data_11295 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RWD domain of human protein C21orf6 ; _BMRB_accession_number 11295 _BMRB_flat_file_name bmr11295.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Yoneyama M. . . 2 Kigawa T. . . 3 Saito K. . . 4 Tochio N. . . 5 Koshiba S. . . 6 Inoue M. . . 7 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" 814 "13C chemical shifts" 613 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the RWD domain of human protein C21orf6' _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 Yoneyama M. . . 2 Kigawa T. . . 3 Saito K. . . 4 Tochio N. . . 5 Koshiba S. . . 6 Inoue M. . . 7 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 'Protein C21orf6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RWD 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 'RWD domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; GSSGSSGEQAEAQLAELDLL ASMFPGENELIVNDQLAVAE LKDCIEKKTMEGRSSKVYFT INMNLDVSDEKMAMFSLACI LPFKYPAVLPEITVRSVLLS RSQQTQLNTDLTAFLQKHCH GDVCILNATEWVREHASGYV SRDTSSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 GLN 10 ALA 11 GLU 12 ALA 13 GLN 14 LEU 15 ALA 16 GLU 17 LEU 18 ASP 19 LEU 20 LEU 21 ALA 22 SER 23 MET 24 PHE 25 PRO 26 GLY 27 GLU 28 ASN 29 GLU 30 LEU 31 ILE 32 VAL 33 ASN 34 ASP 35 GLN 36 LEU 37 ALA 38 VAL 39 ALA 40 GLU 41 LEU 42 LYS 43 ASP 44 CYS 45 ILE 46 GLU 47 LYS 48 LYS 49 THR 50 MET 51 GLU 52 GLY 53 ARG 54 SER 55 SER 56 LYS 57 VAL 58 TYR 59 PHE 60 THR 61 ILE 62 ASN 63 MET 64 ASN 65 LEU 66 ASP 67 VAL 68 SER 69 ASP 70 GLU 71 LYS 72 MET 73 ALA 74 MET 75 PHE 76 SER 77 LEU 78 ALA 79 CYS 80 ILE 81 LEU 82 PRO 83 PHE 84 LYS 85 TYR 86 PRO 87 ALA 88 VAL 89 LEU 90 PRO 91 GLU 92 ILE 93 THR 94 VAL 95 ARG 96 SER 97 VAL 98 LEU 99 LEU 100 SER 101 ARG 102 SER 103 GLN 104 GLN 105 THR 106 GLN 107 LEU 108 ASN 109 THR 110 ASP 111 LEU 112 THR 113 ALA 114 PHE 115 LEU 116 GLN 117 LYS 118 HIS 119 CYS 120 HIS 121 GLY 122 ASP 123 VAL 124 CYS 125 ILE 126 LEU 127 ASN 128 ALA 129 THR 130 GLU 131 TRP 132 VAL 133 ARG 134 GLU 135 HIS 136 ALA 137 SER 138 GLY 139 TYR 140 VAL 141 SER 142 ARG 143 ASP 144 THR 145 SER 146 SER 147 SER 148 GLY 149 PRO 150 SER 151 SER 152 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 2DAX "Solution Structure Of The Rwd Domain Of Human Protein C21orf6" 100.00 152 100.00 100.00 1.71e-107 DBJ BAA90913 "unnamed protein product [Homo sapiens]" 95.39 319 97.93 99.31 1.14e-95 DBJ BAD97077 "chromosome 21 open reading frame 6 variant [Homo sapiens]" 95.39 319 97.24 98.62 4.49e-95 DBJ BAK64033 "hypothetical protein [Pan troglodytes]" 95.39 290 97.93 99.31 4.73e-96 EMBL CAB88085 "hypothetical protein [Homo sapiens]" 95.39 319 97.93 99.31 1.14e-95 EMBL CAB90431 "C21orf6 [Homo sapiens]" 95.39 319 97.93 99.31 1.14e-95 GB AAH12546 "RWD domain containing 2B [Homo sapiens]" 95.39 319 97.93 99.31 1.14e-95 GB AAH17912 "RWD domain containing 2B [Homo sapiens]" 95.39 319 97.93 99.31 1.14e-95 GB AAK14918 "GL011 [Homo sapiens]" 95.39 319 97.93 99.31 1.14e-95 GB ADQ32121 "chromosome 21 open reading frame 6 [synthetic construct]" 95.39 319 97.93 99.31 1.14e-95 GB AIC50494 "RWDD2B, partial [synthetic construct]" 95.39 319 97.93 99.31 1.14e-95 REF NP_001267094 "RWD domain-containing protein 2B [Pan troglodytes]" 95.39 290 97.93 99.31 4.73e-96 REF NP_058636 "RWD domain-containing protein 2B [Homo sapiens]" 95.39 319 97.93 99.31 1.14e-95 REF XP_003813235 "PREDICTED: RWD domain-containing protein 2B isoform X1 [Pan paniscus]" 95.39 319 97.93 99.31 1.09e-95 REF XP_003927746 "PREDICTED: RWD domain-containing protein 2B [Saimiri boliviensis boliviensis]" 89.47 290 97.06 99.26 2.86e-90 REF XP_004062697 "PREDICTED: RWD domain-containing protein 2B [Gorilla gorilla gorilla]" 95.39 319 97.24 99.31 1.25e-94 SP P57060 "RecName: Full=RWD domain-containing protein 2B" 95.39 319 97.93 99.31 1.14e-95 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 P050302-87 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.26mM RWD domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.26 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_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9318 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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 Bruker _Model AVANCE _Field_strength 800 _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 $XWINNMR $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 'RWD 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 6 6 SER HA H 4.560 0.030 1 2 6 6 SER HB2 H 4.062 0.030 2 3 6 6 SER HB3 H 3.930 0.030 2 4 6 6 SER CA C 59.067 0.300 1 5 6 6 SER CB C 64.135 0.300 1 6 7 7 GLY H H 8.732 0.030 1 7 7 7 GLY HA2 H 3.965 0.030 1 8 7 7 GLY HA3 H 3.965 0.030 1 9 7 7 GLY C C 175.346 0.300 1 10 7 7 GLY CA C 46.933 0.300 1 11 7 7 GLY N N 110.651 0.300 1 12 8 8 GLU H H 8.245 0.030 1 13 8 8 GLU HA H 4.158 0.030 1 14 8 8 GLU HB2 H 2.075 0.030 1 15 8 8 GLU HB3 H 2.075 0.030 1 16 8 8 GLU HG2 H 2.329 0.030 1 17 8 8 GLU HG3 H 2.329 0.030 1 18 8 8 GLU C C 179.614 0.300 1 19 8 8 GLU CA C 59.131 0.300 1 20 8 8 GLU CB C 29.574 0.300 1 21 8 8 GLU CG C 36.823 0.300 1 22 8 8 GLU N N 120.730 0.300 1 23 9 9 GLN H H 8.079 0.030 1 24 9 9 GLN HA H 4.144 0.030 1 25 9 9 GLN HB2 H 2.400 0.030 2 26 9 9 GLN HB3 H 2.257 0.030 2 27 9 9 GLN HE21 H 7.187 0.030 2 28 9 9 GLN HE22 H 6.673 0.030 2 29 9 9 GLN HG2 H 2.481 0.030 2 30 9 9 GLN HG3 H 2.316 0.030 2 31 9 9 GLN C C 177.574 0.300 1 32 9 9 GLN CA C 59.554 0.300 1 33 9 9 GLN CB C 26.494 0.300 1 34 9 9 GLN CG C 34.378 0.300 1 35 9 9 GLN N N 120.938 0.300 1 36 9 9 GLN NE2 N 109.168 0.300 1 37 10 10 ALA H H 8.036 0.030 1 38 10 10 ALA HA H 4.025 0.030 1 39 10 10 ALA HB H 1.505 0.030 1 40 10 10 ALA C C 179.321 0.300 1 41 10 10 ALA CA C 55.707 0.300 1 42 10 10 ALA CB C 18.624 0.300 1 43 10 10 ALA N N 121.531 0.300 1 44 11 11 GLU H H 8.355 0.030 1 45 11 11 GLU HA H 3.924 0.030 1 46 11 11 GLU HB2 H 2.104 0.030 1 47 11 11 GLU HB3 H 2.104 0.030 1 48 11 11 GLU HG2 H 2.503 0.030 2 49 11 11 GLU HG3 H 2.281 0.030 2 50 11 11 GLU C C 179.475 0.300 1 51 11 11 GLU CA C 60.010 0.300 1 52 11 11 GLU CB C 29.682 0.300 1 53 11 11 GLU CG C 37.326 0.300 1 54 11 11 GLU N N 116.031 0.300 1 55 12 12 ALA H H 7.991 0.030 1 56 12 12 ALA HA H 4.257 0.030 1 57 12 12 ALA HB H 1.534 0.030 1 58 12 12 ALA C C 180.790 0.300 1 59 12 12 ALA CA C 55.060 0.300 1 60 12 12 ALA CB C 17.900 0.300 1 61 12 12 ALA N N 122.247 0.300 1 62 13 13 GLN H H 8.218 0.030 1 63 13 13 GLN HA H 4.088 0.030 1 64 13 13 GLN HB2 H 2.405 0.030 2 65 13 13 GLN HB3 H 2.200 0.030 2 66 13 13 GLN HE21 H 8.568 0.030 2 67 13 13 GLN HE22 H 6.500 0.030 2 68 13 13 GLN HG2 H 3.297 0.030 2 69 13 13 GLN HG3 H 2.417 0.030 2 70 13 13 GLN C C 177.821 0.300 1 71 13 13 GLN CA C 60.527 0.300 1 72 13 13 GLN CB C 28.091 0.300 1 73 13 13 GLN CG C 35.735 0.300 1 74 13 13 GLN N N 118.074 0.300 1 75 13 13 GLN NE2 N 111.496 0.300 1 76 14 14 LEU H H 8.054 0.030 1 77 14 14 LEU HA H 4.080 0.030 1 78 14 14 LEU HB2 H 1.861 0.030 2 79 14 14 LEU HB3 H 1.485 0.030 2 80 14 14 LEU HD1 H 0.931 0.030 1 81 14 14 LEU HD2 H 0.956 0.030 1 82 14 14 LEU HG H 1.746 0.030 1 83 14 14 LEU C C 178.383 0.300 1 84 14 14 LEU CA C 58.037 0.300 1 85 14 14 LEU CB C 41.784 0.300 1 86 14 14 LEU CD1 C 24.195 0.300 2 87 14 14 LEU CD2 C 26.094 0.300 2 88 14 14 LEU CG C 26.923 0.300 1 89 14 14 LEU N N 118.761 0.300 1 90 15 15 ALA H H 8.198 0.030 1 91 15 15 ALA HA H 4.223 0.030 1 92 15 15 ALA HB H 1.559 0.030 1 93 15 15 ALA C C 181.230 0.300 1 94 15 15 ALA CA C 54.847 0.300 1 95 15 15 ALA CB C 17.936 0.300 1 96 15 15 ALA N N 119.331 0.300 1 97 16 16 GLU H H 8.220 0.030 1 98 16 16 GLU HA H 4.190 0.030 1 99 16 16 GLU HB2 H 2.497 0.030 2 100 16 16 GLU HB3 H 2.130 0.030 2 101 16 16 GLU HG2 H 2.316 0.030 2 102 16 16 GLU HG3 H 2.186 0.030 2 103 16 16 GLU C C 178.166 0.300 1 104 16 16 GLU CA C 59.743 0.300 1 105 16 16 GLU CB C 29.818 0.300 1 106 16 16 GLU CG C 37.338 0.300 1 107 16 16 GLU N N 121.298 0.300 1 108 17 17 LEU H H 8.122 0.030 1 109 17 17 LEU HA H 3.758 0.030 1 110 17 17 LEU HB2 H 1.745 0.030 2 111 17 17 LEU HB3 H 1.661 0.030 2 112 17 17 LEU HD1 H 0.607 0.030 1 113 17 17 LEU HD2 H 0.580 0.030 1 114 17 17 LEU HG H 1.661 0.030 1 115 17 17 LEU C C 179.386 0.300 1 116 17 17 LEU CA C 58.665 0.300 1 117 17 17 LEU CB C 41.485 0.300 1 118 17 17 LEU CD1 C 24.258 0.300 2 119 17 17 LEU CD2 C 24.258 0.300 2 120 17 17 LEU CG C 26.970 0.300 1 121 17 17 LEU N N 120.911 0.300 1 122 18 18 ASP H H 8.069 0.030 1 123 18 18 ASP HA H 4.389 0.030 1 124 18 18 ASP HB2 H 2.778 0.030 2 125 18 18 ASP HB3 H 2.621 0.030 2 126 18 18 ASP C C 179.319 0.300 1 127 18 18 ASP CA C 57.385 0.300 1 128 18 18 ASP CB C 40.543 0.300 1 129 18 18 ASP N N 119.195 0.300 1 130 19 19 LEU H H 7.888 0.030 1 131 19 19 LEU HA H 4.197 0.030 1 132 19 19 LEU HB2 H 2.148 0.030 2 133 19 19 LEU HB3 H 1.753 0.030 2 134 19 19 LEU HD1 H 0.988 0.030 1 135 19 19 LEU HD2 H 0.949 0.030 1 136 19 19 LEU HG H 1.575 0.030 1 137 19 19 LEU C C 180.593 0.300 1 138 19 19 LEU CA C 58.053 0.300 1 139 19 19 LEU CB C 41.764 0.300 1 140 19 19 LEU CD1 C 25.723 0.300 2 141 19 19 LEU CD2 C 23.777 0.300 2 142 19 19 LEU CG C 27.242 0.300 1 143 19 19 LEU N N 123.319 0.300 1 144 20 20 LEU H H 9.181 0.030 1 145 20 20 LEU HA H 4.021 0.030 1 146 20 20 LEU HB2 H 1.931 0.030 2 147 20 20 LEU HB3 H 1.259 0.030 2 148 20 20 LEU HD1 H 0.680 0.030 1 149 20 20 LEU HD2 H 0.970 0.030 1 150 20 20 LEU HG H 2.102 0.030 1 151 20 20 LEU C C 178.569 0.300 1 152 20 20 LEU CA C 58.259 0.300 1 153 20 20 LEU CB C 41.751 0.300 1 154 20 20 LEU CD1 C 27.204 0.300 2 155 20 20 LEU CD2 C 22.286 0.300 2 156 20 20 LEU CG C 26.465 0.300 1 157 20 20 LEU N N 121.280 0.300 1 158 21 21 ALA H H 8.133 0.030 1 159 21 21 ALA HA H 4.026 0.030 1 160 21 21 ALA HB H 1.466 0.030 1 161 21 21 ALA C C 179.660 0.300 1 162 21 21 ALA CA C 54.823 0.300 1 163 21 21 ALA CB C 17.630 0.300 1 164 21 21 ALA N N 120.178 0.300 1 165 22 22 SER H H 7.433 0.030 1 166 22 22 SER HA H 4.324 0.030 1 167 22 22 SER HB2 H 4.013 0.030 2 168 22 22 SER HB3 H 3.981 0.030 2 169 22 22 SER CA C 60.446 0.300 1 170 22 22 SER CB C 63.549 0.300 1 171 22 22 SER N N 111.436 0.300 1 172 23 23 MET H H 7.774 0.030 1 173 23 23 MET HA H 4.225 0.030 1 174 23 23 MET HB2 H 1.858 0.030 2 175 23 23 MET HB3 H 1.568 0.030 2 176 23 23 MET HE H 1.984 0.030 1 177 23 23 MET HG2 H 2.426 0.030 1 178 23 23 MET HG3 H 2.426 0.030 1 179 23 23 MET CA C 56.083 0.300 1 180 23 23 MET CB C 32.915 0.300 1 181 23 23 MET CE C 16.870 0.300 1 182 23 23 MET CG C 32.261 0.300 1 183 23 23 MET N N 120.728 0.300 1 184 24 24 PHE H H 7.975 0.030 1 185 24 24 PHE HA H 4.833 0.030 1 186 24 24 PHE HB2 H 3.018 0.030 2 187 24 24 PHE HB3 H 2.949 0.030 2 188 24 24 PHE HD1 H 7.453 0.030 1 189 24 24 PHE HD2 H 7.453 0.030 1 190 24 24 PHE HE1 H 7.217 0.030 1 191 24 24 PHE HE2 H 7.217 0.030 1 192 24 24 PHE HZ H 7.251 0.030 1 193 24 24 PHE CA C 56.065 0.300 1 194 24 24 PHE CB C 39.057 0.300 1 195 24 24 PHE CD1 C 132.715 0.300 1 196 24 24 PHE CD2 C 132.715 0.300 1 197 24 24 PHE CE1 C 130.495 0.300 1 198 24 24 PHE CE2 C 130.495 0.300 1 199 24 24 PHE CZ C 128.838 0.300 1 200 24 24 PHE N N 118.141 0.300 1 201 25 25 PRO HA H 4.792 0.030 1 202 25 25 PRO HB2 H 2.186 0.030 2 203 25 25 PRO HB3 H 2.105 0.030 2 204 25 25 PRO HD2 H 3.636 0.030 2 205 25 25 PRO HD3 H 3.274 0.030 2 206 25 25 PRO HG2 H 1.962 0.030 2 207 25 25 PRO HG3 H 1.882 0.030 2 208 25 25 PRO C C 178.672 0.300 1 209 25 25 PRO CA C 64.392 0.300 1 210 25 25 PRO CB C 32.901 0.300 1 211 25 25 PRO CD C 49.407 0.300 1 212 25 25 PRO CG C 26.239 0.300 1 213 26 26 GLY H H 9.206 0.030 1 214 26 26 GLY HA2 H 4.153 0.030 2 215 26 26 GLY HA3 H 3.835 0.030 2 216 26 26 GLY C C 175.116 0.300 1 217 26 26 GLY CA C 44.995 0.300 1 218 26 26 GLY N N 112.091 0.300 1 219 27 27 GLU H H 8.869 0.030 1 220 27 27 GLU HA H 4.128 0.030 1 221 27 27 GLU HB2 H 2.033 0.030 2 222 27 27 GLU HB3 H 1.972 0.030 2 223 27 27 GLU HG2 H 2.296 0.030 2 224 27 27 GLU HG3 H 2.249 0.030 2 225 27 27 GLU C C 177.420 0.300 1 226 27 27 GLU CA C 58.763 0.300 1 227 27 27 GLU CB C 29.436 0.300 1 228 27 27 GLU CG C 35.989 0.300 1 229 27 27 GLU N N 123.962 0.300 1 230 28 28 ASN H H 9.069 0.030 1 231 28 28 ASN HA H 4.400 0.030 1 232 28 28 ASN HB2 H 3.019 0.030 2 233 28 28 ASN HB3 H 2.827 0.030 2 234 28 28 ASN HD21 H 7.610 0.030 2 235 28 28 ASN HD22 H 6.876 0.030 2 236 28 28 ASN C C 174.256 0.300 1 237 28 28 ASN CA C 54.339 0.300 1 238 28 28 ASN CB C 38.545 0.300 1 239 28 28 ASN N N 119.013 0.300 1 240 28 28 ASN ND2 N 113.603 0.300 1 241 29 29 GLU H H 7.766 0.030 1 242 29 29 GLU HA H 4.357 0.030 1 243 29 29 GLU HB2 H 2.211 0.030 2 244 29 29 GLU HB3 H 1.996 0.030 2 245 29 29 GLU HG2 H 2.353 0.030 1 246 29 29 GLU HG3 H 2.353 0.030 1 247 29 29 GLU C C 174.476 0.300 1 248 29 29 GLU CA C 59.996 0.300 1 249 29 29 GLU CB C 31.613 0.300 1 250 29 29 GLU CG C 38.335 0.300 1 251 29 29 GLU N N 119.836 0.300 1 252 30 30 LEU H H 7.680 0.030 1 253 30 30 LEU HA H 5.172 0.030 1 254 30 30 LEU HB2 H 1.986 0.030 2 255 30 30 LEU HB3 H 1.430 0.030 2 256 30 30 LEU HD1 H 0.635 0.030 1 257 30 30 LEU HD2 H 0.650 0.030 1 258 30 30 LEU HG H 1.322 0.030 1 259 30 30 LEU C C 175.592 0.300 1 260 30 30 LEU CA C 54.352 0.300 1 261 30 30 LEU CB C 43.577 0.300 1 262 30 30 LEU CD1 C 25.724 0.300 2 263 30 30 LEU CD2 C 25.258 0.300 2 264 30 30 LEU CG C 28.463 0.300 1 265 30 30 LEU N N 118.507 0.300 1 266 31 31 ILE H H 9.372 0.030 1 267 31 31 ILE HA H 4.305 0.030 1 268 31 31 ILE HB H 1.716 0.030 1 269 31 31 ILE HD1 H 0.745 0.030 1 270 31 31 ILE HG12 H 1.290 0.030 2 271 31 31 ILE HG13 H 1.077 0.030 2 272 31 31 ILE HG2 H 0.710 0.030 1 273 31 31 ILE C C 175.423 0.300 1 274 31 31 ILE CA C 59.242 0.300 1 275 31 31 ILE CB C 40.545 0.300 1 276 31 31 ILE CD1 C 13.149 0.300 1 277 31 31 ILE CG1 C 26.972 0.300 1 278 31 31 ILE CG2 C 17.348 0.300 1 279 31 31 ILE N N 128.334 0.300 1 280 32 32 VAL H H 8.977 0.030 1 281 32 32 VAL HA H 3.993 0.030 1 282 32 32 VAL HB H 2.115 0.030 1 283 32 32 VAL HG1 H 0.903 0.030 1 284 32 32 VAL HG2 H 0.913 0.030 1 285 32 32 VAL C C 175.491 0.300 1 286 32 32 VAL CA C 63.067 0.300 1 287 32 32 VAL CB C 30.710 0.300 1 288 32 32 VAL CG1 C 22.025 0.300 2 289 32 32 VAL CG2 C 20.836 0.300 2 290 32 32 VAL N N 127.976 0.300 1 291 33 33 ASN H H 8.104 0.030 1 292 33 33 ASN HA H 4.355 0.030 1 293 33 33 ASN HB2 H 2.278 0.030 2 294 33 33 ASN HB3 H 1.312 0.030 2 295 33 33 ASN HD21 H 6.444 0.030 1 296 33 33 ASN HD22 H 6.444 0.030 1 297 33 33 ASN C C 174.465 0.300 1 298 33 33 ASN CA C 56.325 0.300 1 299 33 33 ASN CB C 39.410 0.300 1 300 33 33 ASN N N 125.853 0.300 1 301 33 33 ASN ND2 N 108.347 0.300 1 302 34 34 ASP H H 6.884 0.030 1 303 34 34 ASP HA H 5.023 0.030 1 304 34 34 ASP HB2 H 3.215 0.030 2 305 34 34 ASP HB3 H 2.653 0.030 2 306 34 34 ASP CA C 52.846 0.300 1 307 34 34 ASP CB C 42.038 0.300 1 308 34 34 ASP N N 114.519 0.300 1 309 35 35 GLN HA H 4.079 0.030 1 310 35 35 GLN HB2 H 2.230 0.030 2 311 35 35 GLN HB3 H 2.053 0.030 2 312 35 35 GLN HE21 H 7.521 0.030 2 313 35 35 GLN HE22 H 6.878 0.030 2 314 35 35 GLN HG2 H 2.545 0.030 2 315 35 35 GLN HG3 H 2.447 0.030 2 316 35 35 GLN C C 178.900 0.300 1 317 35 35 GLN CA C 58.532 0.300 1 318 35 35 GLN CB C 28.410 0.300 1 319 35 35 GLN CG C 33.612 0.300 1 320 35 35 GLN NE2 N 111.505 0.300 1 321 36 36 LEU H H 8.228 0.030 1 322 36 36 LEU HA H 4.234 0.030 1 323 36 36 LEU HB2 H 1.863 0.030 1 324 36 36 LEU HB3 H 1.863 0.030 1 325 36 36 LEU HD1 H 1.001 0.030 1 326 36 36 LEU HD2 H 0.910 0.030 1 327 36 36 LEU HG H 1.693 0.030 1 328 36 36 LEU C C 179.325 0.300 1 329 36 36 LEU CA C 57.782 0.300 1 330 36 36 LEU CB C 40.531 0.300 1 331 36 36 LEU CD1 C 24.258 0.300 2 332 36 36 LEU CD2 C 24.544 0.300 2 333 36 36 LEU CG C 27.217 0.300 1 334 36 36 LEU N N 123.183 0.300 1 335 37 37 ALA H H 7.780 0.030 1 336 37 37 ALA HA H 4.015 0.030 1 337 37 37 ALA HB H 1.319 0.030 1 338 37 37 ALA C C 180.432 0.300 1 339 37 37 ALA CA C 55.065 0.300 1 340 37 37 ALA CB C 19.216 0.300 1 341 37 37 ALA N N 120.941 0.300 1 342 38 38 VAL H H 6.935 0.030 1 343 38 38 VAL HA H 3.609 0.030 1 344 38 38 VAL HB H 2.182 0.030 1 345 38 38 VAL HG1 H 0.994 0.030 1 346 38 38 VAL HG2 H 1.120 0.030 1 347 38 38 VAL C C 177.146 0.300 1 348 38 38 VAL CA C 66.658 0.300 1 349 38 38 VAL CB C 31.790 0.300 1 350 38 38 VAL CG1 C 21.546 0.300 2 351 38 38 VAL CG2 C 23.518 0.300 2 352 38 38 VAL N N 116.308 0.300 1 353 39 39 ALA H H 7.631 0.030 1 354 39 39 ALA HA H 4.117 0.030 1 355 39 39 ALA HB H 1.584 0.030 1 356 39 39 ALA C C 180.889 0.300 1 357 39 39 ALA CA C 55.558 0.300 1 358 39 39 ALA CB C 17.862 0.300 1 359 39 39 ALA N N 123.274 0.300 1 360 40 40 GLU H H 8.703 0.030 1 361 40 40 GLU HA H 4.131 0.030 1 362 40 40 GLU HB2 H 2.331 0.030 2 363 40 40 GLU HB3 H 2.146 0.030 2 364 40 40 GLU HG2 H 2.596 0.030 2 365 40 40 GLU HG3 H 2.293 0.030 2 366 40 40 GLU C C 179.301 0.300 1 367 40 40 GLU CA C 59.220 0.300 1 368 40 40 GLU CB C 30.436 0.300 1 369 40 40 GLU CG C 36.943 0.300 1 370 40 40 GLU N N 118.599 0.300 1 371 41 41 LEU H H 7.958 0.030 1 372 41 41 LEU HA H 4.035 0.030 1 373 41 41 LEU HB2 H 2.064 0.030 2 374 41 41 LEU HB3 H 1.848 0.030 2 375 41 41 LEU HD1 H 1.069 0.030 1 376 41 41 LEU HD2 H 0.990 0.030 1 377 41 41 LEU HG H 1.731 0.030 1 378 41 41 LEU C C 178.223 0.300 1 379 41 41 LEU CA C 58.521 0.300 1 380 41 41 LEU CB C 42.170 0.300 1 381 41 41 LEU CD1 C 23.765 0.300 2 382 41 41 LEU CD2 C 25.505 0.300 2 383 41 41 LEU CG C 26.967 0.300 1 384 41 41 LEU N N 121.945 0.300 1 385 42 42 LYS H H 8.077 0.030 1 386 42 42 LYS HA H 3.889 0.030 1 387 42 42 LYS HB2 H 1.982 0.030 2 388 42 42 LYS HB3 H 1.907 0.030 2 389 42 42 LYS HD2 H 1.708 0.030 1 390 42 42 LYS HD3 H 1.708 0.030 1 391 42 42 LYS HE2 H 2.983 0.030 2 392 42 42 LYS HE3 H 2.865 0.030 2 393 42 42 LYS HG2 H 1.683 0.030 2 394 42 42 LYS HG3 H 1.452 0.030 2 395 42 42 LYS C C 179.407 0.300 1 396 42 42 LYS CA C 60.518 0.300 1 397 42 42 LYS CB C 32.458 0.300 1 398 42 42 LYS CD C 29.667 0.300 1 399 42 42 LYS CE C 42.177 0.300 1 400 42 42 LYS CG C 26.795 0.300 1 401 42 42 LYS N N 117.229 0.300 1 402 43 43 ASP H H 8.122 0.030 1 403 43 43 ASP HA H 4.472 0.030 1 404 43 43 ASP HB2 H 2.810 0.030 2 405 43 43 ASP HB3 H 2.712 0.030 2 406 43 43 ASP C C 178.027 0.300 1 407 43 43 ASP CA C 57.655 0.300 1 408 43 43 ASP CB C 41.545 0.300 1 409 43 43 ASP N N 119.809 0.300 1 410 44 44 CYS H H 8.427 0.030 1 411 44 44 CYS HA H 4.356 0.030 1 412 44 44 CYS HB2 H 3.122 0.030 2 413 44 44 CYS HB3 H 3.041 0.030 2 414 44 44 CYS C C 177.501 0.300 1 415 44 44 CYS CA C 62.736 0.300 1 416 44 44 CYS CB C 26.835 0.300 1 417 44 44 CYS N N 117.459 0.300 1 418 45 45 ILE H H 7.803 0.030 1 419 45 45 ILE HA H 3.789 0.030 1 420 45 45 ILE HB H 1.917 0.030 1 421 45 45 ILE HD1 H 0.847 0.030 1 422 45 45 ILE HG12 H 1.826 0.030 2 423 45 45 ILE HG13 H 1.065 0.030 2 424 45 45 ILE HG2 H 0.960 0.030 1 425 45 45 ILE C C 178.801 0.300 1 426 45 45 ILE CA C 64.686 0.300 1 427 45 45 ILE CB C 38.628 0.300 1 428 45 45 ILE CD1 C 14.900 0.300 1 429 45 45 ILE CG1 C 29.929 0.300 1 430 45 45 ILE CG2 C 17.119 0.300 1 431 45 45 ILE N N 120.936 0.300 1 432 46 46 GLU H H 7.942 0.030 1 433 46 46 GLU HA H 4.066 0.030 1 434 46 46 GLU HB2 H 2.183 0.030 1 435 46 46 GLU HB3 H 2.183 0.030 1 436 46 46 GLU HG2 H 2.402 0.030 2 437 46 46 GLU HG3 H 2.274 0.030 2 438 46 46 GLU C C 178.578 0.300 1 439 46 46 GLU CA C 59.260 0.300 1 440 46 46 GLU CB C 29.961 0.300 1 441 46 46 GLU CG C 36.326 0.300 1 442 46 46 GLU N N 120.500 0.300 1 443 47 47 LYS H H 8.329 0.030 1 444 47 47 LYS HA H 4.181 0.030 1 445 47 47 LYS HB2 H 1.939 0.030 2 446 47 47 LYS HB3 H 1.835 0.030 2 447 47 47 LYS HD2 H 1.615 0.030 1 448 47 47 LYS HD3 H 1.615 0.030 1 449 47 47 LYS HE2 H 2.962 0.030 1 450 47 47 LYS HE3 H 2.962 0.030 1 451 47 47 LYS HG2 H 1.597 0.030 2 452 47 47 LYS HG3 H 1.451 0.030 2 453 47 47 LYS C C 176.100 0.300 1 454 47 47 LYS CA C 56.832 0.300 1 455 47 47 LYS CB C 33.134 0.300 1 456 47 47 LYS CD C 29.057 0.300 1 457 47 47 LYS CE C 42.374 0.300 1 458 47 47 LYS CG C 25.999 0.300 1 459 47 47 LYS N N 115.641 0.300 1 460 48 48 LYS H H 7.856 0.030 1 461 48 48 LYS HA H 3.975 0.030 1 462 48 48 LYS HB2 H 2.122 0.030 2 463 48 48 LYS HB3 H 1.925 0.030 2 464 48 48 LYS HD2 H 1.764 0.030 2 465 48 48 LYS HD3 H 1.685 0.030 2 466 48 48 LYS HE2 H 3.067 0.030 1 467 48 48 LYS HE3 H 3.067 0.030 1 468 48 48 LYS HG2 H 1.403 0.030 1 469 48 48 LYS HG3 H 1.403 0.030 1 470 48 48 LYS C C 175.881 0.300 1 471 48 48 LYS CA C 57.065 0.300 1 472 48 48 LYS CB C 29.389 0.300 1 473 48 48 LYS CD C 29.203 0.300 1 474 48 48 LYS CE C 42.481 0.300 1 475 48 48 LYS CG C 24.984 0.300 1 476 48 48 LYS N N 116.350 0.300 1 477 49 49 THR H H 7.950 0.030 1 478 49 49 THR HA H 4.652 0.030 1 479 49 49 THR HB H 4.294 0.030 1 480 49 49 THR HG2 H 1.116 0.030 1 481 49 49 THR C C 174.362 0.300 1 482 49 49 THR CA C 60.001 0.300 1 483 49 49 THR CB C 69.146 0.300 1 484 49 49 THR CG2 C 20.569 0.300 1 485 49 49 THR N N 111.003 0.300 1 486 50 50 MET H H 8.648 0.030 1 487 50 50 MET HA H 4.577 0.030 1 488 50 50 MET HB2 H 2.093 0.030 2 489 50 50 MET HB3 H 1.989 0.030 2 490 50 50 MET HE H 1.991 0.030 1 491 50 50 MET HG2 H 2.703 0.030 2 492 50 50 MET HG3 H 2.439 0.030 2 493 50 50 MET C C 177.463 0.300 1 494 50 50 MET CA C 55.449 0.300 1 495 50 50 MET CB C 31.846 0.300 1 496 50 50 MET CE C 17.601 0.300 1 497 50 50 MET CG C 32.627 0.300 1 498 50 50 MET N N 122.425 0.300 1 499 51 51 GLU H H 8.529 0.030 1 500 51 51 GLU HA H 4.124 0.030 1 501 51 51 GLU HB2 H 2.018 0.030 2 502 51 51 GLU HB3 H 1.929 0.030 2 503 51 51 GLU HG2 H 2.261 0.030 1 504 51 51 GLU HG3 H 2.261 0.030 1 505 51 51 GLU C C 176.949 0.300 1 506 51 51 GLU CA C 58.051 0.300 1 507 51 51 GLU CB C 29.682 0.300 1 508 51 51 GLU CG C 36.192 0.300 1 509 51 51 GLU N N 121.417 0.300 1 510 52 52 GLY H H 8.347 0.030 1 511 52 52 GLY HA2 H 3.961 0.030 2 512 52 52 GLY HA3 H 3.784 0.030 2 513 52 52 GLY C C 174.128 0.300 1 514 52 52 GLY CA C 45.128 0.300 1 515 52 52 GLY N N 108.365 0.300 1 516 53 53 ARG H H 7.318 0.030 1 517 53 53 ARG HA H 4.125 0.030 1 518 53 53 ARG HB2 H 1.577 0.030 2 519 53 53 ARG HB3 H 1.359 0.030 2 520 53 53 ARG HD2 H 3.297 0.030 2 521 53 53 ARG HD3 H 2.997 0.030 2 522 53 53 ARG HE H 8.144 0.030 1 523 53 53 ARG HG2 H 1.744 0.030 2 524 53 53 ARG HG3 H 1.451 0.030 2 525 53 53 ARG C C 175.838 0.300 1 526 53 53 ARG CA C 56.544 0.300 1 527 53 53 ARG CB C 30.454 0.300 1 528 53 53 ARG CD C 43.495 0.300 1 529 53 53 ARG CG C 27.463 0.300 1 530 53 53 ARG N N 120.136 0.300 1 531 53 53 ARG NE N 85.517 0.300 1 532 54 54 SER H H 9.926 0.030 1 533 54 54 SER HA H 4.719 0.030 1 534 54 54 SER HB2 H 3.987 0.030 2 535 54 54 SER HB3 H 3.860 0.030 2 536 54 54 SER C C 174.991 0.300 1 537 54 54 SER CA C 59.666 0.300 1 538 54 54 SER CB C 65.913 0.300 1 539 54 54 SER N N 119.311 0.300 1 540 55 55 SER H H 9.044 0.030 1 541 55 55 SER HA H 4.994 0.030 1 542 55 55 SER HB2 H 3.862 0.030 2 543 55 55 SER HB3 H 3.617 0.030 2 544 55 55 SER C C 172.582 0.300 1 545 55 55 SER CA C 58.087 0.300 1 546 55 55 SER CB C 64.710 0.300 1 547 55 55 SER N N 121.602 0.300 1 548 56 56 LYS H H 8.517 0.030 1 549 56 56 LYS HA H 3.990 0.030 1 550 56 56 LYS HB2 H 1.620 0.030 2 551 56 56 LYS HB3 H 1.211 0.030 2 552 56 56 LYS HD2 H 1.303 0.030 2 553 56 56 LYS HD3 H 1.130 0.030 2 554 56 56 LYS HE2 H 2.618 0.030 1 555 56 56 LYS HE3 H 2.618 0.030 1 556 56 56 LYS HG2 H 0.987 0.030 2 557 56 56 LYS HG3 H 0.628 0.030 2 558 56 56 LYS C C 176.306 0.300 1 559 56 56 LYS CA C 56.572 0.300 1 560 56 56 LYS CB C 32.908 0.300 1 561 56 56 LYS CD C 29.436 0.300 1 562 56 56 LYS CE C 41.517 0.300 1 563 56 56 LYS CG C 25.720 0.300 1 564 56 56 LYS N N 124.957 0.300 1 565 57 57 VAL H H 8.187 0.030 1 566 57 57 VAL HA H 3.668 0.030 1 567 57 57 VAL HB H 2.009 0.030 1 568 57 57 VAL HG1 H 1.169 0.030 1 569 57 57 VAL HG2 H 1.156 0.030 1 570 57 57 VAL C C 173.756 0.300 1 571 57 57 VAL CA C 65.145 0.300 1 572 57 57 VAL CB C 31.901 0.300 1 573 57 57 VAL CG1 C 22.397 0.300 2 574 57 57 VAL CG2 C 23.280 0.300 2 575 57 57 VAL N N 121.945 0.300 1 576 58 58 TYR H H 8.189 0.030 1 577 58 58 TYR HA H 5.966 0.030 1 578 58 58 TYR HB2 H 3.043 0.030 2 579 58 58 TYR HB3 H 2.931 0.030 2 580 58 58 TYR HD1 H 7.091 0.030 1 581 58 58 TYR HD2 H 7.091 0.030 1 582 58 58 TYR HE1 H 6.522 0.030 1 583 58 58 TYR HE2 H 6.522 0.030 1 584 58 58 TYR C C 175.034 0.300 1 585 58 58 TYR CA C 53.614 0.300 1 586 58 58 TYR CB C 40.769 0.300 1 587 58 58 TYR CD1 C 132.902 0.300 1 588 58 58 TYR CD2 C 132.902 0.300 1 589 58 58 TYR CE1 C 117.714 0.300 1 590 58 58 TYR CE2 C 117.714 0.300 1 591 58 58 TYR N N 127.517 0.300 1 592 59 59 PHE H H 8.904 0.030 1 593 59 59 PHE HA H 5.367 0.030 1 594 59 59 PHE HB2 H 3.101 0.030 2 595 59 59 PHE HB3 H 2.904 0.030 2 596 59 59 PHE HD1 H 6.751 0.030 1 597 59 59 PHE HD2 H 6.751 0.030 1 598 59 59 PHE HE1 H 7.088 0.030 1 599 59 59 PHE HE2 H 7.088 0.030 1 600 59 59 PHE HZ H 7.010 0.030 1 601 59 59 PHE C C 171.932 0.300 1 602 59 59 PHE CA C 56.058 0.300 1 603 59 59 PHE CB C 41.745 0.300 1 604 59 59 PHE CD1 C 131.865 0.300 1 605 59 59 PHE CD2 C 131.865 0.300 1 606 59 59 PHE CE1 C 130.269 0.300 1 607 59 59 PHE CE2 C 130.269 0.300 1 608 59 59 PHE CZ C 129.046 0.300 1 609 59 59 PHE N N 126.330 0.300 1 610 60 60 THR H H 9.462 0.030 1 611 60 60 THR HA H 5.520 0.030 1 612 60 60 THR HB H 3.819 0.030 1 613 60 60 THR HG2 H 0.965 0.030 1 614 60 60 THR C C 173.272 0.300 1 615 60 60 THR CA C 61.002 0.300 1 616 60 60 THR CB C 72.097 0.300 1 617 60 60 THR CG2 C 21.072 0.300 1 618 60 60 THR N N 117.245 0.300 1 619 61 61 ILE H H 8.713 0.030 1 620 61 61 ILE HA H 4.927 0.030 1 621 61 61 ILE HB H 1.438 0.030 1 622 61 61 ILE HD1 H 0.707 0.030 1 623 61 61 ILE HG12 H 1.659 0.030 2 624 61 61 ILE HG13 H 0.757 0.030 2 625 61 61 ILE HG2 H 0.106 0.030 1 626 61 61 ILE C C 174.792 0.300 1 627 61 61 ILE CA C 59.507 0.300 1 628 61 61 ILE CB C 41.031 0.300 1 629 61 61 ILE CD1 C 15.148 0.300 1 630 61 61 ILE CG1 C 28.456 0.300 1 631 61 61 ILE CG2 C 16.111 0.300 1 632 61 61 ILE N N 125.864 0.300 1 633 62 62 ASN H H 9.282 0.030 1 634 62 62 ASN HA H 5.382 0.030 1 635 62 62 ASN HB2 H 3.037 0.030 2 636 62 62 ASN HB3 H 2.705 0.030 2 637 62 62 ASN HD21 H 7.621 0.030 2 638 62 62 ASN HD22 H 6.362 0.030 2 639 62 62 ASN C C 174.326 0.300 1 640 62 62 ASN CA C 52.373 0.300 1 641 62 62 ASN CB C 40.618 0.300 1 642 62 62 ASN N N 127.277 0.300 1 643 62 62 ASN ND2 N 113.008 0.300 1 644 63 63 MET H H 9.190 0.030 1 645 63 63 MET HA H 4.707 0.030 1 646 63 63 MET HB2 H 2.035 0.030 1 647 63 63 MET HB3 H 2.035 0.030 1 648 63 63 MET HE H 2.149 0.030 1 649 63 63 MET HG2 H 2.431 0.030 2 650 63 63 MET HG3 H 2.370 0.030 2 651 63 63 MET C C 173.592 0.300 1 652 63 63 MET CA C 54.940 0.300 1 653 63 63 MET CB C 36.593 0.300 1 654 63 63 MET CE C 16.862 0.300 1 655 63 63 MET CG C 31.646 0.300 1 656 63 63 MET N N 121.528 0.300 1 657 64 64 ASN H H 8.975 0.030 1 658 64 64 ASN HA H 5.379 0.030 1 659 64 64 ASN HB2 H 2.732 0.030 2 660 64 64 ASN HB3 H 2.657 0.030 2 661 64 64 ASN HD21 H 7.428 0.030 2 662 64 64 ASN HD22 H 6.593 0.030 2 663 64 64 ASN C C 174.701 0.300 1 664 64 64 ASN CA C 52.594 0.300 1 665 64 64 ASN CB C 39.728 0.300 1 666 64 64 ASN N N 124.579 0.300 1 667 64 64 ASN ND2 N 110.955 0.300 1 668 65 65 LEU H H 9.126 0.030 1 669 65 65 LEU HA H 4.744 0.030 1 670 65 65 LEU HB2 H 1.666 0.030 2 671 65 65 LEU HB3 H 1.437 0.030 2 672 65 65 LEU HD1 H 0.405 0.030 1 673 65 65 LEU HD2 H 0.845 0.030 1 674 65 65 LEU HG H 1.595 0.030 1 675 65 65 LEU C C 175.710 0.300 1 676 65 65 LEU CA C 53.600 0.300 1 677 65 65 LEU CB C 44.453 0.300 1 678 65 65 LEU CD1 C 25.723 0.300 2 679 65 65 LEU CD2 C 24.251 0.300 2 680 65 65 LEU CG C 26.970 0.300 1 681 65 65 LEU N N 124.777 0.300 1 682 66 66 ASP H H 8.535 0.030 1 683 66 66 ASP HA H 4.897 0.030 1 684 66 66 ASP HB2 H 2.696 0.030 2 685 66 66 ASP HB3 H 2.527 0.030 2 686 66 66 ASP C C 176.964 0.300 1 687 66 66 ASP CA C 54.594 0.300 1 688 66 66 ASP CB C 40.944 0.300 1 689 66 66 ASP N N 121.119 0.300 1 690 67 67 VAL H H 8.539 0.030 1 691 67 67 VAL HA H 4.420 0.030 1 692 67 67 VAL HB H 2.260 0.030 1 693 67 67 VAL HG1 H 0.919 0.030 1 694 67 67 VAL HG2 H 0.834 0.030 1 695 67 67 VAL C C 175.207 0.300 1 696 67 67 VAL CA C 61.250 0.300 1 697 67 67 VAL CB C 32.403 0.300 1 698 67 67 VAL CG1 C 22.031 0.300 2 699 67 67 VAL CG2 C 19.706 0.300 2 700 67 67 VAL N N 119.308 0.300 1 701 68 68 SER H H 8.370 0.030 1 702 68 68 SER HA H 4.367 0.030 1 703 68 68 SER HB2 H 4.070 0.030 2 704 68 68 SER HB3 H 3.987 0.030 2 705 68 68 SER C C 173.805 0.300 1 706 68 68 SER CA C 58.508 0.300 1 707 68 68 SER CB C 63.700 0.300 1 708 68 68 SER N N 115.642 0.300 1 709 69 69 ASP H H 8.617 0.030 1 710 69 69 ASP HA H 4.503 0.030 1 711 69 69 ASP HB2 H 2.801 0.030 2 712 69 69 ASP HB3 H 2.658 0.030 2 713 69 69 ASP C C 175.819 0.300 1 714 69 69 ASP CA C 55.460 0.300 1 715 69 69 ASP CB C 40.721 0.300 1 716 69 69 ASP N N 118.963 0.300 1 717 70 70 GLU H H 8.425 0.030 1 718 70 70 GLU HA H 4.218 0.030 1 719 70 70 GLU HB2 H 2.132 0.030 2 720 70 70 GLU HB3 H 2.012 0.030 2 721 70 70 GLU HG2 H 2.206 0.030 1 722 70 70 GLU HG3 H 2.206 0.030 1 723 70 70 GLU C C 175.749 0.300 1 724 70 70 GLU CA C 56.812 0.300 1 725 70 70 GLU CB C 29.854 0.300 1 726 70 70 GLU CG C 36.463 0.300 1 727 70 70 GLU N N 115.756 0.300 1 728 71 71 LYS H H 7.676 0.030 1 729 71 71 LYS HA H 4.591 0.030 1 730 71 71 LYS HB2 H 1.765 0.030 2 731 71 71 LYS HB3 H 1.710 0.030 2 732 71 71 LYS HD2 H 1.662 0.030 1 733 71 71 LYS HD3 H 1.662 0.030 1 734 71 71 LYS HE2 H 2.996 0.030 1 735 71 71 LYS HE3 H 2.996 0.030 1 736 71 71 LYS HG2 H 1.397 0.030 2 737 71 71 LYS HG3 H 1.341 0.030 2 738 71 71 LYS C C 175.237 0.300 1 739 71 71 LYS CA C 55.593 0.300 1 740 71 71 LYS CB C 34.718 0.300 1 741 71 71 LYS CD C 28.950 0.300 1 742 71 71 LYS CE C 42.291 0.300 1 743 71 71 LYS CG C 24.744 0.300 1 744 71 71 LYS N N 119.849 0.300 1 745 72 72 MET H H 8.445 0.030 1 746 72 72 MET HA H 5.057 0.030 1 747 72 72 MET HB2 H 1.954 0.030 2 748 72 72 MET HB3 H 1.893 0.030 2 749 72 72 MET HE H 1.957 0.030 1 750 72 72 MET HG2 H 2.532 0.030 2 751 72 72 MET HG3 H 2.427 0.030 2 752 72 72 MET C C 175.297 0.300 1 753 72 72 MET CA C 54.578 0.300 1 754 72 72 MET CB C 34.606 0.300 1 755 72 72 MET CE C 17.022 0.300 1 756 72 72 MET CG C 32.156 0.300 1 757 72 72 MET N N 122.091 0.300 1 758 73 73 ALA H H 9.044 0.030 1 759 73 73 ALA HA H 4.596 0.030 1 760 73 73 ALA HB H 1.333 0.030 1 761 73 73 ALA C C 175.254 0.300 1 762 73 73 ALA CA C 51.343 0.300 1 763 73 73 ALA CB C 23.678 0.300 1 764 73 73 ALA N N 123.972 0.300 1 765 74 74 MET H H 8.490 0.030 1 766 74 74 MET HA H 5.249 0.030 1 767 74 74 MET HB2 H 1.968 0.030 1 768 74 74 MET HB3 H 1.968 0.030 1 769 74 74 MET HE H 1.959 0.030 1 770 74 74 MET HG2 H 2.351 0.030 1 771 74 74 MET HG3 H 2.351 0.030 1 772 74 74 MET C C 177.136 0.300 1 773 74 74 MET CA C 55.071 0.300 1 774 74 74 MET CB C 33.246 0.300 1 775 74 74 MET CE C 16.552 0.300 1 776 74 74 MET CG C 31.647 0.300 1 777 74 74 MET N N 121.100 0.300 1 778 75 75 PHE H H 9.762 0.030 1 779 75 75 PHE HA H 4.978 0.030 1 780 75 75 PHE HB2 H 2.971 0.030 2 781 75 75 PHE HB3 H 2.479 0.030 2 782 75 75 PHE HD1 H 7.085 0.030 1 783 75 75 PHE HD2 H 7.085 0.030 1 784 75 75 PHE HE1 H 6.953 0.030 1 785 75 75 PHE HE2 H 6.953 0.030 1 786 75 75 PHE HZ H 6.877 0.030 1 787 75 75 PHE C C 173.921 0.300 1 788 75 75 PHE CA C 56.796 0.300 1 789 75 75 PHE CB C 41.771 0.300 1 790 75 75 PHE CD1 C 131.481 0.300 1 791 75 75 PHE CD2 C 131.481 0.300 1 792 75 75 PHE CE1 C 130.962 0.300 1 793 75 75 PHE CE2 C 130.962 0.300 1 794 75 75 PHE CZ C 128.812 0.300 1 795 75 75 PHE N N 130.438 0.300 1 796 76 76 SER H H 9.143 0.030 1 797 76 76 SER HA H 5.647 0.030 1 798 76 76 SER HB2 H 3.722 0.030 2 799 76 76 SER HB3 H 3.522 0.030 2 800 76 76 SER C C 173.474 0.300 1 801 76 76 SER CA C 56.783 0.300 1 802 76 76 SER CB C 65.179 0.300 1 803 76 76 SER N N 117.389 0.300 1 804 77 77 LEU H H 9.857 0.030 1 805 77 77 LEU HA H 4.697 0.030 1 806 77 77 LEU HB2 H 1.592 0.030 2 807 77 77 LEU HB3 H 1.357 0.030 2 808 77 77 LEU HD1 H 0.737 0.030 1 809 77 77 LEU HD2 H 0.931 0.030 1 810 77 77 LEU HG H 1.642 0.030 1 811 77 77 LEU C C 173.956 0.300 1 812 77 77 LEU CA C 55.470 0.300 1 813 77 77 LEU CB C 42.481 0.300 1 814 77 77 LEU CD1 C 27.223 0.300 2 815 77 77 LEU CD2 C 24.988 0.300 2 816 77 77 LEU CG C 29.927 0.300 1 817 77 77 LEU N N 127.857 0.300 1 818 78 78 ALA H H 8.766 0.030 1 819 78 78 ALA HA H 4.805 0.030 1 820 78 78 ALA HB H 1.426 0.030 1 821 78 78 ALA C C 176.676 0.300 1 822 78 78 ALA CA C 51.554 0.300 1 823 78 78 ALA CB C 19.559 0.300 1 824 78 78 ALA N N 128.834 0.300 1 825 79 79 CYS H H 9.206 0.030 1 826 79 79 CYS HA H 4.778 0.030 1 827 79 79 CYS HB2 H 1.598 0.030 2 828 79 79 CYS HB3 H 1.400 0.030 2 829 79 79 CYS C C 172.403 0.300 1 830 79 79 CYS CA C 57.550 0.300 1 831 79 79 CYS CB C 29.643 0.300 1 832 79 79 CYS N N 123.920 0.300 1 833 80 80 ILE H H 8.662 0.030 1 834 80 80 ILE HA H 4.731 0.030 1 835 80 80 ILE HB H 1.492 0.030 1 836 80 80 ILE HD1 H 0.288 0.030 1 837 80 80 ILE HG12 H 1.072 0.030 2 838 80 80 ILE HG13 H 0.298 0.030 2 839 80 80 ILE HG2 H 0.411 0.030 1 840 80 80 ILE CA C 59.849 0.300 1 841 80 80 ILE CB C 40.149 0.300 1 842 80 80 ILE CD1 C 13.274 0.300 1 843 80 80 ILE CG1 C 28.537 0.300 1 844 80 80 ILE CG2 C 18.094 0.300 1 845 80 80 ILE N N 123.866 0.300 1 846 81 81 LEU H H 8.809 0.030 1 847 81 81 LEU HA H 4.509 0.030 1 848 81 81 LEU HB2 H 1.905 0.030 2 849 81 81 LEU HB3 H 0.854 0.030 2 850 81 81 LEU HD1 H 0.882 0.030 1 851 81 81 LEU HD2 H 0.050 0.030 1 852 81 81 LEU HG H 1.335 0.030 1 853 81 81 LEU CA C 50.386 0.300 1 854 81 81 LEU CB C 40.053 0.300 1 855 81 81 LEU CD1 C 24.495 0.300 2 856 81 81 LEU CD2 C 21.291 0.300 2 857 81 81 LEU CG C 26.486 0.300 1 858 81 81 LEU N N 125.806 0.300 1 859 82 82 PRO HA H 4.040 0.030 1 860 82 82 PRO HB2 H 2.406 0.030 2 861 82 82 PRO HB3 H 1.539 0.030 2 862 82 82 PRO HD2 H 4.361 0.030 2 863 82 82 PRO HD3 H 3.367 0.030 2 864 82 82 PRO HG2 H 2.208 0.030 2 865 82 82 PRO HG3 H 1.962 0.030 2 866 82 82 PRO C C 176.592 0.300 1 867 82 82 PRO CA C 62.220 0.300 1 868 82 82 PRO CB C 32.647 0.300 1 869 82 82 PRO CD C 51.984 0.300 1 870 82 82 PRO CG C 27.376 0.300 1 871 83 83 PHE H H 8.181 0.030 1 872 83 83 PHE HA H 4.462 0.030 1 873 83 83 PHE HB2 H 3.306 0.030 2 874 83 83 PHE HB3 H 2.973 0.030 2 875 83 83 PHE HD1 H 7.268 0.030 1 876 83 83 PHE HD2 H 7.268 0.030 1 877 83 83 PHE HE1 H 7.180 0.030 1 878 83 83 PHE HE2 H 7.180 0.030 1 879 83 83 PHE HZ H 6.897 0.030 1 880 83 83 PHE C C 178.048 0.300 1 881 83 83 PHE CA C 60.494 0.300 1 882 83 83 PHE CB C 37.699 0.300 1 883 83 83 PHE CD1 C 130.487 0.300 1 884 83 83 PHE CD2 C 130.487 0.300 1 885 83 83 PHE CE1 C 131.695 0.300 1 886 83 83 PHE CE2 C 131.695 0.300 1 887 83 83 PHE CZ C 129.786 0.300 1 888 83 83 PHE N N 121.005 0.300 1 889 84 84 LYS H H 8.097 0.030 1 890 84 84 LYS HA H 4.411 0.030 1 891 84 84 LYS HB2 H 2.063 0.030 2 892 84 84 LYS HB3 H 1.598 0.030 2 893 84 84 LYS HD2 H 1.677 0.030 1 894 84 84 LYS HD3 H 1.677 0.030 1 895 84 84 LYS HE2 H 2.973 0.030 1 896 84 84 LYS HE3 H 2.973 0.030 1 897 84 84 LYS HG2 H 1.537 0.030 2 898 84 84 LYS HG3 H 1.473 0.030 2 899 84 84 LYS C C 176.730 0.300 1 900 84 84 LYS CA C 55.889 0.300 1 901 84 84 LYS CB C 32.878 0.300 1 902 84 84 LYS CD C 29.254 0.300 1 903 84 84 LYS CE C 42.341 0.300 1 904 84 84 LYS CG C 26.136 0.300 1 905 84 84 LYS N N 111.174 0.300 1 906 85 85 TYR H H 7.471 0.030 1 907 85 85 TYR HA H 4.791 0.030 1 908 85 85 TYR HB2 H 2.822 0.030 2 909 85 85 TYR HB3 H 3.084 0.030 2 910 85 85 TYR HD1 H 7.717 0.030 3 911 85 85 TYR HD2 H 6.941 0.030 3 912 85 85 TYR HE1 H 7.025 0.030 3 913 85 85 TYR HE2 H 7.194 0.030 3 914 85 85 TYR C C 174.853 0.300 1 915 85 85 TYR CA C 57.057 0.300 1 916 85 85 TYR CB C 38.075 0.300 1 917 85 85 TYR CD1 C 133.937 0.300 3 918 85 85 TYR CD2 C 134.015 0.300 3 919 85 85 TYR CE1 C 119.185 0.300 3 920 85 85 TYR CE2 C 118.732 0.300 3 921 85 85 TYR N N 123.183 0.300 1 922 86 86 PRO HA H 4.181 0.030 1 923 86 86 PRO HB2 H 1.538 0.030 2 924 86 86 PRO HB3 H 0.437 0.030 2 925 86 86 PRO HD2 H 3.376 0.030 2 926 86 86 PRO HD3 H 3.095 0.030 2 927 86 86 PRO HG2 H 1.564 0.030 2 928 86 86 PRO HG3 H 1.398 0.030 2 929 86 86 PRO C C 175.080 0.300 1 930 86 86 PRO CA C 63.700 0.300 1 931 86 86 PRO CB C 32.860 0.300 1 932 86 86 PRO CD C 49.407 0.300 1 933 86 86 PRO CG C 24.513 0.300 1 934 87 87 ALA H H 9.110 0.030 1 935 87 87 ALA HA H 4.108 0.030 1 936 87 87 ALA HB H 1.515 0.030 1 937 87 87 ALA C C 178.189 0.300 1 938 87 87 ALA CA C 55.040 0.300 1 939 87 87 ALA CB C 18.242 0.300 1 940 87 87 ALA N N 128.156 0.300 1 941 88 88 VAL H H 6.839 0.030 1 942 88 88 VAL HA H 4.409 0.030 1 943 88 88 VAL HB H 2.161 0.030 1 944 88 88 VAL HG1 H 0.906 0.030 1 945 88 88 VAL HG2 H 0.667 0.030 1 946 88 88 VAL C C 173.944 0.300 1 947 88 88 VAL CA C 58.220 0.300 1 948 88 88 VAL CB C 34.314 0.300 1 949 88 88 VAL CG1 C 21.339 0.300 2 950 88 88 VAL CG2 C 18.866 0.300 2 951 88 88 VAL N N 108.285 0.300 1 952 89 89 LEU H H 7.948 0.030 1 953 89 89 LEU HA H 4.469 0.030 1 954 89 89 LEU HB2 H 1.649 0.030 2 955 89 89 LEU HB3 H 1.571 0.030 2 956 89 89 LEU HD1 H 0.929 0.030 1 957 89 89 LEU HD2 H 0.947 0.030 1 958 89 89 LEU HG H 1.786 0.030 1 959 89 89 LEU C C 175.169 0.300 1 960 89 89 LEU CA C 53.608 0.300 1 961 89 89 LEU CB C 41.286 0.300 1 962 89 89 LEU CD1 C 26.209 0.300 2 963 89 89 LEU CD2 C 23.774 0.300 2 964 89 89 LEU CG C 27.735 0.300 1 965 89 89 LEU N N 119.537 0.300 1 966 90 90 PRO HA H 4.426 0.030 1 967 90 90 PRO HB2 H 1.537 0.030 2 968 90 90 PRO HB3 H 1.329 0.030 2 969 90 90 PRO HD2 H 3.925 0.030 2 970 90 90 PRO HD3 H 3.610 0.030 2 971 90 90 PRO HG2 H 2.074 0.030 2 972 90 90 PRO HG3 H 1.734 0.030 2 973 90 90 PRO C C 174.380 0.300 1 974 90 90 PRO CA C 61.871 0.300 1 975 90 90 PRO CB C 31.418 0.300 1 976 90 90 PRO CD C 48.871 0.300 1 977 90 90 PRO CG C 26.206 0.300 1 978 91 91 GLU H H 8.183 0.030 1 979 91 91 GLU HA H 4.373 0.030 1 980 91 91 GLU HB2 H 1.955 0.030 2 981 91 91 GLU HB3 H 1.816 0.030 2 982 91 91 GLU HG2 H 1.995 0.030 1 983 91 91 GLU HG3 H 1.995 0.030 1 984 91 91 GLU C C 175.119 0.300 1 985 91 91 GLU CA C 55.275 0.300 1 986 91 91 GLU CB C 29.667 0.300 1 987 91 91 GLU CG C 35.520 0.300 1 988 91 91 GLU N N 119.186 0.300 1 989 92 92 ILE H H 8.167 0.030 1 990 92 92 ILE HA H 4.971 0.030 1 991 92 92 ILE HB H 1.485 0.030 1 992 92 92 ILE HD1 H 0.642 0.030 1 993 92 92 ILE HG12 H 1.198 0.030 2 994 92 92 ILE HG13 H 0.823 0.030 2 995 92 92 ILE HG2 H 0.621 0.030 1 996 92 92 ILE C C 175.629 0.300 1 997 92 92 ILE CA C 59.931 0.300 1 998 92 92 ILE CB C 41.130 0.300 1 999 92 92 ILE CD1 C 14.385 0.300 1 1000 92 92 ILE CG1 C 26.430 0.300 1 1001 92 92 ILE CG2 C 16.975 0.300 1 1002 92 92 ILE N N 124.940 0.300 1 1003 93 93 THR H H 8.799 0.030 1 1004 93 93 THR HA H 4.463 0.030 1 1005 93 93 THR HB H 3.915 0.030 1 1006 93 93 THR HG2 H 1.048 0.030 1 1007 93 93 THR C C 173.650 0.300 1 1008 93 93 THR CA C 61.476 0.300 1 1009 93 93 THR CB C 70.718 0.300 1 1010 93 93 THR CG2 C 21.083 0.300 1 1011 93 93 THR N N 122.501 0.300 1 1012 94 94 VAL H H 10.247 0.030 1 1013 94 94 VAL HA H 5.054 0.030 1 1014 94 94 VAL HB H 1.995 0.030 1 1015 94 94 VAL HG1 H 1.006 0.030 1 1016 94 94 VAL HG2 H 0.853 0.030 1 1017 94 94 VAL C C 175.501 0.300 1 1018 94 94 VAL CA C 61.493 0.300 1 1019 94 94 VAL CB C 32.268 0.300 1 1020 94 94 VAL CG1 C 21.937 0.300 2 1021 94 94 VAL CG2 C 22.542 0.300 2 1022 94 94 VAL N N 131.103 0.300 1 1023 95 95 ARG H H 8.957 0.030 1 1024 95 95 ARG HA H 4.780 0.030 1 1025 95 95 ARG HB2 H 1.687 0.030 2 1026 95 95 ARG HB3 H 1.621 0.030 2 1027 95 95 ARG HD2 H 3.092 0.030 1 1028 95 95 ARG HD3 H 3.092 0.030 1 1029 95 95 ARG HG2 H 1.485 0.030 1 1030 95 95 ARG HG3 H 1.485 0.030 1 1031 95 95 ARG C C 175.304 0.300 1 1032 95 95 ARG CA C 54.429 0.300 1 1033 95 95 ARG CB C 34.363 0.300 1 1034 95 95 ARG CD C 43.486 0.300 1 1035 95 95 ARG CG C 28.114 0.300 1 1036 95 95 ARG N N 123.478 0.300 1 1037 96 96 SER H H 7.987 0.030 1 1038 96 96 SER HA H 4.389 0.030 1 1039 96 96 SER HB2 H 3.148 0.030 2 1040 96 96 SER HB3 H 2.554 0.030 2 1041 96 96 SER C C 175.695 0.300 1 1042 96 96 SER CA C 57.990 0.300 1 1043 96 96 SER CB C 65.406 0.300 1 1044 96 96 SER N N 112.429 0.300 1 1045 97 97 VAL H H 8.911 0.030 1 1046 97 97 VAL HA H 4.160 0.030 1 1047 97 97 VAL HB H 2.250 0.030 1 1048 97 97 VAL HG1 H 1.016 0.030 1 1049 97 97 VAL HG2 H 0.987 0.030 1 1050 97 97 VAL C C 176.576 0.300 1 1051 97 97 VAL CA C 63.976 0.300 1 1052 97 97 VAL CB C 31.404 0.300 1 1053 97 97 VAL CG1 C 20.878 0.300 2 1054 97 97 VAL CG2 C 19.731 0.300 2 1055 97 97 VAL N N 125.722 0.300 1 1056 98 98 LEU H H 7.383 0.030 1 1057 98 98 LEU HA H 4.259 0.030 1 1058 98 98 LEU HB2 H 1.706 0.030 2 1059 98 98 LEU HB3 H 1.352 0.030 2 1060 98 98 LEU HD1 H 0.926 0.030 1 1061 98 98 LEU HD2 H 0.864 0.030 1 1062 98 98 LEU HG H 1.621 0.030 1 1063 98 98 LEU C C 176.821 0.300 1 1064 98 98 LEU CA C 55.151 0.300 1 1065 98 98 LEU CB C 42.754 0.300 1 1066 98 98 LEU CD1 C 25.665 0.300 2 1067 98 98 LEU CD2 C 23.761 0.300 2 1068 98 98 LEU CG C 27.473 0.300 1 1069 98 98 LEU N N 117.932 0.300 1 1070 99 99 LEU H H 7.205 0.030 1 1071 99 99 LEU HA H 4.817 0.030 1 1072 99 99 LEU HB2 H 1.974 0.030 2 1073 99 99 LEU HB3 H 1.554 0.030 2 1074 99 99 LEU HD1 H 0.924 0.030 1 1075 99 99 LEU HD2 H 0.908 0.030 1 1076 99 99 LEU HG H 1.505 0.030 1 1077 99 99 LEU C C 177.328 0.300 1 1078 99 99 LEU CA C 53.584 0.300 1 1079 99 99 LEU CB C 43.848 0.300 1 1080 99 99 LEU CD1 C 26.744 0.300 2 1081 99 99 LEU CD2 C 24.532 0.300 2 1082 99 99 LEU CG C 26.646 0.300 1 1083 99 99 LEU N N 116.824 0.300 1 1084 100 100 SER H H 9.032 0.030 1 1085 100 100 SER HA H 4.584 0.030 1 1086 100 100 SER HB2 H 4.413 0.030 2 1087 100 100 SER HB3 H 4.071 0.030 2 1088 100 100 SER CA C 57.054 0.300 1 1089 100 100 SER CB C 64.895 0.300 1 1090 100 100 SER N N 120.136 0.300 1 1091 101 101 ARG HA H 4.114 0.030 1 1092 101 101 ARG HB2 H 1.989 0.030 2 1093 101 101 ARG HB3 H 1.924 0.030 2 1094 101 101 ARG HD2 H 3.269 0.030 1 1095 101 101 ARG HD3 H 3.269 0.030 1 1096 101 101 ARG HG2 H 1.775 0.030 2 1097 101 101 ARG HG3 H 1.722 0.030 2 1098 101 101 ARG CA C 60.205 0.300 1 1099 101 101 ARG CB C 29.684 0.300 1 1100 101 101 ARG CD C 43.234 0.300 1 1101 101 101 ARG CG C 27.226 0.300 1 1102 102 102 SER HA H 4.304 0.030 1 1103 102 102 SER HB2 H 3.981 0.030 1 1104 102 102 SER HB3 H 3.981 0.030 1 1105 102 102 SER C C 177.872 0.300 1 1106 102 102 SER CA C 61.712 0.300 1 1107 102 102 SER CB C 62.360 0.300 1 1108 103 103 GLN H H 7.809 0.030 1 1109 103 103 GLN HA H 4.481 0.030 1 1110 103 103 GLN HB2 H 2.367 0.030 1 1111 103 103 GLN HB3 H 2.367 0.030 1 1112 103 103 GLN HE21 H 6.821 0.030 2 1113 103 103 GLN HE22 H 7.486 0.030 2 1114 103 103 GLN HG2 H 2.616 0.030 1 1115 103 103 GLN HG3 H 2.616 0.030 1 1116 103 103 GLN C C 178.177 0.300 1 1117 103 103 GLN CA C 58.568 0.300 1 1118 103 103 GLN CB C 29.180 0.300 1 1119 103 103 GLN CG C 34.461 0.300 1 1120 103 103 GLN N N 123.503 0.300 1 1121 103 103 GLN NE2 N 110.322 0.300 1 1122 104 104 GLN H H 9.126 0.030 1 1123 104 104 GLN HA H 3.910 0.030 1 1124 104 104 GLN HB2 H 2.366 0.030 2 1125 104 104 GLN HB3 H 2.227 0.030 2 1126 104 104 GLN HE21 H 7.549 0.030 2 1127 104 104 GLN HE22 H 6.878 0.030 2 1128 104 104 GLN HG2 H 2.460 0.030 2 1129 104 104 GLN HG3 H 2.347 0.030 2 1130 104 104 GLN C C 179.054 0.300 1 1131 104 104 GLN CA C 60.200 0.300 1 1132 104 104 GLN CB C 29.080 0.300 1 1133 104 104 GLN CG C 34.873 0.300 1 1134 104 104 GLN N N 119.881 0.300 1 1135 104 104 GLN NE2 N 111.643 0.300 1 1136 105 105 THR H H 8.405 0.030 1 1137 105 105 THR HA H 4.124 0.030 1 1138 105 105 THR HB H 4.366 0.030 1 1139 105 105 THR HG2 H 1.278 0.030 1 1140 105 105 THR C C 176.667 0.300 1 1141 105 105 THR CA C 66.968 0.300 1 1142 105 105 THR CB C 68.729 0.300 1 1143 105 105 THR CG2 C 21.591 0.300 1 1144 105 105 THR N N 118.013 0.300 1 1145 106 106 GLN H H 8.061 0.030 1 1146 106 106 GLN HA H 3.954 0.030 1 1147 106 106 GLN HB2 H 2.392 0.030 1 1148 106 106 GLN HB3 H 2.392 0.030 1 1149 106 106 GLN HE21 H 7.983 0.030 2 1150 106 106 GLN HE22 H 7.064 0.030 2 1151 106 106 GLN HG2 H 2.802 0.030 2 1152 106 106 GLN HG3 H 2.694 0.030 2 1153 106 106 GLN C C 176.807 0.300 1 1154 106 106 GLN CA C 59.223 0.300 1 1155 106 106 GLN CB C 28.783 0.300 1 1156 106 106 GLN CG C 33.961 0.300 1 1157 106 106 GLN N N 123.456 0.300 1 1158 106 106 GLN NE2 N 116.122 0.300 1 1159 107 107 LEU H H 8.476 0.030 1 1160 107 107 LEU HA H 3.369 0.030 1 1161 107 107 LEU HB2 H 1.447 0.030 2 1162 107 107 LEU HB3 H 1.047 0.030 2 1163 107 107 LEU HD1 H 0.782 0.030 1 1164 107 107 LEU HD2 H 0.850 0.030 1 1165 107 107 LEU HG H 1.371 0.030 1 1166 107 107 LEU C C 178.903 0.300 1 1167 107 107 LEU CA C 60.175 0.300 1 1168 107 107 LEU CB C 41.802 0.300 1 1169 107 107 LEU CD1 C 27.816 0.300 2 1170 107 107 LEU CD2 C 25.385 0.300 2 1171 107 107 LEU CG C 28.098 0.300 1 1172 107 107 LEU N N 121.136 0.300 1 1173 108 108 ASN H H 8.083 0.030 1 1174 108 108 ASN HA H 4.246 0.030 1 1175 108 108 ASN HB2 H 2.926 0.030 2 1176 108 108 ASN HB3 H 2.843 0.030 2 1177 108 108 ASN HD21 H 7.940 0.030 2 1178 108 108 ASN HD22 H 7.577 0.030 2 1179 108 108 ASN C C 178.264 0.300 1 1180 108 108 ASN CA C 58.007 0.300 1 1181 108 108 ASN CB C 39.276 0.300 1 1182 108 108 ASN N N 116.512 0.300 1 1183 108 108 ASN ND2 N 114.118 0.300 1 1184 109 109 THR H H 8.506 0.030 1 1185 109 109 THR HA H 3.921 0.030 1 1186 109 109 THR HB H 4.416 0.030 1 1187 109 109 THR HG2 H 1.290 0.030 1 1188 109 109 THR C C 176.290 0.300 1 1189 109 109 THR CA C 67.037 0.300 1 1190 109 109 THR CB C 68.865 0.300 1 1191 109 109 THR CG2 C 21.354 0.300 1 1192 109 109 THR N N 120.227 0.300 1 1193 110 110 ASP H H 8.679 0.030 1 1194 110 110 ASP HA H 4.462 0.030 1 1195 110 110 ASP HB2 H 3.241 0.030 2 1196 110 110 ASP HB3 H 2.852 0.030 2 1197 110 110 ASP C C 178.773 0.300 1 1198 110 110 ASP CA C 57.307 0.300 1 1199 110 110 ASP CB C 39.005 0.300 1 1200 110 110 ASP N N 125.537 0.300 1 1201 111 111 LEU H H 8.613 0.030 1 1202 111 111 LEU HA H 2.530 0.030 1 1203 111 111 LEU HB2 H 1.594 0.030 2 1204 111 111 LEU HB3 H 0.829 0.030 2 1205 111 111 LEU HD1 H 0.609 0.030 1 1206 111 111 LEU HD2 H 0.703 0.030 1 1207 111 111 LEU HG H 1.258 0.030 1 1208 111 111 LEU C C 178.009 0.300 1 1209 111 111 LEU CA C 57.633 0.300 1 1210 111 111 LEU CB C 40.025 0.300 1 1211 111 111 LEU CD1 C 22.029 0.300 2 1212 111 111 LEU CD2 C 26.481 0.300 2 1213 111 111 LEU CG C 27.104 0.300 1 1214 111 111 LEU N N 125.469 0.300 1 1215 112 112 THR H H 7.870 0.030 1 1216 112 112 THR HA H 3.672 0.030 1 1217 112 112 THR HB H 4.251 0.030 1 1218 112 112 THR HG2 H 1.220 0.030 1 1219 112 112 THR CA C 67.910 0.300 1 1220 112 112 THR CB C 68.423 0.300 1 1221 112 112 THR CG2 C 21.536 0.300 1 1222 112 112 THR N N 116.024 0.300 1 1223 113 113 ALA H H 7.913 0.030 1 1224 113 113 ALA HA H 4.130 0.030 1 1225 113 113 ALA HB H 1.531 0.030 1 1226 113 113 ALA CA C 55.183 0.300 1 1227 113 113 ALA CB C 18.085 0.300 1 1228 113 113 ALA N N 122.584 0.300 1 1229 114 114 PHE H H 7.794 0.030 1 1230 114 114 PHE HA H 4.365 0.030 1 1231 114 114 PHE HB2 H 3.012 0.030 2 1232 114 114 PHE HB3 H 2.821 0.030 2 1233 114 114 PHE HD1 H 7.071 0.030 1 1234 114 114 PHE HD2 H 7.071 0.030 1 1235 114 114 PHE HE1 H 7.110 0.030 1 1236 114 114 PHE HE2 H 7.110 0.030 1 1237 114 114 PHE C C 177.689 0.300 1 1238 114 114 PHE CA C 61.499 0.300 1 1239 114 114 PHE CB C 38.351 0.300 1 1240 114 114 PHE CD1 C 132.251 0.300 1 1241 114 114 PHE CD2 C 132.251 0.300 1 1242 114 114 PHE CE1 C 131.265 0.300 1 1243 114 114 PHE CE2 C 131.265 0.300 1 1244 114 114 PHE N N 120.639 0.300 1 1245 115 115 LEU H H 8.509 0.030 1 1246 115 115 LEU HA H 3.712 0.030 1 1247 115 115 LEU HB2 H 2.032 0.030 2 1248 115 115 LEU HB3 H 1.436 0.030 2 1249 115 115 LEU HD1 H 0.873 0.030 1 1250 115 115 LEU HD2 H 0.952 0.030 1 1251 115 115 LEU HG H 2.041 0.030 1 1252 115 115 LEU C C 179.412 0.300 1 1253 115 115 LEU CA C 58.027 0.300 1 1254 115 115 LEU CB C 41.774 0.300 1 1255 115 115 LEU CD1 C 26.184 0.300 2 1256 115 115 LEU CD2 C 22.276 0.300 2 1257 115 115 LEU CG C 26.241 0.300 1 1258 115 115 LEU N N 120.433 0.300 1 1259 116 116 GLN H H 8.560 0.030 1 1260 116 116 GLN HA H 3.906 0.030 1 1261 116 116 GLN HB2 H 2.203 0.030 2 1262 116 116 GLN HB3 H 2.057 0.030 2 1263 116 116 GLN HE21 H 7.279 0.030 2 1264 116 116 GLN HE22 H 6.633 0.030 2 1265 116 116 GLN HG2 H 2.410 0.030 2 1266 116 116 GLN HG3 H 2.322 0.030 2 1267 116 116 GLN C C 177.552 0.300 1 1268 116 116 GLN CA C 58.787 0.300 1 1269 116 116 GLN CB C 28.559 0.300 1 1270 116 116 GLN CG C 33.884 0.300 1 1271 116 116 GLN N N 117.155 0.300 1 1272 116 116 GLN NE2 N 111.356 0.300 1 1273 117 117 LYS H H 7.514 0.030 1 1274 117 117 LYS HA H 4.046 0.030 1 1275 117 117 LYS HB2 H 1.717 0.030 2 1276 117 117 LYS HB3 H 1.507 0.030 2 1277 117 117 LYS HD2 H 1.583 0.030 1 1278 117 117 LYS HD3 H 1.583 0.030 1 1279 117 117 LYS HE2 H 2.920 0.030 1 1280 117 117 LYS HE3 H 2.920 0.030 1 1281 117 117 LYS HG2 H 1.153 0.030 2 1282 117 117 LYS HG3 H 0.789 0.030 2 1283 117 117 LYS C C 178.162 0.300 1 1284 117 117 LYS CA C 58.273 0.300 1 1285 117 117 LYS CB C 33.415 0.300 1 1286 117 117 LYS CD C 29.151 0.300 1 1287 117 117 LYS CE C 42.126 0.300 1 1288 117 117 LYS CG C 24.810 0.300 1 1289 117 117 LYS N N 116.330 0.300 1 1290 118 118 HIS H H 7.905 0.030 1 1291 118 118 HIS HA H 4.608 0.030 1 1292 118 118 HIS HB2 H 2.986 0.030 2 1293 118 118 HIS HB3 H 2.310 0.030 2 1294 118 118 HIS HD2 H 6.692 0.030 1 1295 118 118 HIS C C 176.797 0.300 1 1296 118 118 HIS CA C 57.911 0.300 1 1297 118 118 HIS CB C 32.237 0.300 1 1298 118 118 HIS CD2 C 123.375 0.300 1 1299 118 118 HIS N N 113.542 0.300 1 1300 119 119 CYS H H 8.148 0.030 1 1301 119 119 CYS HA H 4.695 0.030 1 1302 119 119 CYS HB2 H 3.345 0.030 2 1303 119 119 CYS HB3 H 2.759 0.030 2 1304 119 119 CYS C C 174.114 0.300 1 1305 119 119 CYS CA C 58.626 0.300 1 1306 119 119 CYS CB C 30.124 0.300 1 1307 119 119 CYS N N 116.689 0.300 1 1308 120 120 HIS H H 7.817 0.030 1 1309 120 120 HIS HA H 4.366 0.030 1 1310 120 120 HIS HB2 H 3.170 0.030 1 1311 120 120 HIS HB3 H 3.170 0.030 1 1312 120 120 HIS HD2 H 6.956 0.030 1 1313 120 120 HIS C C 176.165 0.300 1 1314 120 120 HIS CA C 57.126 0.300 1 1315 120 120 HIS CB C 30.227 0.300 1 1316 120 120 HIS CD2 C 119.677 0.300 1 1317 120 120 HIS N N 120.526 0.300 1 1318 121 121 GLY H H 8.820 0.030 1 1319 121 121 GLY HA2 H 4.119 0.030 2 1320 121 121 GLY HA3 H 3.562 0.030 2 1321 121 121 GLY C C 173.007 0.300 1 1322 121 121 GLY CA C 45.611 0.300 1 1323 121 121 GLY N N 114.886 0.300 1 1324 122 122 ASP H H 7.704 0.030 1 1325 122 122 ASP HA H 4.866 0.030 1 1326 122 122 ASP HB2 H 2.743 0.030 2 1327 122 122 ASP HB3 H 2.423 0.030 2 1328 122 122 ASP C C 175.965 0.300 1 1329 122 122 ASP CA C 51.855 0.300 1 1330 122 122 ASP CB C 43.884 0.300 1 1331 122 122 ASP N N 118.851 0.300 1 1332 123 123 VAL H H 8.525 0.030 1 1333 123 123 VAL HA H 4.133 0.030 1 1334 123 123 VAL HB H 2.862 0.030 1 1335 123 123 VAL HG1 H 0.922 0.030 1 1336 123 123 VAL HG2 H 0.939 0.030 1 1337 123 123 VAL C C 178.343 0.300 1 1338 123 123 VAL CA C 62.797 0.300 1 1339 123 123 VAL CB C 29.733 0.300 1 1340 123 123 VAL CG1 C 22.162 0.300 2 1341 123 123 VAL CG2 C 17.765 0.300 2 1342 123 123 VAL N N 114.904 0.300 1 1343 124 124 CYS H H 9.143 0.030 1 1344 124 124 CYS HA H 5.694 0.030 1 1345 124 124 CYS HB2 H 3.447 0.030 2 1346 124 124 CYS HB3 H 2.890 0.030 2 1347 124 124 CYS C C 175.275 0.300 1 1348 124 124 CYS CA C 57.740 0.300 1 1349 124 124 CYS CB C 30.816 0.300 1 1350 124 124 CYS N N 116.334 0.300 1 1351 125 125 ILE H H 10.037 0.030 1 1352 125 125 ILE HA H 3.907 0.030 1 1353 125 125 ILE HB H 2.409 0.030 1 1354 125 125 ILE HD1 H 0.625 0.030 1 1355 125 125 ILE HG12 H 2.423 0.030 2 1356 125 125 ILE HG13 H 1.477 0.030 2 1357 125 125 ILE HG2 H 1.054 0.030 1 1358 125 125 ILE C C 179.612 0.300 1 1359 125 125 ILE CA C 63.687 0.300 1 1360 125 125 ILE CB C 33.847 0.300 1 1361 125 125 ILE CD1 C 8.379 0.300 1 1362 125 125 ILE CG1 C 26.949 0.300 1 1363 125 125 ILE CG2 C 19.546 0.300 1 1364 125 125 ILE N N 126.709 0.300 1 1365 126 126 LEU H H 9.253 0.030 1 1366 126 126 LEU HA H 4.409 0.030 1 1367 126 126 LEU HB2 H 1.732 0.030 1 1368 126 126 LEU HB3 H 1.732 0.030 1 1369 126 126 LEU HD1 H 0.988 0.030 1 1370 126 126 LEU HD2 H 1.017 0.030 1 1371 126 126 LEU HG H 1.765 0.030 1 1372 126 126 LEU C C 180.998 0.300 1 1373 126 126 LEU CA C 58.485 0.300 1 1374 126 126 LEU CB C 40.708 0.300 1 1375 126 126 LEU CD1 C 25.219 0.300 2 1376 126 126 LEU CD2 C 24.754 0.300 2 1377 126 126 LEU CG C 27.490 0.300 1 1378 126 126 LEU N N 120.451 0.300 1 1379 127 127 ASN H H 8.394 0.030 1 1380 127 127 ASN HA H 4.552 0.030 1 1381 127 127 ASN HB2 H 2.935 0.030 2 1382 127 127 ASN HB3 H 2.826 0.030 2 1383 127 127 ASN HD21 H 7.780 0.030 2 1384 127 127 ASN HD22 H 7.115 0.030 2 1385 127 127 ASN C C 178.299 0.300 1 1386 127 127 ASN CA C 56.561 0.300 1 1387 127 127 ASN CB C 38.044 0.300 1 1388 127 127 ASN N N 117.960 0.300 1 1389 127 127 ASN ND2 N 112.366 0.300 1 1390 128 128 ALA H H 8.539 0.030 1 1391 128 128 ALA HA H 4.263 0.030 1 1392 128 128 ALA HB H 1.665 0.030 1 1393 128 128 ALA C C 179.377 0.300 1 1394 128 128 ALA CA C 55.590 0.300 1 1395 128 128 ALA CB C 18.587 0.300 1 1396 128 128 ALA N N 123.020 0.300 1 1397 129 129 THR H H 8.836 0.030 1 1398 129 129 THR HA H 3.964 0.030 1 1399 129 129 THR HB H 4.475 0.030 1 1400 129 129 THR HG2 H 1.439 0.030 1 1401 129 129 THR C C 176.972 0.300 1 1402 129 129 THR CA C 66.357 0.300 1 1403 129 129 THR CB C 68.709 0.300 1 1404 129 129 THR CG2 C 23.100 0.300 1 1405 129 129 THR N N 110.362 0.300 1 1406 130 130 GLU H H 8.048 0.030 1 1407 130 130 GLU HA H 4.132 0.030 1 1408 130 130 GLU HB2 H 2.234 0.030 2 1409 130 130 GLU HB3 H 2.142 0.030 2 1410 130 130 GLU HG2 H 2.452 0.030 2 1411 130 130 GLU HG3 H 2.324 0.030 2 1412 130 130 GLU C C 178.787 0.300 1 1413 130 130 GLU CA C 58.908 0.300 1 1414 130 130 GLU CB C 29.595 0.300 1 1415 130 130 GLU CG C 36.482 0.300 1 1416 130 130 GLU N N 122.454 0.300 1 1417 131 131 TRP H H 8.300 0.030 1 1418 131 131 TRP HA H 4.025 0.030 1 1419 131 131 TRP HB2 H 3.409 0.030 2 1420 131 131 TRP HB3 H 2.800 0.030 2 1421 131 131 TRP HD1 H 5.168 0.030 1 1422 131 131 TRP HE1 H 9.623 0.030 1 1423 131 131 TRP HE3 H 7.201 0.030 1 1424 131 131 TRP HH2 H 7.337 0.030 1 1425 131 131 TRP HZ2 H 7.008 0.030 1 1426 131 131 TRP HZ3 H 6.601 0.030 1 1427 131 131 TRP C C 180.302 0.300 1 1428 131 131 TRP CA C 62.598 0.300 1 1429 131 131 TRP CB C 29.240 0.300 1 1430 131 131 TRP CD1 C 127.384 0.300 1 1431 131 131 TRP CE3 C 120.918 0.300 1 1432 131 131 TRP CH2 C 124.942 0.300 1 1433 131 131 TRP CZ2 C 113.528 0.300 1 1434 131 131 TRP CZ3 C 119.623 0.300 1 1435 131 131 TRP N N 122.336 0.300 1 1436 131 131 TRP NE1 N 129.673 0.300 1 1437 132 132 VAL H H 8.639 0.030 1 1438 132 132 VAL HA H 3.430 0.030 1 1439 132 132 VAL HB H 2.320 0.030 1 1440 132 132 VAL HG1 H 0.762 0.030 1 1441 132 132 VAL HG2 H 1.369 0.030 1 1442 132 132 VAL C C 176.819 0.300 1 1443 132 132 VAL CA C 67.878 0.300 1 1444 132 132 VAL CB C 31.594 0.300 1 1445 132 132 VAL CG1 C 21.790 0.300 2 1446 132 132 VAL CG2 C 25.025 0.300 2 1447 132 132 VAL N N 120.131 0.300 1 1448 133 133 ARG H H 8.330 0.030 1 1449 133 133 ARG HA H 3.778 0.030 1 1450 133 133 ARG HB2 H 1.913 0.030 1 1451 133 133 ARG HB3 H 1.913 0.030 1 1452 133 133 ARG HD2 H 3.316 0.030 2 1453 133 133 ARG HD3 H 3.222 0.030 2 1454 133 133 ARG HG2 H 1.746 0.030 2 1455 133 133 ARG HG3 H 1.511 0.030 2 1456 133 133 ARG C C 178.445 0.300 1 1457 133 133 ARG CA C 60.061 0.300 1 1458 133 133 ARG CB C 30.076 0.300 1 1459 133 133 ARG CD C 43.156 0.300 1 1460 133 133 ARG CG C 27.369 0.300 1 1461 133 133 ARG N N 119.128 0.300 1 1462 134 134 GLU H H 7.611 0.030 1 1463 134 134 GLU HA H 3.906 0.030 1 1464 134 134 GLU HB2 H 1.653 0.030 2 1465 134 134 GLU HB3 H 1.275 0.030 2 1466 134 134 GLU HG2 H 1.898 0.030 2 1467 134 134 GLU HG3 H 1.464 0.030 2 1468 134 134 GLU C C 177.899 0.300 1 1469 134 134 GLU CA C 57.992 0.300 1 1470 134 134 GLU CB C 30.275 0.300 1 1471 134 134 GLU CG C 35.450 0.300 1 1472 134 134 GLU N N 115.667 0.300 1 1473 135 135 HIS H H 7.825 0.030 1 1474 135 135 HIS HA H 4.389 0.030 1 1475 135 135 HIS HB2 H 2.588 0.030 2 1476 135 135 HIS HB3 H 1.214 0.030 2 1477 135 135 HIS HD2 H 5.966 0.030 1 1478 135 135 HIS C C 176.867 0.300 1 1479 135 135 HIS CA C 57.287 0.300 1 1480 135 135 HIS CB C 29.667 0.300 1 1481 135 135 HIS CD2 C 120.663 0.300 1 1482 135 135 HIS N N 112.511 0.300 1 1483 136 136 ALA H H 8.662 0.030 1 1484 136 136 ALA HA H 3.870 0.030 1 1485 136 136 ALA HB H 0.796 0.030 1 1486 136 136 ALA C C 179.121 0.300 1 1487 136 136 ALA CA C 57.018 0.300 1 1488 136 136 ALA CB C 18.759 0.300 1 1489 136 136 ALA N N 123.869 0.300 1 1490 137 137 SER H H 8.883 0.030 1 1491 137 137 SER HA H 3.923 0.030 1 1492 137 137 SER HB2 H 3.980 0.030 2 1493 137 137 SER HB3 H 3.856 0.030 2 1494 137 137 SER C C 176.781 0.300 1 1495 137 137 SER CA C 61.444 0.300 1 1496 137 137 SER CB C 62.352 0.300 1 1497 137 137 SER N N 109.540 0.300 1 1498 138 138 GLY H H 7.815 0.030 1 1499 138 138 GLY HA2 H 3.992 0.030 2 1500 138 138 GLY HA3 H 3.758 0.030 2 1501 138 138 GLY C C 174.956 0.300 1 1502 138 138 GLY CA C 46.071 0.300 1 1503 138 138 GLY N N 107.949 0.300 1 1504 139 139 TYR H H 7.854 0.030 1 1505 139 139 TYR HA H 4.360 0.030 1 1506 139 139 TYR HB2 H 3.168 0.030 2 1507 139 139 TYR HB3 H 2.936 0.030 2 1508 139 139 TYR HD1 H 7.398 0.030 1 1509 139 139 TYR HD2 H 7.398 0.030 1 1510 139 139 TYR HE1 H 6.623 0.030 1 1511 139 139 TYR HE2 H 6.623 0.030 1 1512 139 139 TYR C C 175.390 0.300 1 1513 139 139 TYR CA C 59.669 0.300 1 1514 139 139 TYR CB C 39.301 0.300 1 1515 139 139 TYR CD1 C 133.977 0.300 1 1516 139 139 TYR CD2 C 133.977 0.300 1 1517 139 139 TYR CE1 C 117.951 0.300 1 1518 139 139 TYR CE2 C 117.951 0.300 1 1519 139 139 TYR N N 117.221 0.300 1 1520 140 140 VAL H H 7.084 0.030 1 1521 140 140 VAL HA H 4.170 0.030 1 1522 140 140 VAL HB H 2.320 0.030 1 1523 140 140 VAL HG1 H 1.057 0.030 1 1524 140 140 VAL HG2 H 1.080 0.030 1 1525 140 140 VAL C C 176.398 0.300 1 1526 140 140 VAL CA C 62.406 0.300 1 1527 140 140 VAL CB C 32.590 0.300 1 1528 140 140 VAL CG1 C 21.921 0.300 2 1529 140 140 VAL CG2 C 21.107 0.300 2 1530 140 140 VAL N N 114.771 0.300 1 1531 141 141 SER H H 8.376 0.030 1 1532 141 141 SER HA H 4.499 0.030 1 1533 141 141 SER HB2 H 3.918 0.030 1 1534 141 141 SER HB3 H 3.918 0.030 1 1535 141 141 SER C C 174.488 0.300 1 1536 141 141 SER CA C 58.661 0.300 1 1537 141 141 SER CB C 63.795 0.300 1 1538 141 141 SER N N 118.437 0.300 1 1539 142 142 ARG H H 8.298 0.030 1 1540 142 142 ARG HA H 4.398 0.030 1 1541 142 142 ARG HB2 H 1.898 0.030 2 1542 142 142 ARG HB3 H 1.785 0.030 2 1543 142 142 ARG HD2 H 3.186 0.030 1 1544 142 142 ARG HD3 H 3.186 0.030 1 1545 142 142 ARG HG2 H 1.697 0.030 2 1546 142 142 ARG HG3 H 1.630 0.030 2 1547 142 142 ARG C C 176.047 0.300 1 1548 142 142 ARG CA C 56.140 0.300 1 1549 142 142 ARG CB C 31.087 0.300 1 1550 142 142 ARG CD C 43.363 0.300 1 1551 142 142 ARG CG C 27.207 0.300 1 1552 142 142 ARG N N 123.064 0.300 1 1553 143 143 ASP H H 8.447 0.030 1 1554 143 143 ASP HA H 4.719 0.030 1 1555 143 143 ASP HB2 H 2.814 0.030 2 1556 143 143 ASP HB3 H 2.704 0.030 2 1557 143 143 ASP C C 176.744 0.300 1 1558 143 143 ASP CA C 54.306 0.300 1 1559 143 143 ASP CB C 41.321 0.300 1 1560 143 143 ASP N N 121.764 0.300 1 1561 144 144 THR H H 8.279 0.030 1 1562 144 144 THR HA H 4.414 0.030 1 1563 144 144 THR HB H 4.387 0.030 1 1564 144 144 THR HG2 H 1.232 0.030 1 1565 144 144 THR C C 175.152 0.300 1 1566 144 144 THR CA C 61.907 0.300 1 1567 144 144 THR CB C 69.428 0.300 1 1568 144 144 THR CG2 C 21.684 0.300 1 1569 144 144 THR N N 114.792 0.300 1 1570 145 145 SER H H 8.460 0.030 1 1571 145 145 SER C C 174.950 0.300 1 1572 145 145 SER CA C 59.102 0.300 1 1573 145 145 SER CB C 64.089 0.300 1 1574 145 145 SER N N 118.318 0.300 1 stop_ save_