data_19033 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the SH3 domain of human RAS p21 protein activator (GTPase activating protein) 1 ; _BMRB_accession_number 19033 _BMRB_flat_file_name bmr19033.str _Entry_type original _Submission_date 2013-02-12 _Accession_date 2013-02-12 _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 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 368 "13C chemical shifts" 214 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-21 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19012 'hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)' 19034 'third RNA Recognition Motif (RRM) of U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2' stop_ _Original_release_date 2013-03-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the SH3 domain of human RAS p21 protein activator (GTPase activating protein) 1' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SH3 domain of human RAS GAP 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain of human RAS GAP 1' $RAS_GAP_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RAS_GAP_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RAS_GAP_1 _Molecular_mass 7268.292 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; GRRRVRAILPYTKVPDTDEI SFLKGDMFIVHNELEDGWMW VTNLRTDEQGLIVEDLVEEV GR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 ARG 3 3 ARG 4 4 ARG 5 5 VAL 6 6 ARG 7 7 ALA 8 8 ILE 9 9 LEU 10 10 PRO 11 11 TYR 12 12 THR 13 13 LYS 14 14 VAL 15 15 PRO 16 16 ASP 17 17 THR 18 18 ASP 19 19 GLU 20 20 ILE 21 21 SER 22 22 PHE 23 23 LEU 24 24 LYS 25 25 GLY 26 26 ASP 27 27 MET 28 28 PHE 29 29 ILE 30 30 VAL 31 31 HIS 32 32 ASN 33 33 GLU 34 34 LEU 35 35 GLU 36 36 ASP 37 37 GLY 38 38 TRP 39 39 MET 40 40 TRP 41 41 VAL 42 42 THR 43 43 ASN 44 44 LEU 45 45 ARG 46 46 THR 47 47 ASP 48 48 GLU 49 49 GLN 50 50 GLY 51 51 LEU 52 52 ILE 53 53 VAL 54 54 GLU 55 55 ASP 56 56 LEU 57 57 VAL 58 58 GLU 59 59 GLU 60 60 VAL 61 61 GLY 62 62 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-25 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 2GQI "Solution Structure Of The Sh3 Domain Of Human Ras Gtpase- Activating Protein 1" 93.55 71 100.00 100.00 3.24e-33 PDB 2M51 "Nmr Structure Of The Sh3 Domain Of Human Ras P21 Protein Activator (gtpase Activating Protein) 1" 100.00 62 100.00 100.00 7.33e-36 DBJ BAD92343 "RAS p21 protein activator 1 isoform 1 variant [Homo sapiens]" 98.39 871 100.00 100.00 7.65e-35 DBJ BAE21614 "unnamed protein product [Mus musculus]" 58.06 742 100.00 100.00 6.75e-16 DBJ BAG35610 "unnamed protein product [Homo sapiens]" 98.39 870 100.00 100.00 4.88e-34 DBJ BAG62024 "unnamed protein product [Homo sapiens]" 98.39 880 100.00 100.00 4.49e-34 DBJ BAG62030 "unnamed protein product [Homo sapiens]" 98.39 824 100.00 100.00 3.29e-34 EMBL CAA31122 "unnamed protein product [Bos taurus]" 98.39 1044 100.00 100.00 7.26e-35 EMBL CAH18488 "hypothetical protein [Homo sapiens]" 98.39 539 100.00 100.00 1.00e-35 EMBL CAH90505 "hypothetical protein [Pongo abelii]" 98.39 1047 100.00 100.00 9.31e-35 GB AAA16319 "GTPase-activating protein [Rattus norvegicus]" 98.39 1038 100.00 100.00 8.84e-35 GB AAA35865 "GTPase-activating protein [Homo sapiens]" 98.39 870 100.00 100.00 4.88e-34 GB AAA52517 "GTPase-activating protein [Homo sapiens]" 98.39 1047 100.00 100.00 1.07e-34 GB AAH13637 "RAS p21 protein activator 1 [Mus musculus]" 98.39 813 100.00 100.00 3.03e-34 GB AAH20761 "RASA1 protein [Homo sapiens]" 98.39 317 100.00 100.00 1.33e-33 PRF 1411306A "GTPase activating protein GAP" 98.39 1044 100.00 100.00 7.26e-35 PRF 1615347A "ras p21 GTPase activating protein" 98.39 1038 100.00 100.00 7.27e-35 PRF 1615347B "ras p21 GTPase activating protein" 98.39 1047 100.00 100.00 1.07e-34 REF NP_001125265 "ras GTPase-activating protein 1 [Pongo abelii]" 98.39 1047 100.00 100.00 9.31e-35 REF NP_002881 "ras GTPase-activating protein 1 isoform 1 [Homo sapiens]" 98.39 1047 100.00 100.00 1.07e-34 REF NP_037267 "ras GTPase-activating protein 1 [Rattus norvegicus]" 98.39 1038 100.00 100.00 8.84e-35 REF NP_072179 "ras GTPase-activating protein 1 isoform 2 [Homo sapiens]" 98.39 870 100.00 100.00 4.88e-34 REF NP_663427 "ras GTPase-activating protein 1 [Mus musculus]" 98.39 1038 100.00 100.00 7.20e-35 SP P09851 "RecName: Full=Ras GTPase-activating protein 1; Short=GAP; Short=GTPase-activating protein; Short=RasGAP; AltName: Full=Ras p21 " 98.39 1044 100.00 100.00 7.26e-35 SP P20936 "RecName: Full=Ras GTPase-activating protein 1; Short=GAP; Short=GTPase-activating protein; Short=RasGAP; AltName: Full=Ras p21 " 98.39 1047 100.00 100.00 1.07e-34 SP P50904 "RecName: Full=Ras GTPase-activating protein 1; Short=GAP; Short=GTPase-activating protein; Short=RasGAP; AltName: Full=Ras p21 " 98.39 1038 100.00 100.00 8.84e-35 TPG DAA27162 "TPA: ras GTPase-activating protein 1 [Bos taurus]" 98.39 1044 100.00 100.00 7.26e-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 _Details $RAS_GAP_1 Humans 9606 Eukaryota Metazoa Homo sapiens 'SH3 domain of human RAS p21 protein activator (GTPase activating protein) 1' 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 $RAS_GAP_1 'recombinant technology' . Escherichia coli Bl21 SpeedET 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 $RAS_GAP_1 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_j-UNIO _Saveframe_category software _Name j-UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_ save_4D-HACANH-APSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 4D-HACANH-APSY _Sample_label $sample_1 save_ save_5D-CBCACONH-APSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 5D-CBCACONH-APSY _Sample_label $sample_1 save_ save_5D-HACACONH-APSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 5D-HACACONH-APSY _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 0.798 . M pH 6.0 . pH pressure 1 . atm temperature 298 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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' 4D-HACANH-APSY 5D-CBCACONH-APSY 5D-HACACONH-APSY '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 'SH3 domain of human RAS GAP 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 3 3 ARG H H 8.600 0.003 1 2 3 3 ARG HA H 4.298 0.003 1 3 3 3 ARG HB2 H 1.718 0.003 2 4 3 3 ARG HB3 H 1.718 0.003 2 5 3 3 ARG HG2 H 1.379 0.003 2 6 3 3 ARG HG3 H 1.379 0.003 2 7 3 3 ARG HD2 H 3.089 0.003 2 8 3 3 ARG HD3 H 2.899 0.003 2 9 3 3 ARG HE H 7.871 0.003 1 10 3 3 ARG CA C 54.177 0.164 1 11 3 3 ARG CB C 29.313 0.164 1 12 3 3 ARG CG C 24.453 0.164 1 13 3 3 ARG CD C 41.474 0.164 1 14 3 3 ARG N N 123.172 0.121 1 15 3 3 ARG NE N 84.620 0.121 1 16 4 4 ARG H H 8.458 0.003 1 17 4 4 ARG HA H 5.445 0.003 1 18 4 4 ARG HB2 H 1.630 0.003 2 19 4 4 ARG HB3 H 1.630 0.003 2 20 4 4 ARG HG2 H 1.627 0.003 2 21 4 4 ARG HG3 H 1.491 0.003 2 22 4 4 ARG HD2 H 2.950 0.003 2 23 4 4 ARG HD3 H 3.067 0.003 2 24 4 4 ARG HE H 7.293 0.003 1 25 4 4 ARG CA C 51.948 0.164 1 26 4 4 ARG CB C 30.814 0.164 1 27 4 4 ARG CG C 25.237 0.164 1 28 4 4 ARG CD C 41.137 0.164 1 29 4 4 ARG N N 122.811 0.121 1 30 4 4 ARG NE N 84.552 0.121 1 31 5 5 VAL H H 8.173 0.003 1 32 5 5 VAL HA H 5.084 0.003 1 33 5 5 VAL HB H 1.831 0.003 1 34 5 5 VAL HG1 H 0.401 0.003 2 35 5 5 VAL HG2 H 0.557 0.003 2 36 5 5 VAL CA C 55.894 0.164 1 37 5 5 VAL CB C 33.614 0.164 1 38 5 5 VAL CG1 C 15.825 0.164 2 39 5 5 VAL CG2 C 19.612 0.164 2 40 5 5 VAL N N 112.133 0.121 1 41 6 6 ARG H H 9.102 0.003 1 42 6 6 ARG HA H 5.615 0.003 1 43 6 6 ARG HB2 H 1.623 0.003 2 44 6 6 ARG HB3 H 1.459 0.003 2 45 6 6 ARG HG2 H 1.358 0.003 2 46 6 6 ARG HG3 H 1.358 0.003 2 47 6 6 ARG HD2 H 3.168 0.003 2 48 6 6 ARG HD3 H 3.168 0.003 2 49 6 6 ARG HE H 7.258 0.003 1 50 6 6 ARG CA C 50.883 0.164 1 51 6 6 ARG CB C 32.664 0.164 1 52 6 6 ARG CG C 24.089 0.164 1 53 6 6 ARG CD C 41.324 0.164 1 54 6 6 ARG N N 120.981 0.121 1 55 6 6 ARG NE N 83.947 0.121 1 56 7 7 ALA H H 9.300 0.003 1 57 7 7 ALA HA H 4.825 0.003 1 58 7 7 ALA HB H 1.830 0.003 1 59 7 7 ALA CA C 50.010 0.164 1 60 7 7 ALA CB C 18.560 0.164 1 61 7 7 ALA N N 127.309 0.121 1 62 8 8 ILE H H 9.095 0.003 1 63 8 8 ILE HA H 4.293 0.003 1 64 8 8 ILE HB H 2.023 0.003 1 65 8 8 ILE HG12 H 1.168 0.003 2 66 8 8 ILE HG13 H 1.168 0.003 2 67 8 8 ILE HG2 H 0.793 0.003 1 68 8 8 ILE HD1 H 0.779 0.003 1 69 8 8 ILE CA C 59.073 0.164 1 70 8 8 ILE CB C 36.125 0.164 1 71 8 8 ILE CG1 C 23.796 0.164 1 72 8 8 ILE CG2 C 16.457 0.164 1 73 8 8 ILE CD1 C 11.821 0.164 1 74 8 8 ILE N N 119.944 0.121 1 75 9 9 LEU H H 7.738 0.003 1 76 9 9 LEU HA H 4.549 0.003 1 77 9 9 LEU HB2 H 1.765 0.003 2 78 9 9 LEU HB3 H 1.486 0.003 2 79 9 9 LEU HG H 1.672 0.003 1 80 9 9 LEU HD1 H 0.859 0.003 2 81 9 9 LEU HD2 H 1.052 0.003 2 82 9 9 LEU CA C 49.936 0.164 1 83 9 9 LEU CB C 44.882 0.164 1 84 9 9 LEU CG C 25.264 0.164 1 85 9 9 LEU CD1 C 23.035 0.164 2 86 9 9 LEU CD2 C 20.864 0.164 2 87 9 9 LEU N N 123.267 0.121 1 88 10 10 PRO HA H 4.534 0.003 1 89 10 10 PRO HB2 H 1.978 0.003 2 90 10 10 PRO HB3 H 2.320 0.003 2 91 10 10 PRO HG2 H 2.022 0.003 2 92 10 10 PRO HG3 H 1.933 0.003 2 93 10 10 PRO HD2 H 3.701 0.003 2 94 10 10 PRO HD3 H 3.482 0.003 2 95 10 10 PRO CA C 59.146 0.164 1 96 10 10 PRO CB C 30.365 0.164 1 97 10 10 PRO CG C 23.664 0.164 1 98 10 10 PRO CD C 46.719 0.164 1 99 11 11 TYR H H 7.754 0.003 1 100 11 11 TYR HA H 4.070 0.003 1 101 11 11 TYR HB2 H 2.214 0.003 2 102 11 11 TYR HB3 H 0.665 0.003 2 103 11 11 TYR HD1 H 6.791 0.003 3 104 11 11 TYR HD2 H 6.791 0.003 3 105 11 11 TYR HE1 H 6.782 0.003 3 106 11 11 TYR HE2 H 6.782 0.003 3 107 11 11 TYR CA C 56.303 0.164 1 108 11 11 TYR CB C 39.864 0.164 1 109 11 11 TYR CD2 C 129.928 0.164 3 110 11 11 TYR CE2 C 115.419 0.164 3 111 11 11 TYR N N 117.178 0.121 1 112 12 12 THR H H 7.149 0.003 1 113 12 12 THR HA H 4.224 0.003 1 114 12 12 THR HB H 3.485 0.003 1 115 12 12 THR HG2 H 0.998 0.003 1 116 12 12 THR CA C 57.833 0.164 1 117 12 12 THR CB C 66.962 0.164 1 118 12 12 THR CG2 C 18.634 0.164 1 119 12 12 THR N N 125.004 0.121 1 120 13 13 LYS H H 8.121 0.003 1 121 13 13 LYS HA H 4.148 0.003 1 122 13 13 LYS HB2 H 1.162 0.003 2 123 13 13 LYS HB3 H 1.674 0.003 2 124 13 13 LYS HG2 H 1.294 0.003 2 125 13 13 LYS HG3 H 0.560 0.003 2 126 13 13 LYS HD2 H 1.781 0.003 2 127 13 13 LYS HD3 H 1.506 0.003 2 128 13 13 LYS HE2 H 2.881 0.003 2 129 13 13 LYS HE3 H 2.846 0.003 2 130 13 13 LYS CA C 52.749 0.164 1 131 13 13 LYS CB C 30.350 0.164 1 132 13 13 LYS CG C 20.524 0.164 1 133 13 13 LYS CD C 26.480 0.164 1 134 13 13 LYS CE C 39.783 0.164 1 135 13 13 LYS N N 123.175 0.121 1 136 14 14 VAL H H 8.061 0.003 1 137 14 14 VAL HA H 4.048 0.003 1 138 14 14 VAL HB H 1.801 0.003 1 139 14 14 VAL HG1 H 0.923 0.003 2 140 14 14 VAL HG2 H 1.053 0.003 2 141 14 14 VAL CA C 58.059 0.164 1 142 14 14 VAL CB C 29.394 0.164 1 143 14 14 VAL CG1 C 17.990 0.164 2 144 14 14 VAL CG2 C 20.225 0.164 2 145 14 14 VAL N N 126.091 0.121 1 146 15 15 PRO HA H 4.120 0.003 1 147 15 15 PRO HB2 H 2.194 0.003 2 148 15 15 PRO HB3 H 1.756 0.003 2 149 15 15 PRO HG2 H 1.859 0.003 2 150 15 15 PRO HG3 H 1.969 0.003 2 151 15 15 PRO HD2 H 3.572 0.003 2 152 15 15 PRO HD3 H 3.853 0.003 2 153 15 15 PRO CA C 61.050 0.164 1 154 15 15 PRO CB C 29.695 0.164 1 155 15 15 PRO CG C 24.935 0.164 1 156 15 15 PRO CD C 48.767 0.164 1 157 16 16 ASP H H 8.808 0.003 1 158 16 16 ASP HA H 4.287 0.003 1 159 16 16 ASP HB2 H 2.839 0.003 2 160 16 16 ASP HB3 H 2.774 0.003 2 161 16 16 ASP CA C 53.189 0.164 1 162 16 16 ASP CB C 36.311 0.164 1 163 16 16 ASP N N 115.188 0.121 1 164 17 17 THR H H 7.264 0.003 1 165 17 17 THR HA H 4.704 0.003 1 166 17 17 THR HB H 4.273 0.003 1 167 17 17 THR HG2 H 1.021 0.003 1 168 17 17 THR CA C 58.069 0.164 1 169 17 17 THR CB C 70.764 0.164 1 170 17 17 THR CG2 C 18.419 0.164 1 171 17 17 THR N N 106.185 0.121 1 172 18 18 ASP H H 8.855 0.003 1 173 18 18 ASP HA H 4.963 0.003 1 174 18 18 ASP HB2 H 3.257 0.003 2 175 18 18 ASP HB3 H 2.582 0.003 2 176 18 18 ASP CA C 51.920 0.164 1 177 18 18 ASP CB C 38.059 0.164 1 178 18 18 ASP N N 117.426 0.121 1 179 19 19 GLU H H 7.603 0.003 1 180 19 19 GLU HA H 4.694 0.003 1 181 19 19 GLU HB2 H 2.535 0.003 2 182 19 19 GLU HB3 H 1.939 0.003 2 183 19 19 GLU HG2 H 2.311 0.003 2 184 19 19 GLU HG3 H 2.311 0.003 2 185 19 19 GLU CA C 54.515 0.164 1 186 19 19 GLU CB C 29.535 0.164 1 187 19 19 GLU CG C 33.581 0.164 1 188 19 19 GLU N N 119.666 0.121 1 189 20 20 ILE H H 6.909 0.003 1 190 20 20 ILE HA H 4.853 0.003 1 191 20 20 ILE HB H 2.071 0.003 1 192 20 20 ILE HG12 H 0.585 0.003 2 193 20 20 ILE HG13 H 1.458 0.003 2 194 20 20 ILE HG2 H 0.653 0.003 1 195 20 20 ILE HD1 H 0.722 0.003 1 196 20 20 ILE CA C 56.257 0.164 1 197 20 20 ILE CB C 38.401 0.164 1 198 20 20 ILE CG1 C 22.702 0.164 1 199 20 20 ILE CG2 C 16.145 0.164 1 200 20 20 ILE CD1 C 12.517 0.164 1 201 20 20 ILE N N 109.127 0.121 1 202 21 21 SER H H 8.738 0.003 1 203 21 21 SER HA H 4.796 0.003 1 204 21 21 SER HB2 H 3.764 0.003 2 205 21 21 SER HB3 H 4.121 0.003 2 206 21 21 SER CA C 54.907 0.164 1 207 21 21 SER CB C 61.426 0.164 1 208 21 21 SER N N 117.834 0.121 1 209 22 22 PHE H H 8.860 0.003 1 210 22 22 PHE HA H 4.665 0.003 1 211 22 22 PHE HB2 H 3.279 0.003 2 212 22 22 PHE HB3 H 3.585 0.003 2 213 22 22 PHE HD1 H 5.972 0.003 3 214 22 22 PHE HD2 H 5.972 0.003 3 215 22 22 PHE CA C 53.807 0.164 1 216 22 22 PHE CB C 38.324 0.164 1 217 22 22 PHE CD1 C 125.472 0.164 3 218 22 22 PHE N N 116.177 0.121 1 219 23 23 LEU H H 8.681 0.003 1 220 23 23 LEU HA H 4.611 0.003 1 221 23 23 LEU HB2 H 1.536 0.003 2 222 23 23 LEU HB3 H 1.423 0.003 2 223 23 23 LEU HG H 1.528 0.003 1 224 23 23 LEU HD1 H 0.800 0.003 2 225 23 23 LEU HD2 H 0.754 0.003 2 226 23 23 LEU CA C 49.953 0.164 1 227 23 23 LEU CB C 41.634 0.164 1 228 23 23 LEU CG C 24.496 0.164 1 229 23 23 LEU CD1 C 20.000 0.164 2 230 23 23 LEU CD2 C 22.343 0.164 2 231 23 23 LEU N N 121.283 0.121 1 232 24 24 LYS H H 8.076 0.003 1 233 24 24 LYS HA H 3.322 0.003 1 234 24 24 LYS HB2 H 1.269 0.003 2 235 24 24 LYS HB3 H 1.649 0.003 2 236 24 24 LYS HG2 H 1.151 0.003 2 237 24 24 LYS HG3 H 1.026 0.003 2 238 24 24 LYS HD2 H 1.660 0.003 2 239 24 24 LYS HD3 H 1.594 0.003 2 240 24 24 LYS HE2 H 2.946 0.003 2 241 24 24 LYS HE3 H 2.946 0.003 2 242 24 24 LYS CA C 56.428 0.164 1 243 24 24 LYS CB C 29.987 0.164 1 244 24 24 LYS CG C 22.669 0.164 1 245 24 24 LYS CD C 27.244 0.164 1 246 24 24 LYS CE C 39.474 0.164 1 247 24 24 LYS N N 119.660 0.121 1 248 25 25 GLY H H 8.569 0.003 1 249 25 25 GLY HA2 H 3.349 0.003 2 250 25 25 GLY HA3 H 4.391 0.003 2 251 25 25 GLY CA C 42.313 0.164 1 252 25 25 GLY N N 115.402 0.121 1 253 26 26 ASP H H 7.847 0.003 1 254 26 26 ASP HA H 4.307 0.003 1 255 26 26 ASP HB2 H 2.564 0.003 2 256 26 26 ASP HB3 H 1.939 0.003 2 257 26 26 ASP CA C 53.273 0.164 1 258 26 26 ASP CB C 37.932 0.164 1 259 26 26 ASP N N 122.287 0.121 1 260 27 27 MET H H 8.117 0.003 1 261 27 27 MET HA H 5.070 0.003 1 262 27 27 MET HB2 H 1.890 0.003 2 263 27 27 MET HB3 H 1.760 0.003 2 264 27 27 MET HG2 H 2.513 0.003 2 265 27 27 MET HG3 H 2.391 0.003 2 266 27 27 MET HE H 1.958 0.003 1 267 27 27 MET CA C 50.485 0.164 1 268 27 27 MET CB C 32.786 0.164 1 269 27 27 MET CG C 29.639 0.164 1 270 27 27 MET CE C 14.323 0.164 1 271 27 27 MET N N 119.570 0.121 1 272 28 28 PHE H H 8.909 0.003 1 273 28 28 PHE HA H 5.659 0.003 1 274 28 28 PHE HB2 H 2.332 0.003 2 275 28 28 PHE HB3 H 2.545 0.003 2 276 28 28 PHE HD1 H 6.639 0.003 3 277 28 28 PHE HD2 H 6.639 0.003 3 278 28 28 PHE HE1 H 6.586 0.003 3 279 28 28 PHE HE2 H 6.586 0.003 3 280 28 28 PHE HZ H 6.956 0.003 1 281 28 28 PHE CA C 52.237 0.164 1 282 28 28 PHE CB C 39.127 0.164 1 283 28 28 PHE CD1 C 129.253 0.164 3 284 28 28 PHE CE1 C 127.054 0.164 3 285 28 28 PHE CZ C 127.716 0.164 1 286 28 28 PHE N N 116.911 0.121 1 287 29 29 ILE H H 8.060 0.003 1 288 29 29 ILE HA H 4.554 0.003 1 289 29 29 ILE HB H 1.475 0.003 1 290 29 29 ILE HG12 H 1.487 0.003 2 291 29 29 ILE HG13 H 1.018 0.003 2 292 29 29 ILE HG2 H 0.660 0.003 1 293 29 29 ILE HD1 H 0.776 0.003 1 294 29 29 ILE CA C 56.548 0.164 1 295 29 29 ILE CB C 37.618 0.164 1 296 29 29 ILE CG1 C 24.982 0.164 1 297 29 29 ILE CG2 C 15.015 0.164 1 298 29 29 ILE CD1 C 10.556 0.164 1 299 29 29 ILE N N 118.126 0.121 1 300 30 30 VAL H H 8.331 0.003 1 301 30 30 VAL HA H 3.864 0.003 1 302 30 30 VAL HB H 1.962 0.003 1 303 30 30 VAL HG1 H 0.726 0.003 2 304 30 30 VAL HG2 H 0.640 0.003 2 305 30 30 VAL CA C 59.874 0.164 1 306 30 30 VAL CB C 29.863 0.164 1 307 30 30 VAL CG1 C 18.775 0.164 2 308 30 30 VAL CG2 C 19.468 0.164 2 309 30 30 VAL N N 125.411 0.121 1 310 31 31 HIS H H 9.289 0.003 1 311 31 31 HIS HA H 4.698 0.003 1 312 31 31 HIS HB2 H 3.167 0.003 1 313 31 31 HIS HB3 H 3.253 0.003 1 314 31 31 HIS HD1 H 7.872 0.003 1 315 31 31 HIS HD2 H 6.664 0.003 1 316 31 31 HIS HE1 H 7.824 0.003 1 317 31 31 HIS CA C 54.672 0.164 1 318 31 31 HIS CB C 28.040 0.164 1 319 31 31 HIS CD2 C 119.431 0.164 1 320 31 31 HIS CE1 C 135.581 0.164 1 321 31 31 HIS N N 127.208 0.121 1 322 31 31 HIS ND1 N 177.279 0.121 1 323 32 32 ASN H H 7.866 0.003 1 324 32 32 ASN HA H 4.950 0.003 1 325 32 32 ASN HB2 H 2.597 0.003 2 326 32 32 ASN HB3 H 2.729 0.003 2 327 32 32 ASN HD21 H 6.669 0.003 1 328 32 32 ASN HD22 H 7.366 0.003 1 329 32 32 ASN CA C 50.672 0.164 1 330 32 32 ASN CB C 39.290 0.164 1 331 32 32 ASN N N 112.446 0.121 1 332 32 32 ASN ND2 N 111.930 0.121 1 333 33 33 GLU H H 8.723 0.003 1 334 33 33 GLU HA H 4.405 0.003 1 335 33 33 GLU HB2 H 2.097 0.003 2 336 33 33 GLU HB3 H 1.892 0.003 2 337 33 33 GLU HG2 H 2.104 0.003 2 338 33 33 GLU HG3 H 2.104 0.003 2 339 33 33 GLU CA C 54.104 0.164 1 340 33 33 GLU CB C 27.678 0.164 1 341 33 33 GLU CG C 33.776 0.164 1 342 33 33 GLU N N 123.553 0.121 1 343 34 34 LEU H H 8.488 0.003 1 344 34 34 LEU HA H 4.650 0.003 1 345 34 34 LEU HB2 H 1.682 0.003 2 346 34 34 LEU HB3 H 1.780 0.003 2 347 34 34 LEU HG H 1.520 0.003 1 348 34 34 LEU HD1 H 0.812 0.003 2 349 34 34 LEU HD2 H 0.894 0.003 2 350 34 34 LEU CA C 51.344 0.164 1 351 34 34 LEU CB C 39.813 0.164 1 352 34 34 LEU CG C 25.661 0.164 1 353 34 34 LEU CD1 C 21.358 0.164 2 354 34 34 LEU CD2 C 23.632 0.164 2 355 34 34 LEU N N 125.739 0.121 1 356 35 35 GLU H H 8.174 0.003 1 357 35 35 GLU HA H 4.289 0.003 1 358 35 35 GLU HB2 H 1.952 0.003 2 359 35 35 GLU HB3 H 2.036 0.003 2 360 35 35 GLU HG2 H 2.284 0.003 2 361 35 35 GLU CA C 54.432 0.164 1 362 35 35 GLU CB C 27.756 0.164 1 363 35 35 GLU CG C 33.812 0.164 1 364 35 35 GLU N N 117.915 0.121 1 365 36 36 ASP H H 8.755 0.003 1 366 36 36 ASP HA H 4.363 0.003 1 367 36 36 ASP HB2 H 2.972 0.003 2 368 36 36 ASP HB3 H 2.906 0.003 2 369 36 36 ASP CA C 52.392 0.164 1 370 36 36 ASP CB C 37.268 0.164 1 371 36 36 ASP N N 116.640 0.121 1 372 37 37 GLY H H 8.235 0.003 1 373 37 37 GLY HA2 H 3.955 0.003 2 374 37 37 GLY HA3 H 3.524 0.003 2 375 37 37 GLY CA C 43.066 0.164 1 376 37 37 GLY N N 104.775 0.121 1 377 38 38 TRP H H 7.331 0.003 1 378 38 38 TRP HA H 4.952 0.003 1 379 38 38 TRP HB2 H 3.169 0.003 2 380 38 38 TRP HB3 H 3.067 0.003 2 381 38 38 TRP HD1 H 7.245 0.003 1 382 38 38 TRP HE1 H 10.108 0.003 1 383 38 38 TRP HE3 H 7.281 0.003 1 384 38 38 TRP HZ2 H 7.343 0.003 1 385 38 38 TRP HZ3 H 6.662 0.003 1 386 38 38 TRP HH2 H 7.083 0.003 1 387 38 38 TRP CA C 54.689 0.164 1 388 38 38 TRP CB C 28.348 0.164 1 389 38 38 TRP CD1 C 125.394 0.164 1 390 38 38 TRP CE3 C 117.837 0.164 1 391 38 38 TRP CZ2 C 111.548 0.164 1 392 38 38 TRP CZ3 C 118.542 0.164 1 393 38 38 TRP CH2 C 122.284 0.164 1 394 38 38 TRP N N 119.789 0.121 1 395 38 38 TRP NE1 N 129.306 0.121 1 396 39 39 MET H H 9.330 0.003 1 397 39 39 MET HA H 4.941 0.003 1 398 39 39 MET HB2 H 1.590 0.003 2 399 39 39 MET HB3 H 1.859 0.003 2 400 39 39 MET HG2 H 2.233 0.003 2 401 39 39 MET HG3 H 2.198 0.003 2 402 39 39 MET HE H 1.563 0.003 1 403 39 39 MET CA C 52.194 0.164 1 404 39 39 MET CB C 35.101 0.164 1 405 39 39 MET CG C 29.529 0.164 1 406 39 39 MET CE C 14.882 0.164 1 407 39 39 MET N N 118.460 0.121 1 408 40 40 TRP H H 8.777 0.003 1 409 40 40 TRP HA H 5.068 0.003 1 410 40 40 TRP HB2 H 3.351 0.003 1 411 40 40 TRP HB3 H 3.008 0.003 1 412 40 40 TRP HD1 H 6.765 0.003 1 413 40 40 TRP HE1 H 10.215 0.003 1 414 40 40 TRP HE3 H 7.413 0.003 1 415 40 40 TRP HZ2 H 7.296 0.003 1 416 40 40 TRP HZ3 H 6.985 0.003 1 417 40 40 TRP HH2 H 7.152 0.003 1 418 40 40 TRP CA C 54.321 0.164 1 419 40 40 TRP CB C 27.857 0.164 1 420 40 40 TRP CD1 C 123.567 0.164 1 421 40 40 TRP CE3 C 117.348 0.164 1 422 40 40 TRP CZ2 C 111.688 0.164 1 423 40 40 TRP CZ3 C 118.879 0.164 1 424 40 40 TRP CH2 C 121.867 0.164 1 425 40 40 TRP N N 123.201 0.121 1 426 40 40 TRP NE1 N 129.207 0.121 1 427 41 41 VAL H H 8.755 0.003 1 428 41 41 VAL HA H 5.447 0.003 1 429 41 41 VAL HB H 2.054 0.003 1 430 41 41 VAL HG1 H 0.482 0.003 2 431 41 41 VAL HG2 H 0.531 0.003 2 432 41 41 VAL CA C 56.711 0.164 1 433 41 41 VAL CB C 34.428 0.164 1 434 41 41 VAL CG1 C 17.176 0.164 2 435 41 41 VAL CG2 C 19.304 0.164 2 436 41 41 VAL N N 120.754 0.121 1 437 42 42 THR H H 8.142 0.003 1 438 42 42 THR HA H 4.999 0.003 1 439 42 42 THR HB H 3.865 0.003 1 440 42 42 THR HG2 H 1.003 0.003 1 441 42 42 THR CA C 59.763 0.164 1 442 42 42 THR CB C 68.696 0.164 1 443 42 42 THR CG2 C 18.970 0.164 1 444 42 42 THR N N 112.967 0.121 1 445 43 43 ASN H H 8.848 0.003 1 446 43 43 ASN HA H 4.409 0.003 1 447 43 43 ASN HB2 H 2.361 0.003 2 448 43 43 ASN HB3 H 3.361 0.003 2 449 43 43 ASN HD21 H 6.356 0.003 1 450 43 43 ASN HD22 H 7.352 0.003 1 451 43 43 ASN CA C 50.340 0.164 1 452 43 43 ASN CB C 36.786 0.164 1 453 43 43 ASN N N 124.680 0.121 1 454 43 43 ASN ND2 N 109.898 0.121 1 455 44 44 LEU H H 8.841 0.003 1 456 44 44 LEU HA H 4.049 0.003 1 457 44 44 LEU HB2 H 1.483 0.003 2 458 44 44 LEU HB3 H 1.343 0.003 2 459 44 44 LEU HG H 1.443 0.003 1 460 44 44 LEU HD1 H 0.747 0.003 2 461 44 44 LEU HD2 H 1.001 0.003 2 462 44 44 LEU CA C 54.255 0.164 1 463 44 44 LEU CB C 38.647 0.164 1 464 44 44 LEU CG C 24.744 0.164 1 465 44 44 LEU CD1 C 19.524 0.164 2 466 44 44 LEU CD2 C 18.875 0.164 2 467 44 44 LEU N N 126.753 0.121 1 468 45 45 ARG H H 8.452 0.003 1 469 45 45 ARG HA H 4.155 0.003 1 470 45 45 ARG HB2 H 1.670 0.003 2 471 45 45 ARG HB3 H 1.807 0.003 2 472 45 45 ARG HG2 H 1.375 0.003 2 473 45 45 ARG HG3 H 1.375 0.003 2 474 45 45 ARG HD2 H 2.911 0.003 2 475 45 45 ARG HD3 H 3.366 0.003 2 476 45 45 ARG HE H 9.500 0.003 1 477 45 45 ARG CA C 56.319 0.164 1 478 45 45 ARG CB C 27.552 0.164 1 479 45 45 ARG CG C 24.535 0.164 1 480 45 45 ARG CD C 39.390 0.164 1 481 45 45 ARG N N 119.154 0.121 1 482 45 45 ARG NE N 82.243 0.121 1 483 46 46 THR H H 6.842 0.003 1 484 46 46 THR HA H 4.180 0.003 1 485 46 46 THR HB H 4.298 0.003 1 486 46 46 THR HG2 H 1.046 0.003 1 487 46 46 THR CA C 58.368 0.164 1 488 46 46 THR CB C 67.991 0.164 1 489 46 46 THR CG2 C 19.119 0.164 1 490 46 46 THR N N 105.128 0.121 1 491 47 47 ASP H H 8.650 0.003 1 492 47 47 ASP HA H 4.273 0.003 1 493 47 47 ASP HB2 H 2.607 0.003 2 494 47 47 ASP HB3 H 2.972 0.003 2 495 47 47 ASP CA C 53.593 0.164 1 496 47 47 ASP CB C 37.748 0.164 1 497 47 47 ASP N N 120.147 0.121 1 498 48 48 GLU H H 7.454 0.003 1 499 48 48 GLU HA H 4.294 0.003 1 500 48 48 GLU HB2 H 1.857 0.003 2 501 48 48 GLU HB3 H 1.938 0.003 2 502 48 48 GLU HG2 H 2.197 0.003 2 503 48 48 GLU HG3 H 2.270 0.003 2 504 48 48 GLU CA C 53.743 0.164 1 505 48 48 GLU CB C 29.503 0.164 1 506 48 48 GLU CG C 34.649 0.164 1 507 48 48 GLU N N 117.574 0.121 1 508 49 49 GLN H H 8.314 0.003 1 509 49 49 GLN HA H 5.649 0.003 1 510 49 49 GLN HB2 H 1.877 0.003 2 511 49 49 GLN HB3 H 1.957 0.003 2 512 49 49 GLN HG2 H 2.480 0.003 2 513 49 49 GLN HG3 H 2.362 0.003 2 514 49 49 GLN HE21 H 6.658 0.003 1 515 49 49 GLN HE22 H 7.247 0.003 1 516 49 49 GLN CA C 50.614 0.164 1 517 49 49 GLN CB C 29.447 0.164 1 518 49 49 GLN CG C 31.724 0.164 1 519 49 49 GLN N N 119.154 0.121 1 520 49 49 GLN NE2 N 111.613 0.121 1 521 50 50 GLY H H 7.795 0.003 1 522 50 50 GLY HA2 H 3.700 0.003 2 523 50 50 GLY HA3 H 2.154 0.003 2 524 50 50 GLY CA C 42.255 0.164 1 525 50 50 GLY N N 108.506 0.121 1 526 51 51 LEU H H 7.748 0.003 1 527 51 51 LEU HA H 5.378 0.003 1 528 51 51 LEU HB2 H 1.343 0.003 2 529 51 51 LEU HB3 H 1.721 0.003 2 530 51 51 LEU HG H 1.674 0.003 1 531 51 51 LEU HD1 H 0.643 0.003 2 532 51 51 LEU HD2 H 0.946 0.003 2 533 51 51 LEU CA C 51.274 0.164 1 534 51 51 LEU CB C 43.574 0.164 1 535 51 51 LEU CG C 24.275 0.164 1 536 51 51 LEU CD1 C 23.742 0.164 2 537 51 51 LEU CD2 C 22.204 0.164 2 538 51 51 LEU N N 119.484 0.121 1 539 52 52 ILE H H 8.802 0.003 1 540 52 52 ILE HA H 4.645 0.003 1 541 52 52 ILE HB H 1.302 0.003 1 542 52 52 ILE HG12 H 0.644 0.003 2 543 52 52 ILE HG13 H 0.366 0.003 2 544 52 52 ILE HG2 H 0.432 0.003 1 545 52 52 ILE HD1 H -0.827 0.003 1 546 52 52 ILE CA C 57.340 0.164 1 547 52 52 ILE CB C 39.906 0.164 1 548 52 52 ILE CG1 C 22.088 0.164 1 549 52 52 ILE CG2 C 15.815 0.164 1 550 52 52 ILE CD1 C 11.817 0.164 1 551 52 52 ILE N N 114.127 0.121 1 552 53 53 VAL H H 7.495 0.003 1 553 53 53 VAL HA H 4.018 0.003 1 554 53 53 VAL HB H 0.231 0.003 1 555 53 53 VAL HG1 H 0.013 0.003 2 556 53 53 VAL HG2 H 0.058 0.003 2 557 53 53 VAL CA C 56.467 0.164 1 558 53 53 VAL CB C 30.327 0.164 1 559 53 53 VAL CG1 C 18.468 0.164 2 560 53 53 VAL CG2 C 17.419 0.164 2 561 53 53 VAL N N 120.370 0.121 1 562 54 54 GLU H H 8.104 0.003 1 563 54 54 GLU HA H 3.590 0.003 1 564 54 54 GLU HB2 H 1.849 0.003 2 565 54 54 GLU HB3 H 1.801 0.003 2 566 54 54 GLU HG2 H 2.220 0.003 2 567 54 54 GLU HG3 H 1.999 0.003 2 568 54 54 GLU CA C 55.564 0.164 1 569 54 54 GLU CB C 26.426 0.164 1 570 54 54 GLU CG C 32.226 0.164 1 571 54 54 GLU N N 122.759 0.121 1 572 55 55 ASP H H 7.394 0.003 1 573 55 55 ASP HA H 4.204 0.003 1 574 55 55 ASP HB2 H 2.524 0.003 2 575 55 55 ASP HB3 H 2.126 0.003 2 576 55 55 ASP CA C 53.286 0.164 1 577 55 55 ASP CB C 38.115 0.164 1 578 55 55 ASP N N 114.708 0.121 1 579 56 56 LEU H H 7.121 0.003 1 580 56 56 LEU HA H 4.398 0.003 1 581 56 56 LEU HB2 H 2.106 0.003 2 582 56 56 LEU HB3 H 1.579 0.003 2 583 56 56 LEU HG H 1.303 0.003 1 584 56 56 LEU HD1 H 0.681 0.003 2 585 56 56 LEU HD2 H 0.741 0.003 2 586 56 56 LEU CA C 51.899 0.164 1 587 56 56 LEU CB C 39.564 0.164 1 588 56 56 LEU CG C 25.453 0.164 1 589 56 56 LEU CD1 C 23.639 0.164 2 590 56 56 LEU CD2 C 21.171 0.164 2 591 56 56 LEU N N 116.100 0.121 1 592 57 57 VAL H H 7.438 0.003 1 593 57 57 VAL HA H 5.381 0.003 1 594 57 57 VAL HB H 1.711 0.003 1 595 57 57 VAL HG1 H 0.478 0.003 2 596 57 57 VAL HG2 H 0.169 0.003 2 597 57 57 VAL CA C 55.560 0.164 1 598 57 57 VAL CB C 33.744 0.164 1 599 57 57 VAL CG1 C 15.103 0.164 2 600 57 57 VAL CG2 C 18.520 0.164 2 601 57 57 VAL N N 109.850 0.121 1 602 58 58 GLU H H 8.886 0.003 1 603 58 58 GLU HA H 4.835 0.003 1 604 58 58 GLU HB2 H 1.963 0.003 2 605 58 58 GLU HB3 H 1.752 0.003 2 606 58 58 GLU HG2 H 1.982 0.003 2 607 58 58 GLU HG3 H 2.252 0.003 2 608 58 58 GLU CA C 50.156 0.164 1 609 58 58 GLU CB C 30.354 0.164 1 610 58 58 GLU CG C 32.080 0.164 1 611 58 58 GLU N N 116.558 0.121 1 612 59 59 GLU H H 8.659 0.003 1 613 59 59 GLU HA H 4.229 0.003 1 614 59 59 GLU HB2 H 1.950 0.003 2 615 59 59 GLU HB3 H 1.853 0.003 2 616 59 59 GLU HG2 H 2.200 0.003 2 617 59 59 GLU HG3 H 2.259 0.003 2 618 59 59 GLU CA C 54.417 0.164 1 619 59 59 GLU CB C 27.517 0.164 1 620 59 59 GLU CG C 33.530 0.164 1 621 59 59 GLU N N 121.900 0.121 1 622 60 60 VAL H H 8.069 0.003 1 623 60 60 VAL HA H 4.087 0.003 1 624 60 60 VAL HB H 1.825 0.003 1 625 60 60 VAL HG1 H 0.714 0.003 2 626 60 60 VAL HG2 H 0.800 0.003 2 627 60 60 VAL CA C 59.466 0.164 1 628 60 60 VAL CB C 30.306 0.164 1 629 60 60 VAL CG1 C 19.041 0.164 2 630 60 60 VAL CG2 C 18.623 0.164 2 631 60 60 VAL N N 122.505 0.121 1 632 61 61 GLY H H 8.383 0.003 1 633 61 61 GLY HA2 H 3.959 0.003 2 634 61 61 GLY HA3 H 3.881 0.003 2 635 61 61 GLY CA C 42.709 0.164 1 636 61 61 GLY N N 112.799 0.121 1 637 62 62 ARG H H 7.848 0.003 1 638 62 62 ARG HA H 4.111 0.003 1 639 62 62 ARG HB2 H 1.762 0.003 2 640 62 62 ARG HB3 H 1.613 0.003 2 641 62 62 ARG HG2 H 1.498 0.003 2 642 62 62 ARG HG3 H 1.498 0.003 2 643 62 62 ARG HD2 H 3.088 0.003 2 644 62 62 ARG HD3 H 3.088 0.003 2 645 62 62 ARG HE H 6.892 0.003 1 646 62 62 ARG CA C 54.805 0.164 1 647 62 62 ARG CB C 28.899 0.164 1 648 62 62 ARG CG C 24.620 0.164 1 649 62 62 ARG CD C 41.015 0.164 1 650 62 62 ARG N N 125.359 0.121 1 651 62 62 ARG NE N 72.344 0.121 1 stop_ save_