data_11247 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the FHA domain of human ubiquitin ligase protein RNF8 ; _BMRB_accession_number 11247 _BMRB_flat_file_name bmr11247.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _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 Hayashi F. . . 2 Nagashima T. . . 3 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 823 "13C chemical shifts" 608 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the FHA domain of human ubiquitin ligase protein RNF8' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hayashi F. . . 2 Nagashima T. . . 3 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ubiquitin ligase protein RNF8' _Enzyme_commission_number E.C.6.3.2.- loop_ _Mol_system_component_name _Mol_label 'FHA domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'FHA domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GSSGSSGVTGDRAGGRSWCL RRVGMSAGWLLLEDGCEVTV GRGFGVTYQLVSKICPLMIS RNHCVLKQNPEGQWTIMDNK SLNGVWLNRARLEPLRVYSI HQGDYIQLGVPLENKENAEY EYEVTEEDWETIYPCLSPKS GPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 THR 10 GLY 11 ASP 12 ARG 13 ALA 14 GLY 15 GLY 16 ARG 17 SER 18 TRP 19 CYS 20 LEU 21 ARG 22 ARG 23 VAL 24 GLY 25 MET 26 SER 27 ALA 28 GLY 29 TRP 30 LEU 31 LEU 32 LEU 33 GLU 34 ASP 35 GLY 36 CYS 37 GLU 38 VAL 39 THR 40 VAL 41 GLY 42 ARG 43 GLY 44 PHE 45 GLY 46 VAL 47 THR 48 TYR 49 GLN 50 LEU 51 VAL 52 SER 53 LYS 54 ILE 55 CYS 56 PRO 57 LEU 58 MET 59 ILE 60 SER 61 ARG 62 ASN 63 HIS 64 CYS 65 VAL 66 LEU 67 LYS 68 GLN 69 ASN 70 PRO 71 GLU 72 GLY 73 GLN 74 TRP 75 THR 76 ILE 77 MET 78 ASP 79 ASN 80 LYS 81 SER 82 LEU 83 ASN 84 GLY 85 VAL 86 TRP 87 LEU 88 ASN 89 ARG 90 ALA 91 ARG 92 LEU 93 GLU 94 PRO 95 LEU 96 ARG 97 VAL 98 TYR 99 SER 100 ILE 101 HIS 102 GLN 103 GLY 104 ASP 105 TYR 106 ILE 107 GLN 108 LEU 109 GLY 110 VAL 111 PRO 112 LEU 113 GLU 114 ASN 115 LYS 116 GLU 117 ASN 118 ALA 119 GLU 120 TYR 121 GLU 122 TYR 123 GLU 124 VAL 125 THR 126 GLU 127 GLU 128 ASP 129 TRP 130 GLU 131 THR 132 ILE 133 TYR 134 PRO 135 CYS 136 LEU 137 SER 138 PRO 139 LYS 140 SER 141 GLY 142 PRO 143 SER 144 SER 145 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2CSW "Solution Structure Of The Fha Domain Of Human Ubiquitin Ligase Protein Rnf8" 100.00 145 100.00 100.00 1.51e-100 PDB 2PIE "Crystal Structure Of The Fha Domain Of Rnf8 In Complex With Its Optimal Phosphopeptide" 88.28 138 99.22 100.00 2.90e-88 DBJ BAA31621 "KIAA0646 protein [Homo sapiens]" 91.72 486 99.25 100.00 3.18e-92 DBJ BAA33557 "new zinc finger protein [Homo sapiens]" 91.72 485 99.25 100.00 3.13e-92 DBJ BAD96485 "ring finger protein 8 isoform 1 variant [Homo sapiens]" 91.72 485 99.25 100.00 3.60e-92 DBJ BAE87261 "unnamed protein product [Macaca fascicularis]" 91.72 486 97.74 98.50 1.48e-89 DBJ BAG09793 "E3 ubiquitin-protein ligase RNF8 [synthetic construct]" 91.72 485 99.25 100.00 3.13e-92 EMBL CAH93334 "hypothetical protein [Pongo abelii]" 91.72 486 98.50 99.25 3.16e-91 GB AAH07517 "Ring finger protein 8 [Homo sapiens]" 91.72 485 99.25 100.00 3.13e-92 GB AAP36114 "ring finger protein (C3HC4 type) 8 [Homo sapiens]" 91.72 485 99.25 100.00 3.13e-92 GB AAP36421 "Homo sapiens ring finger protein (C3HC4 type) 8 [synthetic construct]" 91.72 486 99.25 100.00 3.55e-92 GB AAQ14887 "UBC13/UEV-interacting ring finger protein [Homo sapiens]" 91.72 485 99.25 100.00 3.13e-92 GB AAX29228 "ring finger protein 8, partial [synthetic construct]" 91.72 486 99.25 100.00 3.55e-92 REF NP_001126963 "E3 ubiquitin-protein ligase RNF8 [Pongo abelii]" 91.72 486 98.50 99.25 3.16e-91 REF NP_001252758 "ring finger protein 8, E3 ubiquitin protein ligase [Macaca mulatta]" 91.72 486 97.74 98.50 1.45e-89 REF NP_001267209 "E3 ubiquitin-protein ligase RNF8 [Pan troglodytes]" 91.72 485 98.50 99.25 3.69e-91 REF NP_001274572 "ring finger protein 8, E3 ubiquitin protein ligase [Macaca fascicularis]" 91.72 486 97.74 98.50 1.48e-89 REF NP_003949 "E3 ubiquitin-protein ligase RNF8 isoform 1 [Homo sapiens]" 91.72 485 99.25 100.00 3.13e-92 SP O76064 "RecName: Full=E3 ubiquitin-protein ligase RNF8; Short=hRNF8; AltName: Full=RING finger protein 8" 91.72 485 99.25 100.00 3.13e-92 SP Q5R4I2 "RecName: Full=E3 ubiquitin-protein ligase RNF8; AltName: Full=RING finger protein 8" 91.72 486 98.50 99.25 3.16e-91 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P040322-86 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.1mM 13C,15N-labeled {protein;} 20mM {d-TrisHCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.1 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9297 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'FHA domain' _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 7 7 GLY HA2 H 3.989 0.030 1 2 7 7 GLY HA3 H 3.989 0.030 1 3 7 7 GLY C C 174.144 0.300 1 4 7 7 GLY CA C 45.392 0.300 1 5 8 8 VAL H H 8.056 0.030 1 6 8 8 VAL HA H 4.214 0.030 1 7 8 8 VAL HB H 2.109 0.030 1 8 8 8 VAL HG1 H 0.926 0.030 1 9 8 8 VAL HG2 H 0.924 0.030 1 10 8 8 VAL C C 176.558 0.300 1 11 8 8 VAL CA C 62.367 0.300 1 12 8 8 VAL CB C 32.760 0.300 1 13 8 8 VAL CG1 C 21.273 0.300 2 14 8 8 VAL CG2 C 20.457 0.300 2 15 8 8 VAL N N 119.238 0.300 1 16 9 9 THR H H 8.232 0.030 1 17 9 9 THR HA H 4.354 0.030 1 18 9 9 THR HB H 4.229 0.030 1 19 9 9 THR HG2 H 1.194 0.030 1 20 9 9 THR C C 175.065 0.300 1 21 9 9 THR CA C 62.001 0.300 1 22 9 9 THR CB C 69.891 0.300 1 23 9 9 THR CG2 C 21.676 0.300 1 24 9 9 THR N N 117.273 0.300 1 25 10 10 GLY H H 8.349 0.030 1 26 10 10 GLY HA2 H 3.942 0.030 1 27 10 10 GLY HA3 H 3.942 0.030 1 28 10 10 GLY C C 173.899 0.300 1 29 10 10 GLY CA C 45.388 0.300 1 30 10 10 GLY N N 111.054 0.300 1 31 11 11 ASP H H 8.251 0.030 1 32 11 11 ASP HA H 4.523 0.030 1 33 11 11 ASP HB2 H 2.652 0.030 2 34 11 11 ASP HB3 H 2.613 0.030 2 35 11 11 ASP C C 176.282 0.300 1 36 11 11 ASP CA C 54.562 0.300 1 37 11 11 ASP CB C 41.180 0.300 1 38 11 11 ASP N N 120.594 0.300 1 39 12 12 ARG H H 8.138 0.030 1 40 12 12 ARG HA H 4.222 0.030 1 41 12 12 ARG HB2 H 1.706 0.030 2 42 12 12 ARG HB3 H 1.553 0.030 2 43 12 12 ARG HD2 H 2.974 0.030 1 44 12 12 ARG HD3 H 2.974 0.030 1 45 12 12 ARG HE H 7.176 0.030 1 46 12 12 ARG HG2 H 1.486 0.030 2 47 12 12 ARG HG3 H 1.456 0.030 2 48 12 12 ARG C C 175.886 0.300 1 49 12 12 ARG CA C 55.905 0.300 1 50 12 12 ARG CB C 30.605 0.300 1 51 12 12 ARG CD C 43.259 0.300 1 52 12 12 ARG CG C 26.894 0.300 1 53 12 12 ARG N N 120.905 0.300 1 54 12 12 ARG NE N 83.108 0.300 1 55 13 13 ALA H H 8.182 0.030 1 56 13 13 ALA HA H 4.231 0.030 1 57 13 13 ALA HB H 1.333 0.030 1 58 13 13 ALA C C 178.110 0.300 1 59 13 13 ALA CA C 52.751 0.300 1 60 13 13 ALA CB C 19.132 0.300 1 61 13 13 ALA N N 124.865 0.300 1 62 14 14 GLY H H 8.282 0.030 1 63 14 14 GLY HA2 H 3.893 0.030 1 64 14 14 GLY HA3 H 3.893 0.030 1 65 14 14 GLY C C 174.457 0.300 1 66 14 14 GLY CA C 45.359 0.300 1 67 14 14 GLY N N 108.538 0.300 1 68 15 15 GLY H H 8.290 0.030 1 69 15 15 GLY HA2 H 4.120 0.030 2 70 15 15 GLY HA3 H 4.015 0.030 2 71 15 15 GLY C C 173.670 0.300 1 72 15 15 GLY CA C 45.204 0.300 1 73 15 15 GLY N N 108.522 0.300 1 74 16 16 ARG H H 8.316 0.030 1 75 16 16 ARG HA H 4.999 0.030 1 76 16 16 ARG HB2 H 1.583 0.030 1 77 16 16 ARG HB3 H 1.583 0.030 1 78 16 16 ARG HD2 H 3.179 0.030 2 79 16 16 ARG HD3 H 2.976 0.030 2 80 16 16 ARG HE H 7.173 0.030 1 81 16 16 ARG HG2 H 1.599 0.030 2 82 16 16 ARG HG3 H 1.547 0.030 2 83 16 16 ARG C C 176.255 0.300 1 84 16 16 ARG CA C 55.546 0.300 1 85 16 16 ARG CB C 33.212 0.300 1 86 16 16 ARG CD C 43.423 0.300 1 87 16 16 ARG CG C 27.575 0.300 1 88 16 16 ARG N N 120.516 0.300 1 89 17 17 SER H H 8.752 0.030 1 90 17 17 SER HA H 5.006 0.030 1 91 17 17 SER HB2 H 3.648 0.030 2 92 17 17 SER HB3 H 3.555 0.030 2 93 17 17 SER C C 173.332 0.300 1 94 17 17 SER CA C 58.090 0.300 1 95 17 17 SER CB C 66.704 0.300 1 96 17 17 SER N N 114.944 0.300 1 97 18 18 TRP H H 9.036 0.030 1 98 18 18 TRP HA H 5.058 0.030 1 99 18 18 TRP HB2 H 2.997 0.030 2 100 18 18 TRP HB3 H 2.706 0.030 2 101 18 18 TRP HD1 H 7.794 0.030 1 102 18 18 TRP HE1 H 10.220 0.030 1 103 18 18 TRP HE3 H 7.128 0.030 1 104 18 18 TRP HH2 H 7.419 0.030 1 105 18 18 TRP HZ2 H 7.684 0.030 1 106 18 18 TRP HZ3 H 6.645 0.030 1 107 18 18 TRP C C 176.542 0.300 1 108 18 18 TRP CA C 58.512 0.300 1 109 18 18 TRP CB C 29.649 0.300 1 110 18 18 TRP CD1 C 127.192 0.300 1 111 18 18 TRP CE3 C 119.912 0.300 1 112 18 18 TRP CH2 C 123.977 0.300 1 113 18 18 TRP CZ2 C 115.112 0.300 1 114 18 18 TRP CZ3 C 120.386 0.300 1 115 18 18 TRP N N 125.121 0.300 1 116 18 18 TRP NE1 N 129.893 0.300 1 117 19 19 CYS H H 9.306 0.030 1 118 19 19 CYS HA H 4.882 0.030 1 119 19 19 CYS HB2 H 2.883 0.030 2 120 19 19 CYS HB3 H 2.648 0.030 2 121 19 19 CYS C C 170.699 0.300 1 122 19 19 CYS CA C 56.564 0.300 1 123 19 19 CYS CB C 30.673 0.300 1 124 19 19 CYS N N 116.565 0.300 1 125 20 20 LEU H H 8.939 0.030 1 126 20 20 LEU HA H 4.601 0.030 1 127 20 20 LEU HB2 H 1.327 0.030 2 128 20 20 LEU HB3 H 0.933 0.030 2 129 20 20 LEU HD1 H 0.328 0.030 1 130 20 20 LEU HD2 H 0.444 0.030 1 131 20 20 LEU HG H 1.244 0.030 1 132 20 20 LEU C C 174.964 0.300 1 133 20 20 LEU CA C 53.031 0.300 1 134 20 20 LEU CB C 40.666 0.300 1 135 20 20 LEU CD1 C 24.688 0.300 2 136 20 20 LEU CD2 C 25.075 0.300 2 137 20 20 LEU CG C 27.012 0.300 1 138 20 20 LEU N N 120.808 0.300 1 139 21 21 ARG H H 9.054 0.030 1 140 21 21 ARG HA H 2.825 0.030 1 141 21 21 ARG HB2 H 1.365 0.030 2 142 21 21 ARG HB3 H 0.408 0.030 2 143 21 21 ARG HD2 H 2.737 0.030 2 144 21 21 ARG HD3 H 2.500 0.030 2 145 21 21 ARG HE H 7.073 0.030 1 146 21 21 ARG HG2 H 0.347 0.030 2 147 21 21 ARG HG3 H -0.260 0.030 2 148 21 21 ARG C C 175.383 0.300 1 149 21 21 ARG CA C 54.793 0.300 1 150 21 21 ARG CB C 31.205 0.300 1 151 21 21 ARG CD C 43.983 0.300 1 152 21 21 ARG CG C 25.422 0.300 1 153 21 21 ARG N N 127.091 0.300 1 154 21 21 ARG NE N 84.067 0.300 1 155 22 22 ARG H H 5.992 0.030 1 156 22 22 ARG HA H 4.096 0.030 1 157 22 22 ARG HB2 H 2.460 0.030 2 158 22 22 ARG HB3 H 1.677 0.030 2 159 22 22 ARG HD2 H 3.086 0.030 2 160 22 22 ARG HD3 H 2.978 0.030 2 161 22 22 ARG HE H 7.841 0.030 1 162 22 22 ARG HG2 H 1.270 0.030 2 163 22 22 ARG HG3 H 2.152 0.030 2 164 22 22 ARG C C 174.974 0.300 1 165 22 22 ARG CA C 55.593 0.300 1 166 22 22 ARG CB C 30.374 0.300 1 167 22 22 ARG CD C 42.839 0.300 1 168 22 22 ARG CG C 27.112 0.300 1 169 22 22 ARG N N 130.395 0.300 1 170 22 22 ARG NE N 86.308 0.300 1 171 23 23 VAL H H 8.324 0.030 1 172 23 23 VAL HA H 3.499 0.030 1 173 23 23 VAL HB H 1.710 0.030 1 174 23 23 VAL HG1 H 0.875 0.030 1 175 23 23 VAL HG2 H 0.824 0.030 1 176 23 23 VAL C C 178.303 0.300 1 177 23 23 VAL CA C 65.305 0.300 1 178 23 23 VAL CB C 31.810 0.300 1 179 23 23 VAL CG1 C 20.673 0.300 2 180 23 23 VAL CG2 C 22.173 0.300 2 181 23 23 VAL N N 131.410 0.300 1 182 24 24 GLY H H 8.748 0.030 1 183 24 24 GLY HA2 H 4.117 0.030 2 184 24 24 GLY HA3 H 3.772 0.030 2 185 24 24 GLY C C 173.757 0.300 1 186 24 24 GLY CA C 45.526 0.300 1 187 24 24 GLY N N 114.581 0.300 1 188 25 25 MET H H 7.649 0.030 1 189 25 25 MET HA H 4.982 0.030 1 190 25 25 MET HB2 H 2.306 0.030 2 191 25 25 MET HB3 H 1.928 0.030 2 192 25 25 MET HE H 2.044 0.030 1 193 25 25 MET HG2 H 2.575 0.030 2 194 25 25 MET HG3 H 2.474 0.030 2 195 25 25 MET C C 175.697 0.300 1 196 25 25 MET CA C 55.076 0.300 1 197 25 25 MET CB C 37.604 0.300 1 198 25 25 MET CE C 17.207 0.300 1 199 25 25 MET CG C 31.688 0.300 1 200 25 25 MET N N 115.701 0.300 1 201 26 26 SER HA H 4.808 0.030 1 202 26 26 SER HB2 H 3.993 0.030 2 203 26 26 SER HB3 H 3.884 0.030 2 204 26 26 SER C C 171.752 0.300 1 205 26 26 SER CA C 56.785 0.300 1 206 26 26 SER CB C 62.312 0.300 1 207 27 27 ALA H H 7.391 0.030 1 208 27 27 ALA HA H 4.490 0.030 1 209 27 27 ALA HB H 1.310 0.030 1 210 27 27 ALA C C 176.899 0.300 1 211 27 27 ALA CA C 51.061 0.300 1 212 27 27 ALA CB C 21.934 0.300 1 213 27 27 ALA N N 120.495 0.300 1 214 28 28 GLY H H 8.382 0.030 1 215 28 28 GLY HA2 H 4.178 0.030 2 216 28 28 GLY HA3 H 3.945 0.030 2 217 28 28 GLY C C 175.708 0.300 1 218 28 28 GLY CA C 46.371 0.300 1 219 28 28 GLY N N 104.563 0.300 1 220 29 29 TRP H H 9.065 0.030 1 221 29 29 TRP HA H 5.136 0.030 1 222 29 29 TRP HB2 H 2.993 0.030 2 223 29 29 TRP HB3 H 2.632 0.030 2 224 29 29 TRP HD1 H 7.383 0.030 1 225 29 29 TRP HE1 H 10.492 0.030 1 226 29 29 TRP HE3 H 7.264 0.030 1 227 29 29 TRP HH2 H 7.069 0.030 1 228 29 29 TRP HZ2 H 7.556 0.030 1 229 29 29 TRP HZ3 H 6.671 0.030 1 230 29 29 TRP C C 175.361 0.300 1 231 29 29 TRP CA C 56.758 0.300 1 232 29 29 TRP CB C 28.605 0.300 1 233 29 29 TRP CD1 C 124.502 0.300 1 234 29 29 TRP CE3 C 120.430 0.300 1 235 29 29 TRP CH2 C 125.381 0.300 1 236 29 29 TRP CZ2 C 116.142 0.300 1 237 29 29 TRP CZ3 C 121.840 0.300 1 238 29 29 TRP N N 121.232 0.300 1 239 29 29 TRP NE1 N 127.838 0.300 1 240 30 30 LEU H H 8.766 0.030 1 241 30 30 LEU HA H 4.103 0.030 1 242 30 30 LEU HB2 H 1.275 0.030 2 243 30 30 LEU HB3 H 0.501 0.030 2 244 30 30 LEU HD1 H 0.150 0.030 1 245 30 30 LEU HD2 H -0.052 0.030 1 246 30 30 LEU HG H 1.372 0.030 1 247 30 30 LEU C C 175.587 0.300 1 248 30 30 LEU CA C 53.109 0.300 1 249 30 30 LEU CB C 41.121 0.300 1 250 30 30 LEU CD1 C 23.833 0.300 2 251 30 30 LEU CD2 C 20.705 0.300 2 252 30 30 LEU CG C 25.648 0.300 1 253 30 30 LEU N N 119.778 0.300 1 254 31 31 LEU H H 7.863 0.030 1 255 31 31 LEU HA H 4.117 0.030 1 256 31 31 LEU HB2 H 2.159 0.030 2 257 31 31 LEU HB3 H 1.607 0.030 2 258 31 31 LEU HD1 H 1.194 0.030 1 259 31 31 LEU HD2 H 1.179 0.030 1 260 31 31 LEU HG H 1.506 0.030 1 261 31 31 LEU C C 175.764 0.300 1 262 31 31 LEU CA C 55.593 0.300 1 263 31 31 LEU CB C 43.614 0.300 1 264 31 31 LEU CD1 C 26.503 0.300 2 265 31 31 LEU CD2 C 23.954 0.300 2 266 31 31 LEU CG C 27.279 0.300 1 267 31 31 LEU N N 124.960 0.300 1 268 32 32 LEU H H 7.602 0.030 1 269 32 32 LEU HA H 4.057 0.030 1 270 32 32 LEU HB2 H 0.848 0.030 2 271 32 32 LEU HB3 H -1.255 0.030 2 272 32 32 LEU HD1 H -0.011 0.030 1 273 32 32 LEU HD2 H 0.208 0.030 1 274 32 32 LEU HG H 0.904 0.030 1 275 32 32 LEU C C 173.090 0.300 1 276 32 32 LEU CA C 52.537 0.300 1 277 32 32 LEU CB C 36.610 0.300 1 278 32 32 LEU CD1 C 24.156 0.300 2 279 32 32 LEU CD2 C 22.914 0.300 2 280 32 32 LEU CG C 25.903 0.300 1 281 32 32 LEU N N 128.239 0.300 1 282 33 33 GLU H H 6.821 0.030 1 283 33 33 GLU HA H 4.255 0.030 1 284 33 33 GLU HB2 H 2.110 0.030 2 285 33 33 GLU HB3 H 1.954 0.030 2 286 33 33 GLU HG2 H 2.381 0.030 2 287 33 33 GLU HG3 H 2.320 0.030 2 288 33 33 GLU C C 175.421 0.300 1 289 33 33 GLU CA C 56.566 0.300 1 290 33 33 GLU CB C 31.098 0.300 1 291 33 33 GLU CG C 37.261 0.300 1 292 33 33 GLU N N 123.562 0.300 1 293 34 34 ASP H H 8.833 0.030 1 294 34 34 ASP HA H 4.565 0.030 1 295 34 34 ASP HB2 H 2.906 0.030 2 296 34 34 ASP HB3 H 2.729 0.030 2 297 34 34 ASP C C 177.413 0.300 1 298 34 34 ASP CA C 57.048 0.300 1 299 34 34 ASP CB C 42.215 0.300 1 300 34 34 ASP N N 124.913 0.300 1 301 35 35 GLY H H 9.267 0.030 1 302 35 35 GLY HA2 H 4.211 0.030 2 303 35 35 GLY HA3 H 3.677 0.030 2 304 35 35 GLY C C 174.829 0.300 1 305 35 35 GLY CA C 45.453 0.300 1 306 35 35 GLY N N 112.351 0.300 1 307 36 36 CYS H H 8.175 0.030 1 308 36 36 CYS HA H 4.750 0.030 1 309 36 36 CYS HB2 H 3.160 0.030 2 310 36 36 CYS HB3 H 2.957 0.030 2 311 36 36 CYS C C 173.935 0.300 1 312 36 36 CYS CA C 59.171 0.300 1 313 36 36 CYS CB C 30.316 0.300 1 314 36 36 CYS N N 117.826 0.300 1 315 37 37 GLU H H 8.712 0.030 1 316 37 37 GLU HA H 4.867 0.030 1 317 37 37 GLU HB2 H 2.016 0.030 2 318 37 37 GLU HB3 H 1.924 0.030 2 319 37 37 GLU HG2 H 2.088 0.030 2 320 37 37 GLU HG3 H 1.954 0.030 2 321 37 37 GLU C C 175.576 0.300 1 322 37 37 GLU CA C 55.657 0.300 1 323 37 37 GLU CB C 30.959 0.300 1 324 37 37 GLU CG C 37.688 0.300 1 325 37 37 GLU N N 123.942 0.300 1 326 38 38 VAL H H 9.598 0.030 1 327 38 38 VAL HA H 4.536 0.030 1 328 38 38 VAL HB H 2.316 0.030 1 329 38 38 VAL HG1 H 1.246 0.030 1 330 38 38 VAL HG2 H 1.050 0.030 1 331 38 38 VAL C C 174.899 0.300 1 332 38 38 VAL CA C 61.919 0.300 1 333 38 38 VAL CB C 33.882 0.300 1 334 38 38 VAL CG1 C 20.896 0.300 2 335 38 38 VAL CG2 C 21.342 0.300 2 336 38 38 VAL N N 129.962 0.300 1 337 39 39 THR H H 9.098 0.030 1 338 39 39 THR HA H 5.229 0.030 1 339 39 39 THR HB H 4.301 0.030 1 340 39 39 THR HG2 H 1.326 0.030 1 341 39 39 THR C C 174.069 0.300 1 342 39 39 THR CA C 59.470 0.300 1 343 39 39 THR CB C 71.470 0.300 1 344 39 39 THR CG2 C 23.433 0.300 1 345 39 39 THR N N 117.466 0.300 1 346 40 40 VAL H H 8.122 0.030 1 347 40 40 VAL HA H 5.163 0.030 1 348 40 40 VAL HB H 2.085 0.030 1 349 40 40 VAL HG1 H 0.720 0.030 1 350 40 40 VAL HG2 H 0.684 0.030 1 351 40 40 VAL C C 175.838 0.300 1 352 40 40 VAL CA C 59.954 0.300 1 353 40 40 VAL CB C 35.484 0.300 1 354 40 40 VAL CG1 C 21.912 0.300 2 355 40 40 VAL CG2 C 21.177 0.300 2 356 40 40 VAL N N 120.287 0.300 1 357 41 41 GLY H H 8.298 0.030 1 358 41 41 GLY HA2 H 4.564 0.030 2 359 41 41 GLY HA3 H 4.139 0.030 2 360 41 41 GLY C C 170.886 0.300 1 361 41 41 GLY CA C 46.148 0.300 1 362 41 41 GLY N N 111.967 0.300 1 363 42 42 ARG H H 8.713 0.030 1 364 42 42 ARG HA H 4.911 0.030 1 365 42 42 ARG HB2 H 1.961 0.030 2 366 42 42 ARG HB3 H 1.611 0.030 2 367 42 42 ARG HD2 H 3.765 0.030 2 368 42 42 ARG HD3 H 3.120 0.030 2 369 42 42 ARG HG2 H 1.411 0.030 2 370 42 42 ARG HG3 H 1.187 0.030 2 371 42 42 ARG C C 176.879 0.300 1 372 42 42 ARG CA C 55.874 0.300 1 373 42 42 ARG CB C 31.590 0.300 1 374 42 42 ARG CD C 43.983 0.300 1 375 42 42 ARG CG C 28.328 0.300 1 376 42 42 ARG N N 119.314 0.300 1 377 43 43 GLY H H 8.807 0.030 1 378 43 43 GLY HA2 H 4.187 0.030 2 379 43 43 GLY HA3 H 3.746 0.030 2 380 43 43 GLY C C 171.669 0.300 1 381 43 43 GLY CA C 44.076 0.300 1 382 43 43 GLY N N 112.214 0.300 1 383 44 44 PHE H H 8.104 0.030 1 384 44 44 PHE HA H 4.371 0.030 1 385 44 44 PHE HB2 H 3.058 0.030 2 386 44 44 PHE HB3 H 3.029 0.030 2 387 44 44 PHE HD1 H 7.306 0.030 1 388 44 44 PHE HD2 H 7.306 0.030 1 389 44 44 PHE HE1 H 7.416 0.030 1 390 44 44 PHE HE2 H 7.416 0.030 1 391 44 44 PHE HZ H 7.355 0.030 1 392 44 44 PHE C C 177.460 0.300 1 393 44 44 PHE CA C 58.883 0.300 1 394 44 44 PHE CB C 39.506 0.300 1 395 44 44 PHE CD1 C 131.832 0.300 1 396 44 44 PHE CD2 C 131.832 0.300 1 397 44 44 PHE CE1 C 131.624 0.300 3 398 44 44 PHE CE2 C 129.990 0.300 3 399 44 44 PHE CZ C 129.990 0.300 1 400 44 44 PHE N N 116.628 0.300 1 401 45 45 GLY H H 8.573 0.030 1 402 45 45 GLY HA2 H 3.954 0.030 2 403 45 45 GLY HA3 H 3.600 0.030 2 404 45 45 GLY C C 174.585 0.300 1 405 45 45 GLY CA C 45.611 0.300 1 406 45 45 GLY N N 111.940 0.300 1 407 46 46 VAL H H 6.714 0.030 1 408 46 46 VAL HA H 4.613 0.030 1 409 46 46 VAL HB H 1.912 0.030 1 410 46 46 VAL HG1 H 0.788 0.030 1 411 46 46 VAL HG2 H 0.640 0.030 1 412 46 46 VAL C C 175.581 0.300 1 413 46 46 VAL CA C 59.041 0.300 1 414 46 46 VAL CB C 32.955 0.300 1 415 46 46 VAL CG1 C 21.805 0.300 2 416 46 46 VAL CG2 C 16.828 0.300 2 417 46 46 VAL N N 110.913 0.300 1 418 47 47 THR H H 8.594 0.030 1 419 47 47 THR HA H 3.743 0.030 1 420 47 47 THR HB H 4.347 0.030 1 421 47 47 THR HG2 H 0.832 0.030 1 422 47 47 THR C C 174.764 0.300 1 423 47 47 THR CA C 67.109 0.300 1 424 47 47 THR CB C 68.617 0.300 1 425 47 47 THR CG2 C 22.811 0.300 1 426 47 47 THR N N 121.103 0.300 1 427 48 48 TYR H H 7.861 0.030 1 428 48 48 TYR HA H 4.940 0.030 1 429 48 48 TYR HB2 H 2.846 0.030 2 430 48 48 TYR HB3 H 2.527 0.030 2 431 48 48 TYR HD1 H 6.919 0.030 1 432 48 48 TYR HD2 H 6.919 0.030 1 433 48 48 TYR HE1 H 6.877 0.030 1 434 48 48 TYR HE2 H 6.877 0.030 1 435 48 48 TYR C C 172.921 0.300 1 436 48 48 TYR CA C 56.887 0.300 1 437 48 48 TYR CB C 41.017 0.300 1 438 48 48 TYR CD1 C 133.693 0.300 1 439 48 48 TYR CD2 C 133.693 0.300 1 440 48 48 TYR CE1 C 118.559 0.300 1 441 48 48 TYR CE2 C 118.559 0.300 1 442 48 48 TYR N N 115.537 0.300 1 443 49 49 GLN H H 8.444 0.030 1 444 49 49 GLN HA H 5.057 0.030 1 445 49 49 GLN HB2 H 2.020 0.030 2 446 49 49 GLN HB3 H 1.664 0.030 2 447 49 49 GLN HE21 H 6.825 0.030 2 448 49 49 GLN HE22 H 5.991 0.030 2 449 49 49 GLN HG2 H 2.158 0.030 2 450 49 49 GLN HG3 H 1.827 0.030 2 451 49 49 GLN C C 175.766 0.300 1 452 49 49 GLN CA C 53.583 0.300 1 453 49 49 GLN CB C 29.568 0.300 1 454 49 49 GLN CG C 33.898 0.300 1 455 49 49 GLN N N 123.428 0.300 1 456 49 49 GLN NE2 N 109.672 0.300 1 457 50 50 LEU H H 8.439 0.030 1 458 50 50 LEU HA H 4.420 0.030 1 459 50 50 LEU HB2 H 1.195 0.030 2 460 50 50 LEU HB3 H 0.567 0.030 2 461 50 50 LEU HD1 H 0.134 0.030 1 462 50 50 LEU HD2 H 0.540 0.030 1 463 50 50 LEU HG H 1.254 0.030 1 464 50 50 LEU C C 174.921 0.300 1 465 50 50 LEU CA C 53.514 0.300 1 466 50 50 LEU CB C 41.498 0.300 1 467 50 50 LEU CD1 C 25.709 0.300 2 468 50 50 LEU CD2 C 21.924 0.300 2 469 50 50 LEU CG C 26.384 0.300 1 470 50 50 LEU N N 130.469 0.300 1 471 51 51 VAL H H 8.128 0.030 1 472 51 51 VAL HA H 4.222 0.030 1 473 51 51 VAL HB H 2.017 0.030 1 474 51 51 VAL HG1 H 0.857 0.030 1 475 51 51 VAL HG2 H 0.835 0.030 1 476 51 51 VAL C C 174.977 0.300 1 477 51 51 VAL CA C 60.925 0.300 1 478 51 51 VAL CB C 32.598 0.300 1 479 51 51 VAL CG1 C 21.378 0.300 2 480 51 51 VAL CG2 C 20.461 0.300 2 481 51 51 VAL N N 123.550 0.300 1 482 52 52 SER H H 8.589 0.030 1 483 52 52 SER HA H 4.543 0.030 1 484 52 52 SER HB2 H 4.158 0.030 2 485 52 52 SER HB3 H 3.508 0.030 2 486 52 52 SER C C 176.679 0.300 1 487 52 52 SER CA C 57.703 0.300 1 488 52 52 SER CB C 63.721 0.300 1 489 52 52 SER N N 122.726 0.300 1 490 53 53 LYS H H 9.528 0.030 1 491 53 53 LYS HA H 4.270 0.030 1 492 53 53 LYS HB2 H 1.939 0.030 2 493 53 53 LYS HB3 H 1.717 0.030 2 494 53 53 LYS HD2 H 1.701 0.030 1 495 53 53 LYS HD3 H 1.701 0.030 1 496 53 53 LYS HE2 H 3.029 0.030 1 497 53 53 LYS HE3 H 3.029 0.030 1 498 53 53 LYS HG2 H 1.576 0.030 2 499 53 53 LYS HG3 H 1.490 0.030 2 500 53 53 LYS C C 177.082 0.300 1 501 53 53 LYS CA C 57.123 0.300 1 502 53 53 LYS CB C 32.894 0.300 1 503 53 53 LYS CD C 28.937 0.300 1 504 53 53 LYS CE C 42.149 0.300 1 505 53 53 LYS CG C 25.320 0.300 1 506 53 53 LYS N N 127.012 0.300 1 507 54 54 ILE H H 8.329 0.030 1 508 54 54 ILE HA H 4.103 0.030 1 509 54 54 ILE HB H 1.659 0.030 1 510 54 54 ILE HD1 H 0.754 0.030 1 511 54 54 ILE HG12 H 1.419 0.030 2 512 54 54 ILE HG13 H 1.093 0.030 2 513 54 54 ILE HG2 H 0.869 0.030 1 514 54 54 ILE C C 176.632 0.300 1 515 54 54 ILE CA C 62.314 0.300 1 516 54 54 ILE CB C 39.471 0.300 1 517 54 54 ILE CD1 C 12.704 0.300 1 518 54 54 ILE CG1 C 27.533 0.300 1 519 54 54 ILE CG2 C 17.933 0.300 1 520 54 54 ILE N N 119.021 0.300 1 521 55 55 CYS H H 8.329 0.030 1 522 55 55 CYS HA H 4.913 0.030 1 523 55 55 CYS HB2 H 2.944 0.030 2 524 55 55 CYS HB3 H 2.799 0.030 2 525 55 55 CYS C C 172.659 0.300 1 526 55 55 CYS CA C 56.354 0.300 1 527 55 55 CYS CB C 27.039 0.300 1 528 55 55 CYS N N 119.512 0.300 1 529 56 56 PRO HA H 4.555 0.030 1 530 56 56 PRO HB2 H 2.587 0.030 2 531 56 56 PRO HB3 H 1.989 0.030 2 532 56 56 PRO HD2 H 3.864 0.030 2 533 56 56 PRO HD3 H 3.331 0.030 2 534 56 56 PRO HG2 H 2.134 0.030 2 535 56 56 PRO HG3 H 2.033 0.030 2 536 56 56 PRO C C 177.666 0.300 1 537 56 56 PRO CA C 65.282 0.300 1 538 56 56 PRO CB C 32.253 0.300 1 539 56 56 PRO CD C 50.506 0.300 1 540 56 56 PRO CG C 27.165 0.300 1 541 57 57 LEU H H 8.222 0.030 1 542 57 57 LEU HA H 4.439 0.030 1 543 57 57 LEU HB2 H 1.713 0.030 2 544 57 57 LEU HB3 H 1.654 0.030 2 545 57 57 LEU HD1 H 0.913 0.030 1 546 57 57 LEU HD2 H 0.812 0.030 1 547 57 57 LEU HG H 1.647 0.030 1 548 57 57 LEU C C 177.647 0.300 1 549 57 57 LEU CA C 54.622 0.300 1 550 57 57 LEU CB C 40.630 0.300 1 551 57 57 LEU CD1 C 25.151 0.300 2 552 57 57 LEU CD2 C 22.024 0.300 2 553 57 57 LEU CG C 27.207 0.300 1 554 57 57 LEU N N 113.707 0.300 1 555 58 58 MET H H 7.995 0.030 1 556 58 58 MET HA H 4.453 0.030 1 557 58 58 MET HB2 H 2.543 0.030 2 558 58 58 MET HB3 H 2.369 0.030 2 559 58 58 MET HE H 2.204 0.030 1 560 58 58 MET HG2 H 3.162 0.030 2 561 58 58 MET HG3 H 2.543 0.030 2 562 58 58 MET C C 177.131 0.300 1 563 58 58 MET CA C 57.006 0.300 1 564 58 58 MET CB C 31.350 0.300 1 565 58 58 MET CE C 16.832 0.300 1 566 58 58 MET CG C 31.394 0.300 1 567 58 58 MET N N 120.041 0.300 1 568 59 59 ILE H H 7.618 0.030 1 569 59 59 ILE HA H 4.744 0.030 1 570 59 59 ILE HB H 2.057 0.030 1 571 59 59 ILE HD1 H 0.298 0.030 1 572 59 59 ILE HG12 H 1.559 0.030 2 573 59 59 ILE HG13 H 0.964 0.030 2 574 59 59 ILE HG2 H 0.987 0.030 1 575 59 59 ILE C C 176.943 0.300 1 576 59 59 ILE CA C 56.177 0.300 1 577 59 59 ILE CB C 37.181 0.300 1 578 59 59 ILE CD1 C 9.203 0.300 1 579 59 59 ILE CG1 C 26.067 0.300 1 580 59 59 ILE CG2 C 16.563 0.300 1 581 59 59 ILE N N 118.817 0.300 1 582 60 60 SER H H 11.316 0.030 1 583 60 60 SER HA H 4.643 0.030 1 584 60 60 SER HB2 H 4.328 0.030 2 585 60 60 SER HB3 H 3.516 0.030 2 586 60 60 SER C C 174.303 0.300 1 587 60 60 SER CA C 61.020 0.300 1 588 60 60 SER CB C 64.528 0.300 1 589 60 60 SER N N 126.224 0.300 1 590 61 61 ARG H H 8.805 0.030 1 591 61 61 ARG HA H 3.780 0.030 1 592 61 61 ARG HB2 H 1.865 0.030 1 593 61 61 ARG HB3 H 1.865 0.030 1 594 61 61 ARG HD2 H 3.305 0.030 1 595 61 61 ARG HD3 H 3.305 0.030 1 596 61 61 ARG HG2 H 1.826 0.030 2 597 61 61 ARG HG3 H 1.491 0.030 2 598 61 61 ARG CA C 61.443 0.300 1 599 61 61 ARG CB C 29.684 0.300 1 600 61 61 ARG CD C 43.428 0.300 1 601 61 61 ARG CG C 28.878 0.300 1 602 62 62 ASN H H 8.387 0.030 1 603 62 62 ASN HA H 4.567 0.030 1 604 62 62 ASN HB2 H 2.737 0.030 2 605 62 62 ASN HB3 H 2.488 0.030 2 606 62 62 ASN HD21 H 7.176 0.030 2 607 62 62 ASN HD22 H 6.421 0.030 2 608 62 62 ASN C C 173.617 0.300 1 609 62 62 ASN CA C 53.554 0.300 1 610 62 62 ASN CB C 38.727 0.300 1 611 62 62 ASN ND2 N 109.119 0.300 1 612 63 63 HIS H H 8.827 0.030 1 613 63 63 HIS HA H 4.100 0.030 1 614 63 63 HIS HB2 H 3.307 0.030 1 615 63 63 HIS HB3 H 3.307 0.030 1 616 63 63 HIS HD2 H 6.525 0.030 1 617 63 63 HIS HE1 H 8.012 0.030 1 618 63 63 HIS C C 175.468 0.300 1 619 63 63 HIS CA C 60.145 0.300 1 620 63 63 HIS CB C 35.240 0.300 1 621 63 63 HIS CD2 C 115.857 0.300 1 622 63 63 HIS CE1 C 138.504 0.300 1 623 63 63 HIS N N 123.917 0.300 1 624 64 64 CYS H H 8.358 0.030 1 625 64 64 CYS HA H 5.492 0.030 1 626 64 64 CYS HB2 H 3.104 0.030 2 627 64 64 CYS HB3 H 2.970 0.030 2 628 64 64 CYS C C 171.115 0.300 1 629 64 64 CYS CA C 56.052 0.300 1 630 64 64 CYS CB C 31.619 0.300 1 631 64 64 CYS N N 108.016 0.300 1 632 65 65 VAL H H 8.607 0.030 1 633 65 65 VAL HA H 5.062 0.030 1 634 65 65 VAL HB H 1.942 0.030 1 635 65 65 VAL HG1 H 0.919 0.030 1 636 65 65 VAL HG2 H 0.885 0.030 1 637 65 65 VAL C C 174.399 0.300 1 638 65 65 VAL CA C 60.566 0.300 1 639 65 65 VAL CB C 35.617 0.300 1 640 65 65 VAL CG1 C 20.463 0.300 2 641 65 65 VAL CG2 C 21.556 0.300 2 642 65 65 VAL N N 119.180 0.300 1 643 66 66 LEU H H 9.919 0.030 1 644 66 66 LEU HA H 5.833 0.030 1 645 66 66 LEU HB2 H 1.895 0.030 2 646 66 66 LEU HB3 H 1.836 0.030 2 647 66 66 LEU HD1 H 0.734 0.030 1 648 66 66 LEU HD2 H 0.843 0.030 1 649 66 66 LEU HG H 1.663 0.030 1 650 66 66 LEU C C 174.503 0.300 1 651 66 66 LEU CA C 55.370 0.300 1 652 66 66 LEU CB C 43.732 0.300 1 653 66 66 LEU CD1 C 26.000 0.300 2 654 66 66 LEU CD2 C 27.472 0.300 2 655 66 66 LEU CG C 29.310 0.300 1 656 66 66 LEU N N 130.229 0.300 1 657 67 67 LYS H H 8.101 0.030 1 658 67 67 LYS HA H 4.857 0.030 1 659 67 67 LYS HB2 H 1.710 0.030 1 660 67 67 LYS HB3 H 1.710 0.030 1 661 67 67 LYS HD2 H 1.533 0.030 1 662 67 67 LYS HD3 H 1.533 0.030 1 663 67 67 LYS HE2 H 2.842 0.030 1 664 67 67 LYS HE3 H 2.842 0.030 1 665 67 67 LYS HG2 H 1.468 0.030 2 666 67 67 LYS HG3 H 1.028 0.030 2 667 67 67 LYS C C 175.778 0.300 1 668 67 67 LYS CA C 56.011 0.300 1 669 67 67 LYS CB C 35.909 0.300 1 670 67 67 LYS CD C 29.400 0.300 1 671 67 67 LYS CE C 42.058 0.300 1 672 67 67 LYS CG C 23.608 0.300 1 673 67 67 LYS N N 119.036 0.300 1 674 68 68 GLN H H 8.782 0.030 1 675 68 68 GLN HA H 4.365 0.030 1 676 68 68 GLN HB2 H 1.252 0.030 1 677 68 68 GLN HB3 H 1.252 0.030 1 678 68 68 GLN HE21 H 7.546 0.030 2 679 68 68 GLN HE22 H 6.807 0.030 2 680 68 68 GLN HG2 H 0.278 0.030 2 681 68 68 GLN HG3 H -0.549 0.030 2 682 68 68 GLN C C 176.221 0.300 1 683 68 68 GLN CA C 54.882 0.300 1 684 68 68 GLN CB C 30.315 0.300 1 685 68 68 GLN CG C 32.486 0.300 1 686 68 68 GLN N N 126.067 0.300 1 687 68 68 GLN NE2 N 114.341 0.300 1 688 69 69 ASN H H 8.405 0.030 1 689 69 69 ASN HA H 4.632 0.030 1 690 69 69 ASN HB2 H 3.436 0.030 2 691 69 69 ASN HB3 H 2.646 0.030 2 692 69 69 ASN HD21 H 7.453 0.030 2 693 69 69 ASN HD22 H 7.096 0.030 2 694 69 69 ASN C C 175.535 0.300 1 695 69 69 ASN CA C 51.198 0.300 1 696 69 69 ASN CB C 36.982 0.300 1 697 69 69 ASN N N 121.832 0.300 1 698 69 69 ASN ND2 N 110.529 0.300 1 699 70 70 PRO HA H 4.208 0.030 1 700 70 70 PRO HB2 H 2.361 0.030 2 701 70 70 PRO HB3 H 1.782 0.030 2 702 70 70 PRO HD2 H 3.763 0.030 2 703 70 70 PRO HD3 H 3.648 0.030 2 704 70 70 PRO HG2 H 2.084 0.030 2 705 70 70 PRO HG3 H 1.867 0.030 2 706 70 70 PRO C C 177.117 0.300 1 707 70 70 PRO CA C 65.689 0.300 1 708 70 70 PRO CB C 31.537 0.300 1 709 70 70 PRO CD C 51.311 0.300 1 710 70 70 PRO CG C 28.146 0.300 1 711 71 71 GLU H H 7.422 0.030 1 712 71 71 GLU HA H 4.262 0.030 1 713 71 71 GLU HB2 H 2.176 0.030 2 714 71 71 GLU HB3 H 1.997 0.030 2 715 71 71 GLU HG2 H 2.278 0.030 2 716 71 71 GLU HG3 H 2.134 0.030 2 717 71 71 GLU C C 176.798 0.300 1 718 71 71 GLU CA C 56.660 0.300 1 719 71 71 GLU CB C 29.359 0.300 1 720 71 71 GLU CG C 37.256 0.300 1 721 71 71 GLU N N 114.011 0.300 1 722 72 72 GLY H H 8.232 0.030 1 723 72 72 GLY HA2 H 4.220 0.030 2 724 72 72 GLY HA3 H 3.354 0.030 2 725 72 72 GLY C C 173.606 0.300 1 726 72 72 GLY CA C 45.059 0.300 1 727 72 72 GLY N N 108.015 0.300 1 728 73 73 GLN H H 7.548 0.030 1 729 73 73 GLN HA H 4.161 0.030 1 730 73 73 GLN HB2 H 1.931 0.030 2 731 73 73 GLN HB3 H 1.908 0.030 2 732 73 73 GLN HE21 H 7.630 0.030 2 733 73 73 GLN HE22 H 6.458 0.030 2 734 73 73 GLN HG2 H 2.326 0.030 2 735 73 73 GLN HG3 H 2.227 0.030 2 736 73 73 GLN C C 176.161 0.300 1 737 73 73 GLN CA C 53.993 0.300 1 738 73 73 GLN CB C 29.128 0.300 1 739 73 73 GLN CG C 33.006 0.300 1 740 73 73 GLN N N 122.467 0.300 1 741 73 73 GLN NE2 N 114.676 0.300 1 742 74 74 TRP H H 8.495 0.030 1 743 74 74 TRP HA H 3.750 0.030 1 744 74 74 TRP HB2 H 2.736 0.030 2 745 74 74 TRP HB3 H 2.526 0.030 2 746 74 74 TRP HD1 H 6.071 0.030 1 747 74 74 TRP HE1 H 9.974 0.030 1 748 74 74 TRP HE3 H 7.142 0.030 1 749 74 74 TRP HH2 H 7.401 0.030 1 750 74 74 TRP HZ2 H 6.932 0.030 1 751 74 74 TRP HZ3 H 6.919 0.030 1 752 74 74 TRP C C 175.567 0.300 1 753 74 74 TRP CA C 60.754 0.300 1 754 74 74 TRP CB C 29.602 0.300 1 755 74 74 TRP CD1 C 126.332 0.300 1 756 74 74 TRP CE3 C 118.004 0.300 1 757 74 74 TRP CH2 C 125.381 0.300 1 758 74 74 TRP CZ2 C 116.574 0.300 1 759 74 74 TRP CZ3 C 121.893 0.300 1 760 74 74 TRP N N 125.861 0.300 1 761 74 74 TRP NE1 N 129.030 0.300 1 762 75 75 THR H H 7.806 0.030 1 763 75 75 THR HA H 5.458 0.030 1 764 75 75 THR HB H 4.011 0.030 1 765 75 75 THR HG2 H 1.049 0.030 1 766 75 75 THR C C 172.038 0.300 1 767 75 75 THR CA C 59.471 0.300 1 768 75 75 THR CB C 74.208 0.300 1 769 75 75 THR CG2 C 21.133 0.300 1 770 75 75 THR N N 111.488 0.300 1 771 76 76 ILE H H 9.622 0.030 1 772 76 76 ILE HA H 5.414 0.030 1 773 76 76 ILE HB H 1.503 0.030 1 774 76 76 ILE HD1 H 0.866 0.030 1 775 76 76 ILE HG12 H 1.556 0.030 2 776 76 76 ILE HG13 H 1.008 0.030 2 777 76 76 ILE HG2 H 0.843 0.030 1 778 76 76 ILE C C 171.190 0.300 1 779 76 76 ILE CA C 59.287 0.300 1 780 76 76 ILE CB C 43.874 0.300 1 781 76 76 ILE CD1 C 15.797 0.300 1 782 76 76 ILE CG1 C 30.729 0.300 1 783 76 76 ILE CG2 C 16.153 0.300 1 784 76 76 ILE N N 118.346 0.300 1 785 77 77 MET H H 8.144 0.030 1 786 77 77 MET HA H 4.841 0.030 1 787 77 77 MET HB2 H 1.970 0.030 1 788 77 77 MET HB3 H 1.970 0.030 1 789 77 77 MET HE H 1.864 0.030 1 790 77 77 MET HG2 H 2.313 0.030 2 791 77 77 MET HG3 H 2.036 0.030 2 792 77 77 MET C C 175.080 0.300 1 793 77 77 MET CA C 54.845 0.300 1 794 77 77 MET CB C 38.325 0.300 1 795 77 77 MET CE C 17.161 0.300 1 796 77 77 MET CG C 31.172 0.300 1 797 77 77 MET N N 123.582 0.300 1 798 78 78 ASP H H 10.642 0.030 1 799 78 78 ASP HA H 4.596 0.030 1 800 78 78 ASP HB2 H 2.812 0.030 2 801 78 78 ASP HB3 H 2.429 0.030 2 802 78 78 ASP C C 177.299 0.300 1 803 78 78 ASP CA C 54.344 0.300 1 804 78 78 ASP CB C 42.371 0.300 1 805 78 78 ASP N N 126.653 0.300 1 806 79 79 ASN H H 8.664 0.030 1 807 79 79 ASN HA H 5.005 0.030 1 808 79 79 ASN HB2 H 3.015 0.030 2 809 79 79 ASN HB3 H 1.899 0.030 2 810 79 79 ASN HD21 H 7.075 0.030 2 811 79 79 ASN HD22 H 6.519 0.030 2 812 79 79 ASN C C 174.135 0.300 1 813 79 79 ASN CA C 51.962 0.300 1 814 79 79 ASN CB C 36.950 0.300 1 815 79 79 ASN N N 132.811 0.300 1 816 79 79 ASN ND2 N 109.406 0.300 1 817 80 80 LYS H H 7.635 0.030 1 818 80 80 LYS HA H 3.574 0.030 1 819 80 80 LYS HB2 H 2.105 0.030 2 820 80 80 LYS HB3 H 1.672 0.030 2 821 80 80 LYS HD2 H 1.702 0.030 1 822 80 80 LYS HD3 H 1.702 0.030 1 823 80 80 LYS HE2 H 2.976 0.030 1 824 80 80 LYS HE3 H 2.976 0.030 1 825 80 80 LYS HG2 H 1.380 0.030 1 826 80 80 LYS HG3 H 1.380 0.030 1 827 80 80 LYS C C 175.433 0.300 1 828 80 80 LYS CA C 57.270 0.300 1 829 80 80 LYS CB C 30.750 0.300 1 830 80 80 LYS CD C 29.556 0.300 1 831 80 80 LYS CE C 41.974 0.300 1 832 80 80 LYS CG C 25.816 0.300 1 833 80 80 LYS N N 115.348 0.300 1 834 81 81 SER H H 8.864 0.030 1 835 81 81 SER HA H 4.043 0.030 1 836 81 81 SER HB2 H 3.512 0.030 2 837 81 81 SER HB3 H 3.074 0.030 2 838 81 81 SER C C 175.680 0.300 1 839 81 81 SER CA C 59.321 0.300 1 840 81 81 SER CB C 62.330 0.300 1 841 81 81 SER N N 116.973 0.300 1 842 82 82 LEU H H 7.314 0.030 1 843 82 82 LEU HA H 4.222 0.030 1 844 82 82 LEU HB2 H 1.896 0.030 2 845 82 82 LEU HB3 H 1.655 0.030 2 846 82 82 LEU HD1 H 0.972 0.030 1 847 82 82 LEU HD2 H 0.981 0.030 1 848 82 82 LEU HG H 1.499 0.030 1 849 82 82 LEU C C 179.159 0.300 1 850 82 82 LEU CA C 58.224 0.300 1 851 82 82 LEU CB C 42.171 0.300 1 852 82 82 LEU CD1 C 23.138 0.300 2 853 82 82 LEU CD2 C 25.879 0.300 2 854 82 82 LEU CG C 26.983 0.300 1 855 82 82 LEU N N 122.015 0.300 1 856 83 83 ASN H H 9.426 0.030 1 857 83 83 ASN HA H 5.112 0.030 1 858 83 83 ASN HB2 H 3.163 0.030 2 859 83 83 ASN HB3 H 2.888 0.030 2 860 83 83 ASN HD21 H 7.940 0.030 2 861 83 83 ASN HD22 H 7.372 0.030 2 862 83 83 ASN C C 176.087 0.300 1 863 83 83 ASN CA C 53.980 0.300 1 864 83 83 ASN CB C 41.614 0.300 1 865 83 83 ASN N N 111.941 0.300 1 866 83 83 ASN ND2 N 117.829 0.300 1 867 84 84 GLY H H 7.384 0.030 1 868 84 84 GLY HA2 H 4.058 0.030 2 869 84 84 GLY HA3 H 3.698 0.030 2 870 84 84 GLY CA C 46.032 0.300 1 871 84 84 GLY N N 106.765 0.300 1 872 85 85 VAL H H 8.394 0.030 1 873 85 85 VAL HA H 4.824 0.030 1 874 85 85 VAL HB H 1.721 0.030 1 875 85 85 VAL HG1 H 1.142 0.030 1 876 85 85 VAL HG2 H 0.889 0.030 1 877 85 85 VAL C C 172.832 0.300 1 878 85 85 VAL CA C 62.266 0.300 1 879 85 85 VAL CB C 35.546 0.300 1 880 85 85 VAL CG1 C 23.094 0.300 2 881 85 85 VAL CG2 C 22.311 0.300 2 882 85 85 VAL N N 121.977 0.300 1 883 86 86 TRP H H 9.335 0.030 1 884 86 86 TRP HA H 5.156 0.030 1 885 86 86 TRP HB2 H 3.155 0.030 2 886 86 86 TRP HB3 H 2.761 0.030 2 887 86 86 TRP HD1 H 7.007 0.030 1 888 86 86 TRP HE1 H 9.521 0.030 1 889 86 86 TRP HE3 H 7.204 0.030 1 890 86 86 TRP HH2 H 7.234 0.030 1 891 86 86 TRP HZ2 H 7.388 0.030 1 892 86 86 TRP HZ3 H 7.190 0.030 1 893 86 86 TRP CA C 55.076 0.300 1 894 86 86 TRP CB C 30.366 0.300 1 895 86 86 TRP CD1 C 127.618 0.300 1 896 86 86 TRP CE3 C 120.765 0.300 1 897 86 86 TRP CH2 C 124.755 0.300 1 898 86 86 TRP CZ2 C 114.259 0.300 1 899 86 86 TRP CZ3 C 122.572 0.300 1 900 86 86 TRP N N 128.388 0.300 1 901 86 86 TRP NE1 N 129.153 0.300 1 902 87 87 LEU H H 9.069 0.030 1 903 87 87 LEU HA H 5.329 0.030 1 904 87 87 LEU HB2 H 1.911 0.030 2 905 87 87 LEU HB3 H 0.927 0.030 2 906 87 87 LEU HD1 H 0.930 0.030 1 907 87 87 LEU HD2 H 0.883 0.030 1 908 87 87 LEU HG H 1.487 0.030 1 909 87 87 LEU C C 176.308 0.300 1 910 87 87 LEU CA C 53.003 0.300 1 911 87 87 LEU CB C 46.477 0.300 1 912 87 87 LEU CD1 C 24.466 0.300 2 913 87 87 LEU CD2 C 25.954 0.300 2 914 87 87 LEU CG C 28.237 0.300 1 915 87 87 LEU N N 127.216 0.300 1 916 88 88 ASN H H 10.464 0.030 1 917 88 88 ASN HA H 4.604 0.030 1 918 88 88 ASN HB2 H 3.015 0.030 1 919 88 88 ASN HB3 H 3.015 0.030 1 920 88 88 ASN HD21 H 7.893 0.030 2 921 88 88 ASN HD22 H 7.528 0.030 2 922 88 88 ASN C C 174.993 0.300 1 923 88 88 ASN CA C 55.189 0.300 1 924 88 88 ASN CB C 37.066 0.300 1 925 88 88 ASN N N 129.000 0.300 1 926 88 88 ASN ND2 N 116.712 0.300 1 927 89 89 ARG H H 9.551 0.030 1 928 89 89 ARG HA H 3.754 0.030 1 929 89 89 ARG HB2 H 2.306 0.030 2 930 89 89 ARG HB3 H 2.120 0.030 2 931 89 89 ARG HD2 H 3.126 0.030 1 932 89 89 ARG HD3 H 3.126 0.030 1 933 89 89 ARG HG2 H 1.589 0.030 2 934 89 89 ARG HG3 H 1.523 0.030 2 935 89 89 ARG C C 174.414 0.300 1 936 89 89 ARG CA C 58.305 0.300 1 937 89 89 ARG CB C 26.925 0.300 1 938 89 89 ARG CD C 43.038 0.300 1 939 89 89 ARG CG C 28.052 0.300 1 940 89 89 ARG N N 107.237 0.300 1 941 90 90 ALA H H 7.973 0.030 1 942 90 90 ALA HA H 4.924 0.030 1 943 90 90 ALA HB H 1.435 0.030 1 944 90 90 ALA C C 175.957 0.300 1 945 90 90 ALA CA C 50.809 0.300 1 946 90 90 ALA CB C 20.870 0.300 1 947 90 90 ALA N N 123.653 0.300 1 948 91 91 ARG H H 8.544 0.030 1 949 91 91 ARG HA H 3.271 0.030 1 950 91 91 ARG HB2 H 1.135 0.030 2 951 91 91 ARG HB3 H 0.022 0.030 2 952 91 91 ARG HD2 H 2.457 0.030 2 953 91 91 ARG HD3 H 2.433 0.030 2 954 91 91 ARG HE H 7.068 0.030 1 955 91 91 ARG HG2 H 1.227 0.030 2 956 91 91 ARG HG3 H 0.212 0.030 2 957 91 91 ARG C C 177.251 0.300 1 958 91 91 ARG CA C 56.535 0.300 1 959 91 91 ARG CB C 29.146 0.300 1 960 91 91 ARG CD C 43.211 0.300 1 961 91 91 ARG CG C 27.436 0.300 1 962 91 91 ARG N N 125.553 0.300 1 963 91 91 ARG NE N 86.560 0.300 1 964 92 92 LEU H H 8.506 0.030 1 965 92 92 LEU HA H 3.864 0.030 1 966 92 92 LEU HB2 H 1.549 0.030 2 967 92 92 LEU HB3 H 1.426 0.030 2 968 92 92 LEU HD1 H 0.557 0.030 1 969 92 92 LEU HD2 H -0.266 0.030 1 970 92 92 LEU HG H 1.302 0.030 1 971 92 92 LEU C C 178.190 0.300 1 972 92 92 LEU CA C 54.873 0.300 1 973 92 92 LEU CB C 39.953 0.300 1 974 92 92 LEU CD1 C 25.541 0.300 2 975 92 92 LEU CD2 C 19.237 0.300 2 976 92 92 LEU CG C 25.546 0.300 1 977 92 92 LEU N N 127.206 0.300 1 978 93 93 GLU H H 8.408 0.030 1 979 93 93 GLU HA H 4.584 0.030 1 980 93 93 GLU HB2 H 2.109 0.030 1 981 93 93 GLU HB3 H 2.109 0.030 1 982 93 93 GLU HG2 H 2.418 0.030 2 983 93 93 GLU HG3 H 2.360 0.030 2 984 93 93 GLU C C 175.139 0.300 1 985 93 93 GLU CA C 54.494 0.300 1 986 93 93 GLU CB C 29.593 0.300 1 987 93 93 GLU CG C 35.771 0.300 1 988 93 93 GLU N N 123.626 0.300 1 989 94 94 PRO HA H 4.565 0.030 1 990 94 94 PRO HB2 H 2.084 0.030 2 991 94 94 PRO HB3 H 1.912 0.030 2 992 94 94 PRO HD2 H 3.962 0.030 2 993 94 94 PRO HD3 H 3.765 0.030 2 994 94 94 PRO HG2 H 2.151 0.030 1 995 94 94 PRO HG3 H 2.151 0.030 1 996 94 94 PRO C C 176.408 0.300 1 997 94 94 PRO CA C 63.889 0.300 1 998 94 94 PRO CB C 32.850 0.300 1 999 94 94 PRO CD C 50.760 0.300 1 1000 94 94 PRO CG C 27.644 0.300 1 1001 95 95 LEU H H 8.875 0.030 1 1002 95 95 LEU HA H 4.154 0.030 1 1003 95 95 LEU HB2 H 2.238 0.030 2 1004 95 95 LEU HB3 H 1.684 0.030 2 1005 95 95 LEU HD1 H 0.979 0.030 1 1006 95 95 LEU HD2 H 1.044 0.030 1 1007 95 95 LEU HG H 1.520 0.030 1 1008 95 95 LEU C C 174.750 0.300 1 1009 95 95 LEU CA C 57.371 0.300 1 1010 95 95 LEU CB C 38.601 0.300 1 1011 95 95 LEU CD1 C 25.703 0.300 2 1012 95 95 LEU CD2 C 22.769 0.300 2 1013 95 95 LEU CG C 27.841 0.300 1 1014 95 95 LEU N N 114.296 0.300 1 1015 96 96 ARG H H 7.513 0.030 1 1016 96 96 ARG HA H 4.563 0.030 1 1017 96 96 ARG HB2 H 1.828 0.030 2 1018 96 96 ARG HB3 H 1.697 0.030 2 1019 96 96 ARG HD2 H 3.057 0.030 1 1020 96 96 ARG HD3 H 3.057 0.030 1 1021 96 96 ARG HG2 H 1.524 0.030 2 1022 96 96 ARG HG3 H 1.008 0.030 2 1023 96 96 ARG C C 174.691 0.300 1 1024 96 96 ARG CA C 54.814 0.300 1 1025 96 96 ARG CB C 31.978 0.300 1 1026 96 96 ARG CD C 43.343 0.300 1 1027 96 96 ARG CG C 26.982 0.300 1 1028 96 96 ARG N N 120.001 0.300 1 1029 97 97 VAL H H 8.543 0.030 1 1030 97 97 VAL HA H 4.238 0.030 1 1031 97 97 VAL HB H 1.876 0.030 1 1032 97 97 VAL HG1 H 0.897 0.030 1 1033 97 97 VAL HG2 H 0.916 0.030 1 1034 97 97 VAL C C 176.325 0.300 1 1035 97 97 VAL CA C 63.414 0.300 1 1036 97 97 VAL CB C 32.309 0.300 1 1037 97 97 VAL CG1 C 22.082 0.300 2 1038 97 97 VAL CG2 C 21.835 0.300 2 1039 97 97 VAL N N 125.943 0.300 1 1040 98 98 TYR H H 9.013 0.030 1 1041 98 98 TYR HA H 4.823 0.030 1 1042 98 98 TYR HB2 H 2.802 0.030 1 1043 98 98 TYR HB3 H 2.802 0.030 1 1044 98 98 TYR HD1 H 7.349 0.030 1 1045 98 98 TYR HD2 H 7.349 0.030 1 1046 98 98 TYR HE1 H 6.995 0.030 1 1047 98 98 TYR HE2 H 6.995 0.030 1 1048 98 98 TYR C C 175.845 0.300 1 1049 98 98 TYR CA C 57.035 0.300 1 1050 98 98 TYR CB C 40.396 0.300 1 1051 98 98 TYR CD1 C 134.637 0.300 1 1052 98 98 TYR CD2 C 134.637 0.300 1 1053 98 98 TYR CE1 C 118.392 0.300 1 1054 98 98 TYR CE2 C 118.392 0.300 1 1055 98 98 TYR N N 126.883 0.300 1 1056 99 99 SER H H 8.842 0.030 1 1057 99 99 SER HA H 4.550 0.030 1 1058 99 99 SER HB2 H 3.787 0.030 2 1059 99 99 SER HB3 H 3.663 0.030 2 1060 99 99 SER C C 173.264 0.300 1 1061 99 99 SER CA C 59.624 0.300 1 1062 99 99 SER CB C 63.546 0.300 1 1063 99 99 SER N N 119.393 0.300 1 1064 100 100 ILE H H 7.632 0.030 1 1065 100 100 ILE HA H 4.857 0.030 1 1066 100 100 ILE HB H 1.819 0.030 1 1067 100 100 ILE HD1 H 0.552 0.030 1 1068 100 100 ILE HG12 H 1.213 0.030 2 1069 100 100 ILE HG13 H 0.630 0.030 2 1070 100 100 ILE HG2 H 0.845 0.030 1 1071 100 100 ILE C C 173.817 0.300 1 1072 100 100 ILE CA C 59.423 0.300 1 1073 100 100 ILE CB C 40.965 0.300 1 1074 100 100 ILE CD1 C 13.650 0.300 1 1075 100 100 ILE CG1 C 24.946 0.300 1 1076 100 100 ILE CG2 C 19.116 0.300 1 1077 100 100 ILE N N 113.851 0.300 1 1078 101 101 HIS H H 9.226 0.030 1 1079 101 101 HIS HA H 4.784 0.030 1 1080 101 101 HIS HB2 H 3.308 0.030 2 1081 101 101 HIS HB3 H 2.836 0.030 2 1082 101 101 HIS HD2 H 7.195 0.030 1 1083 101 101 HIS HE1 H 7.901 0.030 1 1084 101 101 HIS C C 173.880 0.300 1 1085 101 101 HIS CA C 54.858 0.300 1 1086 101 101 HIS CB C 33.443 0.300 1 1087 101 101 HIS CD2 C 122.712 0.300 1 1088 101 101 HIS CE1 C 137.515 0.300 1 1089 101 101 HIS N N 120.792 0.300 1 1090 102 102 GLN H H 8.988 0.030 1 1091 102 102 GLN HA H 3.892 0.030 1 1092 102 102 GLN HB2 H 2.364 0.030 2 1093 102 102 GLN HB3 H 2.081 0.030 2 1094 102 102 GLN HE21 H 7.466 0.030 2 1095 102 102 GLN HE22 H 7.386 0.030 2 1096 102 102 GLN HG2 H 2.296 0.030 2 1097 102 102 GLN HG3 H 2.132 0.030 2 1098 102 102 GLN C C 177.278 0.300 1 1099 102 102 GLN CA C 57.834 0.300 1 1100 102 102 GLN CB C 28.605 0.300 1 1101 102 102 GLN CG C 33.294 0.300 1 1102 102 102 GLN N N 120.008 0.300 1 1103 102 102 GLN NE2 N 114.646 0.300 1 1104 103 103 GLY H H 9.498 0.030 1 1105 103 103 GLY HA2 H 4.430 0.030 2 1106 103 103 GLY HA3 H 4.009 0.030 2 1107 103 103 GLY C C 174.679 0.300 1 1108 103 103 GLY CA C 45.013 0.300 1 1109 103 103 GLY N N 116.807 0.300 1 1110 104 104 ASP H H 8.238 0.030 1 1111 104 104 ASP HA H 5.029 0.030 1 1112 104 104 ASP HB2 H 2.895 0.030 2 1113 104 104 ASP HB3 H 2.495 0.030 2 1114 104 104 ASP C C 174.796 0.300 1 1115 104 104 ASP CA C 55.516 0.300 1 1116 104 104 ASP CB C 41.905 0.300 1 1117 104 104 ASP N N 121.281 0.300 1 1118 105 105 TYR H H 8.611 0.030 1 1119 105 105 TYR HA H 5.422 0.030 1 1120 105 105 TYR HB2 H 3.071 0.030 2 1121 105 105 TYR HB3 H 3.007 0.030 2 1122 105 105 TYR HD1 H 7.108 0.030 1 1123 105 105 TYR HD2 H 7.108 0.030 1 1124 105 105 TYR HE1 H 6.643 0.030 1 1125 105 105 TYR HE2 H 6.643 0.030 1 1126 105 105 TYR C C 176.055 0.300 1 1127 105 105 TYR CA C 56.811 0.300 1 1128 105 105 TYR CB C 41.488 0.300 1 1129 105 105 TYR CD1 C 132.628 0.300 1 1130 105 105 TYR CD2 C 132.628 0.300 1 1131 105 105 TYR CE1 C 118.000 0.300 1 1132 105 105 TYR CE2 C 118.000 0.300 1 1133 105 105 TYR N N 120.687 0.300 1 1134 106 106 ILE H H 9.628 0.030 1 1135 106 106 ILE HA H 5.183 0.030 1 1136 106 106 ILE HB H 1.567 0.030 1 1137 106 106 ILE HD1 H 0.671 0.030 1 1138 106 106 ILE HG12 H 1.407 0.030 2 1139 106 106 ILE HG13 H 0.975 0.030 2 1140 106 106 ILE HG2 H 0.735 0.030 1 1141 106 106 ILE C C 174.329 0.300 1 1142 106 106 ILE CA C 59.171 0.300 1 1143 106 106 ILE CB C 41.685 0.300 1 1144 106 106 ILE CD1 C 14.274 0.300 1 1145 106 106 ILE CG1 C 28.175 0.300 1 1146 106 106 ILE CG2 C 17.410 0.300 1 1147 106 106 ILE N N 125.729 0.300 1 1148 107 107 GLN H H 9.329 0.030 1 1149 107 107 GLN HA H 5.151 0.030 1 1150 107 107 GLN HB2 H 2.149 0.030 2 1151 107 107 GLN HB3 H 1.955 0.030 2 1152 107 107 GLN HE21 H 7.704 0.030 2 1153 107 107 GLN HE22 H 6.486 0.030 2 1154 107 107 GLN HG2 H 2.082 0.030 2 1155 107 107 GLN HG3 H 2.022 0.030 2 1156 107 107 GLN C C 174.811 0.300 1 1157 107 107 GLN CA C 54.075 0.300 1 1158 107 107 GLN CB C 33.363 0.300 1 1159 107 107 GLN CG C 34.057 0.300 1 1160 107 107 GLN N N 126.449 0.300 1 1161 107 107 GLN NE2 N 113.577 0.300 1 1162 108 108 LEU H H 8.415 0.030 1 1163 108 108 LEU HA H 5.012 0.030 1 1164 108 108 LEU HB2 H 1.917 0.030 2 1165 108 108 LEU HB3 H 0.671 0.030 2 1166 108 108 LEU HD1 H 0.593 0.030 1 1167 108 108 LEU HD2 H 0.779 0.030 1 1168 108 108 LEU HG H 1.611 0.030 1 1169 108 108 LEU C C 175.286 0.300 1 1170 108 108 LEU CA C 53.391 0.300 1 1171 108 108 LEU CB C 42.134 0.300 1 1172 108 108 LEU CD1 C 26.311 0.300 2 1173 108 108 LEU CD2 C 24.960 0.300 2 1174 108 108 LEU CG C 27.285 0.300 1 1175 108 108 LEU N N 124.645 0.300 1 1176 109 109 GLY H H 8.290 0.030 1 1177 109 109 GLY HA2 H 4.081 0.030 2 1178 109 109 GLY HA3 H 3.588 0.030 2 1179 109 109 GLY C C 174.853 0.300 1 1180 109 109 GLY CA C 44.744 0.300 1 1181 109 109 GLY N N 108.596 0.300 1 1182 110 110 VAL H H 7.793 0.030 1 1183 110 110 VAL HA H 4.523 0.030 1 1184 110 110 VAL HB H 2.068 0.030 1 1185 110 110 VAL HG1 H 0.979 0.030 1 1186 110 110 VAL HG2 H 0.727 0.030 1 1187 110 110 VAL C C 172.864 0.300 1 1188 110 110 VAL CA C 58.276 0.300 1 1189 110 110 VAL CB C 33.152 0.300 1 1190 110 110 VAL CG1 C 23.110 0.300 2 1191 110 110 VAL CG2 C 17.941 0.300 2 1192 110 110 VAL N N 110.058 0.300 1 1193 111 111 PRO HA H 4.107 0.030 1 1194 111 111 PRO HB2 H 1.668 0.030 2 1195 111 111 PRO HB3 H 1.622 0.030 2 1196 111 111 PRO HD2 H 3.284 0.030 1 1197 111 111 PRO HD3 H 3.284 0.030 1 1198 111 111 PRO HG2 H 1.780 0.030 2 1199 111 111 PRO HG3 H 1.365 0.030 2 1200 111 111 PRO C C 176.876 0.300 1 1201 111 111 PRO CA C 62.243 0.300 1 1202 111 111 PRO CB C 32.367 0.300 1 1203 111 111 PRO CD C 50.710 0.300 1 1204 111 111 PRO CG C 27.838 0.300 1 1205 112 112 LEU H H 8.234 0.030 1 1206 112 112 LEU HA H 4.246 0.030 1 1207 112 112 LEU HB2 H 1.577 0.030 2 1208 112 112 LEU HB3 H 1.496 0.030 2 1209 112 112 LEU HD1 H 0.898 0.030 1 1210 112 112 LEU HD2 H 0.886 0.030 1 1211 112 112 LEU HG H 1.683 0.030 1 1212 112 112 LEU C C 176.539 0.300 1 1213 112 112 LEU CA C 54.304 0.300 1 1214 112 112 LEU CB C 42.686 0.300 1 1215 112 112 LEU CD1 C 25.703 0.300 2 1216 112 112 LEU CD2 C 23.311 0.300 2 1217 112 112 LEU CG C 27.374 0.300 1 1218 112 112 LEU N N 122.520 0.300 1 1219 113 113 GLU H H 8.255 0.030 1 1220 113 113 GLU HA H 3.905 0.030 1 1221 113 113 GLU HB2 H 1.931 0.030 1 1222 113 113 GLU HB3 H 1.931 0.030 1 1223 113 113 GLU HG2 H 2.230 0.030 1 1224 113 113 GLU HG3 H 2.230 0.030 1 1225 113 113 GLU C C 176.501 0.300 1 1226 113 113 GLU CA C 57.888 0.300 1 1227 113 113 GLU CB C 29.446 0.300 1 1228 113 113 GLU CG C 36.174 0.300 1 1229 113 113 GLU N N 118.321 0.300 1 1230 114 114 ASN H H 8.637 0.030 1 1231 114 114 ASN HA H 4.379 0.030 1 1232 114 114 ASN HB2 H 2.957 0.030 1 1233 114 114 ASN HB3 H 2.957 0.030 1 1234 114 114 ASN HD21 H 7.567 0.030 2 1235 114 114 ASN HD22 H 6.916 0.030 2 1236 114 114 ASN C C 174.554 0.300 1 1237 114 114 ASN CA C 54.521 0.300 1 1238 114 114 ASN CB C 37.790 0.300 1 1239 114 114 ASN N N 115.872 0.300 1 1240 114 114 ASN ND2 N 113.421 0.300 1 1241 115 115 LYS H H 7.876 0.030 1 1242 115 115 LYS HA H 4.494 0.030 1 1243 115 115 LYS HB2 H 1.862 0.030 1 1244 115 115 LYS HB3 H 1.862 0.030 1 1245 115 115 LYS HD2 H 1.681 0.030 2 1246 115 115 LYS HD3 H 1.624 0.030 2 1247 115 115 LYS HE2 H 2.991 0.030 2 1248 115 115 LYS HE3 H 2.919 0.030 2 1249 115 115 LYS HG2 H 1.441 0.030 2 1250 115 115 LYS HG3 H 1.286 0.030 2 1251 115 115 LYS C C 176.099 0.300 1 1252 115 115 LYS CA C 54.752 0.300 1 1253 115 115 LYS CB C 33.444 0.300 1 1254 115 115 LYS CD C 28.247 0.300 1 1255 115 115 LYS CE C 42.241 0.300 1 1256 115 115 LYS CG C 24.713 0.300 1 1257 115 115 LYS N N 118.319 0.300 1 1258 116 116 GLU H H 8.352 0.030 1 1259 116 116 GLU HA H 4.154 0.030 1 1260 116 116 GLU HB2 H 1.972 0.030 2 1261 116 116 GLU HB3 H 1.824 0.030 2 1262 116 116 GLU HG2 H 2.193 0.030 2 1263 116 116 GLU HG3 H 2.161 0.030 2 1264 116 116 GLU C C 175.861 0.300 1 1265 116 116 GLU CA C 57.153 0.300 1 1266 116 116 GLU CB C 30.953 0.300 1 1267 116 116 GLU CG C 36.481 0.300 1 1268 116 116 GLU N N 117.608 0.300 1 1269 117 117 ASN H H 7.614 0.030 1 1270 117 117 ASN HA H 4.880 0.030 1 1271 117 117 ASN HB2 H 2.679 0.030 2 1272 117 117 ASN HB3 H 2.329 0.030 2 1273 117 117 ASN HD21 H 7.922 0.030 2 1274 117 117 ASN HD22 H 6.724 0.030 2 1275 117 117 ASN C C 174.851 0.300 1 1276 117 117 ASN CA C 52.186 0.300 1 1277 117 117 ASN CB C 41.296 0.300 1 1278 117 117 ASN N N 114.092 0.300 1 1279 117 117 ASN ND2 N 114.290 0.300 1 1280 118 118 ALA H H 8.821 0.030 1 1281 118 118 ALA HA H 3.899 0.030 1 1282 118 118 ALA HB H 1.007 0.030 1 1283 118 118 ALA C C 174.952 0.300 1 1284 118 118 ALA CA C 51.332 0.300 1 1285 118 118 ALA CB C 18.561 0.300 1 1286 118 118 ALA N N 125.484 0.300 1 1287 119 119 GLU H H 8.282 0.030 1 1288 119 119 GLU HA H 3.601 0.030 1 1289 119 119 GLU HB2 H 1.775 0.030 2 1290 119 119 GLU HB3 H 1.584 0.030 2 1291 119 119 GLU HG2 H 1.697 0.030 2 1292 119 119 GLU HG3 H 0.883 0.030 2 1293 119 119 GLU C C 176.421 0.300 1 1294 119 119 GLU CA C 59.276 0.300 1 1295 119 119 GLU CB C 29.822 0.300 1 1296 119 119 GLU CG C 34.703 0.300 1 1297 119 119 GLU N N 122.551 0.300 1 1298 120 120 TYR H H 8.438 0.030 1 1299 120 120 TYR HA H 4.187 0.030 1 1300 120 120 TYR HB2 H 2.973 0.030 2 1301 120 120 TYR HB3 H 2.845 0.030 2 1302 120 120 TYR HD1 H 7.116 0.030 1 1303 120 120 TYR HD2 H 7.116 0.030 1 1304 120 120 TYR HE1 H 6.550 0.030 1 1305 120 120 TYR HE2 H 6.550 0.030 1 1306 120 120 TYR C C 172.870 0.300 1 1307 120 120 TYR CA C 57.753 0.300 1 1308 120 120 TYR CB C 37.790 0.300 1 1309 120 120 TYR CD1 C 133.450 0.300 1 1310 120 120 TYR CD2 C 133.450 0.300 1 1311 120 120 TYR CE1 C 117.735 0.300 1 1312 120 120 TYR CE2 C 117.735 0.300 1 1313 120 120 TYR N N 116.848 0.300 1 1314 121 121 GLU H H 6.898 0.030 1 1315 121 121 GLU HA H 5.119 0.030 1 1316 121 121 GLU HB2 H 1.787 0.030 2 1317 121 121 GLU HB3 H 1.713 0.030 2 1318 121 121 GLU HG2 H 2.247 0.030 2 1319 121 121 GLU HG3 H 2.028 0.030 2 1320 121 121 GLU C C 174.576 0.300 1 1321 121 121 GLU CA C 54.086 0.300 1 1322 121 121 GLU CB C 32.991 0.300 1 1323 121 121 GLU CG C 37.544 0.300 1 1324 121 121 GLU N N 121.303 0.300 1 1325 122 122 TYR H H 9.322 0.030 1 1326 122 122 TYR HA H 5.397 0.030 1 1327 122 122 TYR HB2 H 2.406 0.030 2 1328 122 122 TYR HB3 H 2.243 0.030 2 1329 122 122 TYR HD1 H 6.450 0.030 1 1330 122 122 TYR HD2 H 6.450 0.030 1 1331 122 122 TYR HE1 H 6.869 0.030 1 1332 122 122 TYR HE2 H 6.869 0.030 1 1333 122 122 TYR C C 173.887 0.300 1 1334 122 122 TYR CA C 56.234 0.300 1 1335 122 122 TYR CB C 44.831 0.300 1 1336 122 122 TYR CD1 C 132.862 0.300 1 1337 122 122 TYR CD2 C 132.862 0.300 1 1338 122 122 TYR N N 119.984 0.300 1 1339 123 123 GLU H H 8.858 0.030 1 1340 123 123 GLU HA H 4.949 0.030 1 1341 123 123 GLU HB2 H 1.687 0.030 2 1342 123 123 GLU HB3 H 1.466 0.030 2 1343 123 123 GLU HG2 H 1.896 0.030 2 1344 123 123 GLU HG3 H 1.759 0.030 2 1345 123 123 GLU C C 176.082 0.300 1 1346 123 123 GLU CA C 53.392 0.300 1 1347 123 123 GLU CB C 32.980 0.300 1 1348 123 123 GLU CG C 36.276 0.300 1 1349 123 123 GLU N N 121.038 0.300 1 1350 124 124 VAL H H 9.021 0.030 1 1351 124 124 VAL HA H 4.118 0.030 1 1352 124 124 VAL HB H 2.382 0.030 1 1353 124 124 VAL HG1 H 0.698 0.030 1 1354 124 124 VAL HG2 H 0.818 0.030 1 1355 124 124 VAL C C 175.508 0.300 1 1356 124 124 VAL CA C 62.967 0.300 1 1357 124 124 VAL CB C 30.826 0.300 1 1358 124 124 VAL CG1 C 21.842 0.300 2 1359 124 124 VAL CG2 C 22.701 0.300 2 1360 124 124 VAL N N 127.988 0.300 1 1361 125 125 THR H H 8.887 0.030 1 1362 125 125 THR HA H 4.758 0.030 1 1363 125 125 THR HB H 3.808 0.030 1 1364 125 125 THR HG2 H 0.866 0.030 1 1365 125 125 THR C C 169.975 0.300 1 1366 125 125 THR CA C 59.677 0.300 1 1367 125 125 THR CB C 70.355 0.300 1 1368 125 125 THR CG2 C 20.368 0.300 1 1369 125 125 THR N N 123.110 0.300 1 1370 126 126 GLU H H 7.849 0.030 1 1371 126 126 GLU HA H 4.490 0.030 1 1372 126 126 GLU HB2 H 1.324 0.030 2 1373 126 126 GLU HB3 H -0.058 0.030 2 1374 126 126 GLU HG2 H 1.163 0.030 2 1375 126 126 GLU HG3 H 1.009 0.030 2 1376 126 126 GLU C C 175.422 0.300 1 1377 126 126 GLU CA C 54.658 0.300 1 1378 126 126 GLU CB C 30.605 0.300 1 1379 126 126 GLU CG C 36.227 0.300 1 1380 126 126 GLU N N 128.677 0.300 1 1381 127 127 GLU H H 8.352 0.030 1 1382 127 127 GLU HA H 4.820 0.030 1 1383 127 127 GLU HB2 H 2.162 0.030 2 1384 127 127 GLU HB3 H 1.506 0.030 2 1385 127 127 GLU HG2 H 2.216 0.030 2 1386 127 127 GLU HG3 H 2.164 0.030 2 1387 127 127 GLU C C 174.796 0.300 1 1388 127 127 GLU CA C 53.468 0.300 1 1389 127 127 GLU CB C 35.397 0.300 1 1390 127 127 GLU CG C 35.744 0.300 1 1391 127 127 GLU N N 123.464 0.300 1 1392 128 128 ASP H H 9.150 0.030 1 1393 128 128 ASP HA H 4.845 0.030 1 1394 128 128 ASP HB2 H 2.954 0.030 2 1395 128 128 ASP HB3 H 2.740 0.030 2 1396 128 128 ASP C C 177.743 0.300 1 1397 128 128 ASP CA C 54.757 0.300 1 1398 128 128 ASP CB C 41.534 0.300 1 1399 128 128 ASP N N 120.375 0.300 1 1400 129 129 TRP H H 8.863 0.030 1 1401 129 129 TRP HA H 4.307 0.030 1 1402 129 129 TRP HB2 H 3.370 0.030 2 1403 129 129 TRP HB3 H 3.124 0.030 2 1404 129 129 TRP HD1 H 7.051 0.030 1 1405 129 129 TRP HE1 H 9.795 0.030 1 1406 129 129 TRP HE3 H 7.476 0.030 1 1407 129 129 TRP HH2 H 7.195 0.030 1 1408 129 129 TRP HZ2 H 7.405 0.030 1 1409 129 129 TRP HZ3 H 7.105 0.030 1 1410 129 129 TRP C C 176.856 0.300 1 1411 129 129 TRP CA C 60.648 0.300 1 1412 129 129 TRP CB C 29.910 0.300 1 1413 129 129 TRP CD1 C 126.400 0.300 1 1414 129 129 TRP CE3 C 120.411 0.300 1 1415 129 129 TRP CH2 C 124.381 0.300 1 1416 129 129 TRP CZ2 C 114.972 0.300 1 1417 129 129 TRP CZ3 C 121.647 0.300 1 1418 129 129 TRP N N 125.330 0.300 1 1419 129 129 TRP NE1 N 128.276 0.300 1 1420 130 130 GLU H H 9.080 0.030 1 1421 130 130 GLU HA H 3.877 0.030 1 1422 130 130 GLU HB2 H 2.088 0.030 2 1423 130 130 GLU HB3 H 2.046 0.030 2 1424 130 130 GLU HG2 H 2.437 0.030 2 1425 130 130 GLU HG3 H 2.399 0.030 2 1426 130 130 GLU C C 178.019 0.300 1 1427 130 130 GLU CA C 59.495 0.300 1 1428 130 130 GLU CB C 29.274 0.300 1 1429 130 130 GLU CG C 37.093 0.300 1 1430 130 130 GLU N N 114.065 0.300 1 1431 131 131 THR H H 7.381 0.030 1 1432 131 131 THR HA H 3.896 0.030 1 1433 131 131 THR HB H 4.409 0.030 1 1434 131 131 THR HG2 H 1.251 0.030 1 1435 131 131 THR C C 174.481 0.300 1 1436 131 131 THR CA C 64.750 0.300 1 1437 131 131 THR CB C 69.014 0.300 1 1438 131 131 THR CG2 C 22.035 0.300 1 1439 131 131 THR N N 114.379 0.300 1 1440 132 132 ILE H H 7.275 0.030 1 1441 132 132 ILE HA H 3.548 0.030 1 1442 132 132 ILE HB H 1.572 0.030 1 1443 132 132 ILE HD1 H 0.745 0.030 1 1444 132 132 ILE HG12 H 1.545 0.030 2 1445 132 132 ILE HG13 H 1.206 0.030 2 1446 132 132 ILE HG2 H 0.784 0.030 1 1447 132 132 ILE C C 177.249 0.300 1 1448 132 132 ILE CA C 63.832 0.300 1 1449 132 132 ILE CB C 39.690 0.300 1 1450 132 132 ILE CD1 C 15.070 0.300 1 1451 132 132 ILE CG1 C 27.797 0.300 1 1452 132 132 ILE CG2 C 18.647 0.300 1 1453 132 132 ILE N N 116.846 0.300 1 1454 133 133 TYR H H 7.959 0.030 1 1455 133 133 TYR HA H 3.701 0.030 1 1456 133 133 TYR HB2 H 2.250 0.030 2 1457 133 133 TYR HB3 H 2.188 0.030 2 1458 133 133 TYR HD1 H 6.860 0.030 1 1459 133 133 TYR HD2 H 6.860 0.030 1 1460 133 133 TYR HE1 H 6.811 0.030 1 1461 133 133 TYR HE2 H 6.811 0.030 1 1462 133 133 TYR C C 174.200 0.300 1 1463 133 133 TYR CA C 62.776 0.300 1 1464 133 133 TYR CB C 35.398 0.300 1 1465 133 133 TYR CD1 C 133.080 0.300 1 1466 133 133 TYR CD2 C 133.080 0.300 1 1467 133 133 TYR CE1 C 118.036 0.300 1 1468 133 133 TYR CE2 C 118.036 0.300 1 1469 133 133 TYR N N 117.898 0.300 1 1470 134 134 PRO HA H 4.131 0.030 1 1471 134 134 PRO HB2 H 2.182 0.030 2 1472 134 134 PRO HB3 H 1.688 0.030 2 1473 134 134 PRO HD2 H 3.189 0.030 2 1474 134 134 PRO HD3 H 3.143 0.030 2 1475 134 134 PRO HG2 H 1.786 0.030 2 1476 134 134 PRO HG3 H 1.668 0.030 2 1477 134 134 PRO C C 177.083 0.300 1 1478 134 134 PRO CA C 64.947 0.300 1 1479 134 134 PRO CB C 31.326 0.300 1 1480 134 134 PRO CD C 50.270 0.300 1 1481 134 134 PRO CG C 27.778 0.300 1 1482 135 135 CYS H H 7.418 0.030 1 1483 135 135 CYS HA H 3.933 0.030 1 1484 135 135 CYS HB2 H 1.135 0.030 2 1485 135 135 CYS HB3 H 0.890 0.030 2 1486 135 135 CYS C C 173.862 0.300 1 1487 135 135 CYS CA C 56.340 0.300 1 1488 135 135 CYS CB C 26.905 0.300 1 1489 135 135 CYS N N 114.890 0.300 1 1490 136 136 LEU H H 6.753 0.030 1 1491 136 136 LEU HA H 4.120 0.030 1 1492 136 136 LEU HB2 H 1.589 0.030 2 1493 136 136 LEU HB3 H 1.529 0.030 2 1494 136 136 LEU HD1 H 0.934 0.030 1 1495 136 136 LEU HD2 H 0.728 0.030 1 1496 136 136 LEU HG H 1.727 0.030 1 1497 136 136 LEU C C 179.460 0.300 1 1498 136 136 LEU CA C 55.305 0.300 1 1499 136 136 LEU CB C 42.262 0.300 1 1500 136 136 LEU CD1 C 25.756 0.300 2 1501 136 136 LEU CD2 C 24.016 0.300 2 1502 136 136 LEU CG C 25.933 0.300 1 1503 136 136 LEU N N 118.274 0.300 1 1504 137 137 SER H H 9.179 0.030 1 1505 137 137 SER HA H 4.789 0.030 1 1506 137 137 SER HB2 H 3.879 0.030 2 1507 137 137 SER HB3 H 3.488 0.030 2 1508 137 137 SER C C 172.483 0.300 1 1509 137 137 SER CA C 56.987 0.300 1 1510 137 137 SER CB C 64.686 0.300 1 1511 137 137 SER N N 120.005 0.300 1 1512 138 138 PRO HA H 4.693 0.030 1 1513 138 138 PRO HB2 H 2.405 0.030 2 1514 138 138 PRO HB3 H 2.008 0.030 2 1515 138 138 PRO HD2 H 3.918 0.030 1 1516 138 138 PRO HD3 H 3.918 0.030 1 1517 138 138 PRO HG2 H 2.150 0.030 1 1518 138 138 PRO HG3 H 2.150 0.030 1 1519 138 138 PRO C C 177.574 0.300 1 1520 138 138 PRO CA C 63.176 0.300 1 1521 138 138 PRO CB C 32.241 0.300 1 1522 138 138 PRO CD C 50.862 0.300 1 1523 138 138 PRO CG C 27.586 0.300 1 1524 139 139 LYS H H 8.695 0.030 1 1525 139 139 LYS HA H 4.467 0.030 1 1526 139 139 LYS HB2 H 1.914 0.030 2 1527 139 139 LYS HB3 H 1.732 0.030 2 1528 139 139 LYS HD2 H 1.657 0.030 1 1529 139 139 LYS HD3 H 1.657 0.030 1 1530 139 139 LYS HE2 H 2.969 0.030 2 1531 139 139 LYS HE3 H 2.939 0.030 2 1532 139 139 LYS HG2 H 1.588 0.030 2 1533 139 139 LYS HG3 H 1.187 0.030 2 1534 139 139 LYS C C 177.416 0.300 1 1535 139 139 LYS CA C 56.470 0.300 1 1536 139 139 LYS CB C 33.937 0.300 1 1537 139 139 LYS CD C 29.912 0.300 1 1538 139 139 LYS CE C 41.944 0.300 1 1539 139 139 LYS CG C 25.626 0.300 1 1540 139 139 LYS N N 123.170 0.300 1 1541 140 140 SER H H 8.666 0.030 1 1542 140 140 SER HA H 4.484 0.030 1 1543 140 140 SER HB2 H 3.954 0.030 2 1544 140 140 SER HB3 H 3.851 0.030 2 1545 140 140 SER C C 174.440 0.300 1 1546 140 140 SER CA C 58.809 0.300 1 1547 140 140 SER CB C 63.808 0.300 1 1548 140 140 SER N N 118.047 0.300 1 1549 141 141 GLY H H 8.245 0.030 1 1550 141 141 GLY HA2 H 4.178 0.030 2 1551 141 141 GLY HA3 H 4.066 0.030 2 1552 141 141 GLY C C 171.734 0.300 1 1553 141 141 GLY CA C 44.840 0.300 1 1554 141 141 GLY N N 110.595 0.300 1 1555 142 142 PRO HA H 4.505 0.030 1 1556 142 142 PRO HB2 H 2.308 0.030 2 1557 142 142 PRO HB3 H 2.005 0.030 2 1558 142 142 PRO HD2 H 3.625 0.030 1 1559 142 142 PRO HD3 H 3.625 0.030 1 1560 142 142 PRO HG2 H 2.029 0.030 1 1561 142 142 PRO HG3 H 2.029 0.030 1 1562 142 142 PRO CA C 63.257 0.300 1 1563 142 142 PRO CB C 32.298 0.300 1 1564 142 142 PRO CD C 49.825 0.300 1 1565 142 142 PRO CG C 27.186 0.300 1 1566 143 143 SER H H 8.306 0.030 1 1567 144 144 SER HA H 4.515 0.030 1 1568 144 144 SER HB2 H 3.908 0.030 1 1569 144 144 SER HB3 H 3.908 0.030 1 1570 144 144 SER C C 173.894 0.300 1 1571 144 144 SER CA C 58.413 0.300 1 1572 144 144 SER CB C 63.956 0.300 1 1573 145 145 GLY H H 8.047 0.030 1 1574 145 145 GLY HA2 H 3.791 0.030 1 1575 145 145 GLY HA3 H 3.791 0.030 1 1576 145 145 GLY C C 178.940 0.300 1 1577 145 145 GLY CA C 46.272 0.300 1 1578 145 145 GLY N N 116.871 0.300 1 stop_ save_