data_7120 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The SAM domain of DLC1 defines a novel structure that interacts with elongation factor 1A1 at cortical actin and membrane ruffles ; _BMRB_accession_number 7120 _BMRB_flat_file_name bmr7120.str _Entry_type original _Submission_date 2006-05-18 _Accession_date 2006-06-02 _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 Yang S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 256 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-27 original author . stop_ _Original_release_date 2009-05-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The SAM domain of DLC1 defines a novel structure that interacts with elongation factor 1A1 at cortical actin and membrane ruffles' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhong D. . . 2 Yang S. . . 3 Zhang J. . . 4 Buschdorf J. P. . 5 Yang D. . . 6 Low B. C. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'protein structure' 'SAM domain' stop_ save_ ################################## # Molecular system description # ################################## save_system_DLC1-SAM _Saveframe_category molecular_system _Mol_system_name 'Rho-GTPase-activating protein 7' _Abbreviation_common 'Rho-GTPase-activating protein 7' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Deleted in liver cancer 1 protein, isoform 2' $DLC1-SAM stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DLC1-SAM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Rho-GTPase-activating protein 7' _Abbreviation_common 'Rho-GTPase-activating protein 7' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MCRKKPDTMILTQIEAKEAC DWLRATGFPQYAQLYEDFLF PIDISLVKREHDFLDRDAIE ALCRRLNTLNKCAVMK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 CYS 3 3 ARG 4 4 LYS 5 5 LYS 6 6 PRO 7 7 ASP 8 8 THR 9 9 MET 10 10 ILE 11 11 LEU 12 12 THR 13 13 GLN 14 14 ILE 15 15 GLU 16 16 ALA 17 17 LYS 18 18 GLU 19 19 ALA 20 20 CYS 21 21 ASP 22 22 TRP 23 23 LEU 24 24 ARG 25 25 ALA 26 26 THR 27 27 GLY 28 28 PHE 29 29 PRO 30 30 GLN 31 31 TYR 32 32 ALA 33 33 GLN 34 34 LEU 35 35 TYR 36 36 GLU 37 37 ASP 38 38 PHE 39 39 LEU 40 40 PHE 41 41 PRO 42 42 ILE 43 43 ASP 44 44 ILE 45 45 SER 46 46 LEU 47 47 VAL 48 48 LYS 49 49 ARG 50 50 GLU 51 51 HIS 52 52 ASP 53 53 PHE 54 54 LEU 55 55 ASP 56 56 ARG 57 57 ASP 58 58 ALA 59 59 ILE 60 60 GLU 61 61 ALA 62 62 LEU 63 63 CYS 64 64 ARG 65 65 ARG 66 66 LEU 67 67 ASN 68 68 THR 69 69 LEU 70 70 ASN 71 71 LYS 72 72 CYS 73 73 ALA 74 74 VAL 75 75 MET 76 76 LYS 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 2DKY "Solution Structure Of The Sam-Domain Of Rho-Gtpase- Activating Protein 7" 100.00 91 100.00 100.00 4.73e-49 PDB 2GYT "Solution Structure Of The Sam (Sterile Alpha Motif) Domain Of Dlc1 (Deleted In Liver Cancer 1)" 100.00 76 100.00 100.00 3.54e-48 PDB 2KAP "Solution Structure Of Dlc1-Sam" 78.95 60 100.00 100.00 8.49e-36 DBJ BAB21814 "KIAA1723 protein [Homo sapiens]" 84.21 1554 98.44 100.00 1.09e-35 DBJ BAF82423 "unnamed protein product [Homo sapiens]" 100.00 1091 100.00 100.00 1.06e-45 DBJ BAF84371 "unnamed protein product [Homo sapiens]" 84.21 1528 98.44 100.00 1.05e-35 DBJ BAG10131 "Rho GTPase-activating protein 7 [synthetic construct]" 84.21 1528 98.44 100.00 1.13e-35 GB AAB81637 "HP protein [Homo sapiens]" 89.47 1083 100.00 100.00 3.96e-39 GB AAB87700 "deleted in liver cancer-1 [Homo sapiens]" 100.00 1091 100.00 100.00 1.27e-45 GB AAH54511 "Deleted in liver cancer 1 [Homo sapiens]" 84.21 1528 98.44 100.00 1.12e-35 GB AAK97501 "deleted in liver cancer 1 [Homo sapiens]" 100.00 1091 100.00 100.00 1.06e-45 GB ACE86794 "deleted in liver cancer 1 protein [synthetic construct]" 84.21 1528 98.44 100.00 1.12e-35 PIR G59435 "DLC-1 (deleted in liver cancer), p122 [imported] - human" 100.00 1091 100.00 100.00 1.27e-45 REF NP_006085 "rho GTPase-activating protein 7 isoform 2 [Homo sapiens]" 100.00 1091 100.00 100.00 1.06e-45 REF NP_872584 "rho GTPase-activating protein 7 isoform 1 [Homo sapiens]" 84.21 1528 98.44 100.00 1.08e-35 REF XP_001092830 "PREDICTED: rho GTPase-activating protein 7 isoform 6 [Macaca mulatta]" 84.21 1528 98.44 100.00 7.85e-36 REF XP_002919590 "PREDICTED: rho GTPase-activating protein 7-like isoform 2 [Ailuropoda melanoleuca]" 100.00 1091 97.37 97.37 7.96e-44 REF XP_003256738 "PREDICTED: rho GTPase-activating protein 7 isoform 1 [Nomascus leucogenys]" 100.00 1091 98.68 100.00 3.72e-45 SP Q96QB1 "RecName: Full=Rho GTPase-activating protein 7; AltName: Full=Deleted in liver cancer 1 protein; Short=DLC-1; AltName: Full=HP p" 84.21 1528 98.44 100.00 1.08e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DLC1-SAM 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 $DLC1-SAM 'recombinant technology' 'E. coli' Escherichia coli . . 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 $DLC1-SAM 1 mM '[U-15N; U-13C]' 'sodium phosphate buffer' 50 mM . DTT 3 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DLC1-SAM 1 mM [U-15N] 'sodium phosphate buffer' 50 mM . DTT 3 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task collection stop_ _Details BRUKER save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2_01 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.A.' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004.126.16.02 loop_ _Task processing stop_ _Details 'Delaglio, F. et al' save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7 loop_ _Task refinement stop_ _Details 'Case, D.A. et al' save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2003.027.13.05 loop_ _Task refinement stop_ _Details 'Cornilescu,G. et al' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.5 loop_ _Task 'structure solution' stop_ _Details 'Guntert, P. et al' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Deleted in liver cancer 1 protein, isoform 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 ARG CA C 56.077 0.3 1 2 3 3 ARG HA H 4.303 0.04 1 3 3 3 ARG CB C 30.761 0.3 1 4 3 3 ARG HB3 H 1.824 0.04 2 5 3 3 ARG HB2 H 1.718 0.04 2 6 3 3 ARG CG C 27.194 0.3 1 7 3 3 ARG HG3 H 1.602 0.04 2 8 3 3 ARG CD C 43.254 0.3 1 9 3 3 ARG HD3 H 3.157 0.04 2 10 4 4 LYS N N 123.378 0.2 1 11 4 4 LYS H H 8.419 0.04 1 12 4 4 LYS CA C 56.251 0.3 1 13 4 4 LYS HA H 2.959 0.04 1 14 4 4 LYS CB C 33.216 0.3 1 15 4 4 LYS HB3 H 1.736 0.04 2 16 4 4 LYS HB2 H 1.714 0.04 2 17 4 4 LYS CG C 24.738 0.3 1 18 4 4 LYS HG3 H 1.389 0.04 2 19 4 4 LYS CD C 29.075 0.3 1 20 4 4 LYS HD3 H 1.736 0.04 2 21 4 4 LYS CE C 42.075 0.3 1 22 4 4 LYS HE3 H 2.959 0.04 2 23 5 5 LYS N N 124.865 0.2 1 24 5 5 LYS H H 8.464 0.04 1 25 5 5 LYS CA C 54.472 0.3 1 26 5 5 LYS HA H 4.527 0.04 1 27 5 5 LYS CB C 32.425 0.3 1 28 5 5 LYS HB3 H 1.81 0.04 2 29 5 5 LYS HB2 H 1.711 0.04 2 30 5 5 LYS CG C 24.8 0.3 1 31 5 5 LYS HG3 H 1.456 0.04 2 32 6 6 PRO CA C 63.291 0.3 1 33 6 6 PRO HA H 4.369 0.04 1 34 6 6 PRO CB C 32.112 0.3 1 35 6 6 PRO HB3 H 2.256 0.04 2 36 6 6 PRO HB2 H 1.861 0.04 2 37 6 6 PRO CG C 27.429 0.3 1 38 6 6 PRO HG3 H 1.98 0.04 2 39 6 6 PRO CD C 50.646 0.3 1 40 6 6 PRO HD3 H 3.795 0.04 2 41 6 6 PRO HD2 H 3.613 0.04 2 42 7 7 ASP N N 120.796 0.2 1 43 7 7 ASP H H 8.452 0.04 1 44 7 7 ASP CA C 54.675 0.3 1 45 7 7 ASP HA H 4.563 0.04 1 46 7 7 ASP CB C 41.039 0.3 1 47 7 7 ASP HB3 H 2.711 0.04 2 48 7 7 ASP HB2 H 2.63 0.04 2 49 8 8 THR N N 114.284 0.2 1 50 8 8 THR H H 8.086 0.04 1 51 8 8 THR CA C 69.481 0.3 1 52 8 8 THR HA H 4.231 0.04 1 53 8 8 THR CB C 63.078 0.3 1 54 8 8 THR HB H 4.504 0.04 1 55 8 8 THR CG2 C 21.85 0.3 1 56 8 8 THR HG2 H 1.212 0.04 1 57 9 9 MET N N 122.688 0.2 1 58 9 9 MET H H 8.408 0.04 1 59 9 9 MET CA C 56.748 0.3 1 60 9 9 MET HA H 4.425 0.04 1 61 9 9 MET CB C 32.203 0.3 1 62 9 9 MET HB3 H 2.089 0.04 2 63 9 9 MET CG C 32.203 0.3 1 64 9 9 MET HG3 H 2.597 0.04 2 65 9 9 MET HG2 H 2.51 0.04 2 66 10 10 ILE N N 121.165 0.2 1 67 10 10 ILE H H 7.983 0.04 1 68 10 10 ILE CA C 62.521 0.3 1 69 10 10 ILE HA H 4.047 0.04 1 70 10 10 ILE CB C 38.043 0.3 1 71 10 10 ILE HB H 1.917 0.04 1 72 10 10 ILE CG1 C 27.82 0.3 2 73 10 10 ILE HG13 H 1.489 0.04 4 74 10 10 ILE HG12 H 1.241 0.04 9 75 10 10 ILE CD1 C 12.82 0.3 1 76 10 10 ILE HD1 H 0.853 0.04 1 77 10 10 ILE CG2 C 17.547 0.3 2 78 10 10 ILE HG2 H 0.933 0.04 4 79 11 11 LEU N N 123.007 0.2 1 80 11 11 LEU H H 8.152 0.04 1 81 11 11 LEU CA C 56.782 0.3 1 82 11 11 LEU HA H 4.252 0.04 1 83 11 11 LEU CB C 41.767 0.3 1 84 11 11 LEU HB3 H 1.76 0.04 2 85 11 11 LEU HB2 H 1.613 0.04 2 86 11 11 LEU CG C 26.963 0.3 1 87 11 11 LEU HG H 1.569 0.04 1 88 11 11 LEU CD1 C 23.468 0.3 2 89 11 11 LEU HD1 H 0.836 0.04 4 90 11 11 LEU CD2 C 25.095 0.3 2 91 11 11 LEU HD2 H 0.899 0.04 4 92 12 12 THR N N 113.928 0.2 1 93 12 12 THR H H 8.034 0.04 1 94 12 12 THR CA C 64.294 0.3 1 95 12 12 THR HA H 4.206 0.04 1 96 12 12 THR CB C 69.558 0.3 1 97 12 12 THR HB H 4.314 0.04 1 98 12 12 THR CG2 C 22.252 0.3 1 99 12 12 THR HG2 H 1.303 0.04 1 100 13 13 GLN N N 120.744 0.2 1 101 13 13 GLN H H 8.023 0.04 1 102 13 13 GLN CA C 57.989 0.3 1 103 13 13 GLN HA H 4.216 0.04 1 104 13 13 GLN CB C 28.496 0.3 1 105 13 13 GLN HB3 H 2.201 0.04 2 106 13 13 GLN HB2 H 2.131 0.04 2 107 13 13 GLN CG C 34.071 0.3 1 108 13 13 GLN HG3 H 2.52 0.04 2 109 13 13 GLN HG2 H 2.442 0.04 2 110 13 13 GLN NE2 N 111.933 0.2 1 111 13 13 GLN HE21 H 7.576 0.04 2 112 13 13 GLN HE22 H 6.92 0.04 2 113 14 14 ILE N N 122.961 0.2 1 114 14 14 ILE H H 8.162 0.04 1 115 14 14 ILE CA C 64.705 0.3 1 116 14 14 ILE HA H 3.778 0.04 1 117 14 14 ILE CB C 37.979 0.3 1 118 14 14 ILE HB H 1.904 0.04 1 119 14 14 ILE CG1 C 28.777 0.3 2 120 14 14 ILE HG13 H 1.199 0.04 4 121 14 14 ILE HG12 H 1.648 0.04 9 122 14 14 ILE CD1 C 13.115 0.3 1 123 14 14 ILE HD1 H 0.893 0.04 1 124 14 14 ILE CG2 C 17.163 0.3 2 125 14 14 ILE HG2 H 0.893 0.04 4 126 15 15 GLU N N 120.568 0.2 1 127 15 15 GLU H H 8.404 0.04 1 128 15 15 GLU CA C 59.597 0.3 1 129 15 15 GLU HA H 3.993 0.04 1 130 15 15 GLU CB C 29.348 0.3 1 131 15 15 GLU HB3 H 1.995 0.04 2 132 15 15 GLU HB2 H 1.835 0.04 2 133 15 15 GLU CG C 36.81 0.3 1 134 15 15 GLU HG3 H 2.269 0.04 2 135 15 15 GLU HG2 H 2.137 0.04 2 136 16 16 ALA N N 122.017 0.2 1 137 16 16 ALA H H 7.968 0.04 1 138 16 16 ALA CA C 54.615 0.3 1 139 16 16 ALA HA H 3.794 0.04 1 140 16 16 ALA CB C 18.232 0.3 1 141 16 16 ALA HB H 1.355 0.04 1 142 17 17 LYS N N 120.914 0.2 1 143 17 17 LYS H H 7.987 0.04 1 144 17 17 LYS CA C 59.603 0.3 1 145 17 17 LYS HA H 3.962 0.04 1 146 17 17 LYS CB C 32.077 0.3 1 147 17 17 LYS HB3 H 1.995 0.04 2 148 17 17 LYS HB2 H 1.93 0.04 2 149 17 17 LYS CG C 24.869 0.3 1 150 17 17 LYS HG3 H 1.454 0.04 2 151 17 17 LYS HG2 H 1.43 0.04 9 152 17 17 LYS CD C 28.805 0.3 1 153 17 17 LYS HD3 H 1.731 0.04 2 154 17 17 LYS HD2 H 1.608 0.04 2 155 17 17 LYS CE C 42.4 0.3 1 156 17 17 LYS HE3 H 2.996 0.04 2 157 18 18 GLU N N 118.005 0.2 1 158 18 18 GLU H H 8.177 0.04 1 159 18 18 GLU CA C 59.603 0.3 1 160 18 18 GLU HA H 4.072 0.04 1 161 18 18 GLU CB C 29.353 0.3 1 162 18 18 GLU HB3 H 2.103 0.04 2 163 18 18 GLU HB2 H 2.021 0.04 2 164 18 18 GLU CG C 36.589 0.3 1 165 18 18 GLU HG3 H 2.482 0.04 2 166 18 18 GLU HG2 H 2.214 0.04 2 167 19 19 ALA N N 122.151 0.2 1 168 19 19 ALA H H 7.735 0.04 1 169 19 19 ALA CA C 55.362 0.3 1 170 19 19 ALA HA H 4.27 0.04 1 171 19 19 ALA CB C 17.375 0.3 1 172 19 19 ALA HB H 1.388 0.04 1 173 20 20 CYS N N 117.108 0.2 1 174 20 20 CYS H H 8.503 0.04 1 175 20 20 CYS CA C 65.69 0.3 1 176 20 20 CYS HA H 4.095 0.04 1 177 20 20 CYS CB C 27.449 0.3 1 178 20 20 CYS HB3 H 3.224 0.04 2 179 20 20 CYS HB2 H 2.749 0.04 2 180 21 21 ASP N N 120.722 0.2 1 181 21 21 ASP H H 8.913 0.04 1 182 21 21 ASP CA C 57.503 0.3 1 183 21 21 ASP HA H 4.328 0.04 1 184 21 21 ASP CB C 39.569 0.3 1 185 21 21 ASP HB3 H 2.87 0.04 2 186 21 21 ASP HB2 H 2.638 0.04 2 187 22 22 TRP N N 122.783 0.2 1 188 22 22 TRP H H 8.234 0.04 1 189 22 22 TRP CA C 62.65 0.3 1 190 22 22 TRP HA H 4.105 0.04 1 191 22 22 TRP CB C 29.475 0.3 1 192 22 22 TRP HB3 H 3.516 0.04 2 193 22 22 TRP HB2 H 3.359 0.04 2 194 22 22 TRP CD1 C 127.716 0.3 1 195 22 22 TRP HD1 H 7.244 0.04 1 196 22 22 TRP NE1 N 131.12 0.2 1 197 22 22 TRP HE1 H 10.078 0.04 1 198 22 22 TRP CZ2 C 115.548 0.3 1 199 22 22 TRP HZ2 H 7.501 0.04 1 200 22 22 TRP CH2 C 124.054 0.3 1 201 22 22 TRP HH2 H 7.19 0.04 1 202 22 22 TRP CZ3 C 121.069 0.3 1 203 22 22 TRP HZ3 H 6.902 0.04 1 204 22 22 TRP CE3 C 118.712 0.3 1 205 22 22 TRP HE3 H 7.196 0.04 1 206 23 23 LEU N N 122.356 0.2 1 207 23 23 LEU H H 8.858 0.04 1 208 23 23 LEU CA C 58.973 0.3 1 209 23 23 LEU HA H 4.031 0.04 1 210 23 23 LEU CB C 40.806 0.3 1 211 23 23 LEU HB3 H 2.189 0.04 2 212 23 23 LEU HB2 H 1.996 0.04 2 213 23 23 LEU CG C 27.495 0.3 1 214 23 23 LEU HG H 2.315 0.04 1 215 23 23 LEU CD1 C 27.495 0.3 2 216 23 23 LEU HD1 H 0.843 0.04 4 217 23 23 LEU CD2 C 25.019 0.3 2 218 23 23 LEU HD2 H 1.223 0.04 4 219 24 24 ARG N N 116.383 0.2 1 220 24 24 ARG H H 8.11 0.04 1 221 24 24 ARG CA C 60.781 0.3 1 222 24 24 ARG HA H 3.662 0.04 1 223 24 24 ARG CB C 30.333 0.3 1 224 24 24 ARG HB3 H 1.845 0.04 2 225 24 24 ARG HB2 H 1.458 0.04 2 226 24 24 ARG CD C 42.915 0.3 1 227 24 24 ARG HD3 H 3.19 0.04 2 228 25 25 ALA N N 121.085 0.2 1 229 25 25 ALA H H 8.046 0.04 1 230 25 25 ALA CA C 54.122 0.3 1 231 25 25 ALA HA H 4.051 0.04 1 232 25 25 ALA CB C 18.871 0.3 1 233 25 25 ALA HB H 1.266 0.04 1 234 26 26 THR N N 111.32 0.2 1 235 26 26 THR H H 7.466 0.04 1 236 26 26 THR CA C 62.081 0.3 1 237 26 26 THR HA H 3.907 0.04 1 238 26 26 THR CB C 68.768 0.3 1 239 26 26 THR HB H 3.021 0.04 1 240 26 26 THR CG2 C 22.431 0.3 1 241 26 26 THR HG2 H 0.857 0.04 1 242 27 27 GLY N N 120.534 0.2 1 243 27 27 GLY H H 7.092 0.04 1 244 27 27 GLY CA C 44.857 0.3 1 245 27 27 GLY HA3 H 3.863 0.04 2 246 27 27 GLY HA2 H 3.512 0.04 2 247 28 28 PHE N N 118.38 0.2 1 248 28 28 PHE H H 8.575 0.04 1 249 28 28 PHE CA C 55.072 0.3 9 250 28 28 PHE HA H 5.167 0.04 1 251 28 28 PHE CB C 40.933 0.3 9 252 28 28 PHE HB3 H 3.432 0.04 2 253 28 28 PHE HB2 H 2.806 0.04 2 254 28 28 PHE CD1 C 132.476 0.3 3 255 28 28 PHE HD1 H 7.032 0.04 3 256 28 28 PHE CE1 C 131.704 0.3 3 257 28 28 PHE HE1 H 7.156 0.04 3 258 28 28 PHE CZ C 129.584 0.3 1 259 28 28 PHE HZ H 7.163 0.04 1 260 29 29 PRO CA C 65.68 0.3 1 261 29 29 PRO HA H 3.97 0.04 1 262 29 29 PRO CB C 31.455 0.3 1 263 29 29 PRO HB3 H 2.261 0.04 2 264 29 29 PRO HB2 H 2.145 0.04 2 265 29 29 PRO CG C 27.402 0.3 1 266 29 29 PRO HG3 H 2.089 0.04 9 267 29 29 PRO HG2 H 2.022 0.04 9 268 29 29 PRO CD C 50.808 0.3 1 269 29 29 PRO HD3 H 3.714 0.04 9 270 29 29 PRO HD2 H 3.365 0.04 9 271 30 30 GLN N N 121.324 0.2 1 272 30 30 GLN H H 10.147 0.04 1 273 30 30 GLN CA C 58.106 0.3 1 274 30 30 GLN HA H 4.243 0.04 1 275 30 30 GLN CB C 26.194 0.3 1 276 30 30 GLN HB3 H 1.988 0.04 2 277 30 30 GLN HB2 H 1.863 0.04 2 278 30 30 GLN CG C 31.814 0.3 1 279 30 30 GLN HG3 H 2.316 0.04 2 280 30 30 GLN HG2 H 1.565 0.04 2 281 30 30 GLN NE2 N 112.236 0.2 1 282 30 30 GLN HE21 H 7.591 0.04 2 283 30 30 GLN HE22 H 7.685 0.04 2 284 31 31 TYR N N 119.417 0.2 1 285 31 31 TYR H H 7.238 0.04 1 286 31 31 TYR CA C 60.701 0.3 1 287 31 31 TYR HA H 4.718 0.04 1 288 31 31 TYR CB C 39.245 0.3 1 289 31 31 TYR HB3 H 3.242 0.04 2 290 31 31 TYR HB2 H 3.009 0.04 2 291 31 31 TYR CD1 C 131.659 0.3 3 292 31 31 TYR HD1 H 7.085 0.04 3 293 31 31 TYR CE1 C 118.683 0.3 3 294 31 31 TYR HE1 H 6.8 0.04 3 295 32 32 ALA N N 121.403 0.2 1 296 32 32 ALA H H 6.835 0.04 1 297 32 32 ALA CA C 54.899 0.3 1 298 32 32 ALA HA H 4.231 0.04 1 299 32 32 ALA CB C 18.434 0.3 1 300 32 32 ALA HB H 1.535 0.04 1 301 33 33 GLN N N 117.03 0.2 1 302 33 33 GLN H H 7.958 0.04 1 303 33 33 GLN CA C 58.774 0.3 1 304 33 33 GLN HA H 3.572 0.04 1 305 33 33 GLN CB C 28.962 0.3 1 306 33 33 GLN HB3 H 2.061 0.04 2 307 33 33 GLN HB2 H 1.928 0.04 2 308 33 33 GLN CG C 37.107 0.3 1 309 33 33 GLN HG3 H 2.649 0.04 2 310 33 33 GLN HG2 H 2.284 0.04 2 311 33 33 GLN NE2 N 116.694 0.2 1 312 33 33 GLN HE21 H 7.958 0.04 2 313 33 33 GLN HE22 H 6.863 0.04 2 314 34 34 LEU N N 117.697 0.2 1 315 34 34 LEU H H 7.845 0.04 1 316 34 34 LEU CA C 58.293 0.3 1 317 34 34 LEU HA H 4.188 0.04 1 318 34 34 LEU CB C 43.237 0.3 1 319 34 34 LEU HB3 H 2.251 0.04 2 320 34 34 LEU HB2 H 1.699 0.04 2 321 34 34 LEU CG C 26.827 0.3 1 322 34 34 LEU HG H 1.906 0.04 1 323 34 34 LEU CD1 C 24.359 0.3 2 324 34 34 LEU HD1 H 0.952 0.04 4 325 34 34 LEU CD2 C 25.842 0.3 2 326 34 34 LEU HD2 H 0.952 0.04 4 327 35 35 TYR N N 118.476 0.2 1 328 35 35 TYR H H 7.587 0.04 1 329 35 35 TYR CA C 62.281 0.3 1 330 35 35 TYR HA H 3.813 0.04 1 331 35 35 TYR CB C 37.688 0.3 1 332 35 35 TYR HB3 H 2.846 0.04 2 333 35 35 TYR HB2 H 2.079 0.04 2 334 35 35 TYR CD1 C 133.558 0.3 3 335 35 35 TYR HD1 H 6.288 0.04 3 336 35 35 TYR CE1 C 118.211 0.3 3 337 35 35 TYR HE1 H 6.556 0.04 3 338 36 36 GLU N N 122.157 0.2 1 339 36 36 GLU H H 8.274 0.04 1 340 36 36 GLU CA C 58.774 0.3 1 341 36 36 GLU HA H 3.572 0.04 1 342 36 36 GLU CB C 28.962 0.3 1 343 36 36 GLU HB3 H 2.061 0.04 2 344 36 36 GLU HB2 H 1.928 0.04 2 345 36 36 GLU CG C 37.107 0.3 1 346 36 36 GLU HG3 H 2.649 0.04 2 347 36 36 GLU HG2 H 2.284 0.04 2 348 37 37 ASP N N 117.698 0.2 1 349 37 37 ASP H H 7.846 0.04 1 350 37 37 ASP CA C 54.42 0.3 1 351 37 37 ASP HA H 4.581 0.04 1 352 37 37 ASP CB C 40.594 0.3 1 353 37 37 ASP HB3 H 2.904 0.04 2 354 37 37 ASP HB2 H 2.684 0.04 2 355 38 38 PHE N N 112.901 0.2 1 356 38 38 PHE H H 7.578 0.04 1 357 38 38 PHE CA C 59.261 0.3 1 358 38 38 PHE HA H 4.445 0.04 1 359 38 38 PHE CB C 34.651 0.3 1 360 38 38 PHE HB3 H 3.365 0.04 2 361 38 38 PHE CD1 C 131.846 0.3 3 362 38 38 PHE HD1 H 7.156 0.04 3 363 38 38 PHE CE1 C 131.518 0.3 3 364 38 38 PHE HE1 H 7.297 0.04 3 365 38 38 PHE CZ C 129.214 0.3 1 366 38 38 PHE HZ H 7.246 0.04 1 367 39 39 LEU N N 117.428 0.2 1 368 39 39 LEU H H 8.056 0.04 1 369 39 39 LEU CA C 54.652 0.3 1 370 39 39 LEU HA H 4.688 0.04 1 371 39 39 LEU CB C 42.034 0.3 1 372 39 39 LEU HB3 H 1.778 0.04 2 373 39 39 LEU HB2 H 1.685 0.04 2 374 39 39 LEU CG C 26.348 0.3 1 375 39 39 LEU HG H 1.601 0.04 1 376 39 39 LEU CD1 C 26.375 0.3 9 377 39 39 LEU HD1 H 0.986 0.04 4 378 39 39 LEU CD2 C 22.806 0.3 2 379 39 39 LEU HD2 H 0.893 0.04 4 380 40 40 PHE N N 122.11 0.2 1 381 40 40 PHE H H 8.055 0.04 1 382 40 40 PHE CA C 57.471 0.3 9 383 40 40 PHE HA H 4.26 0.04 1 384 40 40 PHE CB C 39.864 0.3 9 385 40 40 PHE HB3 H 3.71 0.04 2 386 40 40 PHE HB2 H 2.534 0.04 2 387 40 40 PHE CD1 C 130.827 0.3 3 388 40 40 PHE HD1 H 7.353 0.04 3 389 40 40 PHE CE1 C 132.865 0.3 3 390 40 40 PHE HE1 H 7.584 0.04 3 391 40 40 PHE CZ C 128.71 0.3 1 392 40 40 PHE HZ H 7.032 0.04 1 393 41 41 PRO CA C 62.12 0.3 1 394 41 41 PRO HA H 4.892 0.04 1 395 41 41 PRO CB C 36.473 0.3 1 396 41 41 PRO HB3 H 2.259 0.04 2 397 41 41 PRO HB2 H 1.987 0.04 2 398 41 41 PRO CG C 24.658 0.3 1 399 41 41 PRO HG3 H 1.859 0.04 2 400 41 41 PRO HG2 H 1.793 0.04 2 401 41 41 PRO CD C 51.62 0.3 1 402 41 41 PRO HD3 H 3.624 0.04 9 403 41 41 PRO HD2 H 3.375 0.04 9 404 42 42 ILE N N 118.081 0.2 1 405 42 42 ILE H H 8.889 0.04 1 406 42 42 ILE CA C 58.921 0.3 1 407 42 42 ILE HA H 4.456 0.04 1 408 42 42 ILE CB C 41.016 0.3 1 409 42 42 ILE HB H 1.052 0.04 1 410 42 42 ILE CG1 C 26.22 0.3 2 411 42 42 ILE HG13 H 0.886 0.04 9 412 42 42 ILE HG12 H 0.458 0.04 9 413 42 42 ILE CD1 C 15.225 0.3 1 414 42 42 ILE HD1 H 0.458 0.04 1 415 42 42 ILE CG2 C 17.316 0.3 2 416 42 42 ILE HG2 H 0.186 0.04 4 417 43 43 ASP N N 122.781 0.2 1 418 43 43 ASP H H 8.268 0.04 1 419 43 43 ASP CA C 53.171 0.3 1 420 43 43 ASP HA H 4.554 0.04 1 421 43 43 ASP CB C 40.531 0.3 1 422 43 43 ASP HB3 H 2.883 0.04 2 423 43 43 ASP HB2 H 2.494 0.04 2 424 44 44 ILE N N 128.431 0.2 1 425 44 44 ILE H H 8.674 0.04 1 426 44 44 ILE CA C 63.461 0.3 1 427 44 44 ILE HA H 3.474 0.04 1 428 44 44 ILE CB C 37.032 0.3 1 429 44 44 ILE HB H 1.858 0.04 1 430 44 44 ILE CG1 C 28.809 0.3 2 431 44 44 ILE HG13 H 1.611 0.04 9 432 44 44 ILE HG12 H 1.054 0.04 9 433 44 44 ILE CD1 C 12.158 0.3 1 434 44 44 ILE HD1 H 0.673 0.04 1 435 44 44 ILE CG2 C 17.976 0.3 2 436 44 44 ILE HG2 H 0.873 0.04 4 437 45 45 SER N N 117.517 0.2 1 438 45 45 SER H H 8.346 0.04 1 439 45 45 SER CA C 62.185 0.3 1 440 45 45 SER HA H 4.028 0.04 1 441 45 45 SER CB C 62.185 0.3 1 442 45 45 SER HB3 H 3.925 0.04 2 443 46 46 LEU N N 123.396 0.2 1 444 46 46 LEU H H 7.226 0.04 1 445 46 46 LEU CA C 57.422 0.3 1 446 46 46 LEU HA H 4.077 0.04 1 447 46 46 LEU CB C 41.263 0.3 1 448 46 46 LEU HB3 H 1.753 0.04 2 449 46 46 LEU HB2 H 1.68 0.04 2 450 46 46 LEU CG C 26.907 0.3 1 451 46 46 LEU HG H 1.547 0.04 1 452 46 46 LEU CD1 C 23.676 0.3 2 453 46 46 LEU HD1 H 0.839 0.04 4 454 46 46 LEU CD2 C 24.592 0.3 2 455 46 46 LEU HD2 H 0.925 0.04 4 456 47 47 VAL N N 120.444 0.2 1 457 47 47 VAL H H 7.212 0.04 1 458 47 47 VAL CA C 66.399 0.3 1 459 47 47 VAL HA H 3.688 0.04 1 460 47 47 VAL CB C 31.361 0.3 1 461 47 47 VAL HB H 2.105 0.04 1 462 47 47 VAL CG2 C 21.803 0.3 2 463 47 47 VAL HG2 H 0.839 0.04 4 464 47 47 VAL CG1 C 20.865 0.3 2 465 47 47 VAL HG1 H 0.635 0.04 4 466 48 48 LYS N N 117.71 0.2 1 467 48 48 LYS H H 8.153 0.04 1 468 48 48 LYS CA C 60.68 0.3 1 469 48 48 LYS HA H 3.606 0.04 1 470 48 48 LYS CB C 32.363 0.3 1 471 48 48 LYS HB3 H 1.752 0.04 2 472 48 48 LYS CG C 26.564 0.3 1 473 48 48 LYS HG3 H 1.044 0.04 2 474 48 48 LYS HG2 H 1.57 0.04 2 475 48 48 LYS CD C 29.825 0.3 1 476 48 48 LYS HD3 H 1.571 0.04 2 477 48 48 LYS CE C 42.122 0.3 1 478 48 48 LYS HE3 H 2.837 0.04 2 479 48 48 LYS HE2 H 2.802 0.04 2 480 49 49 ARG N N 117.465 0.2 1 481 49 49 ARG H H 7.296 0.04 1 482 49 49 ARG CA C 58.705 0.3 1 483 49 49 ARG HA H 4.1 0.04 1 484 49 49 ARG CB C 30.281 0.3 1 485 49 49 ARG HB3 H 1.927 0.04 2 486 49 49 ARG CG C 27.244 0.3 1 487 49 49 ARG HG3 H 1.774 0.04 2 488 49 49 ARG HG2 H 1.655 0.04 2 489 49 49 ARG CD C 43.467 0.3 1 490 49 49 ARG HD3 H 3.19 0.04 2 491 50 50 GLU N N 118.005 0.2 1 492 50 50 GLU H H 7.951 0.04 1 493 50 50 GLU CA C 58.014 0.3 1 494 50 50 GLU HA H 4.055 0.04 1 495 50 50 GLU CB C 29.784 0.3 1 496 50 50 GLU HB3 H 2.02 0.04 2 497 50 50 GLU HB2 H 1.842 0.04 2 498 50 50 GLU CG C 36.301 0.3 1 499 50 50 GLU HG3 H 2.298 0.04 2 500 50 50 GLU HG2 H 2.025 0.04 9 501 51 51 HIS N N 116.705 0.2 1 502 51 51 HIS H H 7.482 0.04 1 503 51 51 HIS CA C 55.119 0.3 1 504 51 51 HIS HA H 4.505 0.04 1 505 51 51 HIS CB C 28.042 0.3 1 506 51 51 HIS HB3 H 3.131 0.04 2 507 51 51 HIS HB2 H 2.484 0.04 2 508 51 51 HIS CD2 C 125.2 0.3 1 509 51 51 HIS HD2 H 7.17 0.04 1 510 51 51 HIS HE1 H 8.205 0.04 1 511 52 52 ASP N N 119.009 0.2 1 512 52 52 ASP H H 7.372 0.04 1 513 52 52 ASP CA C 56.326 0.3 1 514 52 52 ASP HA H 4.228 0.04 1 515 52 52 ASP CB C 40.165 0.3 1 516 52 52 ASP HB3 H 2.86 0.04 2 517 52 52 ASP HB2 H 2.804 0.04 2 518 53 53 PHE N N 113.755 0.2 1 519 53 53 PHE H H 6.998 0.04 1 520 53 53 PHE CA C 55.848 0.3 1 521 53 53 PHE HA H 4.616 0.04 1 522 53 53 PHE CB C 38.272 0.3 1 523 53 53 PHE HB3 H 3.363 0.04 2 524 53 53 PHE HB2 H 3.069 0.04 2 525 53 53 PHE CD1 C 132.051 0.3 3 526 53 53 PHE HD1 H 7.275 0.04 3 527 53 53 PHE CE1 C 132.066 0.3 3 528 53 53 PHE HE1 H 7.575 0.04 3 529 53 53 PHE CZ C 130.753 0.3 1 530 53 53 PHE HZ H 7.546 0.04 1 531 54 54 LEU N N 123.74 0.2 1 532 54 54 LEU H H 7.301 0.04 1 533 54 54 LEU CA C 54.41 0.3 1 534 54 54 LEU HA H 4.414 0.04 1 535 54 54 LEU CB C 42.934 0.3 1 536 54 54 LEU HB3 H 1.879 0.04 2 537 54 54 LEU HB2 H 1.537 0.04 2 538 54 54 LEU CG C 26.614 0.3 1 539 54 54 LEU HG H 1.424 0.04 1 540 54 54 LEU CD1 C 22.768 0.3 2 541 54 54 LEU HD1 H 1.061 0.04 4 542 54 54 LEU CD2 C 25.746 0.3 2 543 54 54 LEU HD2 H 0.955 0.04 4 544 55 55 ASP N N 119.444 0.2 1 545 55 55 ASP H H 8.35 0.04 1 546 55 55 ASP CA C 53.436 0.3 1 547 55 55 ASP HA H 4.552 0.04 1 548 55 55 ASP CB C 41.644 0.3 1 549 55 55 ASP HB3 H 3.021 0.04 2 550 55 55 ASP HB2 H 2.792 0.04 2 551 56 56 ARG N N 119.45 0.2 1 552 56 56 ARG H H 8.52 0.04 1 553 56 56 ARG CA C 59.597 0.3 1 554 56 56 ARG HA H 3.945 0.04 1 555 56 56 ARG CB C 30.01 0.3 1 556 56 56 ARG HB3 H 1.908 0.04 2 557 56 56 ARG HB2 H 1.817 0.04 2 558 56 56 ARG CG C 26.6 0.3 1 559 56 56 ARG HG3 H 1.733 0.04 2 560 56 56 ARG HG2 H 1.604 0.04 2 561 56 56 ARG CD C 43.22 0.3 1 562 56 56 ARG HD3 H 3.18 0.04 2 563 57 57 ASP N N 118.282 0.2 1 564 57 57 ASP H H 8.426 0.04 1 565 57 57 ASP CA C 57.397 0.3 1 566 57 57 ASP HA H 4.384 0.04 1 567 57 57 ASP CB C 40.099 0.3 1 568 57 57 ASP HB3 H 2.684 0.04 2 569 57 57 ASP HB2 H 2.546 0.04 2 570 58 58 ALA N N 125.171 0.2 1 571 58 58 ALA H H 8.099 0.04 1 572 58 58 ALA CA C 55.013 0.3 1 573 58 58 ALA HA H 4.377 0.04 1 574 58 58 ALA CB C 19.324 0.3 1 575 58 58 ALA HB H 1.695 0.04 1 576 59 59 ILE N N 119.576 0.2 1 577 59 59 ILE H H 8.5 0.04 1 578 59 59 ILE CA C 62.822 0.3 1 579 59 59 ILE HA H 3.888 0.04 1 580 59 59 ILE CB C 37.519 0.3 1 581 59 59 ILE HB H 1.913 0.04 1 582 59 59 ILE CG1 C 29.523 0.3 2 583 59 59 ILE HG13 H 1.413 0.04 9 584 59 59 ILE HG12 H 1.222 0.04 9 585 59 59 ILE CD1 C 13.532 0.3 1 586 59 59 ILE HD1 H 0.807 0.04 1 587 59 59 ILE CG2 C 18.549 0.3 2 588 59 59 ILE HG2 H 0.956 0.04 4 589 60 60 GLU N N 122.717 0.2 1 590 60 60 GLU H H 8.143 0.04 1 591 60 60 GLU CA C 59.569 0.3 1 592 60 60 GLU HA H 3.91 0.04 1 593 60 60 GLU CB C 28.76 0.3 1 594 60 60 GLU HB3 H 2.08 0.04 2 595 60 60 GLU HB2 H 2.009 0.04 2 596 60 60 GLU CG C 36.294 0.3 1 597 60 60 GLU HG3 H 2.384 0.04 2 598 60 60 GLU HG2 H 2.275 0.04 2 599 61 61 ALA N N 122.169 0.2 1 600 61 61 ALA H H 7.912 0.04 1 601 61 61 ALA CA C 55.498 0.3 1 602 61 61 ALA HA H 3.723 0.04 1 603 61 61 ALA CB C 18.3 0.3 1 604 61 61 ALA HB H 1.58 0.04 1 605 62 62 LEU N N 118.571 0.2 1 606 62 62 LEU H H 7.634 0.04 1 607 62 62 LEU CA C 57.961 0.3 1 608 62 62 LEU HA H 4.06 0.04 1 609 62 62 LEU CB C 41.344 0.3 1 610 62 62 LEU HB3 H 1.802 0.04 2 611 62 62 LEU HB2 H 1.189 0.04 2 612 62 62 LEU CG C 26.704 0.3 1 613 62 62 LEU HG H 0.879 0.04 1 614 62 62 LEU CD1 C 21.901 0.3 2 615 62 62 LEU HD1 H 0.02 0.04 4 616 62 62 LEU CD2 C 24.412 0.3 2 617 62 62 LEU HD2 H -0.15 0.04 4 618 63 63 CYS N N 115.789 0.2 1 619 63 63 CYS H H 8.508 0.04 1 620 63 63 CYS CA C 64.978 0.3 1 621 63 63 CYS HA H 3.693 0.04 1 622 63 63 CYS CB C 26.227 0.3 1 623 63 63 CYS HB3 H 2.933 0.04 2 624 63 63 CYS HB2 H 2.631 0.04 2 625 64 64 ARG N N 119.978 0.2 1 626 64 64 ARG H H 7.975 0.04 1 627 64 64 ARG CA C 59.839 0.3 1 628 64 64 ARG HA H 3.971 0.04 1 629 64 64 ARG CB C 29.766 0.3 1 630 64 64 ARG HB3 H 1.645 0.04 2 631 64 64 ARG CG C 27.358 0.3 1 632 64 64 ARG HG3 H 1.782 0.04 2 633 64 64 ARG HG2 H 1.386 0.04 2 634 64 64 ARG CD C 43.673 0.3 1 635 64 64 ARG HD3 H 2.946 0.04 2 636 64 64 ARG HD2 H 3.028 0.04 2 637 65 65 ARG N N 120.079 0.2 1 638 65 65 ARG H H 6.688 0.04 1 639 65 65 ARG CA C 60.834 0.3 1 640 65 65 ARG HA H 4.1 0.04 1 641 65 65 ARG CB C 30.059 0.3 1 642 65 65 ARG HB3 H 1.71 0.04 2 643 65 65 ARG HB2 H 1.521 0.04 2 644 65 65 ARG CD C 43.238 0.3 1 645 65 65 ARG HD3 H 2.478 0.04 9 646 66 66 LEU N N 117.222 0.2 1 647 66 66 LEU H H 7.833 0.04 1 648 66 66 LEU CA C 57.836 0.3 1 649 66 66 LEU HA H 4.014 0.04 1 650 66 66 LEU CB C 40.815 0.3 1 651 66 66 LEU HB3 H 1.693 0.04 2 652 66 66 LEU HB2 H 1.156 0.04 2 653 66 66 LEU CG C 25.539 0.3 1 654 66 66 LEU HG H 1.693 0.04 1 655 66 66 LEU CD1 C 22.554 0.3 2 656 66 66 LEU HD1 H 0.663 0.04 4 657 66 66 LEU CD2 C 27.021 0.3 2 658 66 66 LEU HD2 H 0.362 0.04 4 659 67 67 ASN N N 118.308 0.2 1 660 67 67 ASN H H 8.765 0.04 1 661 67 67 ASN CA C 56.717 0.3 1 662 67 67 ASN HA H 4.42 0.04 1 663 67 67 ASN CB C 38.386 0.3 1 664 67 67 ASN HB3 H 2.828 0.04 2 665 67 67 ASN HB2 H 2.715 0.04 2 666 67 67 ASN ND2 N 113.5 0.2 1 667 67 67 ASN HD21 H 7.546 0.04 2 668 67 67 ASN HD22 H 6.906 0.04 2 669 68 68 THR N N 118.866 0.2 1 670 68 68 THR H H 7.727 0.04 1 671 68 68 THR CA C 67.259 0.3 1 672 68 68 THR HA H 3.81 0.04 1 673 68 68 THR CB C 68.703 0.3 1 674 68 68 THR HB H 4.233 0.04 1 675 68 68 THR CG2 C 21.797 0.3 1 676 68 68 THR HG2 H 1.008 0.04 1 677 69 69 LEU N N 121.286 0.2 1 678 69 69 LEU H H 7.695 0.04 1 679 69 69 LEU CA C 57.877 0.3 1 680 69 69 LEU HA H 3.605 0.04 1 681 69 69 LEU CB C 40.997 0.3 1 682 69 69 LEU HB3 H 1.704 0.04 2 683 69 69 LEU HB2 H 0.634 0.04 2 684 69 69 LEU CG C 26.198 0.3 1 685 69 69 LEU HG H 1.423 0.04 1 686 69 69 LEU CD1 C 20.815 0.3 2 687 69 69 LEU HD1 H -0.235 0.04 4 688 69 69 LEU CD2 C 26.198 0.3 2 689 69 69 LEU HD2 H 0.225 0.04 4 690 70 70 ASN N N 120.322 0.2 1 691 70 70 ASN H H 8.889 0.04 1 692 70 70 ASN CA C 56.35 0.3 1 693 70 70 ASN HA H 4.715 0.04 1 694 70 70 ASN CB C 37.173 0.3 1 695 70 70 ASN HB3 H 3.241 0.04 2 696 70 70 ASN HB2 H 2.899 0.04 2 697 70 70 ASN ND2 N 104.795 0.2 1 698 70 70 ASN HD21 H 7.734 0.04 2 699 70 70 ASN HD22 H 7.064 0.04 2 700 71 71 LYS N N 119.896 0.2 1 701 71 71 LYS H H 7.741 0.04 1 702 71 71 LYS CA C 59.259 0.3 1 703 71 71 LYS HA H 4.102 0.04 1 704 71 71 LYS CB C 31.911 0.3 1 705 71 71 LYS HB3 H 2.049 0.04 9 706 71 71 LYS HB2 H 1.994 0.04 9 707 71 71 LYS CG C 25.067 0.3 1 708 71 71 LYS HG3 H 1.387 0.04 2 709 71 71 LYS HG2 H 1.641 0.04 9 710 71 71 LYS CD C 29.229 0.3 1 711 71 71 LYS HD3 H 1.646 0.04 2 712 71 71 LYS CE C 42.014 0.3 1 713 71 71 LYS HE3 H 2.94 0.04 2 714 72 72 CYS N N 117.625 0.2 1 715 72 72 CYS H H 8.29 0.04 1 716 72 72 CYS CA C 63.146 0.3 1 717 72 72 CYS HA H 4.144 0.04 1 718 72 72 CYS CB C 27.416 0.3 1 719 72 72 CYS HB3 H 3.038 0.04 9 720 72 72 CYS HB2 H 3 0.04 9 721 73 73 ALA N N 119.991 0.2 1 722 73 73 ALA H H 8.443 0.04 1 723 73 73 ALA CA C 54.082 0.3 1 724 73 73 ALA HA H 4.284 0.04 1 725 73 73 ALA CB C 19.701 0.3 1 726 73 73 ALA HB H 1.557 0.04 1 727 74 74 VAL N N 110.534 0.2 1 728 74 74 VAL H H 7.264 0.04 1 729 74 74 VAL CA C 61.481 0.3 1 730 74 74 VAL HA H 4.358 0.04 1 731 74 74 VAL CB C 32.062 0.3 1 732 74 74 VAL HB H 2.359 0.04 1 733 74 74 VAL CG2 C 21.037 0.3 1 734 74 74 VAL HG2 H 0.988 0.04 2 735 74 74 VAL CG1 C 19.458 0.3 2 736 74 74 VAL HG1 H 1.026 0.04 2 737 75 75 MET N N 123.07 0.2 1 738 75 75 MET H H 7.674 0.04 1 739 75 75 MET CA C 56.001 0.3 1 740 75 75 MET HA H 4.443 0.04 1 741 75 75 MET CB C 32.121 0.3 1 742 75 75 MET HB3 H 2.154 0.04 9 743 75 75 MET HB2 H 2.091 0.04 9 744 75 75 MET CG C 32.121 0.3 1 745 75 75 MET HG3 H 2.721 0.04 2 746 75 75 MET HG2 H 2.536 0.04 2 747 75 75 MET HE H 1.492 0.04 1 748 76 76 LYS N N 127.836 0.2 1 749 76 76 LYS H H 7.855 0.04 1 750 76 76 LYS HA H 4.104 0.04 1 751 76 76 LYS HB3 H 1.755 0.04 2 752 76 76 LYS HB2 H 1.634 0.04 2 753 76 76 LYS HG3 H 1.306 0.04 2 754 76 76 LYS HD3 H 1.891 0.04 2 755 76 76 LYS HE2 H 2.881 0.04 2 stop_ save_