data_6901 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for DUSP domain of HUSP15 ; _BMRB_accession_number 6901 _BMRB_flat_file_name bmr6901.str _Entry_type original _Submission_date 2005-11-14 _Accession_date 2005-11-14 _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 'de Jong' Rob N. . 2 Ab Eiso . . 3 Diercks Tammo . . 4 Truffault Vincent . . 5 Daniels Mark . . 6 Kaptein Robert . . 7 Folkers Gert E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 781 "13C chemical shifts" 586 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-29 original author . stop_ _Original_release_date 2007-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the human Ubiquitin Specific Protease 15 DUSP Domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16298993 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Jong' Rob N. . 2 Ab Eiso . . 3 Diercks Tammo . . 4 Truffault Vincent . . 5 Daniels Mark . . 6 Kaptein Robert . . 7 Folkers Gert E. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5026 _Page_last 5031 _Year 2006 _Details . loop_ _Keyword CLEAVAGE 'DEUBIQUITINATING ENZYME' DEUBIQUITYLATION DUB DUB15 DUSP ENDOPEPTIDASE THIOLESTERASE 'UBIQUITIN CARBOXYTERMINAL HYDROLASE' UBP15 UCH USP USP15 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DUSP DOMAIN OF HUSP1' _Enzyme_commission_number 3.1.2.15 loop_ _Mol_system_component_name _Mol_label 'DUSP DOMAIN OF HUSP1' $DUSP_DOMAIN_OF_HUSP15 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DUSP_DOMAIN_OF_HUSP15 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'DUSP DOMAIN OF HUSP15' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MMAEGGAADLDTQRSDIATL LKTSLRKGDTWYLVDSRWFK QWKKYVGFDSWDKYQMGDQN VYPGPIDNSGLLKDGDAQSL KEHLIDELDYILLPTEGWNK LVSWYTLMEGQEPIARKVVE Q ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 0 MET 22 1 MET 23 2 ALA 24 3 GLU 25 4 GLY 26 5 GLY 27 6 ALA 28 7 ALA 29 8 ASP 30 9 LEU 31 10 ASP 32 11 THR 33 12 GLN 34 13 ARG 35 14 SER 36 15 ASP 37 16 ILE 38 17 ALA 39 18 THR 40 19 LEU 41 20 LEU 42 21 LYS 43 22 THR 44 23 SER 45 24 LEU 46 25 ARG 47 26 LYS 48 27 GLY 49 28 ASP 50 29 THR 51 30 TRP 52 31 TYR 53 32 LEU 54 33 VAL 55 34 ASP 56 35 SER 57 36 ARG 58 37 TRP 59 38 PHE 60 39 LYS 61 40 GLN 62 41 TRP 63 42 LYS 64 43 LYS 65 44 TYR 66 45 VAL 67 46 GLY 68 47 PHE 69 48 ASP 70 49 SER 71 50 TRP 72 51 ASP 73 52 LYS 74 53 TYR 75 54 GLN 76 55 MET 77 56 GLY 78 57 ASP 79 58 GLN 80 59 ASN 81 60 VAL 82 61 TYR 83 62 PRO 84 63 GLY 85 64 PRO 86 65 ILE 87 66 ASP 88 67 ASN 89 68 SER 90 69 GLY 91 70 LEU 92 71 LEU 93 72 LYS 94 73 ASP 95 74 GLY 96 75 ASP 97 76 ALA 98 77 GLN 99 78 SER 100 79 LEU 101 80 LYS 102 81 GLU 103 82 HIS 104 83 LEU 105 84 ILE 106 85 ASP 107 86 GLU 108 87 LEU 109 88 ASP 110 89 TYR 111 90 ILE 112 91 LEU 113 92 LEU 114 93 PRO 115 94 THR 116 95 GLU 117 96 GLY 118 97 TRP 119 98 ASN 120 99 LYS 121 100 LEU 122 101 VAL 123 102 SER 124 103 TRP 125 104 TYR 126 105 THR 127 106 LEU 128 107 MET 129 108 GLU 130 109 GLY 131 110 GLN 132 111 GLU 133 112 PRO 134 113 ILE 135 114 ALA 136 115 ARG 137 116 LYS 138 117 VAL 139 118 VAL 140 119 GLU 141 120 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1W6V "Solution Structure Of The Dusp Domain Of Husp15" 100.00 141 100.00 100.00 5.12e-98 PDB 3LMN "Oligomeric Structure Of The Dusp Domain Of Human Usp15" 85.11 135 100.00 100.00 5.34e-81 PDB 3PV1 "Crystal Structure Of The Usp15 Dusp-Ubl Domains" 85.11 225 100.00 100.00 1.03e-80 PDB 3T9L "Structure Of N-Terminal Dusp-Ubl Domains Of Human Usp15" 85.11 230 100.00 100.00 2.24e-80 PDB 4A3O "Crystal Structure Of The Usp15 Dusp-Ubl Monomer" 82.98 220 99.15 99.15 9.76e-78 PDB 4A3P "Structure Of Usp15 Dusp-Ubl Deletion Mutant" 82.98 217 99.15 99.15 8.49e-78 DBJ BAA25455 "KIAA0529 protein [Homo sapiens]" 85.11 952 100.00 100.00 5.93e-76 DBJ BAB14648 "unnamed protein product [Homo sapiens]" 85.11 235 100.00 100.00 8.47e-81 DBJ BAC38854 "unnamed protein product [Mus musculus]" 85.11 227 100.00 100.00 2.21e-81 DBJ BAC65583 "mKIAA0529 protein [Mus musculus]" 85.11 955 100.00 100.00 6.42e-76 DBJ BAE00919 "unnamed protein product [Macaca fascicularis]" 82.98 150 98.29 99.15 5.36e-78 GB AAD41086 "ubiquitin-specific protease homolog [Homo sapiens]" 85.11 981 100.00 100.00 5.40e-77 GB AAD52099 "deubiquitinating enzyme [Homo sapiens]" 85.11 952 100.00 100.00 5.93e-76 GB AAF14188 "deubiquitinating enzyme Ubp109 [Rattus norvegicus]" 85.11 952 100.00 100.00 5.81e-76 GB AAH20688 "USP15 protein [Homo sapiens]" 85.11 235 100.00 100.00 8.47e-81 GB AAH50042 "Ubiquitin specific peptidase 15 [Mus musculus]" 85.11 981 100.00 100.00 4.56e-77 REF NP_001039895 "ubiquitin carboxyl-terminal hydrolase 15 [Bos taurus]" 85.11 952 98.33 99.17 7.51e-75 REF NP_001239007 "ubiquitin carboxyl-terminal hydrolase 15 isoform 1 [Homo sapiens]" 85.11 981 100.00 100.00 5.40e-77 REF NP_001239008 "ubiquitin carboxyl-terminal hydrolase 15 isoform 3 [Homo sapiens]" 85.11 235 100.00 100.00 8.47e-81 REF NP_001253886 "ubiquitin carboxyl-terminal hydrolase 15 [Macaca mulatta]" 85.11 952 100.00 100.00 5.93e-76 REF NP_001288557 "ubiquitin carboxyl-terminal hydrolase 15 isoform 2 [Mus musculus]" 85.11 952 100.00 100.00 5.53e-76 SP Q2HJE4 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 15; AltName: Full=Deubiquitinating enzyme 15; AltName: Full=Ubiquitin thioe" 85.11 952 98.33 99.17 7.51e-75 SP Q8R5H1 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 15; AltName: Full=Deubiquitinating enzyme 15; AltName: Full=Ubiquitin thioe" 85.11 981 100.00 100.00 5.24e-77 SP Q9R085 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 15; AltName: Full=Deubiquitinating enzyme 15; AltName: Full=Ubiquitin carbo" 85.11 952 100.00 100.00 5.81e-76 SP Q9Y4E8 "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 15; AltName: Full=Deubiquitinating enzyme 15; AltName: Full=Ubiquitin thioe" 85.11 981 100.00 100.00 5.40e-77 TPG DAA29547 "TPA: ubiquitin specific peptidase 15 [Bos taurus]" 85.11 952 98.33 99.17 7.51e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DUSP_DOMAIN_OF_HUSP15 human Eukaryota 9606 Metazoa Homo sapiens . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $DUSP_DOMAIN_OF_HUSP15 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DUSP_DOMAIN_OF_HUSP15 1.5 mM '[U-13C; U-15N]' NaPO4 50 mM . NaCl 0.02 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_(example)_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC_(example) _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 5 mM pH 7.0 0.0 pH pressure 1.0 0.0 atm temperature 298 2.0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'DUSP DOMAIN OF HUSP1' _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 -9 12 SER HA H 4.410 0.020 1 2 -9 12 SER HB2 H 3.840 0.020 1 3 -9 12 SER HB3 H 3.840 0.020 1 4 -9 12 SER C C 174.977 0.200 1 5 -9 12 SER CA C 58.837 0.200 1 6 -9 12 SER CB C 63.757 0.200 1 7 -8 13 GLY H H 8.330 0.020 1 8 -8 13 GLY HA2 H 3.880 0.020 2 9 -8 13 GLY HA3 H 3.940 0.020 2 10 -8 13 GLY C C 173.807 0.200 1 11 -8 13 GLY CA C 45.297 0.200 1 12 -8 13 GLY N N 110.380 0.200 1 13 -7 14 LEU H H 7.958 0.020 1 14 -7 14 LEU HA H 4.316 0.020 1 15 -7 14 LEU HB2 H 1.470 0.020 2 16 -7 14 LEU HB3 H 1.520 0.020 2 17 -7 14 LEU HG H 1.480 0.020 1 18 -7 14 LEU HD1 H 0.766 0.020 2 19 -7 14 LEU HD2 H 0.820 0.020 2 20 -7 14 LEU C C 177.047 0.200 1 21 -7 14 LEU CA C 55.127 0.200 1 22 -7 14 LEU CB C 42.438 0.200 1 23 -7 14 LEU CG C 26.974 0.200 1 24 -7 14 LEU CD1 C 23.471 0.200 1 25 -7 14 LEU CD2 C 24.887 0.200 1 26 -7 14 LEU N N 121.371 0.200 1 27 -6 15 VAL H H 8.016 0.020 1 28 -6 15 VAL HA H 4.334 0.020 1 29 -6 15 VAL HB H 1.981 0.020 1 30 -6 15 VAL HG1 H 0.841 0.020 2 31 -6 15 VAL HG2 H 0.867 0.020 2 32 -6 15 VAL CA C 59.73 0.200 1 33 -6 15 VAL CB C 32.69 0.200 1 34 -6 15 VAL CG1 C 20.383 0.200 1 35 -6 15 VAL CG2 C 21.067 0.200 1 36 -6 15 VAL N N 122.260 0.200 1 37 -5 16 PRO HA H 4.330 0.020 1 38 -5 16 PRO HB2 H 1.810 0.020 2 39 -5 16 PRO HB3 H 2.194 0.020 2 40 -5 16 PRO HG2 H 1.882 0.020 2 41 -5 16 PRO HG3 H 1.968 0.020 2 42 -5 16 PRO HD2 H 3.585 0.020 2 43 -5 16 PRO HD3 H 3.779 0.020 2 44 -5 16 PRO C C 176.837 0.200 1 45 -5 16 PRO CA C 63.147 0.200 1 46 -5 16 PRO CB C 32.107 0.200 1 47 -5 16 PRO CG C 27.446 0.200 1 48 -5 16 PRO CD C 51.033 0.200 1 49 -4 17 ARG H H 8.372 0.020 1 50 -4 17 ARG HA H 4.252 0.020 1 51 -4 17 ARG HB2 H 1.727 0.020 2 52 -4 17 ARG HB3 H 1.793 0.020 2 53 -4 17 ARG HG2 H 1.620 0.020 1 54 -4 17 ARG HG3 H 1.620 0.020 1 55 -4 17 ARG HD2 H 3.131 0.020 2 56 -4 17 ARG HD3 H 3.133 0.020 2 57 -4 17 ARG CA C 56.327 0.200 1 58 -4 17 ARG CB C 30.847 0.200 1 59 -4 17 ARG CG C 27.117 0.200 1 60 -4 17 ARG CD C 43.327 0.200 1 61 -4 17 ARG N N 121.820 0.200 1 62 -1 20 HIS HA H 4.580 0.020 1 63 -1 20 HIS HB2 H 3.060 0.020 1 64 -1 20 HIS HB3 H 3.060 0.020 1 65 -1 20 HIS C C 175.277 0.200 1 66 -1 20 HIS CA C 56.527 0.200 1 67 -1 20 HIS CB C 30.617 0.200 1 68 0 21 MET H H 8.080 0.020 1 69 0 21 MET HA H 4.350 0.020 1 70 0 21 MET HB2 H 1.860 0.020 2 71 0 21 MET HB3 H 1.960 0.020 2 72 0 21 MET HG2 H 2.304 0.020 2 73 0 21 MET HG3 H 2.370 0.020 2 74 0 21 MET C C 176.017 0.200 1 75 0 21 MET CA C 55.667 0.200 1 76 0 21 MET CB C 32.727 0.200 1 77 0 21 MET CG C 31.917 0.200 1 78 0 21 MET N N 120.750 0.200 1 79 1 22 MET H H 8.228 0.020 1 80 1 22 MET HA H 4.358 0.020 1 81 1 22 MET HB2 H 1.900 0.020 2 82 1 22 MET HB3 H 2.003 0.020 2 83 1 22 MET HG2 H 2.436 0.020 2 84 1 22 MET HG3 H 2.518 0.020 2 85 1 22 MET C C 175.867 0.200 1 86 1 22 MET CA C 55.453 0.200 1 87 1 22 MET CB C 32.957 0.200 1 88 1 22 MET CG C 32.042 0.200 1 89 1 22 MET N N 121.040 0.200 1 90 2 23 ALA H H 8.184 0.020 1 91 2 23 ALA HA H 4.269 0.020 1 92 2 23 ALA HB H 1.306 0.020 1 93 2 23 ALA C C 177.767 0.200 1 94 2 23 ALA CA C 52.6 0.200 1 95 2 23 ALA CB C 19.306 0.200 1 96 2 23 ALA N N 124.884 0.200 1 97 3 24 GLU H H 8.353 0.020 1 98 3 24 GLU HA H 4.232 0.020 1 99 3 24 GLU HB2 H 1.901 0.020 2 100 3 24 GLU HB3 H 2.010 0.020 2 101 3 24 GLU HG2 H 2.200 0.020 1 102 3 24 GLU HG3 H 2.200 0.020 1 103 3 24 GLU C C 177.237 0.200 1 104 3 24 GLU CA C 56.843 0.200 1 105 3 24 GLU CB C 30.229 0.200 1 106 3 24 GLU CG C 36.247 0.200 1 107 3 24 GLU N N 120.350 0.200 1 108 4 25 GLY H H 8.425 0.020 1 109 4 25 GLY HA2 H 3.935 0.020 2 110 4 25 GLY HA3 H 3.980 0.020 2 111 4 25 GLY C C 174.777 0.200 1 112 4 25 GLY CA C 45.593 0.200 1 113 4 25 GLY N N 110.040 0.200 1 114 5 26 GLY H H 8.204 0.020 1 115 5 26 GLY HA2 H 3.928 0.020 2 116 5 26 GLY HA3 H 3.980 0.020 2 117 5 26 GLY C C 173.867 0.200 1 118 5 26 GLY CA C 45.22 0.200 1 119 5 26 GLY N N 108.633 0.200 1 120 6 27 ALA H H 8.086 0.020 1 121 6 27 ALA HA H 4.246 0.020 1 122 6 27 ALA HB H 1.289 0.020 1 123 6 27 ALA C C 177.017 0.200 1 124 6 27 ALA CA C 52.624 0.200 1 125 6 27 ALA CB C 19.595 0.200 1 126 6 27 ALA N N 122.984 0.200 1 127 7 28 ALA H H 6.587 0.020 1 128 7 28 ALA HA H 4.199 0.020 1 129 7 28 ALA HB H 0.987 0.020 1 130 7 28 ALA C C 177.097 0.200 1 131 7 28 ALA CA C 51.615 0.200 1 132 7 28 ALA CB C 19.706 0.200 1 133 7 28 ALA N N 121.123 0.200 1 134 8 29 ASP H H 8.125 0.020 1 135 8 29 ASP HA H 4.376 0.020 1 136 8 29 ASP HB2 H 2.658 0.020 2 137 8 29 ASP HB3 H 2.813 0.020 2 138 8 29 ASP C C 176.087 0.200 1 139 8 29 ASP CA C 53.835 0.200 1 140 8 29 ASP CB C 40.845 0.200 1 141 8 29 ASP N N 120.278 0.200 1 142 9 30 LEU H H 8.077 0.020 1 143 9 30 LEU HA H 3.503 0.020 1 144 9 30 LEU HB2 H 1.011 0.020 2 145 9 30 LEU HB3 H 1.579 0.020 2 146 9 30 LEU HG H 1.651 0.020 1 147 9 30 LEU HD1 H 0.484 0.020 2 148 9 30 LEU HD2 H 0.437 0.020 2 149 9 30 LEU C C 178.367 0.200 1 150 9 30 LEU CA C 58.62 0.200 1 151 9 30 LEU CB C 40.457 0.200 1 152 9 30 LEU CG C 26.616 0.200 1 153 9 30 LEU CD1 C 22.023 0.200 1 154 9 30 LEU CD2 C 24.945 0.200 1 155 9 30 LEU N N 118.853 0.200 1 156 10 31 ASP H H 7.931 0.020 1 157 10 31 ASP HA H 4.211 0.020 1 158 10 31 ASP HB2 H 2.542 0.020 2 159 10 31 ASP HB3 H 2.540 0.020 2 160 10 31 ASP C C 178.797 0.200 1 161 10 31 ASP CA C 57.548 0.200 1 162 10 31 ASP CB C 40.908 0.200 1 163 10 31 ASP N N 116.727 0.200 1 164 11 32 THR H H 7.863 0.020 1 165 11 32 THR HA H 3.865 0.020 1 166 11 32 THR HB H 3.968 0.020 1 167 11 32 THR HG2 H 1.190 0.020 1 168 11 32 THR C C 175.587 0.200 1 169 11 32 THR CA C 66.547 0.200 1 170 11 32 THR CB C 67.91 0.200 1 171 11 32 THR CG2 C 21.975 0.200 1 172 11 32 THR N N 119.254 0.200 1 173 12 33 GLN H H 7.911 0.020 1 174 12 33 GLN HA H 3.958 0.020 1 175 12 33 GLN HB2 H 1.922 0.020 2 176 12 33 GLN HB3 H 2.325 0.020 2 177 12 33 GLN HG2 H 1.847 0.020 2 178 12 33 GLN HG3 H -0.229 0.020 2 179 12 33 GLN HE21 H 6.616 0.020 2 180 12 33 GLN HE22 H 6.962 0.020 2 181 12 33 GLN C C 178.287 0.200 1 182 12 33 GLN CA C 59.808 0.200 1 183 12 33 GLN CB C 28.561 0.200 1 184 12 33 GLN CG C 31.858 0.200 1 185 12 33 GLN CD C 179.367 0.200 1 186 12 33 GLN N N 119.356 0.200 1 187 12 33 GLN NE2 N 108.605 0.200 1 188 13 34 ARG H H 7.925 0.020 1 189 13 34 ARG HA H 4.136 0.020 1 190 13 34 ARG HB2 H 1.664 0.020 2 191 13 34 ARG HB3 H 1.894 0.020 2 192 13 34 ARG HG2 H 1.262 0.020 2 193 13 34 ARG HG3 H 1.379 0.020 2 194 13 34 ARG HD2 H 2.950 0.020 1 195 13 34 ARG HD3 H 2.950 0.020 1 196 13 34 ARG C C 177.567 0.200 1 197 13 34 ARG CA C 60.293 0.200 1 198 13 34 ARG CB C 29.935 0.200 1 199 13 34 ARG CG C 27.108 0.200 1 200 13 34 ARG CD C 42.948 0.200 1 201 13 34 ARG N N 116.200 0.200 1 202 14 35 SER H H 8.131 0.020 1 203 14 35 SER HA H 4.184 0.020 1 204 14 35 SER HB2 H 4.000 0.020 2 205 14 35 SER HB3 H 4.001 0.020 2 206 14 35 SER C C 177.917 0.200 1 207 14 35 SER CA C 61.622 0.200 1 208 14 35 SER CB C 63.15 0.200 1 209 14 35 SER N N 112.635 0.200 1 210 15 36 ASP H H 9.424 0.020 1 211 15 36 ASP HA H 4.499 0.020 1 212 15 36 ASP HB2 H 2.492 0.020 2 213 15 36 ASP HB3 H 3.376 0.020 2 214 15 36 ASP C C 179.837 0.200 1 215 15 36 ASP CA C 57.742 0.200 1 216 15 36 ASP CB C 40.899 0.200 1 217 15 36 ASP N N 123.333 0.200 1 218 16 37 ILE H H 8.115 0.020 1 219 16 37 ILE HA H 4.086 0.020 1 220 16 37 ILE HB H 2.977 0.020 1 221 16 37 ILE HG12 H 1.473 0.020 2 222 16 37 ILE HG13 H 2.596 0.020 2 223 16 37 ILE HG2 H 0.985 0.020 1 224 16 37 ILE HD1 H 0.714 0.020 1 225 16 37 ILE C C 177.857 0.200 1 226 16 37 ILE CA C 61.651 0.200 1 227 16 37 ILE CB C 34.818 0.200 1 228 16 37 ILE CG1 C 27.399 0.200 1 229 16 37 ILE CG2 C 17.424 0.200 1 230 16 37 ILE CD1 C 8.107 0.200 1 231 16 37 ILE N N 117.710 0.200 1 232 17 38 ALA H H 9.059 0.020 1 233 17 38 ALA HA H 4.441 0.020 1 234 17 38 ALA HB H 1.591 0.020 1 235 17 38 ALA C C 181.167 0.200 1 236 17 38 ALA CA C 56.553 0.200 1 237 17 38 ALA CB C 18.418 0.200 1 238 17 38 ALA N N 122.224 0.200 1 239 18 39 THR H H 8.111 0.020 1 240 18 39 THR HA H 3.997 0.020 1 241 18 39 THR HB H 4.379 0.020 1 242 18 39 THR HG2 H 1.253 0.020 1 243 18 39 THR C C 177.367 0.200 1 244 18 39 THR CA C 66.647 0.200 1 245 18 39 THR CB C 69.034 0.200 1 246 18 39 THR CG2 C 21.825 0.200 1 247 18 39 THR N N 112.572 0.200 1 248 19 40 LEU H H 8.008 0.020 1 249 19 40 LEU HA H 4.134 0.020 1 250 19 40 LEU HB2 H 1.151 0.020 2 251 19 40 LEU HB3 H 1.990 0.020 2 252 19 40 LEU HG H 1.907 0.020 1 253 19 40 LEU HD1 H 0.819 0.020 2 254 19 40 LEU HD2 H 0.670 0.020 2 255 19 40 LEU C C 179.817 0.200 1 256 19 40 LEU CA C 57.823 0.200 1 257 19 40 LEU CB C 42.269 0.200 1 258 19 40 LEU CG C 27.324 0.200 1 259 19 40 LEU CD1 C 23.342 0.200 1 260 19 40 LEU CD2 C 25.648 0.200 1 261 19 40 LEU N N 123.032 0.200 1 262 20 41 LEU H H 8.579 0.020 1 263 20 41 LEU HA H 4.331 0.020 1 264 20 41 LEU HB2 H 1.808 0.020 2 265 20 41 LEU HB3 H 2.133 0.020 2 266 20 41 LEU HG H 2.007 0.020 1 267 20 41 LEU HD1 H 1.053 0.020 2 268 20 41 LEU HD2 H 1.141 0.020 2 269 20 41 LEU C C 177.857 0.200 1 270 20 41 LEU CA C 57.568 0.200 1 271 20 41 LEU CB C 42.426 0.200 1 272 20 41 LEU CG C 27.399 0.200 1 273 20 41 LEU CD1 C 23.526 0.200 1 274 20 41 LEU CD2 C 26.196 0.200 1 275 20 41 LEU N N 120.118 0.200 1 276 21 42 LYS H H 7.410 0.020 1 277 21 42 LYS HA H 4.526 0.020 1 278 21 42 LYS HB2 H 1.965 0.020 2 279 21 42 LYS HB3 H 2.147 0.020 2 280 21 42 LYS HG2 H 1.558 0.020 2 281 21 42 LYS HG3 H 1.719 0.020 2 282 21 42 LYS HD2 H 1.756 0.020 2 283 21 42 LYS HD3 H 1.767 0.020 2 284 21 42 LYS HE2 H 3.050 0.020 2 285 21 42 LYS HE3 H 3.051 0.020 2 286 21 42 LYS C C 176.777 0.200 1 287 21 42 LYS CA C 56.287 0.200 1 288 21 42 LYS CB C 32.504 0.200 1 289 21 42 LYS CG C 25.038 0.200 1 290 21 42 LYS CD C 29.257 0.200 1 291 21 42 LYS CE C 42.285 0.200 1 292 21 42 LYS N N 116.347 0.200 1 293 22 43 THR H H 7.570 0.020 1 294 22 43 THR HA H 4.244 0.020 1 295 22 43 THR HB H 4.274 0.020 1 296 22 43 THR HG2 H 1.438 0.020 1 297 22 43 THR C C 173.897 0.200 1 298 22 43 THR CA C 63.775 0.200 1 299 22 43 THR CB C 70.435 0.200 1 300 22 43 THR CG2 C 21.448 0.200 1 301 22 43 THR N N 115.612 0.200 1 302 23 44 SER H H 8.445 0.020 1 303 23 44 SER HA H 4.480 0.020 1 304 23 44 SER HB2 H 3.843 0.020 2 305 23 44 SER HB3 H 3.895 0.020 2 306 23 44 SER C C 174.567 0.200 1 307 23 44 SER CA C 59.067 0.200 1 308 23 44 SER CB C 63.891 0.200 1 309 23 44 SER N N 120.288 0.200 1 310 24 45 LEU H H 8.496 0.020 1 311 24 45 LEU HA H 4.174 0.020 1 312 24 45 LEU HB2 H 1.219 0.020 2 313 24 45 LEU HB3 H 1.413 0.020 2 314 24 45 LEU HG H 1.188 0.020 1 315 24 45 LEU HD1 H 0.213 0.020 2 316 24 45 LEU HD2 H 0.407 0.020 2 317 24 45 LEU C C 176.657 0.200 1 318 24 45 LEU CA C 55.857 0.200 1 319 24 45 LEU CB C 42.204 0.200 1 320 24 45 LEU CG C 27.155 0.200 1 321 24 45 LEU CD1 C 23.423 0.200 1 322 24 45 LEU CD2 C 24.758 0.200 1 323 24 45 LEU N N 125.966 0.200 1 324 25 46 ARG H H 8.488 0.020 1 325 25 46 ARG HA H 4.428 0.020 1 326 25 46 ARG HB2 H 1.701 0.020 2 327 25 46 ARG HB3 H 1.751 0.020 2 328 25 46 ARG HG2 H 1.451 0.020 2 329 25 46 ARG HG3 H 1.552 0.020 2 330 25 46 ARG HD2 H 3.106 0.020 2 331 25 46 ARG HD3 H 3.110 0.020 2 332 25 46 ARG C C 175.327 0.200 1 333 25 46 ARG CA C 55.055 0.200 1 334 25 46 ARG CB C 31.889 0.200 1 335 25 46 ARG CG C 27.074 0.200 1 336 25 46 ARG CD C 43.432 0.200 1 337 25 46 ARG N N 124.745 0.200 1 338 26 47 LYS H H 8.434 0.020 1 339 26 47 LYS HA H 3.868 0.020 1 340 26 47 LYS HB2 H 1.714 0.020 2 341 26 47 LYS HB3 H 1.694 0.020 2 342 26 47 LYS HG2 H 1.277 0.020 2 343 26 47 LYS HG3 H 1.391 0.020 2 344 26 47 LYS HD2 H 1.620 0.020 1 345 26 47 LYS HD3 H 1.620 0.020 1 346 26 47 LYS HE2 H 2.930 0.020 1 347 26 47 LYS HE3 H 2.930 0.020 1 348 26 47 LYS C C 177.167 0.200 1 349 26 47 LYS CA C 57.871 0.200 1 350 26 47 LYS CB C 32.404 0.200 1 351 26 47 LYS CG C 24.777 0.200 1 352 26 47 LYS CD C 29.537 0.200 1 353 26 47 LYS CE C 42.067 0.200 1 354 26 47 LYS N N 123.161 0.200 1 355 27 48 GLY H H 8.770 0.020 1 356 27 48 GLY HA2 H 3.597 0.020 2 357 27 48 GLY HA3 H 4.303 0.020 2 358 27 48 GLY C C 174.207 0.200 1 359 27 48 GLY CA C 45.243 0.200 1 360 27 48 GLY N N 113.303 0.200 1 361 28 49 ASP H H 7.962 0.020 1 362 28 49 ASP HA H 4.799 0.020 1 363 28 49 ASP HB2 H 2.715 0.020 2 364 28 49 ASP HB3 H 2.998 0.020 2 365 28 49 ASP C C 175.427 0.200 1 366 28 49 ASP CA C 54.081 0.200 1 367 28 49 ASP CB C 41.862 0.200 1 368 28 49 ASP N N 120.952 0.200 1 369 29 50 THR H H 8.662 0.020 1 370 29 50 THR HA H 4.454 0.020 1 371 29 50 THR HB H 3.763 0.020 1 372 29 50 THR HG2 H 0.628 0.020 1 373 29 50 THR C C 172.977 0.200 1 374 29 50 THR CA C 63.497 0.200 1 375 29 50 THR CB C 70.061 0.200 1 376 29 50 THR CG2 C 22.008 0.200 1 377 29 50 THR N N 117.131 0.200 1 378 30 51 TRP H H 8.659 0.020 1 379 30 51 TRP HA H 5.000 0.020 1 380 30 51 TRP HB2 H 2.666 0.020 2 381 30 51 TRP HB3 H 3.028 0.020 2 382 30 51 TRP HD1 H 6.874 0.020 1 383 30 51 TRP HE1 H 10.707 0.020 1 384 30 51 TRP HE3 H 7.092 0.020 1 385 30 51 TRP HZ2 H 7.223 0.020 1 386 30 51 TRP HZ3 H 7.014 0.020 1 387 30 51 TRP HH2 H 7.245 0.020 1 388 30 51 TRP C C 173.477 0.200 1 389 30 51 TRP CA C 55.88 0.200 1 390 30 51 TRP CB C 31.912 0.200 1 391 30 51 TRP CD1 C 125.369 0.200 1 392 30 51 TRP CE3 C 124.797 0.200 1 393 30 51 TRP CZ2 C 114.709 0.200 1 394 30 51 TRP CZ3 C 121.067 0.200 1 395 30 51 TRP CH2 C 120.978 0.200 1 396 30 51 TRP N N 128.440 0.200 1 397 30 51 TRP NE1 N 130.434 0.200 1 398 31 52 TYR H H 9.513 0.020 1 399 31 52 TYR HA H 4.732 0.020 1 400 31 52 TYR HB2 H 1.909 0.020 2 401 31 52 TYR HB3 H 2.030 0.020 2 402 31 52 TYR HD1 H 6.069 0.020 1 403 31 52 TYR HD2 H 6.069 0.020 1 404 31 52 TYR HE1 H 6.413 0.020 1 405 31 52 TYR HE2 H 6.413 0.020 1 406 31 52 TYR C C 175.227 0.200 1 407 31 52 TYR CA C 57.247 0.200 1 408 31 52 TYR CB C 41.497 0.200 1 409 31 52 TYR CD1 C 131.119 0.200 1 410 31 52 TYR CD2 C 131.119 0.200 1 411 31 52 TYR CE1 C 117.409 0.200 1 412 31 52 TYR CE2 C 117.409 0.200 1 413 31 52 TYR N N 118.179 0.200 1 414 32 53 LEU H H 7.985 0.020 1 415 32 53 LEU HA H 4.658 0.020 1 416 32 53 LEU HB2 H 1.021 0.020 2 417 32 53 LEU HB3 H 1.062 0.020 2 418 32 53 LEU HG H 1.054 0.020 1 419 32 53 LEU HD1 H 0.280 0.020 2 420 32 53 LEU HD2 H -0.134 0.020 2 421 32 53 LEU C C 177.087 0.200 1 422 32 53 LEU CA C 57.123 0.200 1 423 32 53 LEU CB C 43.749 0.200 1 424 32 53 LEU CG C 31.29 0.200 1 425 32 53 LEU CD1 C 24.059 0.200 1 426 32 53 LEU CD2 C 26.055 0.200 1 427 32 53 LEU N N 121.736 0.200 1 428 33 54 VAL H H 8.749 0.020 1 429 33 54 VAL HA H 4.635 0.020 1 430 33 54 VAL HB H 1.862 0.020 1 431 33 54 VAL HG1 H 1.128 0.020 2 432 33 54 VAL HG2 H 1.003 0.020 2 433 33 54 VAL C C 174.987 0.200 1 434 33 54 VAL CA C 60.457 0.200 1 435 33 54 VAL CB C 34.976 0.200 1 436 33 54 VAL CG1 C 22.09 0.200 1 437 33 54 VAL CG2 C 22.243 0.200 1 438 33 54 VAL N N 118.256 0.200 1 439 34 55 ASP H H 9.016 0.020 1 440 34 55 ASP HA H 4.544 0.020 1 441 34 55 ASP HB2 H 2.973 0.020 2 442 34 55 ASP HB3 H 3.188 0.020 2 443 34 55 ASP C C 178.237 0.200 1 444 34 55 ASP CA C 56.124 0.200 1 445 34 55 ASP CB C 43.443 0.200 1 446 34 55 ASP N N 127.540 0.200 1 447 35 56 SER H H 8.687 0.020 1 448 35 56 SER HA H 4.178 0.020 1 449 35 56 SER HB2 H 3.611 0.020 2 450 35 56 SER HB3 H 3.931 0.020 2 451 35 56 SER C C 176.277 0.200 1 452 35 56 SER CA C 61.714 0.200 1 453 35 56 SER CB C 63.297 0.200 1 454 35 56 SER N N 126.350 0.200 1 455 36 57 ARG H H 9.465 0.020 1 456 36 57 ARG HA H 4.060 0.020 1 457 36 57 ARG HB2 H 1.952 0.020 2 458 36 57 ARG HB3 H 2.018 0.020 2 459 36 57 ARG HG2 H 1.708 0.020 2 460 36 57 ARG HG3 H 1.793 0.020 2 461 36 57 ARG HD2 H 3.290 0.020 1 462 36 57 ARG HD3 H 3.290 0.020 1 463 36 57 ARG C C 179.357 0.200 1 464 36 57 ARG CA C 60.095 0.200 1 465 36 57 ARG CB C 29.722 0.200 1 466 36 57 ARG CG C 27.758 0.200 1 467 36 57 ARG CD C 43.35 0.200 1 468 36 57 ARG N N 124.200 0.200 1 469 37 58 TRP H H 7.408 0.020 1 470 37 58 TRP HA H 4.072 0.020 1 471 37 58 TRP HB2 H 3.542 0.020 2 472 37 58 TRP HB3 H 3.582 0.020 2 473 37 58 TRP HD1 H 7.203 0.020 1 474 37 58 TRP HE1 H 9.189 0.020 1 475 37 58 TRP HE3 H 7.156 0.020 1 476 37 58 TRP HZ2 H 6.678 0.020 1 477 37 58 TRP HZ3 H 6.392 0.020 1 478 37 58 TRP HH2 H 6.249 0.020 1 479 37 58 TRP C C 178.177 0.200 1 480 37 58 TRP CA C 62.452 0.200 1 481 37 58 TRP CB C 29.477 0.200 1 482 37 58 TRP CD1 C 125.959 0.200 1 483 37 58 TRP CE3 C 120.051 0.200 1 484 37 58 TRP CZ2 C 115.558 0.200 1 485 37 58 TRP CZ3 C 119.757 0.200 1 486 37 58 TRP CH2 C 123.354 0.200 1 487 37 58 TRP N N 120.362 0.200 1 488 37 58 TRP NE1 N 133.297 0.200 1 489 38 59 PHE H H 8.648 0.020 1 490 38 59 PHE HA H 4.192 0.020 1 491 38 59 PHE HB2 H 3.057 0.020 2 492 38 59 PHE HB3 H 3.186 0.020 2 493 38 59 PHE HD1 H 7.095 0.020 1 494 38 59 PHE HD2 H 7.095 0.020 1 495 38 59 PHE HE1 H 6.886 0.020 1 496 38 59 PHE HE2 H 6.886 0.020 1 497 38 59 PHE HZ H 6.774 0.020 1 498 38 59 PHE C C 177.187 0.200 1 499 38 59 PHE CA C 62.701 0.200 1 500 38 59 PHE CB C 40.381 0.200 1 501 38 59 PHE CD1 C 131.266 0.200 1 502 38 59 PHE CD2 C 131.266 0.200 1 503 38 59 PHE CE1 C 131.218 0.200 1 504 38 59 PHE CE2 C 131.218 0.200 1 505 38 59 PHE CZ C 129.57 0.200 1 506 38 59 PHE N N 118.736 0.200 1 507 39 60 LYS H H 8.908 0.020 1 508 39 60 LYS HA H 3.740 0.020 1 509 39 60 LYS HB2 H 1.843 0.020 2 510 39 60 LYS HB3 H 1.979 0.020 2 511 39 60 LYS HG2 H 1.482 0.020 2 512 39 60 LYS HG3 H 1.778 0.020 2 513 39 60 LYS HD2 H 1.708 0.020 2 514 39 60 LYS HD3 H 1.710 0.020 2 515 39 60 LYS HE2 H 2.970 0.020 2 516 39 60 LYS HE3 H 2.971 0.020 2 517 39 60 LYS C C 178.987 0.200 1 518 39 60 LYS CA C 60.287 0.200 1 519 39 60 LYS CB C 32.522 0.200 1 520 39 60 LYS CG C 26.429 0.200 1 521 39 60 LYS CD C 29.662 0.200 1 522 39 60 LYS CE C 42.067 0.200 1 523 39 60 LYS N N 116.995 0.200 1 524 40 61 GLN H H 7.029 0.020 1 525 40 61 GLN HA H 3.998 0.020 1 526 40 61 GLN HB2 H 1.806 0.020 2 527 40 61 GLN HB3 H 1.859 0.020 2 528 40 61 GLN HG2 H 2.183 0.020 2 529 40 61 GLN HG3 H 2.372 0.020 2 530 40 61 GLN HE21 H 6.734 0.020 2 531 40 61 GLN HE22 H 7.310 0.020 2 532 40 61 GLN C C 177.157 0.200 1 533 40 61 GLN CA C 58.524 0.200 1 534 40 61 GLN CB C 28.383 0.200 1 535 40 61 GLN CG C 33.03 0.200 1 536 40 61 GLN CD C 180.267 0.200 1 537 40 61 GLN N N 120.142 0.200 1 538 40 61 GLN NE2 N 111.041 0.200 1 539 41 62 TRP H H 7.747 0.020 1 540 41 62 TRP HA H 3.201 0.020 1 541 41 62 TRP HB2 H 1.325 0.020 2 542 41 62 TRP HB3 H 2.740 0.020 2 543 41 62 TRP HD1 H 6.659 0.020 1 544 41 62 TRP HE1 H 9.513 0.020 1 545 41 62 TRP HE3 H 6.359 0.020 1 546 41 62 TRP HZ2 H 7.271 0.020 1 547 41 62 TRP HZ3 H 5.984 0.020 1 548 41 62 TRP HH2 H 7.238 0.020 1 549 41 62 TRP C C 176.567 0.200 1 550 41 62 TRP CA C 62.927 0.200 1 551 41 62 TRP CB C 26.921 0.200 1 552 41 62 TRP CD1 C 126.21 0.200 1 553 41 62 TRP CE3 C 121.707 0.200 1 554 41 62 TRP CZ2 C 113.512 0.200 1 555 41 62 TRP CZ3 C 121.559 0.200 1 556 41 62 TRP CH2 C 123.634 0.200 1 557 41 62 TRP N N 120.523 0.200 1 558 41 62 TRP NE1 N 125.711 0.200 1 559 42 63 LYS H H 8.488 0.020 1 560 42 63 LYS HA H 2.885 0.020 1 561 42 63 LYS HB2 H 1.357 0.020 2 562 42 63 LYS HB3 H 1.867 0.020 2 563 42 63 LYS HG2 H 0.344 0.020 2 564 42 63 LYS HG3 H 1.207 0.020 2 565 42 63 LYS HD2 H 1.419 0.020 2 566 42 63 LYS HD3 H 1.481 0.020 2 567 42 63 LYS HE2 H 2.463 0.020 2 568 42 63 LYS HE3 H 2.780 0.020 2 569 42 63 LYS C C 179.707 0.200 1 570 42 63 LYS CA C 60.667 0.200 1 571 42 63 LYS CB C 33.114 0.200 1 572 42 63 LYS CG C 25.586 0.200 1 573 42 63 LYS CD C 30.812 0.200 1 574 42 63 LYS CE C 41.231 0.200 1 575 42 63 LYS N N 115.438 0.200 1 576 43 64 LYS H H 7.172 0.020 1 577 43 64 LYS HA H 3.711 0.020 1 578 43 64 LYS HB2 H 1.566 0.020 2 579 43 64 LYS HB3 H 1.861 0.020 2 580 43 64 LYS HG2 H 1.409 0.020 2 581 43 64 LYS HG3 H 1.555 0.020 2 582 43 64 LYS HD2 H 1.547 0.020 2 583 43 64 LYS HD3 H 1.540 0.020 2 584 43 64 LYS HE2 H 2.929 0.020 2 585 43 64 LYS HE3 H 2.948 0.020 2 586 43 64 LYS C C 178.167 0.200 1 587 43 64 LYS CA C 59.536 0.200 1 588 43 64 LYS CB C 32.94 0.200 1 589 43 64 LYS CG C 25.467 0.200 1 590 43 64 LYS CD C 29.567 0.200 1 591 43 64 LYS CE C 42.067 0.200 1 592 43 64 LYS N N 118.416 0.200 1 593 44 65 TYR H H 7.917 0.020 1 594 44 65 TYR HA H 3.958 0.020 1 595 44 65 TYR HB2 H 2.627 0.020 2 596 44 65 TYR HB3 H 3.125 0.020 2 597 44 65 TYR HD1 H 7.007 0.020 1 598 44 65 TYR HD2 H 7.007 0.020 1 599 44 65 TYR HE1 H 6.739 0.020 1 600 44 65 TYR HE2 H 6.739 0.020 1 601 44 65 TYR HH H 10.616 0.020 1 602 44 65 TYR C C 176.597 0.200 1 603 44 65 TYR CA C 61.372 0.200 1 604 44 65 TYR CB C 38.669 0.200 1 605 44 65 TYR CD1 C 133.362 0.200 1 606 44 65 TYR CD2 C 133.362 0.200 1 607 44 65 TYR CE1 C 118.268 0.200 1 608 44 65 TYR CE2 C 118.268 0.200 1 609 44 65 TYR N N 119.953 0.200 1 610 45 66 VAL H H 7.606 0.020 1 611 45 66 VAL HA H 3.929 0.020 1 612 45 66 VAL HB H 2.091 0.020 1 613 45 66 VAL HG1 H -0.304 0.020 2 614 45 66 VAL HG2 H 0.254 0.020 2 615 45 66 VAL C C 175.597 0.200 1 616 45 66 VAL CA C 60.306 0.200 1 617 45 66 VAL CB C 31.036 0.200 1 618 45 66 VAL CG1 C 17.162 0.200 1 619 45 66 VAL CG2 C 20.579 0.200 1 620 45 66 VAL N N 105.412 0.200 1 621 46 67 GLY H H 7.348 0.020 1 622 46 67 GLY HA2 H 3.521 0.020 2 623 46 67 GLY HA3 H 3.618 0.020 2 624 46 67 GLY C C 174.217 0.200 1 625 46 67 GLY CA C 47.351 0.200 1 626 46 67 GLY N N 111.303 0.200 1 627 47 68 PHE H H 8.320 0.020 1 628 47 68 PHE HA H 3.304 0.020 1 629 47 68 PHE HB2 H 2.440 0.020 2 630 47 68 PHE HB3 H 2.419 0.020 2 631 47 68 PHE HD1 H 7.153 0.020 1 632 47 68 PHE HD2 H 7.153 0.020 1 633 47 68 PHE HE1 H 7.585 0.020 1 634 47 68 PHE HE2 H 7.585 0.020 1 635 47 68 PHE HZ H 7.501 0.020 1 636 47 68 PHE C C 175.467 0.200 1 637 47 68 PHE CA C 61.959 0.200 1 638 47 68 PHE CB C 41.491 0.200 1 639 47 68 PHE CD1 C 132.9 0.200 1 640 47 68 PHE CD2 C 132.9 0.200 1 641 47 68 PHE CE1 C 130.815 0.200 1 642 47 68 PHE CE2 C 130.815 0.200 1 643 47 68 PHE CZ C 130.52 0.200 1 644 47 68 PHE N N 119.583 0.200 1 645 48 69 ASP H H 8.702 0.020 1 646 48 69 ASP HA H 4.380 0.020 1 647 48 69 ASP HB2 H 0.578 0.020 2 648 48 69 ASP HB3 H 1.710 0.020 2 649 48 69 ASP C C 177.227 0.200 1 650 48 69 ASP CA C 52.867 0.200 1 651 48 69 ASP CB C 40.879 0.200 1 652 48 69 ASP N N 116.543 0.200 1 653 49 70 SER H H 8.502 0.020 1 654 49 70 SER HA H 3.738 0.020 1 655 49 70 SER HB2 H 3.777 0.020 2 656 49 70 SER HB3 H 3.730 0.020 2 657 49 70 SER C C 174.667 0.200 1 658 49 70 SER CA C 61.151 0.200 1 659 49 70 SER CB C 62.758 0.200 1 660 49 70 SER N N 118.360 0.200 1 661 50 71 TRP H H 6.864 0.020 1 662 50 71 TRP HA H 4.659 0.020 1 663 50 71 TRP HB2 H 3.204 0.020 2 664 50 71 TRP HB3 H 3.467 0.020 2 665 50 71 TRP HD1 H 7.161 0.020 1 666 50 71 TRP HE1 H 10.261 0.020 1 667 50 71 TRP HE3 H 7.610 0.020 1 668 50 71 TRP HZ2 H 7.453 0.020 1 669 50 71 TRP HZ3 H 7.202 0.020 1 670 50 71 TRP HH2 H 7.189 0.020 1 671 50 71 TRP C C 175.377 0.200 1 672 50 71 TRP CA C 57.152 0.200 1 673 50 71 TRP CB C 28.234 0.200 1 674 50 71 TRP CD1 C 127.442 0.200 1 675 50 71 TRP CE3 C 120.099 0.200 1 676 50 71 TRP CZ2 C 115.17 0.200 1 677 50 71 TRP CZ3 C 125.479 0.200 1 678 50 71 TRP CH2 C 122.991 0.200 1 679 50 71 TRP N N 116.685 0.200 1 680 50 71 TRP NE1 N 131.414 0.200 1 681 51 72 ASP H H 7.441 0.020 1 682 51 72 ASP HA H 4.883 0.020 1 683 51 72 ASP HB2 H 2.043 0.020 2 684 51 72 ASP HB3 H 2.414 0.020 2 685 51 72 ASP C C 175.827 0.200 1 686 51 72 ASP CA C 53.253 0.200 1 687 51 72 ASP CB C 41.567 0.200 1 688 51 72 ASP N N 122.503 0.200 1 689 52 73 LYS H H 8.029 0.020 1 690 52 73 LYS HA H 4.231 0.020 1 691 52 73 LYS HB2 H 1.486 0.020 2 692 52 73 LYS HB3 H 1.683 0.020 2 693 52 73 LYS HG2 H 1.107 0.020 2 694 52 73 LYS HG3 H 1.110 0.020 2 695 52 73 LYS HD2 H 1.450 0.020 2 696 52 73 LYS HD3 H 1.451 0.020 2 697 52 73 LYS HE2 H 2.800 0.020 1 698 52 73 LYS HE3 H 2.800 0.020 1 699 52 73 LYS C C 177.807 0.200 1 700 52 73 LYS CA C 56.569 0.200 1 701 52 73 LYS CB C 32.659 0.200 1 702 52 73 LYS CG C 24.567 0.200 1 703 52 73 LYS CD C 29.337 0.200 1 704 52 73 LYS CE C 42.107 0.200 1 705 52 73 LYS N N 120.290 0.200 1 706 53 74 TYR H H 7.759 0.020 1 707 53 74 TYR HA H 4.217 0.020 1 708 53 74 TYR HB2 H 2.970 0.020 2 709 53 74 TYR HB3 H 3.117 0.020 2 710 53 74 TYR HD1 H 7.190 0.020 1 711 53 74 TYR HD2 H 7.190 0.020 1 712 53 74 TYR HE1 H 6.884 0.020 1 713 53 74 TYR HE2 H 6.884 0.020 1 714 53 74 TYR C C 176.427 0.200 1 715 53 74 TYR CA C 60.146 0.200 1 716 53 74 TYR CB C 38.004 0.200 1 717 53 74 TYR CD1 C 133.216 0.200 1 718 53 74 TYR CD2 C 133.216 0.200 1 719 53 74 TYR CE1 C 118.739 0.200 1 720 53 74 TYR CE2 C 118.739 0.200 1 721 53 74 TYR N N 118.746 0.200 1 722 54 75 GLN H H 8.238 0.020 1 723 54 75 GLN HA H 4.356 0.020 1 724 54 75 GLN HB2 H 1.658 0.020 2 725 54 75 GLN HB3 H 2.226 0.020 2 726 54 75 GLN HG2 H 1.930 0.020 2 727 54 75 GLN HG3 H 2.085 0.020 2 728 54 75 GLN HE21 H 6.739 0.020 2 729 54 75 GLN HE22 H 7.622 0.020 2 730 54 75 GLN C C 173.527 0.200 1 731 54 75 GLN CA C 55.147 0.200 1 732 54 75 GLN CB C 30.101 0.200 1 733 54 75 GLN CG C 35.244 0.200 1 734 54 75 GLN CD C 180.567 0.200 1 735 54 75 GLN N N 117.399 0.200 1 736 54 75 GLN NE2 N 112.055 0.200 1 737 55 76 MET H H 6.935 0.020 1 738 55 76 MET HA H 3.987 0.020 1 739 55 76 MET HB2 H 1.449 0.020 2 740 55 76 MET HB3 H 1.740 0.020 2 741 55 76 MET HG2 H 1.981 0.020 2 742 55 76 MET HG3 H 1.982 0.020 2 743 55 76 MET HE H 1.870 0.020 1 744 55 76 MET C C 178.307 0.200 1 745 55 76 MET CA C 56.62 0.200 1 746 55 76 MET CB C 32.986 0.200 1 747 55 76 MET CG C 31.18 0.200 1 748 55 76 MET CE C 17.225 0.200 1 749 55 76 MET N N 119.353 0.200 1 750 56 77 GLY H H 9.223 0.020 1 751 56 77 GLY HA2 H 3.764 0.020 2 752 56 77 GLY HA3 H 2.918 0.020 2 753 56 77 GLY C C 173.267 0.200 1 754 56 77 GLY CA C 45.965 0.200 1 755 56 77 GLY N N 114.841 0.200 1 756 57 78 ASP H H 7.974 0.020 1 757 57 78 ASP HA H 4.514 0.020 1 758 57 78 ASP HB2 H 2.468 0.020 2 759 57 78 ASP HB3 H 3.002 0.020 2 760 57 78 ASP C C 177.747 0.200 1 761 57 78 ASP CA C 54.235 0.200 1 762 57 78 ASP CB C 42.337 0.200 1 763 57 78 ASP N N 122.726 0.200 1 764 58 79 GLN H H 8.976 0.020 1 765 58 79 GLN HA H 4.063 0.020 1 766 58 79 GLN HB2 H 2.111 0.020 2 767 58 79 GLN HB3 H 2.112 0.020 2 768 58 79 GLN HG2 H 2.420 0.020 1 769 58 79 GLN HG3 H 2.420 0.020 1 770 58 79 GLN HE21 H 6.547 0.020 2 771 58 79 GLN HE22 H 7.445 0.020 2 772 58 79 GLN C C 177.897 0.200 1 773 58 79 GLN CA C 58.465 0.200 1 774 58 79 GLN CB C 28.327 0.200 1 775 58 79 GLN CG C 33.603 0.200 1 776 58 79 GLN CD C 179.867 0.200 1 777 58 79 GLN N N 126.448 0.200 1 778 58 79 GLN NE2 N 112.137 0.200 1 779 59 80 ASN H H 9.151 0.020 1 780 59 80 ASN HA H 4.498 0.020 1 781 59 80 ASN HB2 H 2.690 0.020 2 782 59 80 ASN HB3 H 2.809 0.020 2 783 59 80 ASN HD21 H 6.932 0.020 2 784 59 80 ASN HD22 H 8.065 0.020 2 785 59 80 ASN C C 176.587 0.200 1 786 59 80 ASN CA C 55.66 0.200 1 787 59 80 ASN CB C 38.611 0.200 1 788 59 80 ASN CG C 176.967 0.200 1 789 59 80 ASN N N 116.998 0.200 1 790 59 80 ASN ND2 N 114.987 0.200 1 791 60 81 VAL H H 7.864 0.020 1 792 60 81 VAL HA H 4.346 0.020 1 793 60 81 VAL HB H 2.353 0.020 1 794 60 81 VAL HG1 H 0.940 0.020 2 795 60 81 VAL HG2 H 0.770 0.020 2 796 60 81 VAL C C 173.567 0.200 1 797 60 81 VAL CA C 59.948 0.200 1 798 60 81 VAL CB C 31.735 0.200 1 799 60 81 VAL CG1 C 21.08 0.200 1 800 60 81 VAL CG2 C 21.548 0.200 1 801 60 81 VAL N N 112.363 0.200 1 802 61 82 TYR H H 6.985 0.020 1 803 61 82 TYR HA H 3.265 0.020 1 804 61 82 TYR HB2 H 2.710 0.020 2 805 61 82 TYR HB3 H 2.716 0.020 2 806 61 82 TYR HD1 H 6.807 0.020 1 807 61 82 TYR HD2 H 6.807 0.020 1 808 61 82 TYR HE1 H 6.999 0.020 1 809 61 82 TYR HE2 H 6.999 0.020 1 810 61 82 TYR CA C 56.208 0.200 1 811 61 82 TYR CB C 38.553 0.200 1 812 61 82 TYR CD1 C 133.418 0.200 1 813 61 82 TYR CD2 C 133.418 0.200 1 814 61 82 TYR CE1 C 118.067 0.200 1 815 61 82 TYR CE2 C 118.067 0.200 1 816 61 82 TYR N N 122.684 0.200 1 817 62 83 PRO HA H 3.796 0.020 1 818 62 83 PRO HB2 H 0.812 0.020 2 819 62 83 PRO HB3 H 0.985 0.020 2 820 62 83 PRO HG2 H 0.756 0.020 2 821 62 83 PRO HG3 H 1.170 0.020 2 822 62 83 PRO HD2 H 2.323 0.020 2 823 62 83 PRO HD3 H 2.938 0.020 2 824 62 83 PRO C C 176.377 0.200 1 825 62 83 PRO CA C 64.205 0.200 1 826 62 83 PRO CB C 30.873 0.200 1 827 62 83 PRO CG C 27.771 0.200 1 828 62 83 PRO CD C 50.326 0.200 1 829 63 84 GLY H H 5.387 0.020 1 830 63 84 GLY HA2 H 4.014 0.020 2 831 63 84 GLY HA3 H 4.264 0.020 2 832 63 84 GLY CA C 45.028 0.200 1 833 63 84 GLY N N 129.788 0.200 1 834 64 85 PRO HA H 4.466 0.020 1 835 64 85 PRO HB2 H 1.360 0.020 2 836 64 85 PRO HB3 H 1.964 0.020 2 837 64 85 PRO HG2 H 1.788 0.020 2 838 64 85 PRO HG3 H 2.113 0.020 2 839 64 85 PRO HD2 H 3.545 0.020 2 840 64 85 PRO HD3 H 3.825 0.020 2 841 64 85 PRO C C 177.237 0.200 1 842 64 85 PRO CA C 62.333 0.200 1 843 64 85 PRO CB C 32.197 0.200 1 844 64 85 PRO CG C 28.357 0.200 1 845 64 85 PRO CD C 49.639 0.200 1 846 65 86 ILE H H 8.540 0.020 1 847 65 86 ILE HA H 1.333 0.020 1 848 65 86 ILE HB H 1.018 0.020 1 849 65 86 ILE HG12 H 0.704 0.020 2 850 65 86 ILE HG13 H -1.246 0.020 2 851 65 86 ILE HG2 H 0.234 0.020 1 852 65 86 ILE HD1 H -0.319 0.020 1 853 65 86 ILE C C 174.667 0.200 1 854 65 86 ILE CA C 64.115 0.200 1 855 65 86 ILE CB C 38.022 0.200 1 856 65 86 ILE CG1 C 27.014 0.200 1 857 65 86 ILE CG2 C 17.124 0.200 1 858 65 86 ILE CD1 C 14.98 0.200 1 859 65 86 ILE N N 123.119 0.200 1 860 66 87 ASP H H 5.588 0.020 1 861 66 87 ASP HA H 4.894 0.020 1 862 66 87 ASP HB2 H 2.550 0.020 2 863 66 87 ASP HB3 H 2.976 0.020 2 864 66 87 ASP C C 176.007 0.200 1 865 66 87 ASP CA C 52.016 0.200 1 866 66 87 ASP CB C 42.63 0.200 1 867 66 87 ASP N N 123.449 0.200 1 868 67 88 ASN H H 9.697 0.020 1 869 67 88 ASN HA H 5.362 0.020 1 870 67 88 ASN HB2 H 2.861 0.020 2 871 67 88 ASN HB3 H 2.991 0.020 2 872 67 88 ASN HD21 H 6.014 0.020 2 873 67 88 ASN HD22 H 7.845 0.020 2 874 67 88 ASN C C 177.377 0.200 1 875 67 88 ASN CA C 52.567 0.200 1 876 67 88 ASN CB C 39.138 0.200 1 877 67 88 ASN CG C 174.767 0.200 1 878 67 88 ASN N N 125.287 0.200 1 879 67 88 ASN ND2 N 108.492 0.200 1 880 68 89 SER H H 8.719 0.020 1 881 68 89 SER HA H 3.872 0.020 1 882 68 89 SER HB2 H 3.966 0.020 2 883 68 89 SER HB3 H 3.990 0.020 2 884 68 89 SER C C 176.957 0.200 1 885 68 89 SER CA C 62.613 0.200 1 886 68 89 SER CB C 62.556 0.200 1 887 68 89 SER N N 116.983 0.200 1 888 69 90 GLY H H 9.215 0.020 1 889 69 90 GLY HA2 H 3.883 0.020 2 890 69 90 GLY HA3 H 4.057 0.020 2 891 69 90 GLY C C 175.057 0.200 1 892 69 90 GLY CA C 46.243 0.200 1 893 69 90 GLY N N 110.596 0.200 1 894 70 91 LEU H H 7.997 0.020 1 895 70 91 LEU HA H 4.348 0.020 1 896 70 91 LEU HB2 H 1.476 0.020 2 897 70 91 LEU HB3 H 1.734 0.020 2 898 70 91 LEU HG H 1.701 0.020 1 899 70 91 LEU HD1 H 0.911 0.020 2 900 70 91 LEU HD2 H 0.646 0.020 2 901 70 91 LEU C C 175.947 0.200 1 902 70 91 LEU CA C 54.724 0.200 1 903 70 91 LEU CB C 42.009 0.200 1 904 70 91 LEU CG C 27.007 0.200 1 905 70 91 LEU CD1 C 23.168 0.200 1 906 70 91 LEU CD2 C 26.015 0.200 1 907 70 91 LEU N N 117.568 0.200 1 908 71 92 LEU H H 6.996 0.020 1 909 71 92 LEU HA H 4.650 0.020 1 910 71 92 LEU HB2 H 1.489 0.020 2 911 71 92 LEU HB3 H 1.669 0.020 2 912 71 92 LEU HG H 1.633 0.020 1 913 71 92 LEU HD1 H 0.579 0.020 2 914 71 92 LEU HD2 H 0.772 0.020 2 915 71 92 LEU C C 177.337 0.200 1 916 71 92 LEU CA C 53.993 0.200 1 917 71 92 LEU CB C 43.537 0.200 1 918 71 92 LEU CG C 26.267 0.200 1 919 71 92 LEU CD1 C 22.16 0.200 1 920 71 92 LEU CD2 C 25.127 0.200 1 921 71 92 LEU N N 116.764 0.200 1 922 72 93 LYS H H 8.459 0.020 1 923 72 93 LYS HA H 4.046 0.020 1 924 72 93 LYS HB2 H 1.551 0.020 2 925 72 93 LYS HB3 H 1.741 0.020 2 926 72 93 LYS HG2 H 1.280 0.020 2 927 72 93 LYS HG3 H 1.270 0.020 2 928 72 93 LYS HD2 H 1.600 0.020 2 929 72 93 LYS HD3 H 1.603 0.020 2 930 72 93 LYS HE2 H 2.964 0.020 2 931 72 93 LYS HE3 H 2.960 0.020 2 932 72 93 LYS C C 176.737 0.200 1 933 72 93 LYS CA C 56.925 0.200 1 934 72 93 LYS CB C 33.368 0.200 1 935 72 93 LYS CG C 25.432 0.200 1 936 72 93 LYS CD C 29.862 0.200 1 937 72 93 LYS CE C 42.054 0.200 1 938 72 93 LYS N N 121.475 0.200 1 939 73 94 ASP H H 8.426 0.020 1 940 73 94 ASP HA H 4.417 0.020 1 941 73 94 ASP HB2 H 2.579 0.020 2 942 73 94 ASP HB3 H 2.665 0.020 2 943 73 94 ASP C C 176.787 0.200 1 944 73 94 ASP CA C 55.281 0.200 1 945 73 94 ASP CB C 40.901 0.200 1 946 73 94 ASP N N 122.668 0.200 1 947 74 95 GLY H H 8.368 0.020 1 948 74 95 GLY HA2 H 3.763 0.020 2 949 74 95 GLY HA3 H 4.056 0.020 2 950 74 95 GLY C C 173.767 0.200 1 951 74 95 GLY CA C 45.681 0.200 1 952 74 95 GLY N N 109.702 0.200 1 953 75 96 ASP H H 7.921 0.020 1 954 75 96 ASP HA H 4.597 0.020 1 955 75 96 ASP HB2 H 2.524 0.020 2 956 75 96 ASP HB3 H 2.673 0.020 2 957 75 96 ASP C C 175.467 0.200 1 958 75 96 ASP CA C 54.129 0.200 1 959 75 96 ASP CB C 41.934 0.200 1 960 75 96 ASP N N 120.154 0.200 1 961 76 97 ALA H H 8.222 0.020 1 962 76 97 ALA HA H 4.220 0.020 1 963 76 97 ALA HB H 1.360 0.020 1 964 76 97 ALA C C 177.337 0.200 1 965 76 97 ALA CA C 53.156 0.200 1 966 76 97 ALA CB C 19.135 0.200 1 967 76 97 ALA N N 123.637 0.200 1 968 77 98 GLN H H 8.204 0.020 1 969 77 98 GLN HA H 4.219 0.020 1 970 77 98 GLN HB2 H 1.976 0.020 2 971 77 98 GLN HB3 H 2.120 0.020 2 972 77 98 GLN HG2 H 2.291 0.020 2 973 77 98 GLN HG3 H 2.203 0.020 2 974 77 98 GLN HE21 H 6.800 0.020 2 975 77 98 GLN HE22 H 7.521 0.020 2 976 77 98 GLN C C 175.757 0.200 1 977 77 98 GLN CA C 56.187 0.200 1 978 77 98 GLN CB C 29.237 0.200 1 979 77 98 GLN CG C 34.46 0.200 1 980 77 98 GLN CD C 180.567 0.200 1 981 77 98 GLN N N 115.385 0.200 1 982 77 98 GLN NE2 N 112.894 0.200 1 983 78 99 SER H H 7.965 0.020 1 984 78 99 SER HA H 4.518 0.020 1 985 78 99 SER HB2 H 3.630 0.020 2 986 78 99 SER HB3 H 3.701 0.020 2 987 78 99 SER C C 172.767 0.200 1 988 78 99 SER CA C 57.359 0.200 1 989 78 99 SER CB C 64.628 0.200 1 990 78 99 SER N N 116.784 0.200 1 991 79 100 LEU H H 8.173 0.020 1 992 79 100 LEU HA H 4.384 0.020 1 993 79 100 LEU HB2 H 1.379 0.020 2 994 79 100 LEU HB3 H 1.506 0.020 2 995 79 100 LEU HG H 1.604 0.020 1 996 79 100 LEU HD1 H 0.625 0.020 2 997 79 100 LEU HD2 H 0.584 0.020 2 998 79 100 LEU C C 178.137 0.200 1 999 79 100 LEU CA C 55.007 0.200 1 1000 79 100 LEU CB C 43.092 0.200 1 1001 79 100 LEU CG C 26.976 0.200 1 1002 79 100 LEU CD1 C 25.2 0.200 1 1003 79 100 LEU CD2 C 24.26 0.200 1 1004 79 100 LEU N N 125.016 0.200 1 1005 80 101 LYS H H 8.282 0.020 1 1006 80 101 LYS HA H 3.867 0.020 1 1007 80 101 LYS HB2 H 1.374 0.020 2 1008 80 101 LYS HB3 H 1.742 0.020 2 1009 80 101 LYS HG2 H 1.170 0.020 2 1010 80 101 LYS HG3 H 1.297 0.020 2 1011 80 101 LYS HD2 H 1.604 0.020 2 1012 80 101 LYS HD3 H 1.620 0.020 2 1013 80 101 LYS HE2 H 2.930 0.020 1 1014 80 101 LYS HE3 H 2.930 0.020 1 1015 80 101 LYS C C 176.457 0.200 1 1016 80 101 LYS CA C 57.95 0.200 1 1017 80 101 LYS CB C 33.666 0.200 1 1018 80 101 LYS CG C 26.434 0.200 1 1019 80 101 LYS CD C 29.982 0.200 1 1020 80 101 LYS CE C 42.151 0.200 1 1021 80 101 LYS N N 122.032 0.200 1 1022 81 102 GLU H H 8.450 0.020 1 1023 81 102 GLU HA H 3.935 0.020 1 1024 81 102 GLU HB2 H 1.650 0.020 2 1025 81 102 GLU HB3 H 1.651 0.020 2 1026 81 102 GLU HG2 H 2.152 0.020 2 1027 81 102 GLU HG3 H 2.150 0.020 2 1028 81 102 GLU C C 176.697 0.200 1 1029 81 102 GLU CA C 57.664 0.200 1 1030 81 102 GLU CB C 30.201 0.200 1 1031 81 102 GLU CG C 36.792 0.200 1 1032 81 102 GLU N N 119.110 0.200 1 1033 82 103 HIS H H 8.160 0.020 1 1034 82 103 HIS HA H 4.496 0.020 1 1035 82 103 HIS HB2 H 3.129 0.020 2 1036 82 103 HIS HB3 H 3.221 0.020 2 1037 82 103 HIS HD2 H 6.991 0.020 1 1038 82 103 HIS C C 174.787 0.200 1 1039 82 103 HIS CA C 56.043 0.200 1 1040 82 103 HIS CB C 28.734 0.200 1 1041 82 103 HIS CD2 C 119.758 0.200 1 1042 82 103 HIS N N 114.071 0.200 1 1043 83 104 LEU H H 7.484 0.020 1 1044 83 104 LEU HA H 4.430 0.020 1 1045 83 104 LEU HB2 H 1.320 0.020 2 1046 83 104 LEU HB3 H 1.870 0.020 2 1047 83 104 LEU HG H 1.463 0.020 1 1048 83 104 LEU HD1 H 0.794 0.020 2 1049 83 104 LEU HD2 H 0.951 0.020 2 1050 83 104 LEU CA C 54.583 0.200 1 1051 83 104 LEU CB C 43.928 0.200 1 1052 83 104 LEU CG C 26.159 0.200 1 1053 83 104 LEU CD1 C 22.908 0.200 1 1054 83 104 LEU CD2 C 27.434 0.200 1 1055 83 104 LEU N N 119.392 0.200 1 1056 84 105 ILE H H 10.217 0.020 1 1057 84 105 ILE HA H 4.255 0.020 1 1058 84 105 ILE HB H 1.745 0.020 1 1059 84 105 ILE HG12 H 1.123 0.020 2 1060 84 105 ILE HG13 H 1.539 0.020 2 1061 84 105 ILE HG2 H 0.964 0.020 1 1062 84 105 ILE HD1 H 0.798 0.020 1 1063 84 105 ILE C C 175.517 0.200 1 1064 84 105 ILE CA C 60.267 0.200 1 1065 84 105 ILE CB C 39.627 0.200 1 1066 84 105 ILE CG1 C 27.265 0.200 1 1067 84 105 ILE CG2 C 17.237 0.200 1 1068 84 105 ILE CD1 C 12.477 0.200 1 1069 85 106 ASP H H 8.452 0.020 1 1070 85 106 ASP HA H 3.078 0.020 1 1071 85 106 ASP HB2 H 2.395 0.020 2 1072 85 106 ASP HB3 H 2.495 0.020 2 1073 85 106 ASP C C 176.787 0.200 1 1074 85 106 ASP CA C 55.799 0.200 1 1075 85 106 ASP CB C 40.923 0.200 1 1076 85 106 ASP N N 128.956 0.200 1 1077 86 107 GLU H H 8.195 0.020 1 1078 86 107 GLU HA H 3.618 0.020 1 1079 86 107 GLU HB2 H 2.147 0.020 2 1080 86 107 GLU HB3 H 2.299 0.020 2 1081 86 107 GLU HG2 H 2.127 0.020 2 1082 86 107 GLU HG3 H 2.120 0.020 2 1083 86 107 GLU C C 177.047 0.200 1 1084 86 107 GLU CA C 60.926 0.200 1 1085 86 107 GLU CB C 28.567 0.200 1 1086 86 107 GLU CG C 36.937 0.200 1 1087 86 107 GLU N N 120.847 0.200 1 1088 87 108 LEU H H 7.881 0.020 1 1089 87 108 LEU HA H 4.251 0.020 1 1090 87 108 LEU HB2 H 1.414 0.020 2 1091 87 108 LEU HB3 H 1.516 0.020 2 1092 87 108 LEU HG H 1.531 0.020 1 1093 87 108 LEU HD1 H 0.875 0.020 2 1094 87 108 LEU HD2 H 0.845 0.020 2 1095 87 108 LEU C C 178.367 0.200 1 1096 87 108 LEU CA C 56.895 0.200 1 1097 87 108 LEU CB C 42.715 0.200 1 1098 87 108 LEU CG C 27.426 0.200 1 1099 87 108 LEU CD1 C 24.234 0.200 1 1100 87 108 LEU CD2 C 24.305 0.200 1 1101 87 108 LEU N N 121.020 0.200 1 1102 88 109 ASP H H 8.638 0.020 1 1103 88 109 ASP HA H 4.794 0.020 1 1104 88 109 ASP HB2 H 2.655 0.020 2 1105 88 109 ASP HB3 H 2.708 0.020 2 1106 88 109 ASP C C 175.867 0.200 1 1107 88 109 ASP CA C 56.147 0.200 1 1108 88 109 ASP CB C 44.026 0.200 1 1109 88 109 ASP N N 115.818 0.200 1 1110 89 110 TYR H H 6.926 0.020 1 1111 89 110 TYR HA H 5.392 0.020 1 1112 89 110 TYR HB2 H 2.734 0.020 2 1113 89 110 TYR HB3 H 2.843 0.020 2 1114 89 110 TYR HD1 H 6.506 0.020 1 1115 89 110 TYR HD2 H 6.506 0.020 1 1116 89 110 TYR HE1 H 6.397 0.020 1 1117 89 110 TYR HE2 H 6.397 0.020 1 1118 89 110 TYR C C 171.767 0.200 1 1119 89 110 TYR CA C 55.286 0.200 1 1120 89 110 TYR CB C 41.097 0.200 1 1121 89 110 TYR CD1 C 133.299 0.200 1 1122 89 110 TYR CD2 C 133.299 0.200 1 1123 89 110 TYR CE1 C 117.467 0.200 1 1124 89 110 TYR CE2 C 117.467 0.200 1 1125 89 110 TYR N N 113.511 0.200 1 1126 90 111 ILE H H 8.975 0.020 1 1127 90 111 ILE HA H 4.574 0.020 1 1128 90 111 ILE HB H 1.468 0.020 1 1129 90 111 ILE HG12 H 0.600 0.020 2 1130 90 111 ILE HG13 H 0.975 0.020 2 1131 90 111 ILE HG2 H 0.420 0.020 1 1132 90 111 ILE HD1 H 0.311 0.020 1 1133 90 111 ILE C C 174.737 0.200 1 1134 90 111 ILE CA C 57.825 0.200 1 1135 90 111 ILE CB C 41.186 0.200 1 1136 90 111 ILE CG1 C 27.23 0.200 1 1137 90 111 ILE CG2 C 18.861 0.200 1 1138 90 111 ILE CD1 C 13.459 0.200 1 1139 90 111 ILE N N 116.822 0.200 1 1140 91 112 LEU H H 8.331 0.020 1 1141 91 112 LEU HA H 5.248 0.020 1 1142 91 112 LEU HB2 H 1.442 0.020 2 1143 91 112 LEU HB3 H 1.651 0.020 2 1144 91 112 LEU HG H 1.643 0.020 1 1145 91 112 LEU HD1 H 0.607 0.020 2 1146 91 112 LEU HD2 H 0.649 0.020 2 1147 91 112 LEU C C 176.287 0.200 1 1148 91 112 LEU CA C 53.56 0.200 1 1149 91 112 LEU CB C 44.676 0.200 1 1150 91 112 LEU CG C 27.081 0.200 1 1151 91 112 LEU CD1 C 25.226 0.200 1 1152 91 112 LEU CD2 C 25.586 0.200 1 1153 91 112 LEU N N 124.117 0.200 1 1154 92 113 LEU H H 9.403 0.020 1 1155 92 113 LEU HA H 5.038 0.020 1 1156 92 113 LEU HB2 H 1.385 0.020 2 1157 92 113 LEU HB3 H 1.586 0.020 2 1158 92 113 LEU HG H 1.552 0.020 1 1159 92 113 LEU HD1 H 0.754 0.020 2 1160 92 113 LEU HD2 H 0.721 0.020 2 1161 92 113 LEU CA C 50.662 0.200 1 1162 92 113 LEU CB C 46.099 0.200 1 1163 92 113 LEU CG C 27.188 0.200 1 1164 92 113 LEU CD1 C 24.759 0.200 1 1165 92 113 LEU CD2 C 27.37 0.200 1 1166 92 113 LEU N N 122.031 0.200 1 1167 93 114 PRO HA H 3.795 0.020 1 1168 93 114 PRO HB2 H 1.273 0.020 2 1169 93 114 PRO HB3 H 1.845 0.020 2 1170 93 114 PRO HG2 H 1.504 0.020 2 1171 93 114 PRO HG3 H 1.654 0.020 2 1172 93 114 PRO HD2 H 3.099 0.020 2 1173 93 114 PRO HD3 H 3.375 0.020 2 1174 93 114 PRO C C 177.277 0.200 1 1175 93 114 PRO CA C 61.683 0.200 1 1176 93 114 PRO CB C 31.656 0.200 1 1177 93 114 PRO CG C 27.412 0.200 1 1178 93 114 PRO CD C 49.223 0.200 1 1179 94 115 THR H H 8.690 0.020 1 1180 94 115 THR HA H 3.837 0.020 1 1181 94 115 THR HB H 4.174 0.020 1 1182 94 115 THR HG2 H 1.196 0.020 1 1183 94 115 THR C C 175.097 0.200 1 1184 94 115 THR CA C 68.405 0.200 1 1185 94 115 THR CB C 69.428 0.200 1 1186 94 115 THR CG2 C 21.641 0.200 1 1187 94 115 THR N N 119.135 0.200 1 1188 95 116 GLU H H 9.283 0.020 1 1189 95 116 GLU HA H 3.933 0.020 1 1190 95 116 GLU HB2 H 1.716 0.020 2 1191 95 116 GLU HB3 H 1.943 0.020 2 1192 95 116 GLU HG2 H 2.151 0.020 2 1193 95 116 GLU HG3 H 2.241 0.020 2 1194 95 116 GLU C C 179.287 0.200 1 1195 95 116 GLU CA C 59.791 0.200 1 1196 95 116 GLU CB C 29.941 0.200 1 1197 95 116 GLU CG C 36.543 0.200 1 1198 95 116 GLU N N 117.715 0.200 1 1199 96 117 GLY H H 7.277 0.020 1 1200 96 117 GLY HA2 H 3.048 0.020 2 1201 96 117 GLY HA3 H 3.524 0.020 2 1202 96 117 GLY C C 172.867 0.200 1 1203 96 117 GLY CA C 47.368 0.200 1 1204 96 117 GLY N N 102.927 0.200 1 1205 97 118 TRP H H 7.979 0.020 1 1206 97 118 TRP HA H 3.824 0.020 1 1207 97 118 TRP HB2 H 2.614 0.020 2 1208 97 118 TRP HB3 H 2.609 0.020 2 1209 97 118 TRP HD1 H 6.152 0.020 1 1210 97 118 TRP HE1 H 9.751 0.020 1 1211 97 118 TRP HE3 H 6.915 0.020 1 1212 97 118 TRP HZ2 H 6.948 0.020 1 1213 97 118 TRP HZ3 H 6.690 0.020 1 1214 97 118 TRP HH2 H 6.790 0.020 1 1215 97 118 TRP C C 175.437 0.200 1 1216 97 118 TRP CA C 59.762 0.200 1 1217 97 118 TRP CB C 29.639 0.200 1 1218 97 118 TRP CD1 C 127.708 0.200 1 1219 97 118 TRP CE3 C 120.02 0.200 1 1220 97 118 TRP CZ2 C 113.595 0.200 1 1221 97 118 TRP CZ3 C 120.022 0.200 1 1222 97 118 TRP CH2 C 122.018 0.200 1 1223 97 118 TRP N N 122.822 0.200 1 1224 97 118 TRP NE1 N 129.522 0.200 1 1225 98 119 ASN H H 8.350 0.020 1 1226 98 119 ASN HA H 3.705 0.020 1 1227 98 119 ASN HB2 H 2.481 0.020 2 1228 98 119 ASN HB3 H 2.480 0.020 2 1229 98 119 ASN HD21 H 6.657 0.020 2 1230 98 119 ASN HD22 H 7.419 0.020 2 1231 98 119 ASN C C 178.967 0.200 1 1232 98 119 ASN CA C 55.305 0.200 1 1233 98 119 ASN CB C 37.052 0.200 1 1234 98 119 ASN CG C 175.167 0.200 1 1235 98 119 ASN N N 113.480 0.200 1 1236 98 119 ASN ND2 N 110.388 0.200 1 1237 99 120 LYS H H 7.037 0.020 1 1238 99 120 LYS HA H 3.015 0.020 1 1239 99 120 LYS HB2 H 0.076 0.020 2 1240 99 120 LYS HB3 H 1.133 0.020 2 1241 99 120 LYS HG2 H 1.035 0.020 2 1242 99 120 LYS HG3 H 1.347 0.020 2 1243 99 120 LYS HD2 H 1.240 0.020 2 1244 99 120 LYS HD3 H 1.676 0.020 2 1245 99 120 LYS HE2 H 2.841 0.020 2 1246 99 120 LYS HE3 H 2.958 0.020 2 1247 99 120 LYS C C 176.617 0.200 1 1248 99 120 LYS CA C 59.68 0.200 1 1249 99 120 LYS CB C 31.821 0.200 1 1250 99 120 LYS CG C 27.07 0.200 1 1251 99 120 LYS CD C 29.531 0.200 1 1252 99 120 LYS CE C 42.43 0.200 1 1253 99 120 LYS N N 120.159 0.200 1 1254 100 121 LEU H H 7.233 0.020 1 1255 100 121 LEU HA H 3.840 0.020 1 1256 100 121 LEU HB2 H 0.998 0.020 2 1257 100 121 LEU HB3 H 1.302 0.020 2 1258 100 121 LEU HG H 1.546 0.020 1 1259 100 121 LEU HD1 H 0.637 0.020 2 1260 100 121 LEU HD2 H 0.571 0.020 2 1261 100 121 LEU C C 179.267 0.200 1 1262 100 121 LEU CA C 58.682 0.200 1 1263 100 121 LEU CB C 41.767 0.200 1 1264 100 121 LEU CG C 26.266 0.200 1 1265 100 121 LEU CD1 C 22.201 0.200 1 1266 100 121 LEU CD2 C 26.149 0.200 1 1267 100 121 LEU N N 117.203 0.200 1 1268 101 122 VAL H H 7.887 0.020 1 1269 101 122 VAL HA H 2.720 0.020 1 1270 101 122 VAL HB H 1.146 0.020 1 1271 101 122 VAL HG1 H 0.442 0.020 2 1272 101 122 VAL HG2 H -0.495 0.020 2 1273 101 122 VAL C C 179.517 0.200 1 1274 101 122 VAL CA C 66.443 0.200 1 1275 101 122 VAL CB C 31.251 0.200 1 1276 101 122 VAL CG1 C 21.36 0.200 1 1277 101 122 VAL CG2 C 22.829 0.200 1 1278 101 122 VAL N N 118.521 0.200 1 1279 102 123 SER H H 7.514 0.020 1 1280 102 123 SER HA H 3.943 0.020 1 1281 102 123 SER HB2 H 3.679 0.020 2 1282 102 123 SER HB3 H 3.632 0.020 2 1283 102 123 SER C C 175.737 0.200 1 1284 102 123 SER CA C 61.59 0.200 1 1285 102 123 SER CB C 62.486 0.200 1 1286 102 123 SER N N 118.002 0.200 1 1287 103 124 TRP H H 7.760 0.020 1 1288 103 124 TRP HA H 4.643 0.020 1 1289 103 124 TRP HB2 H 2.585 0.020 2 1290 103 124 TRP HB3 H 3.420 0.020 2 1291 103 124 TRP HD1 H 7.046 0.020 1 1292 103 124 TRP HE1 H 10.213 0.020 1 1293 103 124 TRP HE3 H 7.623 0.020 1 1294 103 124 TRP HZ2 H 7.563 0.020 1 1295 103 124 TRP HZ3 H 7.094 0.020 1 1296 103 124 TRP HH2 H 7.381 0.020 1 1297 103 124 TRP C C 177.747 0.200 1 1298 103 124 TRP CA C 57.24 0.200 1 1299 103 124 TRP CB C 31.239 0.200 1 1300 103 124 TRP CD1 C 124.225 0.200 1 1301 103 124 TRP CE3 C 121.071 0.200 1 1302 103 124 TRP CZ2 C 114.867 0.200 1 1303 103 124 TRP CZ3 C 120.577 0.200 1 1304 103 124 TRP CH2 C 124.754 0.200 1 1305 103 124 TRP N N 119.771 0.200 1 1306 103 124 TRP NE1 N 128.258 0.200 1 1307 104 125 TYR H H 8.457 0.020 1 1308 104 125 TYR HA H 4.460 0.020 1 1309 104 125 TYR HB2 H 2.701 0.020 2 1310 104 125 TYR HB3 H 3.578 0.020 2 1311 104 125 TYR C C 177.817 0.200 1 1312 104 125 TYR CA C 60.887 0.200 1 1313 104 125 TYR CB C 40.737 0.200 1 1314 104 125 TYR N N 114.465 0.200 1 1315 105 126 THR H H 8.193 0.020 1 1316 105 126 THR HA H 4.202 0.020 1 1317 105 126 THR HB H 4.261 0.020 1 1318 105 126 THR HG2 H 1.100 0.020 1 1319 105 126 THR C C 170.267 0.200 1 1320 105 126 THR CA C 64.861 0.200 1 1321 105 126 THR CB C 70.396 0.200 1 1322 105 126 THR CG2 C 22.4 0.200 1 1323 105 126 THR N N 113.854 0.200 1 1324 106 127 LEU H H 8.125 0.020 1 1325 106 127 LEU HA H 4.365 0.020 1 1326 106 127 LEU HB2 H 0.942 0.020 2 1327 106 127 LEU HB3 H 1.716 0.020 2 1328 106 127 LEU HG H 1.609 0.020 1 1329 106 127 LEU HD1 H 0.901 0.020 2 1330 106 127 LEU HD2 H 0.767 0.020 2 1331 106 127 LEU C C 175.787 0.200 1 1332 106 127 LEU CA C 53.438 0.200 1 1333 106 127 LEU CB C 44.913 0.200 1 1334 106 127 LEU CG C 26.512 0.200 1 1335 106 127 LEU CD1 C 23.794 0.200 1 1336 106 127 LEU CD2 C 26.633 0.200 1 1337 106 127 LEU N N 119.706 0.200 1 1338 107 128 MET H H 8.302 0.020 1 1339 107 128 MET HA H 3.907 0.020 1 1340 107 128 MET HB2 H 2.540 0.020 2 1341 107 128 MET HB3 H 2.542 0.020 2 1342 107 128 MET HG2 H 1.773 0.020 2 1343 107 128 MET HG3 H 1.873 0.020 2 1344 107 128 MET HE H 2.088 0.020 1 1345 107 128 MET C C 175.267 0.200 1 1346 107 128 MET CA C 56.759 0.200 1 1347 107 128 MET CB C 32.46 0.200 1 1348 107 128 MET CG C 32.598 0.200 1 1349 107 128 MET CE C 17.49 0.200 1 1350 107 128 MET N N 126.168 0.200 1 1351 108 129 GLU H H 8.356 0.020 1 1352 108 129 GLU HA H 4.004 0.020 1 1353 108 129 GLU HB2 H 1.936 0.020 2 1354 108 129 GLU HB3 H 2.016 0.020 2 1355 108 129 GLU HG2 H 2.270 0.020 1 1356 108 129 GLU HG3 H 2.270 0.020 1 1357 108 129 GLU C C 177.197 0.200 1 1358 108 129 GLU CA C 58.256 0.200 1 1359 108 129 GLU CB C 29.862 0.200 1 1360 108 129 GLU CG C 36.075 0.200 1 1361 108 129 GLU N N 125.721 0.200 1 1362 109 130 GLY H H 8.777 0.020 1 1363 109 130 GLY HA2 H 3.645 0.020 2 1364 109 130 GLY HA3 H 4.271 0.020 2 1365 109 130 GLY C C 174.237 0.200 1 1366 109 130 GLY CA C 45.177 0.200 1 1367 109 130 GLY N N 112.926 0.200 1 1368 110 131 GLN H H 7.622 0.020 1 1369 110 131 GLN HA H 4.612 0.020 1 1370 110 131 GLN HB2 H 1.936 0.020 2 1371 110 131 GLN HB3 H 2.059 0.020 2 1372 110 131 GLN HG2 H 2.145 0.020 2 1373 110 131 GLN HG3 H 2.327 0.020 2 1374 110 131 GLN HE21 H 7.336 0.020 2 1375 110 131 GLN HE22 H 7.742 0.020 2 1376 110 131 GLN C C 174.657 0.200 1 1377 110 131 GLN CA C 55.048 0.200 1 1378 110 131 GLN CB C 30.945 0.200 1 1379 110 131 GLN CG C 34.473 0.200 1 1380 110 131 GLN CD C 179.667 0.200 1 1381 110 131 GLN N N 117.871 0.200 1 1382 110 131 GLN NE2 N 110.941 0.200 1 1383 111 132 GLU H H 8.402 0.020 1 1384 111 132 GLU HA H 4.834 0.020 1 1385 111 132 GLU HB2 H 1.667 0.020 2 1386 111 132 GLU HB3 H 2.059 0.020 2 1387 111 132 GLU HG2 H 2.190 0.020 1 1388 111 132 GLU HG3 H 2.190 0.020 1 1389 111 132 GLU CA C 53.427 0.200 1 1390 111 132 GLU CB C 30.966 0.200 1 1391 111 132 GLU CG C 35.892 0.200 1 1392 111 132 GLU N N 119.900 0.200 1 1393 112 133 PRO HA H 3.987 0.020 1 1394 112 133 PRO HB2 H 1.635 0.020 2 1395 112 133 PRO HB3 H 1.869 0.020 2 1396 112 133 PRO HG2 H 2.030 0.020 2 1397 112 133 PRO HG3 H 2.239 0.020 2 1398 112 133 PRO HD2 H 3.630 0.020 2 1399 112 133 PRO HD3 H 3.828 0.020 2 1400 112 133 PRO C C 175.257 0.200 1 1401 112 133 PRO CA C 62.996 0.200 1 1402 112 133 PRO CB C 32.774 0.200 1 1403 112 133 PRO CG C 28.419 0.200 1 1404 112 133 PRO CD C 50.726 0.200 1 1405 113 134 ILE H H 9.086 0.020 1 1406 113 134 ILE HA H 3.931 0.020 1 1407 113 134 ILE HB H 1.547 0.020 1 1408 113 134 ILE HG12 H 0.802 0.020 2 1409 113 134 ILE HG13 H 0.822 0.020 2 1410 113 134 ILE HG2 H 0.620 0.020 1 1411 113 134 ILE HD1 H 0.700 0.020 1 1412 113 134 ILE C C 172.567 0.200 1 1413 113 134 ILE CA C 60.628 0.200 1 1414 113 134 ILE CB C 38.1 0.200 1 1415 113 134 ILE CG1 C 26.364 0.200 1 1416 113 134 ILE CG2 C 19.242 0.200 1 1417 113 134 ILE CD1 C 15.054 0.200 1 1418 113 134 ILE N N 125.447 0.200 1 1419 114 135 ALA H H 7.778 0.020 1 1420 114 135 ALA HA H 4.153 0.020 1 1421 114 135 ALA HB H 0.681 0.020 1 1422 114 135 ALA C C 177.837 0.200 1 1423 114 135 ALA CA C 50.226 0.200 1 1424 114 135 ALA CB C 21.113 0.200 1 1425 114 135 ALA N N 127.598 0.200 1 1426 115 136 ARG H H 8.928 0.020 1 1427 115 136 ARG HA H 4.261 0.020 1 1428 115 136 ARG HB2 H 1.268 0.020 2 1429 115 136 ARG HB3 H 1.396 0.020 2 1430 115 136 ARG HG2 H 1.249 0.020 2 1431 115 136 ARG HG3 H 1.250 0.020 2 1432 115 136 ARG HD2 H 2.814 0.020 2 1433 115 136 ARG HD3 H 3.047 0.020 2 1434 115 136 ARG C C 174.467 0.200 1 1435 115 136 ARG CA C 54.725 0.200 1 1436 115 136 ARG CB C 33.181 0.200 1 1437 115 136 ARG CG C 26.258 0.200 1 1438 115 136 ARG CD C 43.412 0.200 1 1439 115 136 ARG N N 122.580 0.200 1 1440 116 137 LYS H H 8.377 0.020 1 1441 116 137 LYS HA H 4.596 0.020 1 1442 116 137 LYS HB2 H 1.540 0.020 1 1443 116 137 LYS HB3 H 1.540 0.020 1 1444 116 137 LYS HG2 H 1.247 0.020 2 1445 116 137 LYS HG3 H 1.222 0.020 2 1446 116 137 LYS HD2 H 1.520 0.020 1 1447 116 137 LYS HD3 H 1.520 0.020 1 1448 116 137 LYS HE2 H 2.840 0.020 1 1449 116 137 LYS HE3 H 2.840 0.020 1 1450 116 137 LYS C C 176.567 0.200 1 1451 116 137 LYS CA C 55.603 0.200 1 1452 116 137 LYS CB C 33.107 0.200 1 1453 116 137 LYS CG C 24.844 0.200 1 1454 116 137 LYS CD C 29.035 0.200 1 1455 116 137 LYS CE C 42.067 0.200 1 1456 116 137 LYS N N 125.888 0.200 1 1457 117 138 VAL H H 8.303 0.020 1 1458 117 138 VAL HA H 3.848 0.020 1 1459 117 138 VAL HB H 1.958 0.020 1 1460 117 138 VAL HG1 H 0.619 0.020 2 1461 117 138 VAL HG2 H 0.599 0.020 2 1462 117 138 VAL C C 176.217 0.200 1 1463 117 138 VAL CA C 62.808 0.200 1 1464 117 138 VAL CB C 32.191 0.200 1 1465 117 138 VAL CG1 C 21.294 0.200 1 1466 117 138 VAL CG2 C 21.267 0.200 1 1467 117 138 VAL N N 123.813 0.200 1 1468 118 139 VAL H H 8.148 0.020 1 1469 118 139 VAL HA H 4.150 0.020 1 1470 118 139 VAL HB H 2.044 0.020 1 1471 118 139 VAL HG1 H 0.827 0.020 2 1472 118 139 VAL HG2 H 0.797 0.020 2 1473 118 139 VAL C C 175.287 0.200 1 1474 118 139 VAL CA C 61.619 0.200 1 1475 118 139 VAL CB C 33.479 0.200 1 1476 118 139 VAL CG1 C 21.367 0.200 1 1477 118 139 VAL CG2 C 19.946 0.200 1 1478 118 139 VAL N N 124.229 0.200 1 1479 119 140 GLU H H 8.287 0.020 1 1480 119 140 GLU HA H 4.219 0.020 1 1481 119 140 GLU HB2 H 1.829 0.020 2 1482 119 140 GLU HB3 H 1.978 0.020 2 1483 119 140 GLU HG2 H 2.180 0.020 1 1484 119 140 GLU HG3 H 2.180 0.020 1 1485 119 140 GLU C C 175.067 0.200 1 1486 119 140 GLU CA C 56.526 0.200 1 1487 119 140 GLU CB C 30.866 0.200 1 1488 119 140 GLU CG C 36.361 0.200 1 1489 119 140 GLU N N 123.326 0.200 1 1490 120 141 GLN H H 7.946 0.020 1 1491 120 141 GLN HA H 4.083 0.020 1 1492 120 141 GLN HB2 H 1.856 0.020 2 1493 120 141 GLN HB3 H 1.991 0.020 2 1494 120 141 GLN HG2 H 2.210 0.020 1 1495 120 141 GLN HG3 H 2.210 0.020 1 1496 120 141 GLN HE21 H 6.742 0.020 2 1497 120 141 GLN HE22 H 7.454 0.020 2 1498 120 141 GLN C C 180.267 0.200 1 1499 120 141 GLN CA C 57.347 0.200 1 1500 120 141 GLN CB C 30.637 0.200 1 1501 120 141 GLN CG C 34.269 0.200 1 1502 120 141 GLN N N 126.280 0.200 1 1503 120 141 GLN NE2 N 112.195 0.200 1 stop_ save_