N 123.964 0.3 1 749 73 73 SER H H 8.317 0.020 1 750 73 73 SER HA H 4.852 0.020 1 751 73 73 SER HB2 H 3.929 0.020 2 752 73 73 SER HB3 H 4.227 0.020 2 753 73 73 SER C C 174.862 0.3 1 754 73 73 SER CA C 59.641 0.3 1 755 73 73 SER CB C 63.625 0.3 1 756 73 73 SER N N 124.899 0.3 1 757 74 74 LYS H H 7.999 0.020 1 758 74 74 LYS HA H 4.014 0.020 1 759 74 74 LYS HB2 H 1.448 0.020 2 760 74 74 LYS HB3 H 1.718 0.020 2 761 74 74 LYS HG2 H 0.985 0.020 2 762 74 74 LYS HG3 H 1.221 0.020 2 763 74 74 LYS HD2 H 1.594 0.020 2 764 74 74 LYS HD3 H 1.448 0.020 2 765 74 74 LYS HE2 H 2.937 0.020 2 766 74 74 LYS HE3 H 2.861 0.020 2 767 74 74 LYS C C 177.471 0.3 1 768 74 74 LYS CA C 58.456 0.3 1 769 74 74 LYS CB C 31.936 0.3 1 770 74 74 LYS CG C 24.797 0.3 1 771 74 74 LYS CD C 29.131 0.3 1 772 74 74 LYS CE C 42.210 0.3 1 773 74 74 LYS N N 120.846 0.3 1 774 75 75 HIS H H 6.947 0.020 1 775 75 75 HIS HA H 4.523 0.020 1 776 75 75 HIS HB2 H 2.399 0.020 2 777 75 75 HIS HB3 H 2.489 0.020 2 778 75 75 HIS HD2 H 6.994 0.020 1 779 75 75 HIS HE1 H 7.822 0.020 1 780 75 75 HIS C C 174.601 0.3 1 781 75 75 HIS CA C 56.890 0.3 1 782 75 75 HIS CB C 32.627 0.3 1 783 75 75 HIS CD2 C 121.697 0.3 1 784 75 75 HIS CE1 C 138.207 0.3 1 785 75 75 HIS N N 111.803 0.3 1 786 76 76 TRP H H 7.800 0.020 1 787 76 76 TRP HA H 5.298 0.020 1 788 76 76 TRP HB2 H 3.285 0.020 2 789 76 76 TRP HB3 H 2.707 0.020 2 790 76 76 TRP HD1 H 6.798 0.020 1 791 76 76 TRP HE1 H 10.432 0.020 1 792 76 76 TRP HE3 H 5.750 0.020 1 793 76 76 TRP HZ2 H 7.313 0.020 1 794 76 76 TRP HZ3 H 5.898 0.020 1 795 76 76 TRP HH2 H 7.591 0.020 1 796 76 76 TRP C C 177.100 0.3 1 797 76 76 TRP CA C 56.121 0.3 1 798 76 76 TRP CB C 32.664 0.3 1 799 76 76 TRP CD1 C 123.828 0.3 1 800 76 76 TRP CE3 C 118.420 0.3 1 801 76 76 TRP CZ2 C 114.134 0.3 1 802 76 76 TRP CZ3 C 116.299 0.3 1 803 76 76 TRP CH2 C 120.975 0.3 1 804 76 76 TRP N N 118.977 0.3 1 805 76 76 TRP NE1 N 128.324 0.3 1 806 77 77 ASN H H 9.290 0.020 1 807 77 77 ASN HA H 5.154 0.020 1 808 77 77 ASN HB2 H 2.904 0.020 2 809 77 77 ASN HB3 H 2.808 0.020 2 810 77 77 ASN HD21 H 7.516 0.020 1 811 77 77 ASN HD22 H 7.093 0.020 1 812 77 77 ASN C C 174.552 0.3 1 813 77 77 ASN CA C 52.703 0.3 1 814 77 77 ASN CB C 40.262 0.3 1 815 77 77 ASN N N 121.796 0.3 1 816 77 77 ASN ND2 N 114.357 0.3 1 817 78 78 SER H H 8.771 0.020 1 818 78 78 SER HA H 5.763 0.020 1 819 78 78 SER HB2 H 4.007 0.020 2 820 78 78 SER HB3 H 3.845 0.020 2 821 78 78 SER C C 172.033 0.3 1 822 78 78 SER CA C 58.320 0.3 1 823 78 78 SER CB C 67.571 0.3 1 824 78 78 SER N N 113.973 0.3 1 825 79 79 TYR H H 8.319 0.020 1 826 79 79 TYR HA H 4.712 0.020 1 827 79 79 TYR HB2 H 2.875 0.020 2 828 79 79 TYR HB3 H 3.341 0.020 2 829 79 79 TYR HD1 H 6.834 0.020 1 830 79 79 TYR HE1 H 6.610 0.020 1 831 79 79 TYR C C 172.493 0.3 1 832 79 79 TYR CA C 57.222 0.3 1 833 79 79 TYR CB C 40.011 0.3 1 834 79 79 TYR CD1 C 133.896 0.3 1 835 79 79 TYR CE1 C 117.498 0.3 1 836 79 79 TYR N N 114.283 0.3 1 837 80 80 CYS H H 9.159 0.020 1 838 80 80 CYS HA H 5.365 0.020 1 839 80 80 CYS HB2 H 3.303 0.020 2 840 80 80 CYS HB3 H 3.070 0.020 2 841 80 80 CYS C C 174.468 0.3 1 842 80 80 CYS CA C 54.749 0.3 1 843 80 80 CYS CB C 43.524 0.3 1 844 80 80 CYS N N 119.506 0.3 1 845 81 81 THR H H 9.525 0.020 1 846 81 81 THR HA H 4.773 0.020 1 847 81 81 THR HB H 4.009 0.020 1 848 81 81 THR HG2 H 0.997 0.020 1 849 81 81 THR C C 171.902 0.3 1 850 81 81 THR CA C 60.503 0.3 1 851 81 81 THR CB C 71.318 0.3 1 852 81 81 THR CG2 C 21.373 0.3 1 853 81 81 THR N N 119.907 0.3 1 854 82 82 THR H H 7.918 0.020 1 855 82 82 THR HA H 5.389 0.020 1 856 82 82 THR HB H 4.153 0.020 1 857 82 82 THR HG2 H 1.396 0.020 1 858 82 82 THR C C 175.896 0.3 1 859 82 82 THR CA C 61.816 0.3 1 860 82 82 THR CB C 70.602 0.3 1 861 82 82 THR CG2 C 23.479 0.3 1 862 82 82 THR N N 120.867 0.3 1 863 83 83 THR H H 8.395 0.020 1 864 83 83 THR HA H 4.642 0.020 1 865 83 83 THR HB H 4.087 0.020 1 866 83 83 THR HG2 H 0.982 0.020 1 867 83 83 THR C C 173.633 0.3 1 868 83 83 THR CA C 60.166 0.3 1 869 83 83 THR CB C 70.159 0.3 1 870 83 83 THR CG2 C 22.176 0.3 1 871 83 83 THR N N 117.194 0.3 1 872 84 84 HIS H H 7.616 0.020 1 873 84 84 HIS HA H 5.669 0.020 1 874 84 84 HIS HB2 H 2.792 0.020 2 875 84 84 HIS HB3 H 2.977 0.020 2 876 84 84 HIS HD2 H 5.961 0.020 1 877 84 84 HIS HE1 H 7.900 0.020 1 878 84 84 HIS C C 175.069 0.3 1 879 84 84 HIS CA C 55.826 0.3 1 880 84 84 HIS CB C 34.658 0.3 1 881 84 84 HIS CD2 C 120.327 0.3 1 882 84 84 HIS CE1 C 138.044 0.3 1 883 84 84 HIS N N 116.791 0.3 1 884 85 85 THR H H 8.777 0.020 1 885 85 85 THR HA H 4.487 0.020 1 886 85 85 THR HB H 4.063 0.020 1 887 85 85 THR HG1 H 6.542 0.020 1 888 85 85 THR HG2 H 1.233 0.020 1 889 85 85 THR C C 171.936 0.3 1 890 85 85 THR CA C 58.773 0.3 1 891 85 85 THR CB C 70.342 0.3 1 892 85 85 THR CG2 C 19.760 0.3 1 893 85 85 THR N N 114.317 0.3 1 894 86 86 PHE H H 7.669 0.020 1 895 86 86 PHE HA H 5.912 0.020 1 896 86 86 PHE HB2 H 2.909 0.020 2 897 86 86 PHE HB3 H 2.440 0.020 2 898 86 86 PHE HD1 H 6.012 0.020 1 899 86 86 PHE HE1 H 6.880 0.020 1 900 86 86 PHE HZ H 7.310 0.020 1 901 86 86 PHE C C 175.201 0.3 1 902 86 86 PHE CA C 56.300 0.3 1 903 86 86 PHE CB C 43.384 0.3 1 904 86 86 PHE CD1 C 131.546 0.3 1 905 86 86 PHE CE1 C 130.014 0.3 1 906 86 86 PHE CZ C 131.074 0.3 1 907 86 86 PHE N N 118.129 0.3 1 908 87 87 VAL H H 9.317 0.020 1 909 87 87 VAL HA H 5.131 0.020 1 910 87 87 VAL HB H 2.515 0.020 1 911 87 87 VAL HG1 H 1.464 0.020 2 912 87 87 VAL HG2 H 1.274 0.020 2 913 87 87 VAL C C 174.504 0.3 1 914 87 87 VAL CA C 59.853 0.3 1 915 87 87 VAL CB C 36.047 0.3 1 916 87 87 VAL CG1 C 22.593 0.3 1 917 87 87 VAL CG2 C 21.132 0.3 1 918 87 87 VAL N N 117.623 0.3 1 919 88 88 LYS H H 9.110 0.020 1 920 88 88 LYS HA H 4.280 0.020 1 921 88 88 LYS HB3 H 1.425 0.020 1 922 88 88 LYS HG3 H 1.395 0.020 1 923 88 88 LYS HD3 H 1.660 0.020 1 924 88 88 LYS HE3 H 2.938 0.020 1 925 88 88 LYS C C 174.170 0.3 1 926 88 88 LYS CA C 56.900 0.3 1 927 88 88 LYS CB C 32.919 0.3 1 928 88 88 LYS CG C 23.632 0.3 1 929 88 88 LYS CD C 28.979 0.3 1 930 88 88 LYS CE C 41.905 0.3 1 931 88 88 LYS N N 127.686 0.3 1 932 89 89 ALA H H 8.310 0.020 1 933 89 89 ALA HA H 4.288 0.020 1 934 89 89 ALA HB H 1.257 0.020 1 935 89 89 ALA C C 177.281 0.3 1 936 89 89 ALA CA C 52.372 0.3 1 937 89 89 ALA CB C 19.236 0.3 1 938 89 89 ALA N N 126.160 0.3 1 939 90 90 LEU H H 8.211 0.020 1 940 90 90 LEU HA H 4.792 0.020 1 941 90 90 LEU HB2 H 1.683 0.020 2 942 90 90 LEU HB3 H 1.918 0.020 2 943 90 90 LEU HG H 1.075 0.020 1 944 90 90 LEU HD1 H 0.651 0.020 2 945 90 90 LEU HD2 H 0.066 0.020 2 946 90 90 LEU C C 177.111 0.3 1 947 90 90 LEU CA C 54.354 0.3 1 948 90 90 LEU CB C 41.495 0.3 1 949 90 90 LEU CG C 27.341 0.3 1 950 90 90 LEU CD1 C 26.736 0.3 1 951 90 90 LEU CD2 C 21.123 0.3 1 952 90 90 LEU N N 123.079 0.3 1 953 91 91 THR H H 8.459 0.020 1 954 91 91 THR HA H 5.403 0.020 1 955 91 91 THR HB H 4.114 0.020 1 956 91 91 THR HG2 H 1.013 0.020 1 957 91 91 THR CA C 59.399 0.3 1 958 91 91 THR CB C 75.396 0.3 1 959 91 91 THR CG2 C 21.754 0.3 1 960 92 92 THR H H 9.071 0.020 1 961 92 92 THR HA H 4.938 0.020 1 962 92 92 THR HB H 3.901 0.020 1 963 92 92 THR HG2 H 1.049 0.020 1 964 92 92 THR C C 172.258 0.3 1 965 92 92 THR CA C 60.987 0.3 1 966 92 92 THR CB C 70.643 0.3 1 967 92 92 THR CG2 C 21.321 0.3 1 968 92 92 THR N N 111.790 0.3 1 969 93 93 ASP H H 7.658 0.020 1 970 93 93 ASP HA H 5.017 0.020 1 971 93 93 ASP HB3 H 2.510 0.020 1 972 93 93 ASP C C 176.260 0.3 1 973 93 93 ASP CA C 53.069 0.3 1 974 93 93 ASP CB C 41.716 0.3 1 975 93 93 ASP N N 125.210 0.3 1 976 94 94 GLU H H 8.997 0.020 1 977 94 94 GLU HA H 3.986 0.020 1 978 94 94 GLU HB3 H 2.154 0.020 1 979 94 94 GLU HG2 H 2.222 0.020 2 980 94 94 GLU HG3 H 2.323 0.020 2 981 94 94 GLU C C 175.926 0.3 1 982 94 94 GLU CA C 58.721 0.3 1 983 94 94 GLU CB C 28.221 0.3 1 984 94 94 GLU CG C 36.347 0.3 1 985 94 94 GLU N N 119.292 0.3 1 986 95 95 LYS H H 8.468 0.020 1 987 95 95 LYS HA H 4.268 0.020 1 988 95 95 LYS HB2 H 1.718 0.020 2 989 95 95 LYS HB3 H 1.911 0.020 2 990 95 95 LYS HG3 H 1.356 0.020 1 991 95 95 LYS HD3 H 1.667 0.020 1 992 95 95 LYS HE2 H 2.940 0.020 2 993 95 95 LYS HE3 H 2.864 0.020 2 994 95 95 LYS C C 176.814 0.3 1 995 95 95 LYS CA C 57.578 0.3 1 996 95 95 LYS CB C 33.468 0.3 1 997 95 95 LYS CG C 24.783 0.3 1 998 95 95 LYS CD C 28.991 0.3 1 999 95 95 LYS CE C 42.035 0.3 1 1000 95 95 LYS N N 117.081 0.3 1 1001 96 96 GLN H H 8.633 0.020 1 1002 96 96 GLN HA H 4.609 0.020 1 1003 96 96 GLN HB2 H 2.064 0.020 2 1004 96 96 GLN HB3 H 2.014 0.020 2 1005 96 96 GLN HG3 H 2.268 0.020 1 1006 96 96 GLN HE21 H 7.558 0.020 1 1007 96 96 GLN HE22 H 6.850 0.020 1 1008 96 96 GLN C C 175.045 0.3 1 1009 96 96 GLN CA C 55.211 0.3 1 1010 96 96 GLN CB C 31.005 0.3 1 1011 96 96 GLN CG C 33.315 0.3 1 1012 96 96 GLN N N 118.660 0.3 1 1013 96 96 GLN NE2 N 112.169 0.3 1 1014 97 97 ALA H H 8.751 0.020 1 1015 97 97 ALA HA H 4.574 0.020 1 1016 97 97 ALA HB H 1.259 0.020 1 1017 97 97 ALA C C 177.134 0.3 1 1018 97 97 ALA CA C 51.268 0.3 1 1019 97 97 ALA CB C 18.723 0.3 1 1020 97 97 ALA N N 130.225 0.3 1 1021 98 98 ALA H H 9.053 0.020 1 1022 98 98 ALA HA H 5.199 0.020 1 1023 98 98 ALA HB H 1.269 0.020 1 1024 98 98 ALA C C 177.198 0.3 1 1025 98 98 ALA CA C 51.548 0.3 1 1026 98 98 ALA CB C 22.091 0.3 1 1027 98 98 ALA N N 123.339 0.3 1 1028 99 99 TRP H H 8.301 0.020 1 1029 99 99 TRP HA H 4.673 0.020 1 1030 99 99 TRP HB2 H 3.054 0.020 2 1031 99 99 TRP HB3 H 2.965 0.020 2 1032 99 99 TRP HD1 H 7.109 0.020 1 1033 99 99 TRP HE1 H 10.140 0.020 1 1034 99 99 TRP HE3 H 7.200 0.020 1 1035 99 99 TRP HZ2 H 7.144 0.020 1 1036 99 99 TRP HZ3 H 6.794 0.020 1 1037 99 99 TRP HH2 H 7.564 0.020 1 1038 99 99 TRP C C 176.862 0.3 1 1039 99 99 TRP CA C 57.729 0.3 1 1040 99 99 TRP CB C 30.654 0.3 1 1041 99 99 TRP CD1 C 127.555 0.3 1 1042 99 99 TRP CE3 C 124.700 0.3 1 1043 99 99 TRP CZ2 C 113.945 0.3 1 1044 99 99 TRP CZ3 C 124.721 0.3 1 1045 99 99 TRP CH2 C 120.950 0.3 1 1046 99 99 TRP N N 117.414 0.3 1 1047 99 99 TRP NE1 N 129.602 0.3 1 1048 100 100 ARG H H 7.806 0.020 1 1049 100 100 ARG HA H 4.090 0.020 1 1050 100 100 ARG HB2 H 1.743 0.020 2 1051 100 100 ARG HB3 H 1.556 0.020 2 1052 100 100 ARG HG2 H 1.498 0.020 2 1053 100 100 ARG HG3 H 1.410 0.020 2 1054 100 100 ARG HD2 H 2.880 0.020 2 1055 100 100 ARG HD3 H 2.748 0.020 2 1056 100 100 ARG C C 175.528 0.3 1 1057 100 100 ARG CA C 56.884 0.3 1 1058 100 100 ARG CB C 30.726 0.3 1 1059 100 100 ARG CG C 27.090 0.3 1 1060 100 100 ARG CD C 42.828 0.3 1 1061 100 100 ARG N N 124.895 0.3 1 1062 101 101 PHE H H 9.245 0.020 1 1063 101 101 PHE HA H 4.919 0.020 1 1064 101 101 PHE HB2 H 2.815 0.020 2 1065 101 101 PHE HB3 H 2.886 0.020 2 1066 101 101 PHE HD1 H 7.214 0.020 1 1067 101 101 PHE HE1 H 7.308 0.020 1 1068 101 101 PHE HZ H 7.163 0.020 1 1069 101 101 PHE C C 175.719 0.3 1 1070 101 101 PHE CA C 59.780 0.3 1 1071 101 101 PHE CB C 40.527 0.3 1 1072 101 101 PHE CD1 C 131.732 0.3 1 1073 101 101 PHE CE1 C 131.445 0.3 1 1074 101 101 PHE CZ C 130.117 0.3 1 1075 101 101 PHE N N 120.553 0.3 1 1076 102 102 ILE H H 9.416 0.020 1 1077 102 102 ILE HA H 5.167 0.020 1 1078 102 102 ILE HB H 1.597 0.020 1 1079 102 102 ILE HG12 H 1.169 0.020 2 1080 102 102 ILE HG13 H 1.374 0.020 2 1081 102 102 ILE HG2 H 0.586 0.020 1 1082 102 102 ILE HD1 H 0.094 0.020 1 1083 102 102 ILE C C 174.660 0.3 1 1084 102 102 ILE CA C 59.058 0.3 1 1085 102 102 ILE CB C 41.631 0.3 1 1086 102 102 ILE CG1 C 24.758 0.3 1 1087 102 102 ILE CG2 C 17.832 0.3 1 1088 102 102 ILE CD1 C 14.123 0.3 1 1089 102 102 ILE N N 116.472 0.3 1 1090 103 103 ARG H H 8.474 0.020 1 1091 103 103 ARG HA H 4.554 0.020 1 1092 103 103 ARG HB2 H 1.456 0.020 2 1093 103 103 ARG HB3 H 1.744 0.020 2 1094 103 103 ARG HG2 H 1.370 0.020 2 1095 103 103 ARG HG3 H 1.566 0.020 2 1096 103 103 ARG HD2 H 2.701 0.020 2 1097 103 103 ARG HD3 H 2.753 0.020 2 1098 103 103 ARG C C 174.341 0.3 1 1099 103 103 ARG CA C 55.736 0.3 1 1100 103 103 ARG CB C 31.681 0.3 1 1101 103 103 ARG CG C 27.286 0.3 1 1102 103 103 ARG CD C 42.800 0.3 1 1103 103 103 ARG N N 122.176 0.3 1 1104 104 104 ILE H H 8.298 0.020 1 1105 104 104 ILE HA H 4.546 0.020 1 1106 104 104 ILE HB H 1.842 0.020 1 1107 104 104 ILE HG12 H 1.333 0.020 2 1108 104 104 ILE HG13 H 1.226 0.020 2 1109 104 104 ILE HG2 H 0.859 0.020 1 1110 104 104 ILE HD1 H 0.653 0.020 1 1111 104 104 ILE C C 175.044 0.3 1 1112 104 104 ILE CA C 58.071 0.3 1 1113 104 104 ILE CB C 41.122 0.3 1 1114 104 104 ILE CG1 C 26.763 0.3 1 1115 104 104 ILE CG2 C 17.703 0.3 1 1116 104 104 ILE CD1 C 11.887 0.3 1 1117 104 104 ILE N N 122.791 0.3 1 1118 105 105 ASP H H 8.886 0.020 1 1119 105 105 ASP HA H 4.767 0.020 1 1120 105 105 ASP HB2 H 2.435 0.020 2 1121 105 105 ASP HB3 H 2.878 0.020 2 1122 105 105 ASP C C 176.957 0.3 1 1123 105 105 ASP CA C 56.129 0.3 1 1124 105 105 ASP CB C 41.293 0.3 1 1125 105 105 ASP N N 128.660 0.3 1 1126 106 106 THR H H 9.214 0.020 1 1127 106 106 THR HA H 5.109 0.020 1 1128 106 106 THR HB H 3.959 0.020 1 1129 106 106 THR HG2 H 0.978 0.020 1 1130 106 106 THR C C 173.147 0.3 1 1131 106 106 THR CA C 60.768 0.3 1 1132 106 106 THR CB C 73.953 0.3 1 1133 106 106 THR CG2 C 21.421 0.3 1 1134 106 106 THR N N 115.844 0.3 1 1135 107 107 ALA H H 7.486 0.020 1 1136 107 107 ALA HA H 4.007 0.020 1 1137 107 107 ALA HB H 0.971 0.020 1 1138 107 107 ALA C C 173.476 0.3 1 1139 107 107 ALA CA C 51.909 0.3 1 1140 107 107 ALA CB C 22.056 0.3 1 1141 107 107 ALA N N 121.885 0.3 1 1142 108 108 CYS H H 8.448 0.020 1 1143 108 108 CYS HA H 5.110 0.020 1 1144 108 108 CYS HB2 H 2.870 0.020 2 1145 108 108 CYS HB3 H 3.180 0.020 2 1146 108 108 CYS C C 173.463 0.3 1 1147 108 108 CYS CA C 55.019 0.3 1 1148 108 108 CYS CB C 41.084 0.3 1 1149 108 108 CYS N N 119.610 0.3 1 1150 109 109 VAL H H 9.358 0.020 1 1151 109 109 VAL HA H 4.496 0.020 1 1152 109 109 VAL HB H 2.242 0.020 1 1153 109 109 VAL HG1 H 0.717 0.020 2 1154 109 109 VAL HG2 H 1.020 0.020 2 1155 109 109 VAL C C 172.894 0.3 1 1156 109 109 VAL CA C 59.236 0.3 1 1157 109 109 VAL CB C 35.228 0.3 1 1158 109 109 VAL CG1 C 21.476 0.3 1 1159 109 109 VAL CG2 C 19.515 0.3 1 1160 109 109 VAL N N 120.845 0.3 1 1161 110 110 CYS H H 7.536 0.020 1 1162 110 110 CYS HA H 4.930 0.020 1 1163 110 110 CYS HB2 H 2.883 0.020 2 1164 110 110 CYS HB3 H 2.973 0.020 2 1165 110 110 CYS C C 173.791 0.3 1 1166 110 110 CYS CA C 56.258 0.3 1 1167 110 110 CYS CB C 42.223 0.3 1 1168 110 110 CYS N N 119.289 0.3 1 1169 111 111 VAL H H 8.994 0.020 1 1170 111 111 VAL HA H 4.209 0.020 1 1171 111 111 VAL HB H 1.116 0.020 1 1172 111 111 VAL HG1 H 0.440 0.020 2 1173 111 111 VAL HG2 H 0.713 0.020 2 1174 111 111 VAL C C 175.899 0.3 1 1175 111 111 VAL CA C 61.467 0.3 1 1176 111 111 VAL CB C 33.550 0.3 1 1177 111 111 VAL CG1 C 20.871 0.3 1 1178 111 111 VAL CG2 C 21.764 0.3 1 1179 111 111 VAL N N 131.783 0.3 1 1180 112 112 LEU H H 8.411 0.020 1 1181 112 112 LEU HA H 5.191 0.020 1 1182 112 112 LEU HB2 H 1.220 0.020 2 1183 112 112 LEU HB3 H 1.343 0.020 2 1184 112 112 LEU HG H 1.050 0.020 1 1185 112 112 LEU HD1 H -0.409 0.020 2 1186 112 112 LEU HD2 H 0.320 0.020 2 1187 112 112 LEU C C 177.433 0.3 1 1188 112 112 LEU CA C 53.353 0.3 1 1189 112 112 LEU CB C 46.753 0.3 1 1190 112 112 LEU CG C 26.469 0.3 1 1191 112 112 LEU CD1 C 24.422 0.3 1 1192 112 112 LEU CD2 C 23.393 0.3 1 1193 112 112 LEU N N 121.655 0.3 1 1194 113 113 SER H H 8.607 0.020 1 1195 113 113 SER HA H 4.990 0.020 1 1196 113 113 SER HB3 H 3.921 0.020 1 1197 113 113 SER C C 175.695 0.3 1 1198 113 113 SER CA C 57.776 0.3 1 1199 113 113 SER CB C 65.801 0.3 1 1200 113 113 SER N N 111.489 0.3 1 1201 114 114 ARG H H 9.306 0.020 1 1202 114 114 ARG HA H 4.118 0.020 1 1203 114 114 ARG HB3 H 1.456 0.020 1 1204 114 114 ARG HG3 H 1.087 0.020 1 1205 114 114 ARG HD2 H 2.499 0.020 2 1206 114 114 ARG HD3 H 2.450 0.020 2 1207 114 114 ARG CA C 57.824 0.3 1 1208 114 114 ARG CB C 31.569 0.3 1 1209 114 114 ARG CG C 27.326 0.3 1 1210 114 114 ARG CD C 43.600 0.3 1 1211 114 114 ARG N N 126.216 0.3 1 1212 115 115 LYS H H 7.680 0.020 1 1213 115 115 LYS HA H 4.290 0.020 1 1214 115 115 LYS HB2 H 1.330 0.020 2 1215 115 115 LYS HB3 H 1.603 0.020 2 1216 115 115 LYS HG3 H 1.231 0.020 1 1217 115 115 LYS HD2 H 1.451 0.020 2 1218 115 115 LYS HD3 H 1.590 0.020 2 1219 115 115 LYS HE3 H 2.869 0.020 1 1220 115 115 LYS C C 176.029 0.3 1 1221 115 115 LYS CA C 56.844 0.3 1 1222 115 115 LYS CB C 33.530 0.3 1 1223 115 115 LYS CG C 25.870 0.3 1 1224 115 115 LYS CD C 29.296 0.3 1 1225 115 115 LYS CE C 42.200 0.3 1 1226 115 115 LYS N N 122.407 0.3 1 1227 116 116 ALA H H 8.391 0.020 1 1228 116 116 ALA HA H 4.385 0.020 1 1229 116 116 ALA HB H 1.378 0.020 1 1230 116 116 ALA C C 177.581 0.3 1 1231 116 116 ALA CA C 52.238 0.3 1 1232 116 116 ALA CB C 19.434 0.3 1 1233 116 116 ALA N N 126.173 0.3 1 1234 117 117 THR H H 8.117 0.020 1 1235 117 117 THR HA H 4.295 0.020 1 1236 117 117 THR HB H 4.232 0.020 1 1237 117 117 THR HG2 H 1.171 0.020 1 1238 117 117 THR C C 173.656 0.3 1 1239 117 117 THR CA C 61.762 0.3 1 1240 117 117 THR CB C 70.056 0.3 1 1241 117 117 THR CG2 C 21.700 0.3 1 1242 117 117 THR N N 114.276 0.3 1 1243 118 118 ARG H H 7.906 0.020 1 1244 118 118 ARG HA H 4.175 0.020 1 1245 118 118 ARG HB2 H 1.821 0.020 2 1246 118 118 ARG HB3 H 1.715 0.020 2 1247 118 118 ARG HG3 H 1.571 0.020 1 1248 118 118 ARG HD3 H 3.175 0.020 1 1249 118 118 ARG C C 180.755 0.3 1 1250 118 118 ARG CA C 57.526 0.3 1 1251 118 118 ARG CB C 31.582 0.3 1 1252 118 118 ARG CG C 27.055 0.3 1 1253 118 118 ARG CD C 43.537 0.3 1 1254 118 118 ARG N N 127.726 0.3 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCO' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aromatic' 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, 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER H H 8.379 0.020 1 2 2 2 SER HA H 4.630 0.020 1 3 2 2 SER HB3 H 3.885 0.020 1 4 2 2 SER CA C 58.544 0.3 1 5 2 2 SER CB C 63.908 0.3 1 6 2 2 SER N N 110.528 0.3 1 7 3 3 THR H H 7.856 0.020 1 8 3 3 THR HA H 4.750 0.020 1 9 3 3 THR HB H 4.395 0.020 1 10 3 3 THR HG2 H 1.243 0.020 1 11 3 3 THR C C 175.885 0.3 1 12 3 3 THR CA C 62.323 0.3 1 13 3 3 THR CB C 70.082 0.3 1 14 3 3 THR CG2 C 21.992 0.3 1 15 3 3 THR N N 120.854 0.3 1 16 4 4 HIS H H 9.042 0.020 1 17 4 4 HIS HA H 4.846 0.020 1 18 4 4 HIS HB2 H 3.040 0.020 2 19 4 4 HIS HB3 H 2.932 0.020 2 20 4 4 HIS HD2 H 6.987 0.020 1 21 4 4 HIS HE1 H 7.625 0.020 1 22 4 4 HIS CA C 54.565 0.3 1 23 4 4 HIS CB C 30.418 0.3 1 24 4 4 HIS CD2 C 120.289 0.3 1 25 4 4 HIS CE1 C 138.559 0.3 1 26 4 4 HIS N N 124.906 0.3 1 27 5 5 PRO HA H 4.389 0.020 1 28 5 5 PRO HB2 H 2.155 0.020 2 29 5 5 PRO HB3 H 1.685 0.020 2 30 5 5 PRO HG2 H 2.011 0.020 2 31 5 5 PRO HG3 H 1.925 0.020 2 32 5 5 PRO HD2 H 3.417 0.020 2 33 5 5 PRO HD3 H 3.701 0.020 2 34 5 5 PRO C C 176.412 0.3 1 35 5 5 PRO CA C 63.266 0.3 1 36 5 5 PRO CB C 32.129 0.3 1 37 5 5 PRO CG C 27.391 0.3 1 38 5 5 PRO CD C 50.679 0.3 1 39 6 6 VAL H H 8.196 0.020 1 40 6 6 VAL HA H 4.035 0.020 1 41 6 6 VAL HB H 1.908 0.020 1 42 6 6 VAL HG1 H 0.763 0.020 2 43 6 6 VAL HG2 H 0.853 0.020 2 44 6 6 VAL C C 175.657 0.3 1 45 6 6 VAL CA C 62.313 0.3 1 46 6 6 VAL CB C 33.074 0.3 1 47 6 6 VAL CG1 C 21.130 0.3 1 48 6 6 VAL CG2 C 20.710 0.3 1 49 6 6 VAL N N 119.912 0.3 1 50 7 7 PHE H H 8.154 0.020 1 51 7 7 PHE HA H 4.674 0.020 1 52 7 7 PHE HB2 H 3.106 0.020 2 53 7 7 PHE HB3 H 2.921 0.020 2 54 7 7 PHE HD1 H 7.155 0.020 1 55 7 7 PHE HE1 H 7.218 0.020 1 56 7 7 PHE HZ H 6.902 0.020 1 57 7 7 PHE C C 174.957 0.3 1 58 7 7 PHE CA C 57.148 0.3 1 59 7 7 PHE CB C 39.838 0.3 1 60 7 7 PHE CD1 C 131.578 0.3 1 61 7 7 PHE CE1 C 129.654 0.3 1 62 7 7 PHE CZ C 131.264 0.3 1 63 7 7 PHE N N 123.336 0.3 1 64 8 8 HIS H H 8.238 0.020 1 65 8 8 HIS HA H 4.609 0.020 1 66 8 8 HIS HB2 H 3.008 0.020 2 67 8 8 HIS HB3 H 3.128 0.020 2 68 8 8 HIS HD2 H 6.972 0.020 1 69 8 8 HIS HE1 H 8.108 0.020 1 70 8 8 HIS C C 175.022 0.3 1 71 8 8 HIS CA C 56.342 0.3 1 72 8 8 HIS CB C 30.972 0.3 1 73 8 8 HIS CD2 C 120.057 0.3 1 74 8 8 HIS CE1 C 137.096 0.3 1 75 8 8 HIS N N 122.658 0.3 1 76 9 9 MET H H 8.301 0.020 1 77 9 9 MET HA H 4.471 0.020 1 78 9 9 MET HB2 H 2.124 0.020 2 79 9 9 MET HB3 H 1.996 0.020 2 80 9 9 MET HG2 H 2.554 0.020 2 81 9 9 MET HG3 H 2.487 0.020 2 82 9 9 MET HE H 2.082 0.020 1 83 9 9 MET C C 176.410 0.3 1 84 9 9 MET CA C 55.986 0.3 1 85 9 9 MET CB C 32.609 0.3 1 86 9 9 MET CG C 32.121 0.3 1 87 9 9 MET CE C 16.970 0.3 1 88 9 9 MET N N 121.186 0.3 1 89 10 10 GLY H H 8.466 0.020 1 90 10 10 GLY HA2 H 4.004 0.020 2 91 10 10 GLY HA3 H 3.921 0.020 2 92 10 10 GLY C C 173.471 0.3 1 93 10 10 GLY CA C 45.373 0.3 1 94 10 10 GLY N N 110.525 0.3 1 95 11 11 GLU H H 8.028 0.020 1 96 11 11 GLU HA H 4.700 0.020 1 97 11 11 GLU HB3 H 1.883 0.020 1 98 11 11 GLU HG2 H 2.211 0.020 2 99 11 11 GLU HG3 H 2.113 0.020 2 100 11 11 GLU C C 176.081 0.3 1 101 11 11 GLU CA C 56.061 0.3 1 102 11 11 GLU CB C 29.200 0.3 1 103 11 11 GLU CG C 37.535 0.3 1 104 11 11 GLU N N 119.740 0.3 1 105 12 12 PHE H H 8.537 0.020 1 106 12 12 PHE HA H 4.750 0.020 1 107 12 12 PHE HB2 H 3.118 0.020 2 108 12 12 PHE HB3 H 2.715 0.020 2 109 12 12 PHE HD1 H 7.217 0.020 1 110 12 12 PHE HE1 H 7.254 0.020 1 111 12 12 PHE HZ H 6.900 0.020 1 112 12 12 PHE C C 174.339 0.3 1 113 12 12 PHE CA C 56.145 0.3 1 114 12 12 PHE CB C 41.952 0.3 1 115 12 12 PHE CD1 C 132.442 0.3 1 116 12 12 PHE CE1 C 131.292 0.3 1 117 12 12 PHE CZ C 128.900 0.3 1 118 12 12 PHE N N 118.338 0.3 1 119 13 13 SER H H 8.534 0.020 1 120 13 13 SER HA H 4.773 0.020 1 121 13 13 SER HB2 H 3.788 0.020 2 122 13 13 SER HB3 H 3.916 0.020 2 123 13 13 SER C C 174.536 0.3 1 124 13 13 SER CA C 57.099 0.3 1 125 13 13 SER CB C 64.712 0.3 1 126 13 13 SER N N 115.531 0.3 1 127 14 14 VAL H H 7.216 0.020 1 128 14 14 VAL HA H 4.047 0.020 1 129 14 14 VAL HB H 2.150 0.020 1 130 14 14 VAL HG1 H 1.003 0.020 2 131 14 14 VAL HG2 H 0.850 0.020 2 132 14 14 VAL C C 175.421 0.3 1 133 14 14 VAL CA C 63.630 0.3 1 134 14 14 VAL CB C 32.353 0.3 1 135 14 14 VAL CG1 C 22.599 0.3 1 136 14 14 VAL CG2 C 23.378 0.3 1 137 14 14 VAL N N 116.479 0.3 1 138 15 15 CYS H H 7.040 0.020 1 139 15 15 CYS HA H 4.700 0.020 1 140 15 15 CYS HB2 H 2.665 0.020 2 141 15 15 CYS HB3 H 3.106 0.020 2 142 15 15 CYS C C 175.208 0.3 1 143 15 15 CYS CA C 54.507 0.3 1 144 15 15 CYS CB C 47.589 0.3 1 145 15 15 CYS N N 114.284 0.3 1 146 16 16 ASP H H 7.811 0.020 1 147 16 16 ASP HA H 5.179 0.020 1 148 16 16 ASP HB2 H 2.760 0.020 2 149 16 16 ASP HB3 H 2.870 0.020 2 150 16 16 ASP C C 175.417 0.3 1 151 16 16 ASP CA C 57.526 0.3 1 152 16 16 ASP CB C 42.500 0.3 1 153 16 16 ASP N N 125.525 0.3 1 154 17 17 SER H H 8.934 0.020 1 155 17 17 SER HA H 5.162 0.020 1 156 17 17 SER HB2 H 3.537 0.020 2 157 17 17 SER HB3 H 3.675 0.020 2 158 17 17 SER C C 172.613 0.3 1 159 17 17 SER CA C 57.253 0.3 1 160 17 17 SER CB C 67.008 0.3 1 161 17 17 SER N N 118.963 0.3 1 162 18 18 VAL H H 8.661 0.020 1 163 18 18 VAL HA H 4.449 0.020 1 164 18 18 VAL HB H 1.833 0.020 1 165 18 18 VAL HG1 H 0.811 0.020 2 166 18 18 VAL HG2 H 0.722 0.020 2 167 18 18 VAL C C 174.123 0.3 1 168 18 18 VAL CA C 60.888 0.3 1 169 18 18 VAL CB C 34.884 0.3 1 170 18 18 VAL CG1 C 20.246 0.3 1 171 18 18 VAL CG2 C 21.155 0.3 1 172 18 18 VAL N N 119.594 0.3 1 173 19 19 SER H H 8.509 0.020 1 174 19 19 SER HA H 5.404 0.020 1 175 19 19 SER HB2 H 3.249 0.020 2 176 19 19 SER HB3 H 3.121 0.020 2 177 19 19 SER C C 173.044 0.3 1 178 19 19 SER CA C 57.542 0.3 1 179 19 19 SER CB C 65.283 0.3 1 180 19 19 SER N N 123.331 0.3 1 181 20 20 VAL H H 8.739 0.020 1 182 20 20 VAL HA H 4.457 0.020 1 183 20 20 VAL HB H 2.026 0.020 1 184 20 20 VAL HG1 H 0.856 0.020 2 185 20 20 VAL HG2 H 0.830 0.020 2 186 20 20 VAL C C 173.461 0.3 1 187 20 20 VAL CA C 59.829 0.3 1 188 20 20 VAL CB C 36.591 0.3 1 189 20 20 VAL CG1 C 21.606 0.3 1 190 20 20 VAL CG2 C 20.276 0.3 1 191 20 20 VAL N N 121.143 0.3 1 192 21 21 TRP H H 8.437 0.020 1 193 21 21 TRP HA H 5.188 0.020 1 194 21 21 TRP HB2 H 3.007 0.020 2 195 21 21 TRP HB3 H 3.159 0.020 2 196 21 21 TRP HD1 H 7.299 0.020 1 197 21 21 TRP HE1 H 9.868 0.020 1 198 21 21 TRP HE3 H 7.220 0.020 1 199 21 21 TRP HZ2 H 6.432 0.020 1 200 21 21 TRP HZ3 H 6.119 0.020 1 201 21 21 TRP HH2 H 5.616 0.020 1 202 21 21 TRP C C 176.970 0.3 1 203 21 21 TRP CA C 56.868 0.3 1 204 21 21 TRP CB C 29.762 0.3 1 205 21 21 TRP CD1 C 127.326 0.3 1 206 21 21 TRP CE3 C 119.230 0.3 1 207 21 21 TRP CZ2 C 114.443 0.3 1 208 21 21 TRP CZ3 C 121.480 0.3 1 209 21 21 TRP CH2 C 123.310 0.3 1 210 21 21 TRP N N 122.418 0.3 1 211 21 21 TRP NE1 N 129.155 0.3 1 212 22 22 VAL H H 9.954 0.020 1 213 22 22 VAL HA H 4.471 0.020 1 214 22 22 VAL HB H 2.425 0.020 1 215 22 22 VAL HG1 H 1.111 0.020 2 216 22 22 VAL HG2 H 1.237 0.020 2 217 22 22 VAL C C 176.433 0.3 1 218 22 22 VAL CA C 62.701 0.3 1 219 22 22 VAL CB C 34.184 0.3 1 220 22 22 VAL CG1 C 21.497 0.3 1 221 22 22 VAL CG2 C 22.173 0.3 1 222 22 22 VAL N N 126.159 0.3 1 223 23 23 GLY H H 9.107 0.020 1 224 23 23 GLY HA2 H 4.565 0.020 2 225 23 23 GLY HA3 H 3.280 0.020 2 226 23 23 GLY C C 173.555 0.3 1 227 23 23 GLY CA C 45.201 0.3 1 228 23 23 GLY N N 115.860 0.3 1 229 24 24 ASP H H 8.120 0.020 1 230 24 24 ASP HA H 4.781 0.020 1 231 24 24 ASP HB2 H 2.998 0.020 2 232 24 24 ASP HB3 H 2.488 0.020 2 233 24 24 ASP C C 175.789 0.3 1 234 24 24 ASP CA C 52.125 0.3 1 235 24 24 ASP CB C 40.536 0.3 1 236 24 24 ASP N N 120.535 0.3 1 237 25 25 LYS H H 8.537 0.020 1 238 25 25 LYS HA H 4.177 0.020 1 239 25 25 LYS HB2 H 1.780 0.020 2 240 25 25 LYS HB3 H 1.703 0.020 2 241 25 25 LYS HG2 H 1.266 0.020 2 242 25 25 LYS HG3 H 1.373 0.020 2 243 25 25 LYS HD2 H 1.663 0.020 2 244 25 25 LYS HD3 H 1.434 0.020 2 245 25 25 LYS HE2 H 2.450 0.020 2 246 25 25 LYS HE3 H 2.630 0.020 2 247 25 25 LYS C C 176.690 0.3 1 248 25 25 LYS CA C 57.710 0.3 1 249 25 25 LYS CB C 33.700 0.3 1 250 25 25 LYS CG C 24.795 0.3 1 251 25 25 LYS CD C 28.754 0.3 1 252 25 25 LYS CE C 39.970 0.3 1 253 25 25 LYS N N 122.022 0.3 1 254 26 26 THR H H 8.610 0.020 1 255 26 26 THR HA H 4.659 0.020 1 256 26 26 THR HB H 4.161 0.020 1 257 26 26 THR HG2 H 1.126 0.020 1 258 26 26 THR C C 175.546 0.3 1 259 26 26 THR CA C 62.212 0.3 1 260 26 26 THR CB C 70.152 0.3 1 261 26 26 THR CG2 C 21.600 0.3 1 262 26 26 THR N N 116.162 0.3 1 263 27 27 THR H H 7.877 0.020 1 264 27 27 THR HA H 5.238 0.020 1 265 27 27 THR HB H 4.025 0.020 1 266 27 27 THR HG2 H 1.155 0.020 1 267 27 27 THR C C 172.459 0.3 1 268 27 27 THR CA C 60.695 0.3 1 269 27 27 THR CB C 71.768 0.3 1 270 27 27 THR CG2 C 21.687 0.3 1 271 27 27 THR N N 116.492 0.3 1 272 28 28 ALA H H 8.777 0.020 1 273 28 28 ALA HA H 4.568 0.020 1 274 28 28 ALA HB H 1.109 0.020 1 275 28 28 ALA C C 174.513 0.3 1 276 28 28 ALA CA C 50.953 0.3 1 277 28 28 ALA CB C 23.805 0.3 1 278 28 28 ALA N N 124.266 0.3 1 279 29 29 THR H H 8.858 0.020 1 280 29 29 THR HA H 4.910 0.020 1 281 29 29 THR HB H 3.725 0.020 1 282 29 29 THR HG2 H 1.216 0.020 1 283 29 29 THR C C 174.251 0.3 1 284 29 29 THR CA C 61.578 0.3 1 285 29 29 THR CB C 70.355 0.3 1 286 29 29 THR CG2 C 21.973 0.3 1 287 29 29 THR N N 116.147 0.3 1 288 30 30 ASP H H 9.358 0.020 1 289 30 30 ASP HA H 5.387 0.020 1 290 30 30 ASP HB2 H 3.340 0.020 2 291 30 30 ASP HB3 H 2.500 0.020 2 292 30 30 ASP C C 179.547 0.3 1 293 30 30 ASP CA C 52.691 0.3 1 294 30 30 ASP CB C 42.731 0.3 1 295 30 30 ASP N N 126.156 0.3 1 296 31 31 ILE H H 7.713 0.020 1 297 31 31 ILE HA H 3.847 0.020 1 298 31 31 ILE HB H 1.353 0.020 1 299 31 31 ILE HG12 H 0.761 0.020 2 300 31 31 ILE HG13 H 0.794 0.020 2 301 31 31 ILE HG2 H 0.890 0.020 1 302 31 31 ILE HD1 H 0.152 0.020 1 303 31 31 ILE C C 175.348 0.3 1 304 31 31 ILE CA C 63.682 0.3 1 305 31 31 ILE CB C 39.610 0.3 1 306 31 31 ILE CG1 C 29.031 0.3 1 307 31 31 ILE CG2 C 16.674 0.3 1 308 31 31 ILE CD1 C 14.450 0.3 1 309 31 31 ILE N N 117.420 0.3 1 310 32 32 LYS H H 7.872 0.020 1 311 32 32 LYS HA H 4.375 0.020 1 312 32 32 LYS HB3 H 2.007 0.020 1 313 32 32 LYS HG2 H 1.342 0.020 2 314 32 32 LYS HG3 H 1.456 0.020 2 315 32 32 LYS HD3 H 1.646 0.020 1 316 32 32 LYS HE3 H 2.942 0.020 1 317 32 32 LYS C C 176.834 0.3 1 318 32 32 LYS CA C 55.684 0.3 1 319 32 32 LYS CB C 32.136 0.3 1 320 32 32 LYS CG C 25.646 0.3 1 321 32 32 LYS CD C 28.989 0.3 1 322 32 32 LYS CE C 42.255 0.3 1 323 32 32 LYS N N 121.152 0.3 1 324 33 33 GLY H H 8.180 0.020 1 325 33 33 GLY HA2 H 3.471 0.020 2 326 33 33 GLY HA3 H 4.246 0.020 2 327 33 33 GLY C C 173.826 0.3 1 328 33 33 GLY CA C 45.337 0.3 1 329 33 33 GLY N N 108.655 0.3 1 330 34 34 LYS H H 8.679 0.020 1 331 34 34 LYS HA H 4.422 0.020 1 332 34 34 LYS HB2 H 1.936 0.020 2 333 34 34 LYS HB3 H 1.719 0.020 2 334 34 34 LYS HG2 H 1.351 0.020 2 335 34 34 LYS HG3 H 1.377 0.020 2 336 34 34 LYS HD3 H 1.661 0.020 1 337 34 34 LYS HE2 H 2.934 0.020 2 338 34 34 LYS HE3 H 2.820 0.020 2 339 34 34 LYS C C 175.384 0.3 1 340 34 34 LYS CA C 54.920 0.3 1 341 34 34 LYS CB C 33.527 0.3 1 342 34 34 LYS CG C 24.775 0.3 1 343 34 34 LYS CD C 29.087 0.3 1 344 34 34 LYS CE C 41.948 0.3 1 345 34 34 LYS N N 124.277 0.3 1 346 35 35 GLU H H 8.466 0.020 1 347 35 35 GLU HA H 4.818 0.020 1 348 35 35 GLU HB3 H 1.928 0.020 1 349 35 35 GLU HG2 H 2.111 0.020 2 350 35 35 GLU HG3 H 2.207 0.020 2 351 35 35 GLU C C 176.544 0.3 1 352 35 35 GLU CA C 56.619 0.3 1 353 35 35 GLU CB C 30.120 0.3 1 354 35 35 GLU CG C 37.163 0.3 1 355 35 35 GLU N N 124.297 0.3 1 356 36 36 VAL H H 9.147 0.020 1 357 36 36 VAL HA H 4.830 0.020 1 358 36 36 VAL HB H 2.087 0.020 1 359 36 36 VAL HG1 H 0.779 0.020 2 360 36 36 VAL HG2 H 0.628 0.020 2 361 36 36 VAL C C 174.264 0.3 1 362 36 36 VAL CA C 58.986 0.3 1 363 36 36 VAL CB C 35.753 0.3 1 364 36 36 VAL CG1 C 22.010 0.3 1 365 36 36 VAL CG2 C 18.608 0.3 1 366 36 36 VAL N N 118.977 0.3 1 367 37 37 THR H H 8.403 0.020 1 368 37 37 THR HA H 4.770 0.020 1 369 37 37 THR HB H 4.142 0.020 1 370 37 37 THR HG2 H 1.120 0.020 1 371 37 37 THR C C 174.323 0.3 1 372 37 37 THR CA C 62.260 0.3 1 373 37 37 THR CB C 69.805 0.3 1 374 37 37 THR CG2 C 21.707 0.3 1 375 37 37 THR N N 117.399 0.3 1 376 38 38 VAL H H 8.326 0.020 1 377 38 38 VAL HA H 3.823 0.020 1 378 38 38 VAL HB H 1.818 0.020 1 379 38 38 VAL HG1 H 0.905 0.020 2 380 38 38 VAL HG2 H 0.491 0.020 2 381 38 38 VAL C C 174.973 0.3 1 382 38 38 VAL CA C 62.156 0.3 1 383 38 38 VAL CB C 32.421 0.3 1 384 38 38 VAL CG1 C 22.040 0.3 1 385 38 38 VAL CG2 C 22.523 0.3 1 386 38 38 VAL N N 128.028 0.3 1 387 39 39 LEU H H 7.267 0.020 1 388 39 39 LEU HA H 4.256 0.020 1 389 39 39 LEU HB2 H 1.118 0.020 2 390 39 39 LEU HB3 H 1.586 0.020 2 391 39 39 LEU HG H 1.431 0.020 1 392 39 39 LEU HD1 H 0.714 0.020 2 393 39 39 LEU HD2 H 0.754 0.020 2 394 39 39 LEU C C 177.648 0.3 1 395 39 39 LEU CA C 55.035 0.3 1 396 39 39 LEU CB C 41.355 0.3 1 397 39 39 LEU CG C 28.721 0.3 1 398 39 39 LEU CD1 C 24.793 0.3 1 399 39 39 LEU CD2 C 23.399 0.3 1 400 39 39 LEU N N 127.407 0.3 1 401 40 40 ALA H H 8.512 0.020 1 402 40 40 ALA HA H 4.285 0.020 1 403 40 40 ALA HB H 1.449 0.020 1 404 40 40 ALA C C 178.154 0.3 1 405 40 40 ALA CA C 54.957 0.3 1 406 40 40 ALA CB C 19.414 0.3 1 407 40 40 ALA N N 124.579 0.3 1 408 41 41 GLU H H 7.581 0.020 1 409 41 41 GLU HA H 4.874 0.020 1 410 41 41 GLU HB2 H 1.965 0.020 2 411 41 41 GLU HB3 H 1.709 0.020 2 412 41 41 GLU HG3 H 1.913 0.020 1 413 41 41 GLU C C 174.092 0.3 1 414 41 41 GLU CA C 54.380 0.3 1 415 41 41 GLU CB C 33.778 0.3 1 416 41 41 GLU CG C 36.614 0.3 1 417 41 41 GLU N N 113.348 0.3 1 418 42 42 VAL H H 8.538 0.020 1 419 42 42 VAL HA H 3.923 0.020 1 420 42 42 VAL HB H 1.110 0.020 1 421 42 42 VAL HG1 H 0.430 0.020 2 422 42 42 VAL HG2 H 0.600 0.020 2 423 42 42 VAL C C 173.123 0.3 1 424 42 42 VAL CA C 60.214 0.3 1 425 42 42 VAL CB C 33.800 0.3 1 426 42 42 VAL CG1 C 20.798 0.3 1 427 42 42 VAL CG2 C 21.850 0.3 1 428 42 42 VAL N N 119.278 0.3 1 429 43 43 ASN H H 7.978 0.020 1 430 43 43 ASN HA H 5.143 0.020 1 431 43 43 ASN HB2 H 2.780 0.020 2 432 43 43 ASN HB3 H 2.475 0.020 2 433 43 43 ASN HD21 H 7.242 0.020 1 434 43 43 ASN HD22 H 6.667 0.020 1 435 43 43 ASN C C 175.066 0.3 1 436 43 43 ASN CA C 51.986 0.3 1 437 43 43 ASN CB C 39.713 0.3 1 438 43 43 ASN N N 123.340 0.3 1 439 43 43 ASN ND2 N 110.598 0.3 1 440 44 44 ILE H H 8.583 0.020 1 441 44 44 ILE HA H 4.344 0.020 1 442 44 44 ILE HB H 1.758 0.020 1 443 44 44 ILE HG12 H 0.932 0.020 2 444 44 44 ILE HG13 H 1.300 0.020 2 445 44 44 ILE HG2 H 0.858 0.020 1 446 44 44 ILE HD1 H 0.485 0.020 1 447 44 44 ILE C C 174.147 0.3 1 448 44 44 ILE CA C 60.104 0.3 1 449 44 44 ILE CB C 39.923 0.3 1 450 44 44 ILE CG1 C 27.039 0.3 1 451 44 44 ILE CG2 C 17.769 0.3 1 452 44 44 ILE CD1 C 13.255 0.3 1 453 44 44 ILE N N 123.976 0.3 1 454 45 45 ASN H H 8.050 0.020 1 455 45 45 ASN HA H 4.720 0.020 1 456 45 45 ASN HB2 H 3.101 0.020 2 457 45 45 ASN HB3 H 2.895 0.020 2 458 45 45 ASN HD21 H 7.661 0.020 1 459 45 45 ASN HD22 H 7.010 0.020 1 460 45 45 ASN C C 174.758 0.3 1 461 45 45 ASN CA C 50.587 0.3 1 462 45 45 ASN CB C 37.450 0.3 1 463 45 45 ASN N N 117.111 0.3 1 464 45 45 ASN ND2 N 112.353 0.3 1 465 46 46 ASN H H 8.513 0.020 1 466 46 46 ASN HA H 4.412 0.020 1 467 46 46 ASN HB3 H 3.066 0.020 1 468 46 46 ASN HD21 H 7.546 0.020 1 469 46 46 ASN HD22 H 6.886 0.020 1 470 46 46 ASN C C 174.552 0.3 1 471 46 46 ASN CA C 54.945 0.3 1 472 46 46 ASN CB C 37.744 0.3 1 473 46 46 ASN N N 111.795 0.3 1 474 46 46 ASN ND2 N 113.188 0.3 1 475 47 47 SER H H 7.875 0.020 1 476 47 47 SER HA H 4.451 0.020 1 477 47 47 SER HB2 H 3.920 0.020 2 478 47 47 SER HB3 H 3.861 0.020 2 479 47 47 SER C C 172.361 0.3 1 480 47 47 SER CA C 58.071 0.3 1 481 47 47 SER CB C 65.059 0.3 1 482 47 47 SER N N 116.234 0.3 1 483 48 48 VAL H H 8.278 0.020 1 484 48 48 VAL HA H 4.943 0.020 1 485 48 48 VAL HB H 1.794 0.020 1 486 48 48 VAL HG1 H 0.710 0.020 2 487 48 48 VAL HG2 H 0.759 0.020 2 488 48 48 VAL C C 174.028 0.3 1 489 48 48 VAL CA C 60.936 0.3 1 490 48 48 VAL CB C 33.838 0.3 1 491 48 48 VAL CG1 C 20.878 0.3 1 492 48 48 VAL CG2 C 21.240 0.3 1 493 48 48 VAL N N 123.340 0.3 1 494 49 49 PHE H H 8.668 0.020 1 495 49 49 PHE HA H 4.921 0.020 1 496 49 49 PHE HB2 H 2.931 0.020 2 497 49 49 PHE HB3 H 3.183 0.020 2 498 49 49 PHE HD1 H 6.960 0.020 1 499 49 49 PHE HE1 H 6.838 0.020 1 500 49 49 PHE HZ H 7.592 0.020 1 501 49 49 PHE C C 176.620 0.3 1 502 49 49 PHE CA C 55.163 0.3 1 503 49 49 PHE CB C 41.394 0.3 1 504 49 49 PHE CD1 C 132.677 0.3 1 505 49 49 PHE CE1 C 130.761 0.3 1 506 49 49 PHE CZ C 129.168 0.3 1 507 49 49 PHE N N 121.675 0.3 1 508 50 50 ARG H H 8.295 0.020 1 509 50 50 ARG HA H 4.319 0.020 1 510 50 50 ARG HB3 H 1.764 0.020 1 511 50 50 ARG HG2 H 1.486 0.020 2 512 50 50 ARG HG3 H 1.500 0.020 2 513 50 50 ARG HD2 H 3.173 0.020 2 514 50 50 ARG HD3 H 3.231 0.020 2 515 50 50 ARG C C 172.636 0.3 1 516 50 50 ARG CA C 57.879 0.3 1 517 50 50 ARG CB C 31.308 0.3 1 518 50 50 ARG CG C 27.603 0.3 1 519 50 50 ARG CD C 42.840 0.3 1 520 50 50 ARG N N 122.254 0.3 1 521 51 51 GLN H H 8.235 0.020 1 522 51 51 GLN HA H 4.478 0.020 1 523 51 51 GLN HB3 H 2.018 0.020 1 524 51 51 GLN HG2 H 2.208 0.020 1 525 51 51 GLN HG3 H 2.208 0.020 1 526 51 51 GLN HE21 H 8.518 0.020 1 527 51 51 GLN HE22 H 7.421 0.020 1 528 51 51 GLN C C 176.773 0.3 1 529 51 51 GLN CA C 55.824 0.3 1 530 51 51 GLN CB C 30.402 0.3 1 531 51 51 GLN CG C 33.302 0.3 1 532 51 51 GLN N N 119.335 0.3 1 533 51 51 GLN NE2 N 113.212 0.3 1 534 52 52 TYR H H 9.007 0.020 1 535 52 52 TYR HA H 4.900 0.020 1 536 52 52 TYR HB2 H 3.269 0.020 2 537 52 52 TYR HB3 H 3.245 0.020 2 538 52 52 TYR HD1 H 7.027 0.020 1 539 52 52 TYR HE1 H 6.769 0.020 1 540 52 52 TYR C C 175.186 0.3 1 541 52 52 TYR CA C 56.884 0.3 1 542 52 52 TYR CB C 39.715 0.3 1 543 52 52 TYR CD1 C 132.924 0.3 1 544 52 52 TYR CE1 C 118.231 0.3 1 545 52 52 TYR N N 126.466 0.3 1 546 53 53 PHE H H 8.813 0.020 1 547 53 53 PHE HA H 5.292 0.020 1 548 53 53 PHE HB2 H 2.920 0.020 2 549 53 53 PHE HB3 H 3.119 0.020 2 550 53 53 PHE HD1 H 7.363 0.020 1 551 53 53 PHE HE1 H 7.117 0.020 1 552 53 53 PHE HZ H 6.944 0.020 1 553 53 53 PHE C C 172.996 0.3 1 554 53 53 PHE CA C 56.627 0.3 1 555 53 53 PHE CB C 40.245 0.3 1 556 53 53 PHE CD1 C 132.953 0.3 1 557 53 53 PHE CE1 C 129.437 0.3 1 558 53 53 PHE CZ C 131.215 0.3 1 559 53 53 PHE N N 116.799 0.3 1 560 54 54 PHE H H 9.060 0.020 1 561 54 54 PHE HA H 4.509 0.020 1 562 54 54 PHE HB2 H 2.719 0.020 2 563 54 54 PHE HB3 H 2.852 0.020 2 564 54 54 PHE HD1 H 6.165 0.020 1 565 54 54 PHE HE1 H 6.890 0.020 1 566 54 54 PHE HZ H 6.260 0.020 1 567 54 54 PHE C C 173.843 0.3 1 568 54 54 PHE CA C 56.733 0.3 1 569 54 54 PHE CB C 38.892 0.3 1 570 54 54 PHE CD1 C 131.552 0.3 1 571 54 54 PHE CE1 C 131.210 0.3 1 572 54 54 PHE CZ C 131.544 0.3 1 573 54 54 PHE N N 127.511 0.3 1 574 55 55 GLU H H 8.497 0.020 1 575 55 55 GLU HA H 4.899 0.020 1 576 55 55 GLU HB2 H 1.962 0.020 2 577 55 55 GLU HB3 H 1.715 0.020 2 578 55 55 GLU HG2 H 2.332 0.020 2 579 55 55 GLU HG3 H 2.157 0.020 2 580 55 55 GLU C C 174.838 0.3 1 581 55 55 GLU CA C 55.278 0.3 1 582 55 55 GLU CB C 33.707 0.3 1 583 55 55 GLU CG C 37.714 0.3 1 584 55 55 GLU N N 127.727 0.3 1 585 56 56 THR H H 7.678 0.020 1 586 56 56 THR HA H 4.928 0.020 1 587 56 56 THR HB H 3.214 0.020 1 588 56 56 THR HG2 H 0.819 0.020 1 589 56 56 THR C C 170.853 0.3 1 590 56 56 THR CA C 61.177 0.3 1 591 56 56 THR CB C 70.925 0.3 1 592 56 56 THR CG2 C 21.970 0.3 1 593 56 56 THR N N 120.838 0.3 1 594 57 57 LYS H H 8.194 0.020 1 595 57 57 LYS HA H 4.617 0.020 1 596 57 57 LYS HB2 H 1.623 0.020 2 597 57 57 LYS HB3 H 1.779 0.020 2 598 57 57 LYS HG2 H 1.168 0.020 2 599 57 57 LYS HG3 H 1.390 0.020 2 600 57 57 LYS HD2 H 1.650 0.020 2 601 57 57 LYS HD3 H 1.602 0.020 2 602 57 57 LYS HE2 H 2.973 0.020 2 603 57 57 LYS HE3 H 2.871 0.020 2 604 57 57 LYS C C 176.399 0.3 1 605 57 57 LYS CA C 52.848 0.3 1 606 57 57 LYS CB C 36.598 0.3 1 607 57 57 LYS CG C 23.652 0.3 1 608 57 57 LYS CD C 29.149 0.3 1 609 57 57 LYS CE C 42.461 0.3 1 610 57 57 LYS N N 118.346 0.3 1 611 58 58 CYS H H 8.050 0.020 1 612 58 58 CYS HA H 4.650 0.020 1 613 58 58 CYS HB2 H 2.691 0.020 2 614 58 58 CYS HB3 H 2.611 0.020 2 615 58 58 CYS C C 175.767 0.3 1 616 58 58 CYS CA C 54.066 0.3 1 617 58 58 CYS CB C 41.368 0.3 1 618 58 58 CYS N N 116.171 0.3 1 619 59 59 ARG H H 8.309 0.020 1 620 59 59 ARG HA H 4.004 0.020 1 621 59 59 ARG HB2 H 1.480 0.020 2 622 59 59 ARG HB3 H 1.773 0.020 2 623 59 59 ARG HG2 H 1.501 0.020 2 624 59 59 ARG HG3 H 1.765 0.020 2 625 59 59 ARG HD2 H 3.151 0.020 2 626 59 59 ARG HD3 H 3.231 0.020 2 627 59 59 ARG C C 173.692 0.3 1 628 59 59 ARG CA C 58.143 0.3 1 629 59 59 ARG CB C 31.037 0.3 1 630 59 59 ARG CG C 27.779 0.3 1 631 59 59 ARG CD C 43.408 0.3 1 632 59 59 ARG N N 122.977 0.3 1 633 60 60 ALA H H 8.409 0.020 1 634 60 60 ALA HA H 4.746 0.020 1 635 60 60 ALA HB H 1.379 0.020 1 636 60 60 ALA C C 175.219 0.3 1 637 60 60 ALA CA C 53.201 0.3 1 638 60 60 ALA CB C 19.548 0.3 1 639 60 60 ALA N N 122.100 0.3 1 640 61 61 SER HA H 3.905 0.020 1 641 61 61 SER HB3 H 3.947 0.020 1 642 61 61 SER CA C 57.981 0.3 1 643 61 61 SER CB C 63.619 0.3 1 644 62 62 ASN H H 7.876 0.020 1 645 62 62 ASN HA H 5.128 0.020 1 646 62 62 ASN HB2 H 2.754 0.020 2 647 62 62 ASN HB3 H 2.886 0.020 2 648 62 62 ASN HD21 H 6.852 0.020 1 649 62 62 ASN HD22 H 7.215 0.020 1 650 62 62 ASN CA C 50.676 0.3 1 651 62 62 ASN CB C 38.069 0.3 1 652 62 62 ASN N N 112.295 0.3 1 653 62 62 ASN ND2 N 112.064 0.3 1 654 63 63 PRO HA H 4.236 0.020 1 655 63 63 PRO HB2 H 1.850 0.020 2 656 63 63 PRO HB3 H 2.386 0.020 2 657 63 63 PRO HG2 H 2.380 0.020 2 658 63 63 PRO HG3 H 2.301 0.020 2 659 63 63 PRO HD2 H 3.352 0.020 2 660 63 63 PRO HD3 H 3.909 0.020 2 661 63 63 PRO C C 177.648 0.3 1 662 63 63 PRO CA C 64.759 0.3 1 663 63 63 PRO CB C 31.936 0.3 1 664 63 63 PRO CG C 27.930 0.3 1 665 63 63 PRO CD C 51.608 0.3 1 666 64 64 VAL H H 7.661 0.020 1 667 64 64 VAL HA H 4.424 0.020 1 668 64 64 VAL HB H 2.296 0.020 1 669 64 64 VAL HG1 H 0.907 0.020 2 670 64 64 VAL HG2 H 0.656 0.020 2 671 64 64 VAL C C 176.767 0.3 1 672 64 64 VAL CA C 60.249 0.3 1 673 64 64 VAL CB C 34.042 0.3 1 674 64 64 VAL CG1 C 22.219 0.3 1 675 64 64 VAL CG2 C 19.708 0.3 1 676 64 64 VAL N N 110.228 0.3 1 677 65 65 GLU H H 8.546 0.020 1 678 65 65 GLU HA H 4.068 0.020 1 679 65 65 GLU HB3 H 2.057 0.020 1 680 65 65 GLU HG3 H 2.307 0.020 1 681 65 65 GLU C C 177.695 0.3 1 682 65 65 GLU CA C 59.371 0.3 1 683 65 65 GLU CB C 29.605 0.3 1 684 65 65 GLU CG C 36.378 0.3 1 685 65 65 GLU N N 120.861 0.3 1 686 66 66 SER H H 7.722 0.020 1 687 66 66 SER HA H 4.437 0.020 1 688 66 66 SER HB2 H 4.161 0.020 2 689 66 66 SER HB3 H 3.857 0.020 2 690 66 66 SER C C 173.993 0.3 1 691 66 66 SER CA C 58.699 0.3 1 692 66 66 SER CB C 63.888 0.3 1 693 66 66 SER N N 109.598 0.3 1 694 67 67 GLY H H 7.860 0.020 1 695 67 67 GLY HA2 H 3.921 0.020 2 696 67 67 GLY HA3 H 3.743 0.020 2 697 67 67 GLY C C 172.348 0.3 1 698 67 67 GLY CA C 45.579 0.3 1 699 67 67 GLY N N 112.408 0.3 1 700 68 68 CYS H H 8.490 0.020 1 701 68 68 CYS HA H 4.175 0.020 1 702 68 68 CYS HB2 H 2.672 0.020 2 703 68 68 CYS HB3 H 3.292 0.020 2 704 68 68 CYS C C 174.131 0.3 1 705 68 68 CYS CA C 54.436 0.3 1 706 68 68 CYS CB C 42.458 0.3 1 707 68 68 CYS N N 119.417 0.3 1 708 69 69 ARG H H 8.883 0.020 1 709 69 69 ARG HA H 3.827 0.020 1 710 69 69 ARG HB2 H 1.818 0.020 2 711 69 69 ARG HB3 H 1.450 0.020 2 712 69 69 ARG HG2 H 1.562 0.020 2 713 69 69 ARG HG3 H 1.400 0.020 2 714 69 69 ARG HD2 H 3.168 0.020 2 715 69 69 ARG HD3 H 2.902 0.020 2 716 69 69 ARG C C 174.885 0.3 1 717 69 69 ARG CA C 57.413 0.3 1 718 69 69 ARG CB C 31.844 0.3 1 719 69 69 ARG CG C 27.085 0.3 1 720 69 69 ARG CD C 43.386 0.3 1 721 69 69 ARG N N 124.603 0.3 1 722 70 70 GLY H H 8.195 0.020 1 723 70 70 GLY HA2 H 2.829 0.020 2 724 70 70 GLY HA3 H 3.168 0.020 2 725 70 70 GLY C C 172.954 0.3 1 726 70 70 GLY CA C 44.738 0.3 1 727 70 70 GLY N N 106.794 0.3 1 728 71 71 ILE H H 6.417 0.020 1 729 71 71 ILE HA H 4.040 0.020 1 730 71 71 ILE HB H 1.775 0.020 1 731 71 71 ILE HG12 H 1.078 0.020 2 732 71 71 ILE HG13 H 1.415 0.020 2 733 71 71 ILE HG2 H 0.700 0.020 1 734 71 71 ILE HD1 H 0.353 0.020 1 735 71 71 ILE C C 177.286 0.3 1 736 71 71 ILE CA C 57.744 0.3 1 737 71 71 ILE CB C 36.863 0.3 1 738 71 71 ILE CG1 C 28.455 0.3 1 739 71 71 ILE CG2 C 18.590 0.3 1 740 71 71 ILE CD1 C 9.811 0.3 1 741 71 71 ILE N N 118.183 0.3 1 742 72 72 ASP H H 8.955 0.020 1 743 72 72 ASP HA H 4.927 0.020 1 744 72 72 ASP HB3 H 2.473 0.020 1 745 72 72 ASP C C 175.838 0.3 1 746 72 72 ASP CA C 53.182 0.3 1 747 72 72 ASP CB C 39.713 0.3 1 748 72 72 ASP N N 123.964 0.3 1 749 73 73 SER H H 8.317 0.020 1 750 73 73 SER HA H 4.852 0.020 1 751 73 73 SER HB2 H 3.929 0.020 2 752 73 73 SER HB3 H 4.227 0.020 2 753 73 73 SER C C 174.862 0.3 1 754 73 73 SER CA C 59.641 0.3 1 755 73 73 SER CB C 63.625 0.3 1 756 73 73 SER N N 124.899 0.3 1 757 74 74 LYS H H 7.999 0.020 1 758 74 74 LYS HA H 4.014 0.020 1 759 74 74 LYS HB2 H 1.448 0.020 2 760 74 74 LYS HB3 H 1.718 0.020 2 761 74 74 LYS HG2 H 0.985 0.020 2 762 74 74 LYS HG3 H 1.221 0.020 2 763 74 74 LYS HD2 H 1.594 0.020 2 764 74 74 LYS HD3 H 1.448 0.020 2 765 74 74 LYS HE2 H 2.937 0.020 2 766 74 74 LYS HE3 H 2.861 0.020 2 767 74 74 LYS C C 177.471 0.3 1 768 74 74 LYS CA C 58.456 0.3 1 769 74 74 LYS CB C 31.936 0.3 1 770 74 74 LYS CG C 24.797 0.3 1 771 74 74 LYS CD C 29.131 0.3 1 772 74 74 LYS CE C 42.210 0.3 1 773 74 74 LYS N N 120.846 0.3 1 774 75 75 HIS H H 6.947 0.020 1 775 75 75 HIS HA H 4.523 0.020 1 776 75 75 HIS HB2 H 2.399 0.020 2 777 75 75 HIS HB3 H 2.489 0.020 2 778 75 75 HIS HD2 H 6.994 0.020 1 779 75 75 HIS HE1 H 7.822 0.020 1 780 75 75 HIS C C 174.601 0.3 1 781 75 75 HIS CA C 56.890 0.3 1 782 75 75 HIS CB C 32.627 0.3 1 783 75 75 HIS CD2 C 121.697 0.3 1 784 75 75 HIS CE1 C 138.207 0.3 1 785 75 75 HIS N N 111.803 0.3 1 786 76 76 TRP H H 7.800 0.020 1 787 76 76 TRP HA H 5.298 0.020 1 788 76 76 TRP HB2 H 3.285 0.020 2 789 76 76 TRP HB3 H 2.707 0.020 2 790 76 76 TRP HD1 H 6.798 0.020 1 791 76 76 TRP HE1 H 10.432 0.020 1 792 76 76 TRP HE3 H 5.750 0.020 1 793 76 76 TRP HZ2 H 7.313 0.020 1 794 76 76 TRP HZ3 H 5.898 0.020 1 795 76 76 TRP HH2 H 7.591 0.020 1 796 76 76 TRP C C 177.100 0.3 1 797 76 76 TRP CA C 56.121 0.3 1 798 76 76 TRP CB C 32.664 0.3 1 799 76 76 TRP CD1 C 123.828 0.3 1 800 76 76 TRP CE3 C 118.420 0.3 1 801 76 76 TRP CZ2 C 114.134 0.3 1 802 76 76 TRP CZ3 C 116.299 0.3 1 803 76 76 TRP CH2 C 120.975 0.3 1 804 76 76 TRP N N 118.977 0.3 1 805 76 76 TRP NE1 N 128.324 0.3 1 806 77 77 ASN H H 9.290 0.020 1 807 77 77 ASN HA H 5.154 0.020 1 808 77 77 ASN HB2 H 2.904 0.020 2 809 77 77 ASN HB3 H 2.808 0.020 2 810 77 77 ASN HD21 H 7.516 0.020 1 811 77 77 ASN HD22 H 7.093 0.020 1 812 77 77 ASN C C 174.552 0.3 1 813 77 77 ASN CA C 52.703 0.3 1 814 77 77 ASN CB C 40.262 0.3 1 815 77 77 ASN N N 121.796 0.3 1 816 77 77 ASN ND2 N 114.357 0.3 1 817 78 78 SER H H 8.771 0.020 1 818 78 78 SER HA H 5.763 0.020 1 819 78 78 SER HB2 H 4.007 0.020 2 820 78 78 SER HB3 H 3.845 0.020 2 821 78 78 SER C C 172.033 0.3 1 822 78 78 SER CA C 58.320 0.3 1 823 78 78 SER CB C 67.571 0.3 1 824 78 78 SER N N 113.973 0.3 1 825 79 79 TYR H H 8.319 0.020 1 826 79 79 TYR HA H 4.712 0.020 1 827 79 79 TYR HB2 H 2.875 0.020 2 828 79 79 TYR HB3 H 3.341 0.020 2 829 79 79 TYR HD1 H 6.834 0.020 1 830 79 79 TYR HE1 H 6.610 0.020 1 831 79 79 TYR C C 172.493 0.3 1 832 79 79 TYR CA C 57.222 0.3 1 833 79 79 TYR CB C 40.011 0.3 1 834 79 79 TYR CD1 C 133.896 0.3 1 835 79 79 TYR CE1 C 117.498 0.3 1 836 79 79 TYR N N 114.283 0.3 1 837 80 80 CYS H H 9.159 0.020 1 838 80 80 CYS HA H 5.365 0.020 1 839 80 80 CYS HB2 H 3.303 0.020 2 840 80 80 CYS HB3 H 3.070 0.020 2 841 80 80 CYS C C 174.468 0.3 1 842 80 80 CYS CA C 54.749 0.3 1 843 80 80 CYS CB C 43.524 0.3 1 844 80 80 CYS N N 119.506 0.3 1 845 81 81 THR H H 9.525 0.020 1 846 81 81 THR HA H 4.773 0.020 1 847 81 81 THR HB H 4.009 0.020 1 848 81 81 THR HG2 H 0.997 0.020 1 849 81 81 THR C C 171.902 0.3 1 850 81 81 THR CA C 60.503 0.3 1 851 81 81 THR CB C 71.318 0.3 1 852 81 81 THR CG2 C 21.373 0.3 1 853 81 81 THR N N 119.907 0.3 1 854 82 82 THR H H 7.918 0.020 1 855 82 82 THR HA H 5.389 0.020 1 856 82 82 THR HB H 4.153 0.020 1 857 82 82 THR HG2 H 1.396 0.020 1 858 82 82 THR C C 175.896 0.3 1 859 82 82 THR CA C 61.816 0.3 1 860 82 82 THR CB C 70.602 0.3 1 861 82 82 THR CG2 C 23.479 0.3 1 862 82 82 THR N N 120.867 0.3 1 863 83 83 THR H H 8.395 0.020 1 864 83 83 THR HA H 4.642 0.020 1 865 83 83 THR HB H 4.087 0.020 1 866 83 83 THR HG2 H 0.982 0.020 1 867 83 83 THR C C 173.633 0.3 1 868 83 83 THR CA C 60.166 0.3 1 869 83 83 THR CB C 70.159 0.3 1 870 83 83 THR CG2 C 22.176 0.3 1 871 83 83 THR N N 117.194 0.3 1 872 84 84 HIS H H 7.616 0.020 1 873 84 84 HIS HA H 5.669 0.020 1 874 84 84 HIS HB2 H 2.792 0.020 2 875 84 84 HIS HB3 H 2.977 0.020 2 876 84 84 HIS HD2 H 5.961 0.020 1 877 84 84 HIS HE1 H 7.900 0.020 1 878 84 84 HIS C C 175.069 0.3 1 879 84 84 HIS CA C 55.826 0.3 1 880 84 84 HIS CB C 34.658 0.3 1 881 84 84 HIS CD2 C 120.327 0.3 1 882 84 84 HIS CE1 C 138.044 0.3 1 883 84 84 HIS N N 116.791 0.3 1 884 85 85 THR H H 8.777 0.020 1 885 85 85 THR HA H 4.487 0.020 1 886 85 85 THR HB H 4.063 0.020 1 887 85 85 THR HG1 H 6.542 0.020 1 888 85 85 THR HG2 H 1.233 0.020 1 889 85 85 THR C C 171.936 0.3 1 890 85 85 THR CA C 58.773 0.3 1 891 85 85 THR CB C 70.342 0.3 1 892 85 85 THR CG2 C 19.760 0.3 1 893 85 85 THR N N 114.317 0.3 1 894 86 86 PHE H H 7.669 0.020 1 895 86 86 PHE HA H 5.912 0.020 1 896 86 86 PHE HB2 H 2.909 0.020 2 897 86 86 PHE HB3 H 2.440 0.020 2 898 86 86 PHE HD1 H 6.012 0.020 1 899 86 86 PHE HE1 H 6.880 0.020 1 900 86 86 PHE HZ H 7.310 0.020 1 901 86 86 PHE C C 175.201 0.3 1 902 86 86 PHE CA C 56.300 0.3 1 903 86 86 PHE CB C 43.384 0.3 1 904 86 86 PHE CD1 C 131.546 0.3 1 905 86 86 PHE CE1 C 130.014 0.3 1 906 86 86 PHE CZ C 131.074 0.3 1 907 86 86 PHE N N 118.129 0.3 1 908 87 87 VAL H H 9.317 0.020 1 909 87 87 VAL HA H 5.131 0.020 1 910 87 87 VAL HB H 2.515 0.020 1 911 87 87 VAL HG1 H 1.464 0.020 2 912 87 87 VAL HG2 H 1.274 0.020 2 913 87 87 VAL C C 174.504 0.3 1 914 87 87 VAL CA C 59.853 0.3 1 915 87 87 VAL CB C 36.047 0.3 1 916 87 87 VAL CG1 C 22.593 0.3 1 917 87 87 VAL CG2 C 21.132 0.3 1 918 87 87 VAL N N 117.623 0.3 1 919 88 88 LYS H H 9.110 0.020 1 920 88 88 LYS HA H 4.280 0.020 1 921 88 88 LYS HB3 H 1.425 0.020 1 922 88 88 LYS HG3 H 1.395 0.020 1 923 88 88 LYS HD3 H 1.660 0.020 1 924 88 88 LYS HE3 H 2.938 0.020 1 925 88 88 LYS C C 174.170 0.3 1 926 88 88 LYS CA C 56.900 0.3 1 927 88 88 LYS CB C 32.919 0.3 1 928 88 88 LYS CG C 23.632 0.3 1 929 88 88 LYS CD C 28.979 0.3 1 930 88 88 LYS CE C 41.905 0.3 1 931 88 88 LYS N N 127.686 0.3 1 932 89 89 ALA H H 8.310 0.020 1 933 89 89 ALA HA H 4.288 0.020 1 934 89 89 ALA HB H 1.257 0.020 1 935 89 89 ALA C C 177.281 0.3 1 936 89 89 ALA CA C 52.372 0.3 1 937 89 89 ALA CB C 19.236 0.3 1 938 89 89 ALA N N 126.160 0.3 1 939 90 90 LEU H H 8.211 0.020 1 940 90 90 LEU HA H 4.792 0.020 1 941 90 90 LEU HB2 H 1.683 0.020 2 942 90 90 LEU HB3 H 1.918 0.020 2 943 90 90 LEU HG H 1.075 0.020 1 944 90 90 LEU HD1 H 0.651 0.020 2 945 90 90 LEU HD2 H 0.066 0.020 2 946 90 90 LEU C C 177.111 0.3 1 947 90 90 LEU CA C 54.354 0.3 1 948 90 90 LEU CB C 41.495 0.3 1 949 90 90 LEU CG C 27.341 0.3 1 950 90 90 LEU CD1 C 26.736 0.3 1 951 90 90 LEU CD2 C 21.123 0.3 1 952 90 90 LEU N N 123.079 0.3 1 953 91 91 THR H H 8.459 0.020 1 954 91 91 THR HA H 5.403 0.020 1 955 91 91 THR HB H 4.114 0.020 1 956 91 91 THR HG2 H 1.013 0.020 1 957 91 91 THR CA C 59.399 0.3 1 958 91 91 THR CB C 75.396 0.3 1 959 91 91 THR CG2 C 21.754 0.3 1 960 92 92 THR H H 9.071 0.020 1 961 92 92 THR HA H 4.938 0.020 1 962 92 92 THR HB H 3.901 0.020 1 963 92 92 THR HG2 H 1.049 0.020 1 964 92 92 THR C C 172.258 0.3 1 965 92 92 THR CA C 60.987 0.3 1 966 92 92 THR CB C 70.643 0.3 1 967 92 92 THR CG2 C 21.321 0.3 1 968 92 92 THR N N 111.790 0.3 1 969 93 93 ASP H H 7.658 0.020 1 970 93 93 ASP HA H 5.017 0.020 1 971 93 93 ASP HB3 H 2.510 0.020 1 972 93 93 ASP C C 176.260 0.3 1 973 93 93 ASP CA C 53.069 0.3 1 974 93 93 ASP CB C 41.716 0.3 1 975 93 93 ASP N N 125.210 0.3 1 976 94 94 GLU H H 8.997 0.020 1 977 94 94 GLU HA H 3.986 0.020 1 978 94 94 GLU HB3 H 2.154 0.020 1 979 94 94 GLU HG2 H 2.222 0.020 2 980 94 94 GLU HG3 H 2.323 0.020 2 981 94 94 GLU C C 175.926 0.3 1 982 94 94 GLU CA C 58.721 0.3 1 983 94 94 GLU CB C 28.221 0.3 1 984 94 94 GLU CG C 36.347 0.3 1 985 94 94 GLU N N 119.292 0.3 1 986 95 95 LYS H H 8.468 0.020 1 987 95 95 LYS HA H 4.268 0.020 1 988 95 95 LYS HB2 H 1.718 0.020 2 989 95 95 LYS HB3 H 1.911 0.020 2 990 95 95 LYS HG3 H 1.356 0.020 1 991 95 95 LYS HD3 H 1.667 0.020 1 992 95 95 LYS HE2 H 2.940 0.020 2 993 95 95 LYS HE3 H 2.864 0.020 2 994 95 95 LYS C C 176.814 0.3 1 995 95 95 LYS CA C 57.578 0.3 1 996 95 95 LYS CB C 33.468 0.3 1 997 95 95 LYS CG C 24.783 0.3 1 998 95 95 LYS CD C 28.991 0.3 1 999 95 95 LYS CE C 42.035 0.3 1 1000 95 95 LYS N N 117.081 0.3 1 1001 96 96 GLN H H 8.633 0.020 1 1002 96 96 GLN HA H 4.609 0.020 1 1003 96 96 GLN HB2 H 2.064 0.020 2 1004 96 96 GLN HB3 H 2.014 0.020 2 1005 96 96 GLN HG3 H 2.268 0.020 1 1006 96 96 GLN HE21 H 7.558 0.020 1 1007 96 96 GLN HE22 H 6.850 0.020 1 1008 96 96 GLN C C 175.045 0.3 1 1009 96 96 GLN CA C 55.211 0.3 1 1010 96 96 GLN CB C 31.005 0.3 1 1011 96 96 GLN CG C 33.315 0.3 1 1012 96 96 GLN N N 118.660 0.3 1 1013 96 96 GLN NE2 N 112.169 0.3 1 1014 97 97 ALA H H 8.751 0.020 1 1015 97 97 ALA HA H 4.574 0.020 1 1016 97 97 ALA HB H 1.259 0.020 1 1017 97 97 ALA C C 177.134 0.3 1 1018 97 97 ALA CA C 51.268 0.3 1 1019 97 97 ALA CB C 18.723 0.3 1 1020 97 97 ALA N N 130.225 0.3 1 1021 98 98 ALA H H 9.053 0.020 1 1022 98 98 ALA HA H 5.199 0.020 1 1023 98 98 ALA HB H 1.269 0.020 1 1024 98 98 ALA C C 177.198 0.3 1 1025 98 98 ALA CA C 51.548 0.3 1 1026 98 98 ALA CB C 22.091 0.3 1 1027 98 98 ALA N N 123.339 0.3 1 1028 99 99 TRP H H 8.301 0.020 1 1029 99 99 TRP HA H 4.673 0.020 1 1030 99 99 TRP HB2 H 3.054 0.020 2 1031 99 99 TRP HB3 H 2.965 0.020 2 1032 99 99 TRP HD1 H 7.109 0.020 1 1033 99 99 TRP HE1 H 10.140 0.020 1 1034 99 99 TRP HE3 H 7.200 0.020 1 1035 99 99 TRP HZ2 H 7.144 0.020 1 1036 99 99 TRP HZ3 H 6.794 0.020 1 1037 99 99 TRP HH2 H 7.564 0.020 1 1038 99 99 TRP C C 176.862 0.3 1 1039 99 99 TRP CA C 57.729 0.3 1 1040 99 99 TRP CB C 30.654 0.3 1 1041 99 99 TRP CD1 C 127.555 0.3 1 1042 99 99 TRP CE3 C 124.700 0.3 1 1043 99 99 TRP CZ2 C 113.945 0.3 1 1044 99 99 TRP CZ3 C 124.721 0.3 1 1045 99 99 TRP CH2 C 120.950 0.3 1 1046 99 99 TRP N N 117.414 0.3 1 1047 99 99 TRP NE1 N 129.602 0.3 1 1048 100 100 ARG H H 7.806 0.020 1 1049 100 100 ARG HA H 4.090 0.020 1 1050 100 100 ARG HB2 H 1.743 0.020 2 1051 100 100 ARG HB3 H 1.556 0.020 2 1052 100 100 ARG HG2 H 1.498 0.020 2 1053 100 100 ARG HG3 H 1.410 0.020 2 1054 100 100 ARG HD2 H 2.880 0.020 2 1055 100 100 ARG HD3 H 2.748 0.020 2 1056 100 100 ARG C C 175.528 0.3 1 1057 100 100 ARG CA C 56.884 0.3 1 1058 100 100 ARG CB C 30.726 0.3 1 1059 100 100 ARG CG C 27.090 0.3 1 1060 100 100 ARG CD C 42.828 0.3 1 1061 100 100 ARG N N 124.895 0.3 1 1062 101 101 PHE H H 9.245 0.020 1 1063 101 101 PHE HA H 4.919 0.020 1 1064 101 101 PHE HB2 H 2.815 0.020 2 1065 101 101 PHE HB3 H 2.886 0.020 2 1066 101 101 PHE HD1 H 7.214 0.020 1 1067 101 101 PHE HE1 H 7.308 0.020 1 1068 101 101 PHE HZ H 7.163 0.020 1 1069 101 101 PHE C C 175.719 0.3 1 1070 101 101 PHE CA C 59.780 0.3 1 1071 101 101 PHE CB C 40.527 0.3 1 1072 101 101 PHE CD1 C 131.732 0.3 1 1073 101 101 PHE CE1 C 131.445 0.3 1 1074 101 101 PHE CZ C 130.117 0.3 1 1075 101 101 PHE N N 120.553 0.3 1 1076 102 102 ILE H H 9.416 0.020 1 1077 102 102 ILE HA H 5.167 0.020 1 1078 102 102 ILE HB H 1.597 0.020 1 1079 102 102 ILE HG12 H 1.169 0.020 2 1080 102 102 ILE HG13 H 1.374 0.020 2 1081 102 102 ILE HG2 H 0.586 0.020 1 1082 102 102 ILE HD1 H 0.094 0.020 1 1083 102 102 ILE C C 174.660 0.3 1 1084 102 102 ILE CA C 59.058 0.3 1 1085 102 102 ILE CB C 41.631 0.3 1 1086 102 102 ILE CG1 C 24.758 0.3 1 1087 102 102 ILE CG2 C 17.832 0.3 1 1088 102 102 ILE CD1 C 14.123 0.3 1 1089 102 102 ILE N N 116.472 0.3 1 1090 103 103 ARG H H 8.474 0.020 1 1091 103 103 ARG HA H 4.554 0.020 1 1092 103 103 ARG HB2 H 1.456 0.020 2 1093 103 103 ARG HB3 H 1.744 0.020 2 1094 103 103 ARG HG2 H 1.370 0.020 2 1095 103 103 ARG HG3 H 1.566 0.020 2 1096 103 103 ARG HD2 H 2.701 0.020 2 1097 103 103 ARG HD3 H 2.753 0.020 2 1098 103 103 ARG C C 174.341 0.3 1 1099 103 103 ARG CA C 55.736 0.3 1 1100 103 103 ARG CB C 31.681 0.3 1 1101 103 103 ARG CG C 27.286 0.3 1 1102 103 103 ARG CD C 42.800 0.3 1 1103 103 103 ARG N N 122.176 0.3 1 1104 104 104 ILE H H 8.298 0.020 1 1105 104 104 ILE HA H 4.546 0.020 1 1106 104 104 ILE HB H 1.842 0.020 1 1107 104 104 ILE HG12 H 1.333 0.020 2 1108 104 104 ILE HG13 H 1.226 0.020 2 1109 104 104 ILE HG2 H 0.859 0.020 1 1110 104 104 ILE HD1 H 0.653 0.020 1 1111 104 104 ILE C C 175.044 0.3 1 1112 104 104 ILE CA C 58.071 0.3 1 1113 104 104 ILE CB C 41.122 0.3 1 1114 104 104 ILE CG1 C 26.763 0.3 1 1115 104 104 ILE CG2 C 17.703 0.3 1 1116 104 104 ILE CD1 C 11.887 0.3 1 1117 104 104 ILE N N 122.791 0.3 1 1118 105 105 ASP H H 8.886 0.020 1 1119 105 105 ASP HA H 4.767 0.020 1 1120 105 105 ASP HB2 H 2.435 0.020 2 1121 105 105 ASP HB3 H 2.878 0.020 2 1122 105 105 ASP C C 176.957 0.3 1 1123 105 105 ASP CA C 56.129 0.3 1 1124 105 105 ASP CB C 41.293 0.3 1 1125 105 105 ASP N N 128.660 0.3 1 1126 106 106 THR H H 9.214 0.020 1 1127 106 106 THR HA H 5.109 0.020 1 1128 106 106 THR HB H 3.959 0.020 1 1129 106 106 THR HG2 H 0.978 0.020 1 1130 106 106 THR C C 173.147 0.3 1 1131 106 106 THR CA C 60.768 0.3 1 1132 106 106 THR CB C 73.953 0.3 1 1133 106 106 THR CG2 C 21.421 0.3 1 1134 106 106 THR N N 115.844 0.3 1 1135 107 107 ALA H H 7.486 0.020 1 1136 107 107 ALA HA H 4.007 0.020 1 1137 107 107 ALA HB H 0.971 0.020 1 1138 107 107 ALA C C 173.476 0.3 1 1139 107 107 ALA CA C 51.909 0.3 1 1140 107 107 ALA CB C 22.056 0.3 1 1141 107 107 ALA N N 121.885 0.3 1 1142 108 108 CYS H H 8.448 0.020 1 1143 108 108 CYS HA H 5.110 0.020 1 1144 108 108 CYS HB2 H 2.870 0.020 2 1145 108 108 CYS HB3 H 3.180 0.020 2 1146 108 108 CYS C C 173.463 0.3 1 1147 108 108 CYS CA C 55.019 0.3 1 1148 108 108 CYS CB C 41.084 0.3 1 1149 108 108 CYS N N 119.610 0.3 1 1150 109 109 VAL H H 9.358 0.020 1 1151 109 109 VAL HA H 4.496 0.020 1 1152 109 109 VAL HB H 2.242 0.020 1 1153 109 109 VAL HG1 H 0.717 0.020 2 1154 109 109 VAL HG2 H 1.020 0.020 2 1155 109 109 VAL C C 172.894 0.3 1 1156 109 109 VAL CA C 59.236 0.3 1 1157 109 109 VAL CB C 35.228 0.3 1 1158 109 109 VAL CG1 C 21.476 0.3 1 1159 109 109 VAL CG2 C 19.515 0.3 1 1160 109 109 VAL N N 120.845 0.3 1 1161 110 110 CYS H H 7.536 0.020 1 1162 110 110 CYS HA H 4.930 0.020 1 1163 110 110 CYS HB2 H 2.883 0.020 2 1164 110 110 CYS HB3 H 2.973 0.020 2 1165 110 110 CYS C C 173.791 0.3 1 1166 110 110 CYS CA C 56.258 0.3 1 1167 110 110 CYS CB C 42.223 0.3 1 1168 110 110 CYS N N 119.289 0.3 1 1169 111 111 VAL H H 8.994 0.020 1 1170 111 111 VAL HA H 4.209 0.020 1 1171 111 111 VAL HB H 1.116 0.020 1 1172 111 111 VAL HG1 H 0.440 0.020 2 1173 111 111 VAL HG2 H 0.713 0.020 2 1174 111 111 VAL C C 175.899 0.3 1 1175 111 111 VAL CA C 61.467 0.3 1 1176 111 111 VAL CB C 33.550 0.3 1 1177 111 111 VAL CG1 C 20.871 0.3 1 1178 111 111 VAL CG2 C 21.764 0.3 1 1179 111 111 VAL N N 131.783 0.3 1 1180 112 112 LEU H H 8.411 0.020 1 1181 112 112 LEU HA H 5.191 0.020 1 1182 112 112 LEU HB2 H 1.220 0.020 2 1183 112 112 LEU HB3 H 1.343 0.020 2 1184 112 112 LEU HG H 1.050 0.020 1 1185 112 112 LEU HD1 H -0.409 0.020 2 1186 112 112 LEU HD2 H 0.320 0.020 2 1187 112 112 LEU C C 177.433 0.3 1 1188 112 112 LEU CA C 53.353 0.3 1 1189 112 112 LEU CB C 46.753 0.3 1 1190 112 112 LEU CG C 26.469 0.3 1 1191 112 112 LEU CD1 C 24.422 0.3 1 1192 112 112 LEU CD2 C 23.393 0.3 1 1193 112 112 LEU N N 121.655 0.3 1 1194 113 113 SER H H 8.607 0.020 1 1195 113 113 SER HA H 4.990 0.020 1 1196 113 113 SER HB3 H 3.921 0.020 1 1197 113 113 SER C C 175.695 0.3 1 1198 113 113 SER CA C 57.776 0.3 1 1199 113 113 SER CB C 65.801 0.3 1 1200 113 113 SER N N 111.489 0.3 1 1201 114 114 ARG H H 9.306 0.020 1 1202 114 114 ARG HA H 4.118 0.020 1 1203 114 114 ARG HB3 H 1.456 0.020 1 1204 114 114 ARG HG3 H 1.087 0.020 1 1205 114 114 ARG HD2 H 2.499 0.020 2 1206 114 114 ARG HD3 H 2.450 0.020 2 1207 114 114 ARG CA C 57.824 0.3 1 1208 114 114 ARG CB C 31.569 0.3 1 1209 114 114 ARG CG C 27.326 0.3 1 1210 114 114 ARG CD C 43.600 0.3 1 1211 114 114 ARG N N 126.216 0.3 1 1212 115 115 LYS H H 7.680 0.020 1 1213 115 115 LYS HA H 4.290 0.020 1 1214 115 115 LYS HB2 H 1.330 0.020 2 1215 115 115 LYS HB3 H 1.603 0.020 2 1216 115 115 LYS HG3 H 1.231 0.020 1 1217 115 115 LYS HD2 H 1.451 0.020 2 1218 115 115 LYS HD3 H 1.590 0.020 2 1219 115 115 LYS HE3 H 2.869 0.020 1 1220 115 115 LYS C C 176.029 0.3 1 1221 115 115 LYS CA C 56.844 0.3 1 1222 115 115 LYS CB C 33.530 0.3 1 1223 115 115 LYS CG C 25.870 0.3 1 1224 115 115 LYS CD C 29.296 0.3 1 1225 115 115 LYS CE C 42.200 0.3 1 1226 115 115 LYS N N 122.407 0.3 1 1227 116 116 ALA H H 8.391 0.020 1 1228 116 116 ALA HA H 4.385 0.020 1 1229 116 116 ALA HB H 1.378 0.020 1 1230 116 116 ALA C C 177.581 0.3 1 1231 116 116 ALA CA C 52.238 0.3 1 1232 116 116 ALA CB C 19.434 0.3 1 1233 116 116 ALA N N 126.173 0.3 1 1234 117 117 THR H H 8.117 0.020 1 1235 117 117 THR HA H 4.295 0.020 1 1236 117 117 THR HB H 4.232 0.020 1 1237 117 117 THR HG2 H 1.171 0.020 1 1238 117 117 THR C C 173.656 0.3 1 1239 117 117 THR CA C 61.762 0.3 1 1240 117 117 THR CB C 70.056 0.3 1 1241 117 117 THR CG2 C 21.700 0.3 1 1242 117 117 THR N N 114.276 0.3 1 1243 118 118 ARG H H 7.906 0.020 1 1244 118 118 ARG HA H 4.175 0.020 1 1245 118 118 ARG HB2 H 1.821 0.020 2 1246 118 118 ARG HB3 H 1.715 0.020 2 1247 118 118 ARG HG3 H 1.571 0.020 1 1248 118 118 ARG HD3 H 3.175 0.020 1 1249 118 118 ARG C C 180.755 0.3 1 1250 118 118 ARG CA C 57.526 0.3 1 1251 118 118 ARG CB C 31.582 0.3 1 1252 118 118 ARG CG C 27.055 0.3 1 1253 118 118 ARG CD C 43.537 0.3 1 1254 118 118 ARG N N 127.726 0.3 1 stop_ save_