data_19392 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Bcl10 CARD ; _BMRB_accession_number 19392 _BMRB_flat_file_name bmr19392.str _Entry_type original _Submission_date 2013-07-26 _Accession_date 2013-07-26 _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 Zheng Chao . . 2 Bracken Clay . . 3 Wu Hao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 637 "13C chemical shifts" 466 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-14 original author . stop_ _Original_release_date 2013-10-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24074955 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qiao Qi . . 2 Yang Chenghua . . 3 Zheng Chao . . 4 Fontan Lorena . . 5 David Liron . . 6 Yu Xiong . . 7 Bracken Clay . . 8 Rosen Monica . . 9 Melnick Ari H. . 10 Egelman Edward . . 11 Wu Hao . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 51 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 766 _Page_last 779 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CARMA1/Bcl10/MALT1 Signalosome: Nucleation Induced Filamentous Assembly' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Bcl10_1 $Bcl10 Bcl10_2 $Bcl10 Bcl10_3 $Bcl10 Bcl10_4 $Bcl10 Bcl10_5 $Bcl10 Bcl10_6 $Bcl10 Bcl10_7 $Bcl10 Bcl10_8 $Bcl10 Bcl10_9 $Bcl10 Bcl10_10 $Bcl10 Bcl10_11 $Bcl10 Bcl10_12 $Bcl10 Bcl10_13 $Bcl10 Bcl10_14 $Bcl10 Bcl10_15 $Bcl10 Bcl10_16 $Bcl10 Bcl10_17 $Bcl10 Bcl10_18 $Bcl10 Bcl10_19 $Bcl10 Bcl10_20 $Bcl10 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_Bcl10 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bcl10 _Molecular_mass 12642.762 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSHMEPTAPSLTEEDLTEVK KDALENLRVYLCEKIIAERH FDHLRAKKILSREDTREISC RTSSRKRAGKLLDYLQENPK GLDTLVESIRREKTQNFLIQ KITDEVLKLRNIKLEHLK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 GLU 6 3 PRO 7 4 THR 8 5 ALA 9 6 PRO 10 7 SER 11 8 LEU 12 9 THR 13 10 GLU 14 11 GLU 15 12 ASP 16 13 LEU 17 14 THR 18 15 GLU 19 16 VAL 20 17 LYS 21 18 LYS 22 19 ASP 23 20 ALA 24 21 LEU 25 22 GLU 26 23 ASN 27 24 LEU 28 25 ARG 29 26 VAL 30 27 TYR 31 28 LEU 32 29 CYS 33 30 GLU 34 31 LYS 35 32 ILE 36 33 ILE 37 34 ALA 38 35 GLU 39 36 ARG 40 37 HIS 41 38 PHE 42 39 ASP 43 40 HIS 44 41 LEU 45 42 ARG 46 43 ALA 47 44 LYS 48 45 LYS 49 46 ILE 50 47 LEU 51 48 SER 52 49 ARG 53 50 GLU 54 51 ASP 55 52 THR 56 53 ARG 57 54 GLU 58 55 ILE 59 56 SER 60 57 CYS 61 58 ARG 62 59 THR 63 60 SER 64 61 SER 65 62 ARG 66 63 LYS 67 64 ARG 68 65 ALA 69 66 GLY 70 67 LYS 71 68 LEU 72 69 LEU 73 70 ASP 74 71 TYR 75 72 LEU 76 73 GLN 77 74 GLU 78 75 ASN 79 76 PRO 80 77 LYS 81 78 GLY 82 79 LEU 83 80 ASP 84 81 THR 85 82 LEU 86 83 VAL 87 84 GLU 88 85 SER 89 86 ILE 90 87 ARG 91 88 ARG 92 89 GLU 93 90 LYS 94 91 THR 95 92 GLN 96 93 ASN 97 94 PHE 98 95 LEU 99 96 ILE 100 97 GLN 101 98 LYS 102 99 ILE 103 100 THR 104 101 ASP 105 102 GLU 106 103 VAL 107 104 LEU 108 105 LYS 109 106 LEU 110 107 ARG 111 108 ASN 112 109 ILE 113 110 LYS 114 111 LEU 115 112 GLU 116 113 HIS 117 114 LEU 118 115 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 2MB9 "Human Bcl10 Card" 100.00 118 100.00 100.00 2.12e-77 DBJ BAA88822 "R-RCD1 [Rattus norvegicus]" 97.46 233 97.39 97.39 9.83e-71 DBJ BAF84035 "unnamed protein product [Homo sapiens]" 97.46 233 99.13 99.13 8.43e-73 DBJ BAI45655 "B-cell CLL/lymphoma 10 [synthetic construct]" 97.46 233 99.13 99.13 8.43e-73 EMBL CAA06955 "bcl-10 [Homo sapiens]" 97.46 233 99.13 99.13 8.43e-73 GB AAC99767 "CARD-containing apoptotic signaling protein [Homo sapiens]" 97.46 233 99.13 99.13 8.43e-73 GB AAD15800 "CIPER protein [Homo sapiens]" 97.46 233 99.13 99.13 8.43e-73 GB AAD16428 "CARD containing molecule enhancing NF-kB [Homo sapiens]" 97.46 233 99.13 99.13 8.43e-73 GB AAD24918 "caspase recruitment domain-containing protein [Homo sapiens]" 97.46 233 99.13 99.13 8.43e-73 GB AAD32597 "CARD-containing proapoptotic protein ME10 [Homo sapiens]" 97.46 233 99.13 99.13 8.43e-73 REF NP_001071496 "B-cell lymphoma/leukemia 10 [Bos taurus]" 97.46 230 99.13 99.13 7.43e-73 REF NP_001096683 "B-cell lymphoma/leukemia 10 [Sus scrofa]" 97.46 233 98.26 98.26 6.72e-72 REF NP_001248144 "B-cell lymphoma/leukemia 10 [Macaca mulatta]" 97.46 233 99.13 99.13 8.34e-73 REF NP_003912 "B-cell lymphoma/leukemia 10 [Homo sapiens]" 97.46 233 99.13 99.13 8.43e-73 REF NP_112618 "B-cell lymphoma/leukemia 10 [Rattus norvegicus]" 97.46 233 97.39 97.39 9.83e-71 SP O95999 "RecName: Full=B-cell lymphoma/leukemia 10; AltName: Full=B-cell CLL/lymphoma 10; Short=Bcl-10; AltName: Full=CARD-containing mo" 97.46 233 99.13 99.13 8.43e-73 SP Q9QYN5 "RecName: Full=B-cell lymphoma/leukemia 10; AltName: Full=B-cell CLL/lymphoma 10; Short=Bcl-10; AltName: Full=R-RCD1; Short=RCD" 97.46 233 97.39 97.39 9.83e-71 TPG DAA31335 "TPA: B-cell CLL/lymphoma 10 [Bos taurus]" 97.46 230 99.13 99.13 7.43e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bcl10 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Bcl10 'recombinant technology' . Escherichia coli . pET28a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Bcl10 . mM 0.3 0.4 '[U-13C; U-15N]' H2O 93 % . . 'natural abundance' D2O 7 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Bcl10_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 0 3 HIS HA H 4.652 . . 2 0 3 HIS HB2 H 3.185 . . 3 0 3 HIS HB3 H 3.113 . . 4 0 3 HIS C C 174.666 . . 5 0 3 HIS CA C 56.088 . . 6 0 3 HIS CB C 29.966 . . 7 1 4 MET H H 8.307 . . 8 1 4 MET HA H 4.437 . . 9 1 4 MET HB2 H 1.905 . . 10 1 4 MET HB3 H 2.014 . . 11 1 4 MET HG2 H 2.43 . . 12 1 4 MET HG3 H 2.478 . . 13 1 4 MET C C 175.646 . . 14 1 4 MET CA C 55.201 . . 15 1 4 MET CB C 33.069 . . 16 1 4 MET CG C 31.995 . . 17 1 4 MET N N 122.021 . . 18 2 5 GLU H H 8.395 . . 19 2 5 GLU HA H 4.57 . . 20 2 5 GLU HB2 H 1.883 . . 21 2 5 GLU HB3 H 2.034 . . 22 2 5 GLU HG2 H 2.436 . . 23 2 5 GLU HG3 H 2.287 . . 24 2 5 GLU C C 174.62 . . 25 2 5 GLU CA C 54.377 . . 26 2 5 GLU CB C 29.731 . . 27 2 5 GLU CG C 36.178 . . 28 2 5 GLU N N 123.797 . . 29 3 6 PRO HA H 4.466 . . 30 3 6 PRO HB2 H 2.289 . . 31 3 6 PRO HB3 H 1.923 . . 32 3 6 PRO HG2 H 2.129 . . 33 3 6 PRO HG3 H 2.017 . . 34 3 6 PRO HD2 H 3.792 . . 35 3 6 PRO HD3 H 3.726 . . 36 3 6 PRO C C 177.015 . . 37 3 6 PRO CA C 63.241 . . 38 3 6 PRO CB C 32.172 . . 39 3 6 PRO CG C 27.418 . . 40 3 6 PRO CD C 50.718 . . 41 4 7 THR H H 8.162 . . 42 4 7 THR HA H 4.263 . . 43 4 7 THR HB H 4.154 . . 44 4 7 THR HG2 H 1.199 . . 45 4 7 THR C C 173.995 . . 46 4 7 THR CA C 61.765 . . 47 4 7 THR CB C 69.933 . . 48 4 7 THR CG2 C 21.692 . . 49 4 7 THR N N 114.442 . . 50 5 8 ALA H H 8.26 . . 51 5 8 ALA HA H 4.605 . . 52 5 8 ALA HB H 1.357 . . 53 5 8 ALA C C 175.299 . . 54 5 8 ALA CA C 50.553 . . 55 5 8 ALA CB C 18.453 . . 56 5 8 ALA N N 127.909 . . 57 6 9 PRO HA H 4.457 . . 58 6 9 PRO HB2 H 1.876 . . 59 6 9 PRO HB3 H 2.281 . . 60 6 9 PRO HG3 H 1.996 . . 61 6 9 PRO HD2 H 3.795 . . 62 6 9 PRO HD3 H 3.631 . . 63 6 9 PRO C C 176.161 . . 64 6 9 PRO CA C 63.09 . . 65 6 9 PRO CB C 32.322 . . 66 6 9 PRO CG C 27.419 . . 67 6 9 PRO CD C 50.452 . . 68 7 10 SER H H 8.249 . . 69 7 10 SER HA H 4.497 . . 70 7 10 SER HB2 H 3.603 . . 71 7 10 SER HB3 H 3.808 . . 72 7 10 SER C C 173.813 . . 73 7 10 SER CA C 57.676 . . 74 7 10 SER CB C 64.673 . . 75 7 10 SER N N 115.227 . . 76 8 11 LEU H H 8.22 . . 77 8 11 LEU HA H 4.656 . . 78 8 11 LEU HB2 H 1.771 . . 79 8 11 LEU HB3 H 1.659 . . 80 8 11 LEU HG H 1.144 . . 81 8 11 LEU HD1 H 0.828 . . 82 8 11 LEU HD2 H 0.887 . . 83 8 11 LEU C C 177.893 . . 84 8 11 LEU CA C 54.606 . . 85 8 11 LEU CB C 42.854 . . 86 8 11 LEU CG C 29.169 . . 87 8 11 LEU CD1 C 24.08 . . 88 8 11 LEU CD2 C 26.304 . . 89 8 11 LEU N N 122.306 . . 90 9 12 THR H H 9.056 . . 91 9 12 THR HA H 4.449 . . 92 9 12 THR HB H 4.648 . . 93 9 12 THR HG2 H 1.343 . . 94 9 12 THR C C 175.386 . . 95 9 12 THR CA C 61.076 . . 96 9 12 THR CB C 71.33 . . 97 9 12 THR CG2 C 22.29 . . 98 9 12 THR N N 114.593 . . 99 10 13 GLU H H 8.819 . . 100 10 13 GLU HA H 4.09 . . 101 10 13 GLU HB3 H 2.033 . . 102 10 13 GLU HG3 H 2.319 . . 103 10 13 GLU C C 178.806 . . 104 10 13 GLU CA C 59.149 . . 105 10 13 GLU CB C 29.545 . . 106 10 13 GLU CG C 36.46 . . 107 10 13 GLU N N 121.18 . . 108 11 14 GLU H H 8.59 . . 109 11 14 GLU HA H 4.107 . . 110 11 14 GLU HB3 H 2.021 . . 111 11 14 GLU HG2 H 2.27 . . 112 11 14 GLU C C 178.67 . . 113 11 14 GLU CA C 59.619 . . 114 11 14 GLU CB C 29.339 . . 115 11 14 GLU N N 120.166 . . 116 12 15 ASP H H 8.011 . . 117 12 15 ASP HA H 4.485 . . 118 12 15 ASP HB2 H 3.03 . . 119 12 15 ASP HB3 H 2.487 . . 120 12 15 ASP C C 178.422 . . 121 12 15 ASP CA C 56.91 . . 122 12 15 ASP CB C 41.766 . . 123 12 15 ASP N N 121.187 . . 124 13 16 LEU H H 8.299 . . 125 13 16 LEU HA H 4.163 . . 126 13 16 LEU HB2 H 1.787 . . 127 13 16 LEU HB3 H 1.71 . . 128 13 16 LEU HG H 1.578 . . 129 13 16 LEU HD1 H 0.849 . . 130 13 16 LEU HD2 H 0.869 . . 131 13 16 LEU C C 178.392 . . 132 13 16 LEU CA C 56.82 . . 133 13 16 LEU CB C 41.558 . . 134 13 16 LEU CG C 27.567 . . 135 13 16 LEU CD1 C 23.743 . . 136 13 16 LEU CD2 C 24.399 . . 137 13 16 LEU N N 121.248 . . 138 14 17 THR H H 8.398 . . 139 14 17 THR HA H 3.907 . . 140 14 17 THR HB H 4.381 . . 141 14 17 THR HG2 H 1.302 . . 142 14 17 THR C C 176.563 . . 143 14 17 THR CA C 67.231 . . 144 14 17 THR CB C 68.598 . . 145 14 17 THR CG2 C 22.229 . . 146 14 17 THR N N 117.894 . . 147 15 18 GLU H H 7.849 . . 148 15 18 GLU HA H 4.04 . . 149 15 18 GLU HB2 H 2.142 . . 150 15 18 GLU HB3 H 2.19 . . 151 15 18 GLU HG2 H 2.395 . . 152 15 18 GLU HG3 H 2.284 . . 153 15 18 GLU C C 177.923 . . 154 15 18 GLU CA C 59.78 . . 155 15 18 GLU CB C 29.555 . . 156 15 18 GLU N N 122.006 . . 157 16 19 VAL H H 7.822 . . 158 16 19 VAL HA H 3.861 . . 159 16 19 VAL HB H 2.354 . . 160 16 19 VAL HG1 H 1.004 . . 161 16 19 VAL HG2 H 1.129 . . 162 16 19 VAL C C 177.665 . . 163 16 19 VAL CA C 65.993 . . 164 16 19 VAL CB C 31.539 . . 165 16 19 VAL CG2 C 23.198 . . 166 16 19 VAL N N 118.823 . . 167 17 20 LYS H H 8.098 . . 168 17 20 LYS HA H 3.794 . . 169 17 20 LYS HB3 H 1.729 . . 170 17 20 LYS C C 177.905 . . 171 17 20 LYS CA C 60.715 . . 172 17 20 LYS CB C 32.562 . . 173 17 20 LYS N N 118.41 . . 174 18 21 LYS H H 7.816 . . 175 18 21 LYS HA H 4.124 . . 176 18 21 LYS HB3 H 2.025 . . 177 18 21 LYS HG2 H 1.703 . . 178 18 21 LYS HG3 H 1.361 . . 179 18 21 LYS HD2 H 1.479 . . 180 18 21 LYS HD3 H 1.602 . . 181 18 21 LYS HE2 H 2.589 . . 182 18 21 LYS HE3 H 2.39 . . 183 18 21 LYS C C 179.363 . . 184 18 21 LYS CA C 60.316 . . 185 18 21 LYS CB C 32.197 . . 186 18 21 LYS CD C 28.591 . . 187 18 21 LYS CE C 41.679 . . 188 18 21 LYS N N 120.189 . . 189 19 22 ASP H H 8.369 . . 190 19 22 ASP HA H 4.387 . . 191 19 22 ASP HB2 H 2.569 . . 192 19 22 ASP HB3 H 2.866 . . 193 19 22 ASP C C 178.296 . . 194 19 22 ASP CA C 57.032 . . 195 19 22 ASP CB C 40.182 . . 196 19 22 ASP N N 120.844 . . 197 20 23 ALA H H 8.722 . . 198 20 23 ALA HA H 3.927 . . 199 20 23 ALA HB H 1.321 . . 200 20 23 ALA C C 179.292 . . 201 20 23 ALA CA C 55.735 . . 202 20 23 ALA CB C 18.5 . . 203 20 23 ALA N N 123.537 . . 204 21 24 LEU H H 7.658 . . 205 21 24 LEU HA H 3.808 . . 206 21 24 LEU HB2 H 1.44 . . 207 21 24 LEU HB3 H 1.992 . . 208 21 24 LEU HG H 1.861 . . 209 21 24 LEU HD1 H 0.773 . . 210 21 24 LEU HD2 H 0.691 . . 211 21 24 LEU C C 177.999 . . 212 21 24 LEU CA C 58.151 . . 213 21 24 LEU CB C 41.836 . . 214 21 24 LEU CG C 24.955 . . 215 21 24 LEU CD1 C 25.951 . . 216 21 24 LEU CD2 C 23.328 . . 217 21 24 LEU N N 115.336 . . 218 22 25 GLU H H 7.7 . . 219 22 25 GLU HA H 4.073 . . 220 22 25 GLU HB2 H 2.181 . . 221 22 25 GLU HB3 H 2.194 . . 222 22 25 GLU HG2 H 2.3 . . 223 22 25 GLU HG3 H 2.429 . . 224 22 25 GLU C C 180.277 . . 225 22 25 GLU CA C 58.734 . . 226 22 25 GLU CB C 29.046 . . 227 22 25 GLU N N 116.924 . . 228 23 26 ASN H H 8.8 . . 229 23 26 ASN HA H 4.403 . . 230 23 26 ASN HB2 H 2.765 . . 231 23 26 ASN HB3 H 2.966 . . 232 23 26 ASN HD21 H 6.874 . . 233 23 26 ASN HD22 H 8.387 . . 234 23 26 ASN C C 178.557 . . 235 23 26 ASN CA C 55.246 . . 236 23 26 ASN CB C 37.343 . . 237 23 26 ASN N N 120.227 . . 238 23 26 ASN ND2 N 110.539 . . 239 24 27 LEU H H 7.694 . . 240 24 27 LEU HA H 4.566 . . 241 24 27 LEU HB3 H 1.771 . . 242 24 27 LEU HG H 1.736 . . 243 24 27 LEU HD1 H 0.782 . . 244 24 27 LEU HD2 H 0.73 . . 245 24 27 LEU C C 176.218 . . 246 24 27 LEU CA C 54.062 . . 247 24 27 LEU CB C 43.009 . . 248 24 27 LEU CD1 C 22.963 . . 249 24 27 LEU CD2 C 27.235 . . 250 24 27 LEU N N 117.348 . . 251 25 28 ARG H H 7.562 . . 252 25 28 ARG HA H 3.664 . . 253 25 28 ARG HB3 H 1.886 . . 254 25 28 ARG C C 177.676 . . 255 25 28 ARG CA C 61.634 . . 256 25 28 ARG CB C 31.6 . . 257 25 28 ARG N N 123.546 . . 258 26 29 VAL H H 8.486 . . 259 26 29 VAL HA H 3.55 . . 260 26 29 VAL HB H 2.07 . . 261 26 29 VAL HG1 H 0.955 . . 262 26 29 VAL HG2 H 1.053 . . 263 26 29 VAL C C 178.323 . . 264 26 29 VAL CA C 67.311 . . 265 26 29 VAL CB C 31.378 . . 266 26 29 VAL CG1 C 21.104 . . 267 26 29 VAL CG2 C 22.929 . . 268 26 29 VAL N N 118.908 . . 269 27 30 TYR H H 7.901 . . 270 27 30 TYR HA H 4.21 . . 271 27 30 TYR HB2 H 3.206 . . 272 27 30 TYR HB3 H 2.897 . . 273 27 30 TYR HD1 H 7.011 . . 274 27 30 TYR HD2 H 7.011 . . 275 27 30 TYR HE1 H 6.712 . . 276 27 30 TYR HE2 H 6.712 . . 277 27 30 TYR C C 178.088 . . 278 27 30 TYR CA C 61.008 . . 279 27 30 TYR CB C 38.903 . . 280 27 30 TYR N N 120.691 . . 281 28 31 LEU H H 9.305 . . 282 28 31 LEU HA H 3.786 . . 283 28 31 LEU HB2 H 2.002 . . 284 28 31 LEU HB3 H 1.203 . . 285 28 31 LEU HG H 2.082 . . 286 28 31 LEU HD1 H 1.001 . . 287 28 31 LEU HD2 H 0.814 . . 288 28 31 LEU C C 180.296 . . 289 28 31 LEU CA C 57.794 . . 290 28 31 LEU CB C 41.931 . . 291 28 31 LEU CG C 28.371 . . 292 28 31 LEU CD2 C 24.028 . . 293 28 31 LEU N N 116.345 . . 294 29 32 CYS H H 8.69 . . 295 29 32 CYS HA H 4.137 . . 296 29 32 CYS HB2 H 3.216 . . 297 29 32 CYS HB3 H 2.907 . . 298 29 32 CYS C C 174.849 . . 299 29 32 CYS CA C 63.538 . . 300 29 32 CYS CB C 26.657 . . 301 29 32 CYS N N 116.052 . . 302 30 33 GLU H H 7.151 . . 303 30 33 GLU HA H 4.18 . . 304 30 33 GLU HB2 H 2.116 . . 305 30 33 GLU HB3 H 2.054 . . 306 30 33 GLU HG2 H 2.195 . . 307 30 33 GLU HG3 H 2.388 . . 308 30 33 GLU C C 176.845 . . 309 30 33 GLU CA C 56.9 . . 310 30 33 GLU CB C 30.24 . . 311 30 33 GLU CG C 36.223 . . 312 30 33 GLU N N 115.208 . . 313 31 34 LYS H H 7.084 . . 314 31 34 LYS HA H 4.474 . . 315 31 34 LYS HB3 H 1.746 . . 316 31 34 LYS HG3 H 1.578 . . 317 31 34 LYS HD2 H 1.532 . . 318 31 34 LYS C C 177.525 . . 319 31 34 LYS CA C 55.387 . . 320 31 34 LYS CB C 36.1 . . 321 31 34 LYS N N 114.171 . . 322 32 35 ILE H H 8.257 . . 323 32 35 ILE HA H 4.048 . . 324 32 35 ILE HB H 1.778 . . 325 32 35 ILE HG12 H 1.194 . . 326 32 35 ILE HG13 H 1.396 . . 327 32 35 ILE HG2 H 0.64 . . 328 32 35 ILE HD1 H 0.59 . . 329 32 35 ILE C C 175.175 . . 330 32 35 ILE CA C 60.879 . . 331 32 35 ILE CB C 38.296 . . 332 32 35 ILE CG1 C 28.027 . . 333 32 35 ILE CG2 C 16.519 . . 334 32 35 ILE CD1 C 12.826 . . 335 32 35 ILE N N 118.345 . . 336 33 36 ILE H H 8.955 . . 337 33 36 ILE HA H 4.177 . . 338 33 36 ILE HB H 1.907 . . 339 33 36 ILE HG12 H 1.459 . . 340 33 36 ILE HG13 H 1.274 . . 341 33 36 ILE HG2 H 0.822 . . 342 33 36 ILE HD1 H 0.773 . . 343 33 36 ILE C C 176.541 . . 344 33 36 ILE CA C 59.157 . . 345 33 36 ILE CB C 35.966 . . 346 33 36 ILE CG1 C 26.355 . . 347 33 36 ILE CG2 C 18.055 . . 348 33 36 ILE CD1 C 11.137 . . 349 33 36 ILE N N 130.672 . . 350 34 37 ALA H H 8.57 . . 351 34 37 ALA HA H 3.539 . . 352 34 37 ALA HB H 1.199 . . 353 34 37 ALA C C 176.962 . . 354 34 37 ALA CA C 56.573 . . 355 34 37 ALA CB C 18.845 . . 356 34 37 ALA N N 128.36 . . 357 35 38 GLU H H 9.851 . . 358 35 38 GLU HA H 4.154 . . 359 35 38 GLU HB2 H 1.588 . . 360 35 38 GLU HB3 H 1.68 . . 361 35 38 GLU HG2 H 2.167 . . 362 35 38 GLU HG3 H 1.973 . . 363 35 38 GLU C C 178.973 . . 364 35 38 GLU CA C 58.131 . . 365 35 38 GLU CB C 28.091 . . 366 35 38 GLU N N 112.126 . . 367 36 39 ARG H H 7.301 . . 368 36 39 ARG HA H 3.86 . . 369 36 39 ARG HB2 H 1.332 . . 370 36 39 ARG HB3 H 1.464 . . 371 36 39 ARG HG2 H 1.61 . . 372 36 39 ARG HG3 H 1.416 . . 373 36 39 ARG HD3 H 3.116 . . 374 36 39 ARG C C 176.259 . . 375 36 39 ARG CA C 56.565 . . 376 36 39 ARG CB C 28.768 . . 377 36 39 ARG CG C 27.235 . . 378 36 39 ARG CD C 42.246 . . 379 36 39 ARG N N 117.627 . . 380 37 40 HIS H H 7.424 . . 381 37 40 HIS HA H 4.663 . . 382 37 40 HIS HB2 H 3.266 . . 383 37 40 HIS HB3 H 2.642 . . 384 37 40 HIS C C 175.524 . . 385 37 40 HIS CA C 55.822 . . 386 37 40 HIS CB C 31.705 . . 387 37 40 HIS N N 114.988 . . 388 38 41 PHE H H 6.98 . . 389 38 41 PHE HA H 4.28 . . 390 38 41 PHE HB3 H 3.278 . . 391 38 41 PHE HD1 H 7.088 . . 392 38 41 PHE HD2 H 7.088 . . 393 38 41 PHE C C 177.265 . . 394 38 41 PHE CA C 57.755 . . 395 38 41 PHE CB C 37.425 . . 396 38 41 PHE N N 117.816 . . 397 39 42 ASP H H 8.93 . . 398 39 42 ASP HA H 4.316 . . 399 39 42 ASP HB2 H 2.699 . . 400 39 42 ASP HB3 H 2.723 . . 401 39 42 ASP C C 179.402 . . 402 39 42 ASP CA C 58.63 . . 403 39 42 ASP CB C 39.632 . . 404 39 42 ASP N N 119.008 . . 405 40 43 HIS H H 9.008 . . 406 40 43 HIS HA H 4.314 . . 407 40 43 HIS HB2 H 3.059 . . 408 40 43 HIS HB3 H 3.199 . . 409 40 43 HIS C C 177.196 . . 410 40 43 HIS CA C 60.176 . . 411 40 43 HIS CB C 31.864 . . 412 40 43 HIS N N 121.685 . . 413 41 44 LEU H H 7.936 . . 414 41 44 LEU HA H 3.84 . . 415 41 44 LEU HB2 H 1.973 . . 416 41 44 LEU HB3 H 1.249 . . 417 41 44 LEU HD1 H 1.058 . . 418 41 44 LEU HD2 H 0.821 . . 419 41 44 LEU C C 180.081 . . 420 41 44 LEU CA C 58.349 . . 421 41 44 LEU CB C 41.052 . . 422 41 44 LEU CD2 C 23.903 . . 423 41 44 LEU N N 115.354 . . 424 42 45 ARG H H 8.854 . . 425 42 45 ARG HA H 4.658 . . 426 42 45 ARG HB3 H 1.694 . . 427 42 45 ARG HD2 H 2.92 . . 428 42 45 ARG HD3 H 3.023 . . 429 42 45 ARG C C 181.01 . . 430 42 45 ARG CA C 58.71 . . 431 42 45 ARG CB C 30.052 . . 432 42 45 ARG CD C 43.162 . . 433 42 45 ARG N N 120.026 . . 434 43 46 ALA H H 8.266 . . 435 43 46 ALA HA H 4.082 . . 436 43 46 ALA HB H 1.501 . . 437 43 46 ALA C C 180.081 . . 438 43 46 ALA CA C 55.427 . . 439 43 46 ALA CB C 17.826 . . 440 43 46 ALA N N 125.789 . . 441 44 47 LYS H H 7.379 . . 442 44 47 LYS HA H 4.25 . . 443 44 47 LYS HB2 H 2.043 . . 444 44 47 LYS HB3 H 1.516 . . 445 44 47 LYS HD3 H 1.115 . . 446 44 47 LYS C C 174.762 . . 447 44 47 LYS CA C 53.978 . . 448 44 47 LYS CB C 31.502 . . 449 44 47 LYS N N 113.275 . . 450 45 48 LYS H H 7.811 . . 451 45 48 LYS HA H 3.807 . . 452 45 48 LYS HB2 H 2.012 . . 453 45 48 LYS HB3 H 1.988 . . 454 45 48 LYS HG2 H 1.21 . . 455 45 48 LYS HG3 H 1.324 . . 456 45 48 LYS HD3 H 1.738 . . 457 45 48 LYS HE3 H 3.31 . . 458 45 48 LYS C C 175.55 . . 459 45 48 LYS CA C 57.509 . . 460 45 48 LYS CB C 28.325 . . 461 45 48 LYS CG C 21.983 . . 462 45 48 LYS N N 112.725 . . 463 46 49 ILE H H 8.229 . . 464 46 49 ILE HA H 3.913 . . 465 46 49 ILE HB H 1.948 . . 466 46 49 ILE HG12 H 1.503 . . 467 46 49 ILE HG13 H 1.259 . . 468 46 49 ILE HG2 H 0.789 . . 469 46 49 ILE HD1 H 0.555 . . 470 46 49 ILE C C 175.562 . . 471 46 49 ILE CA C 60.37 . . 472 46 49 ILE CB C 36.66 . . 473 46 49 ILE CG1 C 28.017 . . 474 46 49 ILE CG2 C 17.713 . . 475 46 49 ILE CD1 C 9.174 . . 476 46 49 ILE N N 117.668 . . 477 47 50 LEU H H 6.502 . . 478 47 50 LEU HA H 4.804 . . 479 47 50 LEU HB2 H 1.031 . . 480 47 50 LEU HB3 H 1.275 . . 481 47 50 LEU HG H 1.299 . . 482 47 50 LEU HD1 H 0.585 . . 483 47 50 LEU HD2 H 0.577 . . 484 47 50 LEU C C 175.962 . . 485 47 50 LEU CA C 51.701 . . 486 47 50 LEU CB C 45.824 . . 487 47 50 LEU CD1 C 27.276 . . 488 47 50 LEU CD2 C 23.128 . . 489 47 50 LEU N N 113.544 . . 490 48 51 SER H H 9.269 . . 491 48 51 SER HA H 4.627 . . 492 48 51 SER HB3 H 3.875 . . 493 48 51 SER C C 175.598 . . 494 48 51 SER CA C 55.956 . . 495 48 51 SER CB C 66.463 . . 496 48 51 SER N N 117.969 . . 497 49 52 ARG H H 7.738 . . 498 49 52 ARG HA H 3.856 . . 499 49 52 ARG HB3 H 1.749 . . 500 49 52 ARG HG2 H 1.584 . . 501 49 52 ARG HG3 H 1.477 . . 502 49 52 ARG HD2 H 3.175 . . 503 49 52 ARG HD3 H 3.135 . . 504 49 52 ARG C C 179.179 . . 505 49 52 ARG CA C 59.682 . . 506 49 52 ARG CB C 29.679 . . 507 49 52 ARG CG C 27.15 . . 508 49 52 ARG CD C 43.496 . . 509 50 53 GLU H H 8.626 . . 510 50 53 GLU HA H 3.916 . . 511 50 53 GLU HB3 H 1.946 . . 512 50 53 GLU HG2 H 2.409 . . 513 50 53 GLU HG3 H 2.24 . . 514 50 53 GLU C C 178.515 . . 515 50 53 GLU CA C 60.133 . . 516 50 53 GLU CB C 28.571 . . 517 50 53 GLU CG C 37.104 . . 518 50 53 GLU N N 121.221 . . 519 51 54 ASP H H 7.703 . . 520 51 54 ASP HA H 4.168 . . 521 51 54 ASP HB2 H 1.803 . . 522 51 54 ASP HB3 H 2.476 . . 523 51 54 ASP C C 178.734 . . 524 51 54 ASP CA C 57.004 . . 525 51 54 ASP CB C 41.094 . . 526 51 54 ASP N N 121.378 . . 527 52 55 THR H H 7.642 . . 528 52 55 THR HA H 3.279 . . 529 52 55 THR HB H 3.115 . . 530 52 55 THR HG2 H 0.41 . . 531 52 55 THR C C 176.621 . . 532 52 55 THR CA C 65.573 . . 533 52 55 THR CB C 67.584 . . 534 52 55 THR CG2 C 22.365 . . 535 52 55 THR N N 108.368 . . 536 53 56 ARG H H 7.555 . . 537 53 56 ARG HA H 3.993 . . 538 53 56 ARG HB3 H 1.974 . . 539 53 56 ARG HG2 H 1.688 . . 540 53 56 ARG HG3 H 1.631 . . 541 53 56 ARG HD2 H 2.978 . . 542 53 56 ARG HD3 H 3.205 . . 543 53 56 ARG C C 178.848 . . 544 53 56 ARG CA C 59.52 . . 545 53 56 ARG CB C 29.482 . . 546 53 56 ARG CG C 25.053 . . 547 53 56 ARG CD C 43.303 . . 548 53 56 ARG N N 124.938 . . 549 54 57 GLU H H 7.798 . . 550 54 57 GLU HA H 4.095 . . 551 54 57 GLU HG3 H 2.282 . . 552 54 57 GLU C C 180.074 . . 553 54 57 GLU CA C 59.304 . . 554 54 57 GLU CB C 29.742 . . 555 54 57 GLU CG C 36.198 . . 556 54 57 GLU N N 119.923 . . 557 55 58 ILE H H 8.172 . . 558 55 58 ILE HA H 3.548 . . 559 55 58 ILE HB H 2.127 . . 560 55 58 ILE HG12 H 1.909 . . 561 55 58 ILE HG13 H 1.207 . . 562 55 58 ILE HG2 H 0.809 . . 563 55 58 ILE HD1 H 0.831 . . 564 55 58 ILE C C 177.487 . . 565 55 58 ILE CA C 66.527 . . 566 55 58 ILE CB C 38.807 . . 567 55 58 ILE CG2 C 16.407 . . 568 55 58 ILE CD1 C 17.831 . . 569 55 58 ILE N N 118.802 . . 570 56 59 SER H H 8.224 . . 571 56 59 SER HA H 4.155 . . 572 56 59 SER HB3 H 3.941 . . 573 56 59 SER C C 174.234 . . 574 56 59 SER CA C 62.103 . . 575 56 59 SER CB C 63.706 . . 576 56 59 SER N N 111.984 . . 577 57 60 CYS H H 7.473 . . 578 57 60 CYS HA H 4.506 . . 579 57 60 CYS HB2 H 3.087 . . 580 57 60 CYS HB3 H 3.021 . . 581 57 60 CYS C C 175.849 . . 582 57 60 CYS CA C 60.151 . . 583 57 60 CYS CB C 27.405 . . 584 57 60 CYS N N 115.296 . . 585 58 61 ARG H H 7.598 . . 586 58 61 ARG HA H 4.624 . . 587 58 61 ARG HB2 H 2.031 . . 588 58 61 ARG HB3 H 1.864 . . 589 58 61 ARG HG2 H 1.614 . . 590 58 61 ARG HG3 H 1.437 . . 591 58 61 ARG HD2 H 3.267 . . 592 58 61 ARG HD3 H 3.116 . . 593 58 61 ARG C C 179.03 . . 594 58 61 ARG CA C 56.366 . . 595 58 61 ARG CB C 29.765 . . 596 58 61 ARG CG C 26.838 . . 597 58 61 ARG N N 121.168 . . 598 59 62 THR H H 8.305 . . 599 59 62 THR HA H 4.16 . . 600 59 62 THR HB H 4.603 . . 601 59 62 THR HG2 H 1.32 . . 602 59 62 THR C C 174.466 . . 603 59 62 THR CA C 64.152 . . 604 59 62 THR CB C 69.187 . . 605 59 62 THR CG2 C 22.051 . . 606 59 62 THR N N 109.542 . . 607 60 63 SER H H 7.397 . . 608 60 63 SER HA H 4.312 . . 609 60 63 SER HB2 H 3.178 . . 610 60 63 SER HB3 H 3.967 . . 611 60 63 SER C C 174.916 . . 612 60 63 SER CA C 56.044 . . 613 60 63 SER CB C 66.75 . . 614 60 63 SER N N 113.843 . . 615 62 65 ARG HA H 4.536 . . 616 62 65 ARG HB3 H 1.777 . . 617 62 65 ARG HG2 H 1.235 . . 618 62 65 ARG HG3 H 1.622 . . 619 62 65 ARG HD3 H 3.18 . . 620 62 65 ARG C C 179.747 . . 621 62 65 ARG CA C 59.259 . . 622 62 65 ARG CB C 30.685 . . 623 62 65 ARG CD C 42.343 . . 624 63 66 LYS H H 7.721 . . 625 63 66 LYS HA H 4.249 . . 626 63 66 LYS HB3 H 1.681 . . 627 63 66 LYS HG3 H 1.081 . . 628 63 66 LYS HD3 H 1.508 . . 629 63 66 LYS HE2 H 2.98 . . 630 63 66 LYS HE3 H 2.875 . . 631 63 66 LYS C C 180.391 . . 632 63 66 LYS CA C 58.987 . . 633 63 66 LYS CB C 33.178 . . 634 63 66 LYS CG C 23.917 . . 635 63 66 LYS CD C 27.409 . . 636 63 66 LYS CE C 42.132 . . 637 63 66 LYS N N 120.009 . . 638 64 67 ARG H H 8.603 . . 639 64 67 ARG HA H 4.127 . . 640 64 67 ARG HB2 H 1.463 . . 641 64 67 ARG HB3 H 1.841 . . 642 64 67 ARG HG2 H 0.869 . . 643 64 67 ARG HG3 H 1.152 . . 644 64 67 ARG C C 177.834 . . 645 64 67 ARG CA C 61.102 . . 646 64 67 ARG CB C 31.615 . . 647 64 67 ARG N N 122.091 . . 648 65 68 ALA H H 8.312 . . 649 65 68 ALA HA H 3.898 . . 650 65 68 ALA HB H 1.609 . . 651 65 68 ALA C C 178.955 . . 652 65 68 ALA CA C 55.717 . . 653 65 68 ALA CB C 18.642 . . 654 65 68 ALA N N 120.353 . . 655 66 69 GLY H H 8.327 . . 656 66 69 GLY HA2 H 3.85 . . 657 66 69 GLY HA3 H 3.58 . . 658 66 69 GLY C C 174.888 . . 659 66 69 GLY CA C 48.189 . . 660 66 69 GLY N N 105.186 . . 661 67 70 LYS H H 7.708 . . 662 67 70 LYS HA H 4.389 . . 663 67 70 LYS HB2 H 1.611 . . 664 67 70 LYS HB3 H 1.851 . . 665 67 70 LYS HG3 H 1.787 . . 666 67 70 LYS HE3 H 3.183 . . 667 67 70 LYS C C 177.756 . . 668 67 70 LYS CA C 56.131 . . 669 67 70 LYS CB C 31.18 . . 670 67 70 LYS N N 121.478 . . 671 68 71 LEU H H 8.082 . . 672 68 71 LEU HA H 4.216 . . 673 68 71 LEU HB2 H 1.538 . . 674 68 71 LEU HB3 H 1.893 . . 675 68 71 LEU HG H 1.039 . . 676 68 71 LEU HD1 H 1.164 . . 677 68 71 LEU HD2 H 0.859 . . 678 68 71 LEU C C 178.195 . . 679 68 71 LEU CA C 59.169 . . 680 68 71 LEU CB C 41.309 . . 681 68 71 LEU CG C 25.035 . . 682 68 71 LEU CD1 C 23.929 . . 683 68 71 LEU CD2 C 26.236 . . 684 68 71 LEU N N 119.456 . . 685 69 72 LEU H H 8.385 . . 686 69 72 LEU HA H 3.767 . . 687 69 72 LEU HB2 H 1.388 . . 688 69 72 LEU HB3 H 1.942 . . 689 69 72 LEU HG H 0.808 . . 690 69 72 LEU HD1 H 0.706 . . 691 69 72 LEU HD2 H 0.831 . . 692 69 72 LEU C C 178.188 . . 693 69 72 LEU CA C 58.973 . . 694 69 72 LEU CB C 40.442 . . 695 69 72 LEU CG C 26.488 . . 696 69 72 LEU CD1 C 22.74 . . 697 69 72 LEU CD2 C 23.313 . . 698 69 72 LEU N N 117.774 . . 699 70 73 ASP H H 7.889 . . 700 70 73 ASP HA H 4.267 . . 701 70 73 ASP HB2 H 2.903 . . 702 70 73 ASP HB3 H 2.484 . . 703 70 73 ASP C C 179.741 . . 704 70 73 ASP CA C 57.813 . . 705 70 73 ASP CB C 39.83 . . 706 70 73 ASP N N 119.111 . . 707 71 74 TYR H H 7.599 . . 708 71 74 TYR HA H 4.247 . . 709 71 74 TYR HB3 H 2.976 . . 710 71 74 TYR HD1 H 7.19 . . 711 71 74 TYR HD2 H 7.19 . . 712 71 74 TYR HE1 H 6.701 . . 713 71 74 TYR HE2 H 6.701 . . 714 71 74 TYR C C 180.242 . . 715 71 74 TYR CA C 62.152 . . 716 71 74 TYR CB C 38.807 . . 717 71 74 TYR N N 116.766 . . 718 72 75 LEU H H 8.314 . . 719 72 75 LEU HA H 3.933 . . 720 72 75 LEU HB2 H 1.043 . . 721 72 75 LEU HB3 H 2.111 . . 722 72 75 LEU HG H 1.005 . . 723 72 75 LEU HD1 H 0.626 . . 724 72 75 LEU HD2 H 0.794 . . 725 72 75 LEU C C 178.684 . . 726 72 75 LEU CA C 57.816 . . 727 72 75 LEU CB C 41.21 . . 728 72 75 LEU CG C 27.626 . . 729 72 75 LEU CD2 C 22.726 . . 730 72 75 LEU N N 118.899 . . 731 73 76 GLN H H 8.166 . . 732 73 76 GLN HA H 4.197 . . 733 73 76 GLN HB2 H 2.059 . . 734 73 76 GLN HB3 H 2.021 . . 735 73 76 GLN HG2 H 2.535 . . 736 73 76 GLN HG3 H 2.337 . . 737 73 76 GLN HE21 H 7.699 . . 738 73 76 GLN HE22 H 7.222 . . 739 73 76 GLN C C 176.98 . . 740 73 76 GLN CA C 57.971 . . 741 73 76 GLN CB C 29.558 . . 742 73 76 GLN CG C 35.176 . . 743 73 76 GLN N N 115.095 . . 744 73 76 GLN NE2 N 111.692 . . 745 74 77 GLU H H 7.134 . . 746 74 77 GLU HA H 4.326 . . 747 74 77 GLU HB2 H 2.316 . . 748 74 77 GLU HB3 H 1.997 . . 749 74 77 GLU HG2 H 2.293 . . 750 74 77 GLU HG3 H 2.462 . . 751 74 77 GLU C C 175.377 . . 752 74 77 GLU CA C 56.063 . . 753 74 77 GLU CB C 30.182 . . 754 74 77 GLU CG C 36.001 . . 755 74 77 GLU N N 115.071 . . 756 75 78 ASN H H 7.474 . . 757 75 78 ASN HA H 5.271 . . 758 75 78 ASN HB2 H 2.554 . . 759 75 78 ASN HB3 H 2.794 . . 760 75 78 ASN HD21 H 7.172 . . 761 75 78 ASN HD22 H 8.449 . . 762 75 78 ASN C C 174.339 . . 763 75 78 ASN CA C 50.53 . . 764 75 78 ASN CB C 42.154 . . 765 75 78 ASN N N 119.267 . . 766 75 78 ASN ND2 N 116.795 . . 767 76 79 PRO HA H 4.475 . . 768 76 79 PRO HB2 H 2.484 . . 769 76 79 PRO HB3 H 1.997 . . 770 76 79 PRO HG2 H 1.883 . . 771 76 79 PRO HG3 H 2.019 . . 772 76 79 PRO HD2 H 3.946 . . 773 76 79 PRO HD3 H 3.715 . . 774 76 79 PRO C C 177.689 . . 775 76 79 PRO CA C 65.085 . . 776 76 79 PRO CB C 32.564 . . 777 76 79 PRO CG C 27.839 . . 778 76 79 PRO CD C 51.345 . . 779 77 80 LYS H H 8.6 . . 780 77 80 LYS HA H 4.881 . . 781 77 80 LYS HB2 H 1.563 . . 782 77 80 LYS HB3 H 2.016 . . 783 77 80 LYS HE3 H 2.965 . . 784 77 80 LYS C C 178.827 . . 785 77 80 LYS CA C 54.926 . . 786 77 80 LYS CB C 32.048 . . 787 77 80 LYS CE C 42.189 . . 788 77 80 LYS N N 115.587 . . 789 78 81 GLY H H 8.871 . . 790 78 81 GLY HA2 H 3.439 . . 791 78 81 GLY HA3 H 4.489 . . 792 78 81 GLY C C 174.203 . . 793 78 81 GLY CA C 49.264 . . 794 78 81 GLY N N 114.01 . . 795 79 82 LEU H H 9.22 . . 796 79 82 LEU HA H 3.86 . . 797 79 82 LEU HB2 H 1.778 . . 798 79 82 LEU HB3 H 1.642 . . 799 79 82 LEU HG H 1.494 . . 800 79 82 LEU HD1 H 0.774 . . 801 79 82 LEU HD2 H 0.863 . . 802 79 82 LEU C C 178.263 . . 803 79 82 LEU CA C 59.956 . . 804 79 82 LEU CB C 41.536 . . 805 79 82 LEU CG C 27.583 . . 806 79 82 LEU CD1 C 26.05 . . 807 79 82 LEU CD2 C 25.235 . . 808 79 82 LEU N N 125 . . 809 80 83 ASP H H 8.71 . . 810 80 83 ASP HA H 4.144 . . 811 80 83 ASP HB2 H 2.43 . . 812 80 83 ASP HB3 H 2.682 . . 813 80 83 ASP C C 179.289 . . 814 80 83 ASP CA C 57.305 . . 815 80 83 ASP CB C 40.674 . . 816 80 83 ASP N N 116.432 . . 817 81 84 THR H H 8.139 . . 818 81 84 THR HA H 4.05 . . 819 81 84 THR HB H 4.015 . . 820 81 84 THR HG2 H 1.301 . . 821 81 84 THR C C 176.12 . . 822 81 84 THR CA C 66.563 . . 823 81 84 THR CB C 67.855 . . 824 81 84 THR CG2 C 23.029 . . 825 81 84 THR N N 115.277 . . 826 82 85 LEU H H 8.355 . . 827 82 85 LEU HA H 4.026 . . 828 82 85 LEU HB2 H 1.732 . . 829 82 85 LEU HB3 H 1.49 . . 830 82 85 LEU HG H 1.358 . . 831 82 85 LEU HD1 H 0.592 . . 832 82 85 LEU HD2 H 0.424 . . 833 82 85 LEU C C 178.122 . . 834 82 85 LEU CA C 58.578 . . 835 82 85 LEU CB C 40.771 . . 836 82 85 LEU CG C 26.919 . . 837 82 85 LEU CD1 C 24.764 . . 838 82 85 LEU CD2 C 21.332 . . 839 82 85 LEU N N 124.783 . . 840 83 86 VAL H H 8.362 . . 841 83 86 VAL HA H 3.302 . . 842 83 86 VAL HB H 2.204 . . 843 83 86 VAL HG1 H 0.997 . . 844 83 86 VAL HG2 H 0.885 . . 845 83 86 VAL C C 177.158 . . 846 83 86 VAL CA C 67.995 . . 847 83 86 VAL CB C 31.291 . . 848 83 86 VAL CG1 C 24.033 . . 849 83 86 VAL CG2 C 21.646 . . 850 83 86 VAL N N 118.598 . . 851 84 87 GLU H H 7.556 . . 852 84 87 GLU HA H 3.921 . . 853 84 87 GLU HB2 H 2.327 . . 854 84 87 GLU HB3 H 2.157 . . 855 84 87 GLU HG2 H 2.469 . . 856 84 87 GLU HG3 H 2.301 . . 857 84 87 GLU C C 178.682 . . 858 84 87 GLU CA C 59.309 . . 859 84 87 GLU CB C 30.44 . . 860 84 87 GLU CG C 36.362 . . 861 84 87 GLU N N 118.009 . . 862 85 88 SER H H 7.963 . . 863 85 88 SER HA H 4.453 . . 864 85 88 SER HB2 H 3.746 . . 865 85 88 SER HB3 H 3.694 . . 866 85 88 SER C C 177.936 . . 867 85 88 SER CA C 61.77 . . 868 85 88 SER CB C 62.76 . . 869 85 88 SER N N 114.627 . . 870 86 89 ILE H H 8.692 . . 871 86 89 ILE HA H 3.73 . . 872 86 89 ILE HB H 1.765 . . 873 86 89 ILE HG12 H 0.782 . . 874 86 89 ILE HG13 H 1.65 . . 875 86 89 ILE HG2 H 0.796 . . 876 86 89 ILE HD1 H 0.455 . . 877 86 89 ILE C C 179.599 . . 878 86 89 ILE CA C 65.443 . . 879 86 89 ILE CB C 38.402 . . 880 86 89 ILE CG1 C 28.983 . . 881 86 89 ILE CG2 C 18.922 . . 882 86 89 ILE CD1 C 14.264 . . 883 86 89 ILE N N 119.832 . . 884 87 90 ARG H H 8.533 . . 885 87 90 ARG HA H 3.892 . . 886 87 90 ARG HB2 H 1.995 . . 887 87 90 ARG HB3 H 1.898 . . 888 87 90 ARG HG3 H 1.6 . . 889 87 90 ARG HD2 H 3.227 . . 890 87 90 ARG HD3 H 3.261 . . 891 87 90 ARG C C 178.992 . . 892 87 90 ARG CA C 59.825 . . 893 87 90 ARG CB C 30.087 . . 894 87 90 ARG CD C 43.387 . . 895 87 90 ARG N N 120.682 . . 896 88 91 ARG H H 7.768 . . 897 88 91 ARG HA H 4.024 . . 898 88 91 ARG HB2 H 2.066 . . 899 88 91 ARG HB3 H 1.887 . . 900 88 91 ARG HG2 H 1.719 . . 901 88 91 ARG HG3 H 1.679 . . 902 88 91 ARG C C 177.704 . . 903 88 91 ARG CA C 58.615 . . 904 88 91 ARG CB C 30.17 . . 905 88 91 ARG CG C 27.129 . . 906 88 91 ARG N N 118.338 . . 907 89 92 GLU H H 7.986 . . 908 89 92 GLU HA H 4.091 . . 909 89 92 GLU HB2 H 2.278 . . 910 89 92 GLU HB3 H 1.984 . . 911 89 92 GLU HG2 H 2.22 . . 912 89 92 GLU HG3 H 2.364 . . 913 89 92 GLU C C 177.974 . . 914 89 92 GLU CA C 58.109 . . 915 89 92 GLU CB C 30.424 . . 916 89 92 GLU CG C 36.749 . . 917 89 92 GLU N N 119.681 . . 918 90 93 LYS H H 7.644 . . 919 90 93 LYS HA H 4.003 . . 920 90 93 LYS HB2 H 2.218 . . 921 90 93 LYS HB3 H 1.96 . . 922 90 93 LYS HG3 H 1.485 . . 923 90 93 LYS HE3 H 3.02 . . 924 90 93 LYS C C 178.058 . . 925 90 93 LYS CA C 60.53 . . 926 90 93 LYS CB C 31.637 . . 927 90 93 LYS CE C 42.303 . . 928 90 93 LYS N N 112.237 . . 929 91 94 THR H H 8.423 . . 930 91 94 THR HA H 4.433 . . 931 91 94 THR HB H 4.401 . . 932 91 94 THR HG2 H 1.307 . . 933 91 94 THR C C 176.286 . . 934 91 94 THR CA C 63.527 . . 935 91 94 THR CB C 69.848 . . 936 91 94 THR CG2 C 22.071 . . 937 91 94 THR N N 111.955 . . 938 92 95 GLN H H 9.314 . . 939 92 95 GLN HA H 4.671 . . 940 92 95 GLN HB2 H 1.69 . . 941 92 95 GLN HB3 H 1.863 . . 942 92 95 GLN HG2 H 2.4 . . 943 92 95 GLN HG3 H 2.856 . . 944 92 95 GLN HE21 H 6.807 . . 945 92 95 GLN HE22 H 7.952 . . 946 92 95 GLN C C 175.97 . . 947 92 95 GLN CA C 53.999 . . 948 92 95 GLN CB C 29.435 . . 949 92 95 GLN N N 121.839 . . 950 92 95 GLN NE2 N 114.79 . . 951 93 96 ASN H H 8.254 . . 952 93 96 ASN HA H 4.09 . . 953 93 96 ASN HB2 H 2.806 . . 954 93 96 ASN HB3 H 2.887 . . 955 93 96 ASN HD21 H 6.81 . . 956 93 96 ASN HD22 H 7.548 . . 957 93 96 ASN C C 177.872 . . 958 93 96 ASN CA C 56.958 . . 959 93 96 ASN CB C 37.74 . . 960 93 96 ASN N N 119.426 . . 961 93 96 ASN ND2 N 111.651 . . 962 94 97 PHE H H 8.028 . . 963 94 97 PHE HA H 4.51 . . 964 94 97 PHE HB2 H 2.948 . . 965 94 97 PHE HB3 H 3.26 . . 966 94 97 PHE HD1 H 7.344 . . 967 94 97 PHE HD2 H 7.344 . . 968 94 97 PHE HE1 H 7.462 . . 969 94 97 PHE HE2 H 7.462 . . 970 94 97 PHE C C 176.905 . . 971 94 97 PHE CA C 58.994 . . 972 94 97 PHE CB C 37.374 . . 973 94 97 PHE N N 117.273 . . 974 95 98 LEU H H 7.33 . . 975 95 98 LEU HA H 3.981 . . 976 95 98 LEU HB2 H 0.892 . . 977 95 98 LEU HB3 H 1.146 . . 978 95 98 LEU HG H 0.942 . . 979 95 98 LEU HD1 H 0.605 . . 980 95 98 LEU HD2 H 0.756 . . 981 95 98 LEU C C 178.789 . . 982 95 98 LEU CA C 57.053 . . 983 95 98 LEU CB C 42.994 . . 984 95 98 LEU CD1 C 24.926 . . 985 95 98 LEU CD2 C 26.131 . . 986 95 98 LEU N N 121.525 . . 987 96 99 ILE H H 7.471 . . 988 96 99 ILE HA H 3.355 . . 989 96 99 ILE HB H 2.01 . . 990 96 99 ILE HG12 H 1.66 . . 991 96 99 ILE HG13 H 1.79 . . 992 96 99 ILE HG2 H 0.847 . . 993 96 99 ILE HD1 H 0.866 . . 994 96 99 ILE C C 178.615 . . 995 96 99 ILE CA C 65.955 . . 996 96 99 ILE CB C 37.303 . . 997 96 99 ILE CG1 C 29.143 . . 998 96 99 ILE CG2 C 17.17 . . 999 96 99 ILE CD1 C 13.703 . . 1000 96 99 ILE N N 117.37 . . 1001 97 100 GLN H H 7.73 . . 1002 97 100 GLN HA H 3.955 . . 1003 97 100 GLN HB2 H 2.097 . . 1004 97 100 GLN HB3 H 2.169 . . 1005 97 100 GLN HG3 H 2.389 . . 1006 97 100 GLN HE21 H 6.784 . . 1007 97 100 GLN HE22 H 7.652 . . 1008 97 100 GLN C C 176.941 . . 1009 97 100 GLN CA C 58.753 . . 1010 97 100 GLN CB C 28.426 . . 1011 97 100 GLN CG C 33.524 . . 1012 97 100 GLN N N 120.196 . . 1013 97 100 GLN NE2 N 111.21 . . 1014 98 101 LYS H H 7.206 . . 1015 98 101 LYS HA H 4.097 . . 1016 98 101 LYS HB2 H 1.795 . . 1017 98 101 LYS HB3 H 1.976 . . 1018 98 101 LYS HG2 H 1.453 . . 1019 98 101 LYS HG3 H 1.348 . . 1020 98 101 LYS C C 179.491 . . 1021 98 101 LYS CA C 58.627 . . 1022 98 101 LYS CB C 32.196 . . 1023 98 101 LYS CG C 24.067 . . 1024 98 101 LYS N N 116.981 . . 1025 99 102 ILE H H 7.995 . . 1026 99 102 ILE HA H 3.564 . . 1027 99 102 ILE HB H 1.77 . . 1028 99 102 ILE HG12 H 0.694 . . 1029 99 102 ILE HG13 H 1.924 . . 1030 99 102 ILE HG2 H 0.743 . . 1031 99 102 ILE HD1 H 0.608 . . 1032 99 102 ILE C C 177.196 . . 1033 99 102 ILE CA C 65.66 . . 1034 99 102 ILE CB C 38.906 . . 1035 99 102 ILE CG1 C 29.824 . . 1036 99 102 ILE CG2 C 17.733 . . 1037 99 102 ILE CD1 C 13.548 . . 1038 99 102 ILE N N 118.088 . . 1039 100 103 THR H H 8.605 . . 1040 100 103 THR HA H 3.747 . . 1041 100 103 THR HB H 4.273 . . 1042 100 103 THR HG2 H 1.243 . . 1043 100 103 THR C C 177.056 . . 1044 100 103 THR CA C 66.926 . . 1045 100 103 THR CB C 68.711 . . 1046 100 103 THR CG2 C 21.216 . . 1047 100 103 THR N N 114.413 . . 1048 101 104 ASP H H 8.638 . . 1049 101 104 ASP HA H 4.422 . . 1050 101 104 ASP HB2 H 2.871 . . 1051 101 104 ASP HB3 H 2.574 . . 1052 101 104 ASP C C 178.809 . . 1053 101 104 ASP CA C 57.483 . . 1054 101 104 ASP CB C 40.121 . . 1055 101 104 ASP N N 121.721 . . 1056 102 105 GLU H H 7.579 . . 1057 102 105 GLU HA H 4.098 . . 1058 102 105 GLU HB2 H 2.034 . . 1059 102 105 GLU HB3 H 2.249 . . 1060 102 105 GLU HG2 H 2.307 . . 1061 102 105 GLU HG3 H 2.455 . . 1062 102 105 GLU C C 178.12 . . 1063 102 105 GLU CA C 59.302 . . 1064 102 105 GLU CB C 30.207 . . 1065 102 105 GLU CG C 36.087 . . 1066 102 105 GLU N N 122.949 . . 1067 103 106 VAL H H 8.03 . . 1068 103 106 VAL HA H 3.288 . . 1069 103 106 VAL HB H 2.15 . . 1070 103 106 VAL HG1 H 0.947 . . 1071 103 106 VAL HG2 H 0.837 . . 1072 103 106 VAL C C 177.489 . . 1073 103 106 VAL CA C 67.377 . . 1074 103 106 VAL CB C 31.909 . . 1075 103 106 VAL CG1 C 24.357 . . 1076 103 106 VAL CG2 C 21.099 . . 1077 103 106 VAL N N 118.481 . . 1078 104 107 LEU H H 8.108 . . 1079 104 107 LEU HA H 3.915 . . 1080 104 107 LEU HB2 H 1.661 . . 1081 104 107 LEU HB3 H 1.758 . . 1082 104 107 LEU HG H 1.212 . . 1083 104 107 LEU HD1 H 0.846 . . 1084 104 107 LEU HD2 H 0.892 . . 1085 104 107 LEU C C 178.811 . . 1086 104 107 LEU CA C 58.365 . . 1087 104 107 LEU CB C 41.706 . . 1088 104 107 LEU CD1 C 24.707 . . 1089 104 107 LEU CD2 C 23.924 . . 1090 104 107 LEU N N 118.685 . . 1091 105 108 LYS H H 7.902 . . 1092 105 108 LYS HA H 3.98 . . 1093 105 108 LYS HB2 H 1.894 . . 1094 105 108 LYS HB3 H 1.977 . . 1095 105 108 LYS HG3 H 1.17 . . 1096 105 108 LYS HD3 H 1.585 . . 1097 105 108 LYS C C 179.722 . . 1098 105 108 LYS CA C 59.537 . . 1099 105 108 LYS CB C 32.373 . . 1100 105 108 LYS CG C 24.464 . . 1101 105 108 LYS N N 119.627 . . 1102 106 109 LEU H H 8.145 . . 1103 106 109 LEU HA H 4.097 . . 1104 106 109 LEU HB2 H 1.984 . . 1105 106 109 LEU HB3 H 1.55 . . 1106 106 109 LEU HG H 1.977 . . 1107 106 109 LEU HD1 H 0.962 . . 1108 106 109 LEU HD2 H 0.855 . . 1109 106 109 LEU C C 180.301 . . 1110 106 109 LEU CA C 57.642 . . 1111 106 109 LEU CB C 42.403 . . 1112 106 109 LEU CD1 C 22.639 . . 1113 106 109 LEU CD2 C 26.015 . . 1114 106 109 LEU N N 118.847 . . 1115 107 110 ARG H H 9.058 . . 1116 107 110 ARG HA H 3.853 . . 1117 107 110 ARG HB2 H 1.877 . . 1118 107 110 ARG HB3 H 2.06 . . 1119 107 110 ARG HG2 H 1.63 . . 1120 107 110 ARG HG3 H 1.684 . . 1121 107 110 ARG HD2 H 3.208 . . 1122 107 110 ARG HD3 H 3.338 . . 1123 107 110 ARG C C 177.573 . . 1124 107 110 ARG CA C 59.811 . . 1125 107 110 ARG CB C 30.349 . . 1126 107 110 ARG CG C 26.73 . . 1127 107 110 ARG CD C 43.725 . . 1128 107 110 ARG N N 122.628 . . 1129 108 111 ASN H H 8.138 . . 1130 108 111 ASN HA H 4.512 . . 1131 108 111 ASN HB2 H 2.966 . . 1132 108 111 ASN HB3 H 2.843 . . 1133 108 111 ASN HD21 H 6.813 . . 1134 108 111 ASN HD22 H 7.556 . . 1135 108 111 ASN C C 178.074 . . 1136 108 111 ASN CA C 55.979 . . 1137 108 111 ASN CB C 37.646 . . 1138 108 111 ASN N N 117.671 . . 1139 108 111 ASN ND2 N 111.367 . . 1140 109 112 ILE H H 7.725 . . 1141 109 112 ILE HA H 3.826 . . 1142 109 112 ILE HB H 1.848 . . 1143 109 112 ILE HG12 H 1.467 . . 1144 109 112 ILE HG13 H 1.167 . . 1145 109 112 ILE HG2 H 0.889 . . 1146 109 112 ILE HD1 H 0.853 . . 1147 109 112 ILE C C 178.227 . . 1148 109 112 ILE CA C 64.939 . . 1149 109 112 ILE CB C 38.634 . . 1150 109 112 ILE CG1 C 27.472 . . 1151 109 112 ILE CG2 C 17.476 . . 1152 109 112 ILE CD1 C 13.834 . . 1153 109 112 ILE N N 120.961 . . 1154 110 113 LYS H H 7.76 . . 1155 110 113 LYS HA H 4.083 . . 1156 110 113 LYS HB2 H 1.979 . . 1157 110 113 LYS HB3 H 1.948 . . 1158 110 113 LYS HG3 H 1.466 . . 1159 110 113 LYS C C 178.932 . . 1160 110 113 LYS CA C 58.561 . . 1161 110 113 LYS CB C 32.065 . . 1162 110 113 LYS CG C 25.176 . . 1163 110 113 LYS N N 120.952 . . 1164 111 114 LEU H H 8.104 . . 1165 111 114 LEU HA H 4.05 . . 1166 111 114 LEU HB2 H 1.556 . . 1167 111 114 LEU HB3 H 1.858 . . 1168 111 114 LEU HG H 1.743 . . 1169 111 114 LEU HD1 H 0.9 . . 1170 111 114 LEU C C 179.046 . . 1171 111 114 LEU CA C 57.288 . . 1172 111 114 LEU CB C 42.355 . . 1173 111 114 LEU CD2 C 25.542 . . 1174 111 114 LEU N N 118.211 . . 1175 112 115 GLU H H 7.824 . . 1176 112 115 GLU HA H 4.054 . . 1177 112 115 GLU HB2 H 2.06 . . 1178 112 115 GLU HB3 H 2.021 . . 1179 112 115 GLU HG2 H 2.347 . . 1180 112 115 GLU HG3 H 2.209 . . 1181 112 115 GLU C C 177.541 . . 1182 112 115 GLU CA C 58.195 . . 1183 112 115 GLU CB C 29.651 . . 1184 112 115 GLU CG C 36.316 . . 1185 112 115 GLU N N 118.432 . . 1186 113 116 HIS H H 7.803 . . 1187 113 116 HIS HA H 4.657 . . 1188 113 116 HIS HB2 H 3.194 . . 1189 113 116 HIS HB3 H 3.4 . . 1190 113 116 HIS C C 174.873 . . 1191 113 116 HIS CA C 56.094 . . 1192 113 116 HIS CB C 29.222 . . 1193 113 116 HIS N N 115.964 . . 1194 114 117 LEU H H 7.716 . . 1195 114 117 LEU HA H 4.339 . . 1196 114 117 LEU HB2 H 1.724 . . 1197 114 117 LEU HB3 H 1.616 . . 1198 114 117 LEU HD1 H 0.852 . . 1199 114 117 LEU HD2 H 0.892 . . 1200 114 117 LEU C C 176.338 . . 1201 114 117 LEU CA C 55.474 . . 1202 114 117 LEU CB C 42.568 . . 1203 114 117 LEU CD1 C 25.725 . . 1204 114 117 LEU CD2 C 23.679 . . 1205 114 117 LEU N N 121.665 . . 1206 115 118 LYS H H 7.574 . . 1207 115 118 LYS HA H 4.104 . . 1208 115 118 LYS HB2 H 1.812 . . 1209 115 118 LYS HB3 H 1.726 . . 1210 115 118 LYS HG3 H 1.409 . . 1211 115 118 LYS HD3 H 1.67 . . 1212 115 118 LYS HE3 H 2.972 . . 1213 115 118 LYS C C 181.189 . . 1214 115 118 LYS CA C 57.997 . . 1215 115 118 LYS CB C 33.885 . . 1216 115 118 LYS CG C 24.921 . . 1217 115 118 LYS CD C 29.219 . . 1218 115 118 LYS CE C 42.245 . . 1219 115 118 LYS N N 125.981 . . stop_ save_