data_11404 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of SH3 domain in Rho-GTPase-activating protein 4 ; _BMRB_accession_number 11404 _BMRB_flat_file_name bmr11404.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tanabe W. . . 2 Tsuda K. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 388 "13C chemical shifts" 301 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of SH3 domain in Rho-GTPase-activating protein 4' _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 Tanabe W. . . 2 Tsuda K. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rho GTPase-activating protein 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSSGSSGEGVVEAVACFAYT GRTAQELSFRRGDVLRLHER ASSDWWRGEHNGMRGLIPHK YITLPAGTEKQVVGAG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 GLY 10 VAL 11 VAL 12 GLU 13 ALA 14 VAL 15 ALA 16 CYS 17 PHE 18 ALA 19 TYR 20 THR 21 GLY 22 ARG 23 THR 24 ALA 25 GLN 26 GLU 27 LEU 28 SER 29 PHE 30 ARG 31 ARG 32 GLY 33 ASP 34 VAL 35 LEU 36 ARG 37 LEU 38 HIS 39 GLU 40 ARG 41 ALA 42 SER 43 SER 44 ASP 45 TRP 46 TRP 47 ARG 48 GLY 49 GLU 50 HIS 51 ASN 52 GLY 53 MET 54 ARG 55 GLY 56 LEU 57 ILE 58 PRO 59 HIS 60 LYS 61 TYR 62 ILE 63 THR 64 LEU 65 PRO 66 ALA 67 GLY 68 THR 69 GLU 70 LYS 71 GLN 72 VAL 73 VAL 74 GLY 75 ALA 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2EPD "Solution Structure Of Sh3 Domain In Rho-Gtpase-Activating Protein 4" 100.00 76 100.00 100.00 4.58e-47 DBJ BAA09480 "KIAA0131 [Homo sapiens]" 90.79 942 100.00 100.00 1.11e-39 DBJ BAG10298 "Rho GTPase-activating protein 4 [synthetic construct]" 90.79 946 100.00 100.00 1.21e-39 DBJ BAH11812 "unnamed protein product [Homo sapiens]" 90.79 923 98.55 98.55 2.40e-38 EMBL CAA55394 "p115 [Homo sapiens]" 90.79 946 100.00 100.00 1.15e-39 EMBL CAA92213 "C1 [Homo sapiens]" 90.79 946 100.00 100.00 1.21e-39 EMBL CAL37504 "hypothetical protein [synthetic construct]" 90.79 986 100.00 100.00 2.24e-39 EMBL CAL38100 "hypothetical protein [synthetic construct]" 90.79 986 100.00 100.00 2.24e-39 GB AAH23626 "ARHGAP4 protein, partial [Homo sapiens]" 90.79 356 100.00 100.00 1.78e-41 GB AAH52303 "ARHGAP4 protein [Homo sapiens]" 90.79 986 100.00 100.00 2.24e-39 GB EAW72777 "Rho GTPase activating protein 4, isoform CRA_a [Homo sapiens]" 90.79 940 100.00 100.00 1.15e-39 GB EAW72778 "Rho GTPase activating protein 4, isoform CRA_b [Homo sapiens]" 90.79 986 100.00 100.00 2.24e-39 GB EAW72782 "Rho GTPase activating protein 4, isoform CRA_f [Homo sapiens]" 90.79 946 100.00 100.00 1.21e-39 REF NP_001158213 "rho GTPase-activating protein 4 isoform 1 [Homo sapiens]" 90.79 986 100.00 100.00 2.24e-39 REF NP_001657 "rho GTPase-activating protein 4 isoform 2 [Homo sapiens]" 90.79 946 100.00 100.00 1.21e-39 REF XP_003317821 "PREDICTED: rho GTPase-activating protein 4 isoform X1 [Pan troglodytes]" 90.79 946 100.00 100.00 1.25e-39 REF XP_003317822 "PREDICTED: rho GTPase-activating protein 4 isoform X5 [Pan troglodytes]" 90.79 986 100.00 100.00 2.26e-39 REF XP_003804875 "PREDICTED: rho GTPase-activating protein 4 isoform X1 [Pan paniscus]" 90.79 946 100.00 100.00 1.25e-39 SP P98171 "RecName: Full=Rho GTPase-activating protein 4; AltName: Full=Rho-GAP hematopoietic protein C1; AltName: Full=Rho-type GTPase-ac" 90.79 946 100.00 100.00 1.21e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P060130-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.14mM 13C-15N PROTEIN, 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 0.05mM ZnCl2, 1mM {IDA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 loop_ _Vendor _Address _Electronic_address 'Delaglio F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SH3 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.960 0.030 1 2 7 7 GLY HA3 H 3.960 0.030 1 3 7 7 GLY C C 174.223 0.300 1 4 7 7 GLY CA C 45.510 0.300 1 5 8 8 GLU H H 8.321 0.030 1 6 8 8 GLU HA H 4.322 0.030 1 7 8 8 GLU HB2 H 2.055 0.030 2 8 8 8 GLU HB3 H 1.978 0.030 2 9 8 8 GLU HG2 H 2.342 0.030 1 10 8 8 GLU HG3 H 2.342 0.030 1 11 8 8 GLU C C 174.279 0.300 1 12 8 8 GLU CA C 55.843 0.300 1 13 8 8 GLU CB C 29.656 0.300 1 14 8 8 GLU CG C 33.854 0.300 1 15 8 8 GLU N N 120.618 0.300 1 16 9 9 GLY H H 8.553 0.030 1 17 9 9 GLY HA2 H 3.964 0.030 1 18 9 9 GLY HA3 H 3.964 0.030 1 19 9 9 GLY C C 173.647 0.300 1 20 9 9 GLY CA C 44.957 0.300 1 21 9 9 GLY N N 110.310 0.300 1 22 10 10 VAL H H 7.819 0.030 1 23 10 10 VAL HA H 4.332 0.030 1 24 10 10 VAL HB H 1.902 0.030 1 25 10 10 VAL HG1 H 0.719 0.030 1 26 10 10 VAL HG2 H 0.767 0.030 1 27 10 10 VAL C C 175.757 0.300 1 28 10 10 VAL CA C 61.977 0.300 1 29 10 10 VAL CB C 33.365 0.300 1 30 10 10 VAL CG1 C 21.358 0.300 2 31 10 10 VAL CG2 C 20.858 0.300 2 32 10 10 VAL N N 119.807 0.300 1 33 11 11 VAL H H 8.217 0.030 1 34 11 11 VAL HA H 4.184 0.030 1 35 11 11 VAL HB H 1.852 0.030 1 36 11 11 VAL HG1 H 0.905 0.030 1 37 11 11 VAL HG2 H 0.731 0.030 1 38 11 11 VAL C C 174.536 0.300 1 39 11 11 VAL CA C 61.442 0.300 1 40 11 11 VAL CB C 34.385 0.300 1 41 11 11 VAL CG1 C 20.645 0.300 2 42 11 11 VAL CG2 C 21.560 0.300 2 43 11 11 VAL N N 126.163 0.300 1 44 12 12 GLU H H 8.407 0.030 1 45 12 12 GLU HA H 4.849 0.030 1 46 12 12 GLU HB2 H 1.724 0.030 2 47 12 12 GLU HB3 H 1.816 0.030 2 48 12 12 GLU HG2 H 2.178 0.030 2 49 12 12 GLU HG3 H 1.899 0.030 2 50 12 12 GLU C C 174.671 0.300 1 51 12 12 GLU CA C 55.399 0.300 1 52 12 12 GLU CB C 31.025 0.300 1 53 12 12 GLU CG C 37.533 0.300 1 54 12 12 GLU N N 125.893 0.300 1 55 13 13 ALA H H 8.777 0.030 1 56 13 13 ALA HA H 4.663 0.030 1 57 13 13 ALA HB H 0.949 0.030 1 58 13 13 ALA C C 174.739 0.300 1 59 13 13 ALA CA C 49.835 0.300 1 60 13 13 ALA CB C 23.783 0.300 1 61 13 13 ALA N N 125.757 0.300 1 62 14 14 VAL H H 7.780 0.030 1 63 14 14 VAL HA H 4.691 0.030 1 64 14 14 VAL HB H 1.676 0.030 1 65 14 14 VAL HG1 H 0.814 0.030 1 66 14 14 VAL HG2 H 0.970 0.030 1 67 14 14 VAL C C 176.140 0.300 1 68 14 14 VAL CA C 60.326 0.300 1 69 14 14 VAL CB C 34.496 0.300 1 70 14 14 VAL CG1 C 21.927 0.300 2 71 14 14 VAL CG2 C 21.936 0.300 2 72 14 14 VAL N N 118.116 0.300 1 73 15 15 ALA H H 8.853 0.030 1 74 15 15 ALA HA H 4.599 0.030 1 75 15 15 ALA HB H 1.575 0.030 1 76 15 15 ALA C C 178.797 0.300 1 77 15 15 ALA CA C 52.485 0.300 1 78 15 15 ALA CB C 20.606 0.300 1 79 15 15 ALA N N 128.575 0.300 1 80 16 16 CYS H H 9.214 0.030 1 81 16 16 CYS HA H 4.433 0.030 1 82 16 16 CYS HB2 H 2.689 0.030 2 83 16 16 CYS HB3 H 2.542 0.030 2 84 16 16 CYS C C 172.827 0.300 1 85 16 16 CYS CA C 57.703 0.300 1 86 16 16 CYS CB C 27.895 0.300 1 87 16 16 CYS N N 124.901 0.300 1 88 17 17 PHE H H 7.771 0.030 1 89 17 17 PHE HA H 4.817 0.030 1 90 17 17 PHE HB2 H 2.750 0.030 2 91 17 17 PHE HB3 H 3.278 0.030 2 92 17 17 PHE HD1 H 7.154 0.030 1 93 17 17 PHE HD2 H 7.154 0.030 1 94 17 17 PHE HE1 H 7.276 0.030 1 95 17 17 PHE HE2 H 7.276 0.030 1 96 17 17 PHE HZ H 7.250 0.030 1 97 17 17 PHE C C 173.059 0.300 1 98 17 17 PHE CA C 58.231 0.300 1 99 17 17 PHE CB C 44.237 0.300 1 100 17 17 PHE CD1 C 132.509 0.300 1 101 17 17 PHE CD2 C 132.509 0.300 1 102 17 17 PHE CE1 C 131.377 0.300 1 103 17 17 PHE CE2 C 131.377 0.300 1 104 17 17 PHE CZ C 129.989 0.300 1 105 17 17 PHE N N 118.319 0.300 1 106 18 18 ALA H H 8.215 0.030 1 107 18 18 ALA HA H 4.277 0.030 1 108 18 18 ALA HB H 1.481 0.030 1 109 18 18 ALA C C 176.339 0.300 1 110 18 18 ALA CA C 52.032 0.300 1 111 18 18 ALA CB C 19.632 0.300 1 112 18 18 ALA N N 121.024 0.300 1 113 19 19 TYR H H 7.899 0.030 1 114 19 19 TYR HA H 4.312 0.030 1 115 19 19 TYR HB2 H 2.051 0.030 2 116 19 19 TYR HB3 H 1.024 0.030 2 117 19 19 TYR HD1 H 6.737 0.030 1 118 19 19 TYR HD2 H 6.737 0.030 1 119 19 19 TYR HE1 H 6.873 0.030 1 120 19 19 TYR HE2 H 6.873 0.030 1 121 19 19 TYR C C 175.082 0.300 1 122 19 19 TYR CA C 58.171 0.300 1 123 19 19 TYR CB C 43.044 0.300 1 124 19 19 TYR CD1 C 133.167 0.300 1 125 19 19 TYR CD2 C 133.167 0.300 1 126 19 19 TYR CE1 C 117.675 0.300 1 127 19 19 TYR CE2 C 117.675 0.300 1 128 19 19 TYR N N 120.205 0.300 1 129 20 20 THR H H 7.090 0.030 1 130 20 20 THR HA H 4.113 0.030 1 131 20 20 THR HB H 3.555 0.030 1 132 20 20 THR HG2 H 1.012 0.030 1 133 20 20 THR C C 172.555 0.300 1 134 20 20 THR CA C 60.457 0.300 1 135 20 20 THR CB C 69.735 0.300 1 136 20 20 THR CG2 C 21.193 0.300 1 137 20 20 THR N N 124.135 0.300 1 138 21 21 GLY H H 8.627 0.030 1 139 21 21 GLY HA2 H 3.395 0.030 2 140 21 21 GLY HA3 H 3.977 0.030 2 141 21 21 GLY C C 174.919 0.300 1 142 21 21 GLY CA C 46.638 0.300 1 143 21 21 GLY N N 113.856 0.300 1 144 22 22 ARG H H 8.921 0.030 1 145 22 22 ARG HA H 4.132 0.030 1 146 22 22 ARG HB2 H 1.989 0.030 1 147 22 22 ARG HB3 H 1.989 0.030 1 148 22 22 ARG HD2 H 3.291 0.030 2 149 22 22 ARG HD3 H 3.357 0.030 2 150 22 22 ARG HG2 H 1.928 0.030 2 151 22 22 ARG HG3 H 1.731 0.030 2 152 22 22 ARG C C 176.882 0.300 1 153 22 22 ARG CA C 57.246 0.300 1 154 22 22 ARG CB C 31.794 0.300 1 155 22 22 ARG CD C 43.474 0.300 1 156 22 22 ARG CG C 27.362 0.300 1 157 22 22 ARG N N 123.999 0.300 1 158 23 23 THR H H 7.212 0.030 1 159 23 23 THR HA H 4.565 0.030 1 160 23 23 THR HB H 4.439 0.030 1 161 23 23 THR HG2 H 1.119 0.030 1 162 23 23 THR C C 175.369 0.300 1 163 23 23 THR CA C 59.305 0.300 1 164 23 23 THR CB C 72.925 0.300 1 165 23 23 THR CG2 C 21.201 0.300 1 166 23 23 THR N N 105.886 0.300 1 167 24 24 ALA HA H 4.226 0.030 1 168 24 24 ALA HB H 1.459 0.030 1 169 24 24 ALA C C 177.849 0.300 1 170 24 24 ALA CA C 54.354 0.300 1 171 24 24 ALA CB C 18.428 0.300 1 172 25 25 GLN H H 7.776 0.030 1 173 25 25 GLN HA H 4.364 0.030 1 174 25 25 GLN HB2 H 2.153 0.030 2 175 25 25 GLN HB3 H 1.882 0.030 2 176 25 25 GLN HE21 H 7.515 0.030 2 177 25 25 GLN HE22 H 6.822 0.030 2 178 25 25 GLN HG2 H 2.319 0.030 2 179 25 25 GLN HG3 H 2.403 0.030 2 180 25 25 GLN C C 176.075 0.300 1 181 25 25 GLN CA C 56.750 0.300 1 182 25 25 GLN CB C 29.532 0.300 1 183 25 25 GLN CG C 34.844 0.300 1 184 25 25 GLN N N 113.508 0.300 1 185 25 25 GLN NE2 N 112.387 0.300 1 186 26 26 GLU H H 7.559 0.030 1 187 26 26 GLU HA H 4.728 0.030 1 188 26 26 GLU HB2 H 2.036 0.030 2 189 26 26 GLU HB3 H 2.642 0.030 2 190 26 26 GLU HG2 H 2.207 0.030 2 191 26 26 GLU HG3 H 2.056 0.030 2 192 26 26 GLU C C 175.749 0.300 1 193 26 26 GLU CA C 56.099 0.300 1 194 26 26 GLU CB C 33.162 0.300 1 195 26 26 GLU CG C 36.469 0.300 1 196 26 26 GLU N N 119.298 0.300 1 197 27 27 LEU H H 8.680 0.030 1 198 27 27 LEU HA H 4.550 0.030 1 199 27 27 LEU HB2 H 1.800 0.030 2 200 27 27 LEU HB3 H 1.630 0.030 2 201 27 27 LEU HD1 H 0.892 0.030 1 202 27 27 LEU HD2 H 0.862 0.030 1 203 27 27 LEU HG H 1.497 0.030 1 204 27 27 LEU C C 175.320 0.300 1 205 27 27 LEU CA C 54.601 0.300 1 206 27 27 LEU CB C 43.337 0.300 1 207 27 27 LEU CD1 C 22.776 0.300 2 208 27 27 LEU CD2 C 25.840 0.300 2 209 27 27 LEU CG C 27.445 0.300 1 210 27 27 LEU N N 122.492 0.300 1 211 28 28 SER H H 7.839 0.030 1 212 28 28 SER HA H 4.963 0.030 1 213 28 28 SER HB2 H 3.994 0.030 2 214 28 28 SER HB3 H 3.727 0.030 2 215 28 28 SER C C 173.608 0.300 1 216 28 28 SER CA C 57.308 0.300 1 217 28 28 SER CB C 65.214 0.300 1 218 28 28 SER N N 111.422 0.300 1 219 29 29 PHE H H 8.432 0.030 1 220 29 29 PHE HA H 4.845 0.030 1 221 29 29 PHE HB2 H 3.068 0.030 2 222 29 29 PHE HB3 H 2.771 0.030 2 223 29 29 PHE HD1 H 6.731 0.030 1 224 29 29 PHE HD2 H 6.731 0.030 1 225 29 29 PHE HE1 H 7.455 0.030 1 226 29 29 PHE HE2 H 7.455 0.030 1 227 29 29 PHE HZ H 6.764 0.030 1 228 29 29 PHE C C 174.335 0.300 1 229 29 29 PHE CA C 56.427 0.300 1 230 29 29 PHE CB C 39.396 0.300 1 231 29 29 PHE CD1 C 133.178 0.300 1 232 29 29 PHE CD2 C 133.178 0.300 1 233 29 29 PHE CE1 C 131.501 0.300 1 234 29 29 PHE CE2 C 131.501 0.300 1 235 29 29 PHE CZ C 128.843 0.300 1 236 29 29 PHE N N 116.967 0.300 1 237 30 30 ARG H H 9.271 0.030 1 238 30 30 ARG HA H 4.509 0.030 1 239 30 30 ARG HB2 H 1.798 0.030 2 240 30 30 ARG HB3 H 1.908 0.030 2 241 30 30 ARG HD2 H 3.239 0.030 1 242 30 30 ARG HD3 H 3.239 0.030 1 243 30 30 ARG HG2 H 1.711 0.030 2 244 30 30 ARG HG3 H 1.671 0.030 2 245 30 30 ARG C C 176.070 0.300 1 246 30 30 ARG CA C 54.342 0.300 1 247 30 30 ARG CB C 31.971 0.300 1 248 30 30 ARG CD C 43.313 0.300 1 249 30 30 ARG CG C 27.691 0.300 1 250 30 30 ARG N N 121.295 0.300 1 251 31 31 ARG H H 8.233 0.030 1 252 31 31 ARG HA H 3.399 0.030 1 253 31 31 ARG HB2 H 1.714 0.030 2 254 31 31 ARG HB3 H 1.537 0.030 2 255 31 31 ARG HD2 H 3.186 0.030 2 256 31 31 ARG HD3 H 3.125 0.030 2 257 31 31 ARG HG2 H 1.351 0.030 1 258 31 31 ARG HG3 H 1.351 0.030 1 259 31 31 ARG C C 177.379 0.300 1 260 31 31 ARG CA C 58.780 0.300 1 261 31 31 ARG CB C 29.891 0.300 1 262 31 31 ARG CD C 43.473 0.300 1 263 31 31 ARG CG C 27.384 0.300 1 264 31 31 ARG N N 120.122 0.300 1 265 32 32 GLY H H 8.899 0.030 1 266 32 32 GLY HA2 H 4.382 0.030 2 267 32 32 GLY HA3 H 3.419 0.030 2 268 32 32 GLY C C 173.950 0.300 1 269 32 32 GLY CA C 44.965 0.300 1 270 32 32 GLY N N 115.661 0.300 1 271 33 33 ASP H H 7.830 0.030 1 272 33 33 ASP HA H 4.604 0.030 1 273 33 33 ASP HB2 H 2.817 0.030 2 274 33 33 ASP HB3 H 2.351 0.030 2 275 33 33 ASP C C 174.706 0.300 1 276 33 33 ASP CA C 55.446 0.300 1 277 33 33 ASP CB C 41.416 0.300 1 278 33 33 ASP N N 121.835 0.300 1 279 34 34 VAL H H 8.409 0.030 1 280 34 34 VAL HA H 4.361 0.030 1 281 34 34 VAL HB H 1.954 0.030 1 282 34 34 VAL HG1 H 0.969 0.030 1 283 34 34 VAL HG2 H 0.794 0.030 1 284 34 34 VAL C C 175.614 0.300 1 285 34 34 VAL CA C 62.421 0.300 1 286 34 34 VAL CB C 32.082 0.300 1 287 34 34 VAL CG1 C 21.525 0.300 2 288 34 34 VAL CG2 C 21.531 0.300 2 289 34 34 VAL N N 120.889 0.300 1 290 35 35 LEU H H 8.759 0.030 1 291 35 35 LEU HA H 4.645 0.030 1 292 35 35 LEU HB2 H 1.040 0.030 2 293 35 35 LEU HB3 H 1.131 0.030 2 294 35 35 LEU HD1 H -0.084 0.030 1 295 35 35 LEU HD2 H 0.117 0.030 1 296 35 35 LEU HG H 1.147 0.030 1 297 35 35 LEU C C 175.398 0.300 1 298 35 35 LEU CA C 53.100 0.300 1 299 35 35 LEU CB C 43.973 0.300 1 300 35 35 LEU CD1 C 25.143 0.300 2 301 35 35 LEU CD2 C 23.902 0.300 2 302 35 35 LEU CG C 26.995 0.300 1 303 35 35 LEU N N 128.495 0.300 1 304 36 36 ARG H H 8.115 0.030 1 305 36 36 ARG HA H 4.650 0.030 1 306 36 36 ARG HB2 H 1.819 0.030 2 307 36 36 ARG HB3 H 1.555 0.030 2 308 36 36 ARG HD2 H 3.104 0.030 2 309 36 36 ARG HD3 H 3.193 0.030 2 310 36 36 ARG HG2 H 1.449 0.030 2 311 36 36 ARG HG3 H 1.613 0.030 2 312 36 36 ARG C C 175.091 0.300 1 313 36 36 ARG CA C 55.299 0.300 1 314 36 36 ARG CB C 31.287 0.300 1 315 36 36 ARG CD C 43.395 0.300 1 316 36 36 ARG CG C 28.430 0.300 1 317 36 36 ARG N N 120.618 0.300 1 318 37 37 LEU H H 9.036 0.030 1 319 37 37 LEU HA H 4.353 0.030 1 320 37 37 LEU HB2 H 1.475 0.030 2 321 37 37 LEU HB3 H 1.043 0.030 2 322 37 37 LEU HD1 H 0.019 0.030 1 323 37 37 LEU HD2 H -0.666 0.030 1 324 37 37 LEU HG H 1.135 0.030 1 325 37 37 LEU C C 175.716 0.300 1 326 37 37 LEU CA C 54.243 0.300 1 327 37 37 LEU CB C 41.436 0.300 1 328 37 37 LEU CD1 C 22.192 0.300 2 329 37 37 LEU CD2 C 23.794 0.300 2 330 37 37 LEU CG C 25.645 0.300 1 331 37 37 LEU N N 122.849 0.300 1 332 38 38 HIS H H 9.296 0.030 1 333 38 38 HIS HA H 4.962 0.030 1 334 38 38 HIS HB2 H 3.223 0.030 2 335 38 38 HIS HB3 H 2.993 0.030 2 336 38 38 HIS HD2 H 6.751 0.030 1 337 38 38 HIS HE1 H 7.562 0.030 1 338 38 38 HIS C C 176.242 0.300 1 339 38 38 HIS CA C 57.331 0.300 1 340 38 38 HIS CB C 33.100 0.300 1 341 38 38 HIS CD2 C 116.738 0.300 1 342 38 38 HIS CE1 C 138.391 0.300 1 343 38 38 HIS N N 121.785 0.300 1 344 39 39 GLU H H 8.185 0.030 1 345 39 39 GLU HA H 4.742 0.030 1 346 39 39 GLU HB2 H 2.094 0.030 1 347 39 39 GLU HB3 H 2.094 0.030 1 348 39 39 GLU HG2 H 2.157 0.030 1 349 39 39 GLU HG3 H 2.157 0.030 1 350 39 39 GLU C C 175.757 0.300 1 351 39 39 GLU CA C 55.728 0.300 1 352 39 39 GLU CB C 33.447 0.300 1 353 39 39 GLU CG C 35.772 0.300 1 354 39 39 GLU N N 114.606 0.300 1 355 40 40 ARG H H 9.197 0.030 1 356 40 40 ARG HA H 3.714 0.030 1 357 40 40 ARG HB2 H 0.441 0.030 2 358 40 40 ARG HB3 H 1.559 0.030 2 359 40 40 ARG HD2 H 1.297 0.030 2 360 40 40 ARG HD3 H 2.007 0.030 2 361 40 40 ARG HG2 H 0.887 0.030 2 362 40 40 ARG HG3 H 0.434 0.030 2 363 40 40 ARG C C 174.854 0.300 1 364 40 40 ARG CA C 55.352 0.300 1 365 40 40 ARG CB C 29.790 0.300 1 366 40 40 ARG CD C 42.196 0.300 1 367 40 40 ARG CG C 26.211 0.300 1 368 40 40 ARG N N 128.658 0.300 1 369 41 41 ALA H H 8.429 0.030 1 370 41 41 ALA HA H 4.274 0.030 1 371 41 41 ALA HB H 1.302 0.030 1 372 41 41 ALA C C 177.248 0.300 1 373 41 41 ALA CA C 54.247 0.300 1 374 41 41 ALA CB C 19.510 0.300 1 375 41 41 ALA N N 133.328 0.300 1 376 42 42 SER H H 8.543 0.030 1 377 42 42 SER HA H 4.527 0.030 1 378 42 42 SER HB2 H 4.152 0.030 2 379 42 42 SER HB3 H 4.234 0.030 2 380 42 42 SER C C 174.521 0.300 1 381 42 42 SER CA C 57.057 0.300 1 382 42 42 SER CB C 64.580 0.300 1 383 42 42 SER N N 110.385 0.300 1 384 44 44 ASP HA H 4.715 0.030 1 385 44 44 ASP HB2 H 2.423 0.030 2 386 44 44 ASP HB3 H 2.345 0.030 2 387 44 44 ASP C C 176.656 0.300 1 388 44 44 ASP CA C 54.906 0.300 1 389 44 44 ASP CB C 42.902 0.300 1 390 45 45 TRP H H 7.350 0.030 1 391 45 45 TRP HA H 5.494 0.030 1 392 45 45 TRP HB2 H 3.170 0.030 2 393 45 45 TRP HB3 H 2.936 0.030 2 394 45 45 TRP HD1 H 7.075 0.030 1 395 45 45 TRP HE1 H 10.167 0.030 1 396 45 45 TRP HE3 H 7.454 0.030 1 397 45 45 TRP HH2 H 7.234 0.030 1 398 45 45 TRP HZ2 H 7.454 0.030 1 399 45 45 TRP HZ3 H 6.710 0.030 1 400 45 45 TRP C C 174.577 0.300 1 401 45 45 TRP CA C 57.124 0.300 1 402 45 45 TRP CB C 34.263 0.300 1 403 45 45 TRP CD1 C 127.707 0.300 1 404 45 45 TRP CE3 C 120.710 0.300 1 405 45 45 TRP CH2 C 124.911 0.300 1 406 45 45 TRP CZ2 C 114.604 0.300 1 407 45 45 TRP CZ3 C 120.674 0.300 1 408 45 45 TRP N N 119.534 0.300 1 409 45 45 TRP NE1 N 128.781 0.300 1 410 46 46 TRP H H 10.000 0.030 1 411 46 46 TRP HA H 5.086 0.030 1 412 46 46 TRP HB2 H 3.295 0.030 2 413 46 46 TRP HB3 H 2.978 0.030 2 414 46 46 TRP HD1 H 6.927 0.030 1 415 46 46 TRP HE1 H 13.444 0.030 1 416 46 46 TRP HE3 H 7.285 0.030 1 417 46 46 TRP HH2 H 7.151 0.030 1 418 46 46 TRP HZ2 H 7.402 0.030 1 419 46 46 TRP HZ3 H 6.966 0.030 1 420 46 46 TRP C C 176.169 0.300 1 421 46 46 TRP CA C 56.518 0.300 1 422 46 46 TRP CB C 32.355 0.300 1 423 46 46 TRP CD1 C 125.705 0.300 1 424 46 46 TRP CE3 C 120.162 0.300 1 425 46 46 TRP CH2 C 124.290 0.300 1 426 46 46 TRP CZ2 C 115.206 0.300 1 427 46 46 TRP CZ3 C 121.989 0.300 1 428 46 46 TRP N N 122.106 0.300 1 429 47 47 ARG H H 9.715 0.030 1 430 47 47 ARG HA H 5.080 0.030 1 431 47 47 ARG HB2 H 1.903 0.030 2 432 47 47 ARG HB3 H 2.121 0.030 2 433 47 47 ARG HD2 H 3.272 0.030 1 434 47 47 ARG HD3 H 3.272 0.030 1 435 47 47 ARG HG2 H 1.659 0.030 1 436 47 47 ARG HG3 H 1.659 0.030 1 437 47 47 ARG C C 176.900 0.300 1 438 47 47 ARG CA C 56.160 0.300 1 439 47 47 ARG CB C 31.473 0.300 1 440 47 47 ARG CD C 43.231 0.300 1 441 47 47 ARG CG C 29.089 0.300 1 442 47 47 ARG N N 119.808 0.300 1 443 48 48 GLY H H 9.108 0.030 1 444 48 48 GLY HA2 H 4.294 0.030 1 445 48 48 GLY HA3 H 4.294 0.030 1 446 48 48 GLY C C 171.166 0.300 1 447 48 48 GLY CA C 46.908 0.300 1 448 48 48 GLY N N 113.012 0.300 1 449 49 49 GLU H H 9.161 0.030 1 450 49 49 GLU HA H 5.682 0.030 1 451 49 49 GLU HB2 H 1.957 0.030 2 452 49 49 GLU HB3 H 1.874 0.030 2 453 49 49 GLU HG2 H 2.056 0.030 2 454 49 49 GLU HG3 H 2.124 0.030 2 455 49 49 GLU C C 174.013 0.300 1 456 49 49 GLU CA C 54.687 0.300 1 457 49 49 GLU CB C 34.849 0.300 1 458 49 49 GLU CG C 36.070 0.300 1 459 49 49 GLU N N 121.971 0.300 1 460 50 50 HIS H H 8.871 0.030 1 461 50 50 HIS HA H 4.904 0.030 1 462 50 50 HIS HB2 H 3.066 0.030 2 463 50 50 HIS HB3 H 3.115 0.030 2 464 50 50 HIS HD2 H 7.334 0.030 1 465 50 50 HIS HE1 H 7.877 0.030 1 466 50 50 HIS C C 175.272 0.300 1 467 50 50 HIS CA C 56.461 0.300 1 468 50 50 HIS CB C 34.163 0.300 1 469 50 50 HIS CD2 C 119.651 0.300 1 470 50 50 HIS CE1 C 138.328 0.300 1 471 50 50 HIS N N 122.512 0.300 1 472 51 51 ASN H H 9.092 0.030 1 473 51 51 ASN HA H 4.248 0.030 1 474 51 51 ASN HB2 H 3.008 0.030 2 475 51 51 ASN HB3 H 2.273 0.030 2 476 51 51 ASN HD21 H 6.744 0.030 2 477 51 51 ASN HD22 H 7.391 0.030 2 478 51 51 ASN C C 174.970 0.300 1 479 51 51 ASN CA C 53.651 0.300 1 480 51 51 ASN CB C 37.181 0.300 1 481 51 51 ASN N N 127.591 0.300 1 482 51 51 ASN ND2 N 111.412 0.300 1 483 52 52 GLY H H 9.046 0.030 1 484 52 52 GLY HA2 H 3.622 0.030 2 485 52 52 GLY HA3 H 4.152 0.030 2 486 52 52 GLY C C 173.844 0.300 1 487 52 52 GLY CA C 45.522 0.300 1 488 52 52 GLY N N 104.251 0.300 1 489 53 53 MET H H 8.006 0.030 1 490 53 53 MET HA H 4.786 0.030 1 491 53 53 MET HB2 H 2.207 0.030 1 492 53 53 MET HB3 H 2.207 0.030 1 493 53 53 MET HE H 2.219 0.030 1 494 53 53 MET HG2 H 2.596 0.030 2 495 53 53 MET HG3 H 2.660 0.030 2 496 53 53 MET C C 174.620 0.300 1 497 53 53 MET CA C 53.984 0.300 1 498 53 53 MET CB C 34.302 0.300 1 499 53 53 MET CE C 17.261 0.300 1 500 53 53 MET CG C 32.163 0.300 1 501 53 53 MET N N 121.250 0.300 1 502 54 54 ARG H H 8.629 0.030 1 503 54 54 ARG HA H 5.405 0.030 1 504 54 54 ARG HB2 H 1.798 0.030 2 505 54 54 ARG HB3 H 1.962 0.030 2 506 54 54 ARG HD2 H 3.169 0.030 1 507 54 54 ARG HD3 H 3.169 0.030 1 508 54 54 ARG HG2 H 1.740 0.030 2 509 54 54 ARG HG3 H 1.569 0.030 2 510 54 54 ARG C C 176.920 0.300 1 511 54 54 ARG CA C 54.659 0.300 1 512 54 54 ARG CB C 32.241 0.300 1 513 54 54 ARG CD C 43.478 0.300 1 514 54 54 ARG CG C 28.349 0.300 1 515 54 54 ARG N N 121.835 0.300 1 516 55 55 GLY H H 8.516 0.030 1 517 55 55 GLY HA2 H 4.239 0.030 2 518 55 55 GLY HA3 H 4.051 0.030 2 519 55 55 GLY C C 171.282 0.300 1 520 55 55 GLY CA C 45.912 0.300 1 521 55 55 GLY N N 109.080 0.300 1 522 56 56 LEU H H 8.874 0.030 1 523 56 56 LEU HA H 5.502 0.030 1 524 56 56 LEU HB2 H 1.684 0.030 2 525 56 56 LEU HB3 H 1.523 0.030 2 526 56 56 LEU HD1 H 0.373 0.030 1 527 56 56 LEU HD2 H 0.725 0.030 1 528 56 56 LEU HG H 1.617 0.030 1 529 56 56 LEU C C 171.201 0.300 1 530 56 56 LEU CA C 54.763 0.300 1 531 56 56 LEU CB C 44.789 0.300 1 532 56 56 LEU CD1 C 25.416 0.300 2 533 56 56 LEU CD2 C 23.169 0.300 2 534 56 56 LEU CG C 27.207 0.300 1 535 56 56 LEU N N 120.343 0.300 1 536 57 57 ILE H H 9.672 0.030 1 537 57 57 ILE HA H 4.918 0.030 1 538 57 57 ILE HB H 1.595 0.030 1 539 57 57 ILE HD1 H 0.600 0.030 1 540 57 57 ILE HG12 H 1.707 0.030 2 541 57 57 ILE HG13 H 0.819 0.030 2 542 57 57 ILE HG2 H 0.630 0.030 1 543 57 57 ILE CA C 58.065 0.300 1 544 57 57 ILE CB C 45.013 0.300 1 545 57 57 ILE CD1 C 15.913 0.300 1 546 57 57 ILE CG1 C 28.597 0.300 1 547 57 57 ILE CG2 C 17.658 0.300 1 548 57 57 ILE N N 121.042 0.300 1 549 58 58 PRO HA H 4.051 0.030 1 550 58 58 PRO HB2 H 1.397 0.030 2 551 58 58 PRO HB3 H 0.924 0.030 2 552 58 58 PRO HD2 H 3.583 0.030 2 553 58 58 PRO HD3 H 3.879 0.030 2 554 58 58 PRO HG2 H 0.284 0.030 2 555 58 58 PRO HG3 H 1.236 0.030 2 556 58 58 PRO C C 176.908 0.300 1 557 58 58 PRO CA C 61.905 0.300 1 558 58 58 PRO CB C 30.546 0.300 1 559 58 58 PRO CD C 51.371 0.300 1 560 58 58 PRO CG C 26.129 0.300 1 561 59 59 HIS H H 8.096 0.030 1 562 59 59 HIS HA H 4.246 0.030 1 563 59 59 HIS HB2 H 2.833 0.030 2 564 59 59 HIS HB3 H 2.935 0.030 2 565 59 59 HIS HD2 H 6.909 0.030 1 566 59 59 HIS HE1 H 7.785 0.030 1 567 59 59 HIS C C 176.460 0.300 1 568 59 59 HIS CA C 60.156 0.300 1 569 59 59 HIS CB C 32.706 0.300 1 570 59 59 HIS CD2 C 117.508 0.300 1 571 59 59 HIS CE1 C 138.172 0.300 1 572 59 59 HIS N N 125.299 0.300 1 573 60 60 LYS H H 8.449 0.030 1 574 60 60 LYS HA H 3.982 0.030 1 575 60 60 LYS HB2 H 1.612 0.030 2 576 60 60 LYS HB3 H 1.574 0.030 2 577 60 60 LYS HD2 H 1.510 0.030 1 578 60 60 LYS HD3 H 1.510 0.030 1 579 60 60 LYS HE2 H 2.829 0.030 1 580 60 60 LYS HE3 H 2.829 0.030 1 581 60 60 LYS HG2 H 1.161 0.030 2 582 60 60 LYS HG3 H 1.054 0.030 2 583 60 60 LYS C C 176.405 0.300 1 584 60 60 LYS CA C 57.907 0.300 1 585 60 60 LYS CB C 32.030 0.300 1 586 60 60 LYS CD C 29.171 0.300 1 587 60 60 LYS CE C 41.989 0.300 1 588 60 60 LYS CG C 24.986 0.300 1 589 60 60 LYS N N 112.376 0.300 1 590 61 61 TYR H H 7.327 0.030 1 591 61 61 TYR HA H 4.703 0.030 1 592 61 61 TYR HB2 H 3.867 0.030 2 593 61 61 TYR HB3 H 2.815 0.030 2 594 61 61 TYR HD1 H 6.869 0.030 1 595 61 61 TYR HD2 H 6.869 0.030 1 596 61 61 TYR HE1 H 6.797 0.030 1 597 61 61 TYR HE2 H 6.797 0.030 1 598 61 61 TYR C C 174.706 0.300 1 599 61 61 TYR CA C 58.138 0.300 1 600 61 61 TYR CB C 38.387 0.300 1 601 61 61 TYR CD1 C 133.021 0.300 1 602 61 61 TYR CD2 C 133.021 0.300 1 603 61 61 TYR CE1 C 118.153 0.300 1 604 61 61 TYR CE2 C 118.153 0.300 1 605 61 61 TYR N N 116.435 0.300 1 606 62 62 ILE H H 7.172 0.030 1 607 62 62 ILE HA H 4.981 0.030 1 608 62 62 ILE HB H 1.361 0.030 1 609 62 62 ILE HD1 H 0.180 0.030 1 610 62 62 ILE HG12 H 1.040 0.030 2 611 62 62 ILE HG13 H 1.003 0.030 2 612 62 62 ILE HG2 H 0.339 0.030 1 613 62 62 ILE C C 174.794 0.300 1 614 62 62 ILE CA C 59.293 0.300 1 615 62 62 ILE CB C 42.100 0.300 1 616 62 62 ILE CD1 C 14.740 0.300 1 617 62 62 ILE CG1 C 24.774 0.300 1 618 62 62 ILE CG2 C 18.622 0.300 1 619 62 62 ILE N N 112.098 0.300 1 620 63 63 THR H H 8.664 0.030 1 621 63 63 THR HA H 4.405 0.030 1 622 63 63 THR HB H 3.820 0.030 1 623 63 63 THR HG2 H 1.073 0.030 1 624 63 63 THR C C 173.804 0.300 1 625 63 63 THR CA C 61.195 0.300 1 626 63 63 THR CB C 70.281 0.300 1 627 63 63 THR CG2 C 21.866 0.300 1 628 63 63 THR N N 118.274 0.300 1 629 64 64 LEU H H 8.649 0.030 1 630 64 64 LEU HA H 4.472 0.030 1 631 64 64 LEU HB2 H 1.572 0.030 2 632 64 64 LEU HB3 H 1.530 0.030 2 633 64 64 LEU HD1 H 0.923 0.030 1 634 64 64 LEU HD2 H 0.624 0.030 1 635 64 64 LEU HG H 1.497 0.030 1 636 64 64 LEU C C 174.812 0.300 1 637 64 64 LEU CA C 52.875 0.300 1 638 64 64 LEU CB C 41.364 0.300 1 639 64 64 LEU CD1 C 25.582 0.300 2 640 64 64 LEU CD2 C 24.390 0.300 2 641 64 64 LEU CG C 27.980 0.300 1 642 64 64 LEU N N 129.374 0.300 1 643 65 65 PRO HA H 4.391 0.030 1 644 65 65 PRO HB2 H 2.303 0.030 2 645 65 65 PRO HB3 H 1.890 0.030 2 646 65 65 PRO HD2 H 3.491 0.030 2 647 65 65 PRO HD3 H 3.742 0.030 2 648 65 65 PRO HG2 H 2.041 0.030 1 649 65 65 PRO HG3 H 2.041 0.030 1 650 65 65 PRO C C 176.856 0.300 1 651 65 65 PRO CA C 62.842 0.300 1 652 65 65 PRO CB C 31.985 0.300 1 653 65 65 PRO CD C 50.461 0.300 1 654 65 65 PRO CG C 27.606 0.300 1 655 66 66 ALA H H 8.546 0.030 1 656 66 66 ALA HA H 4.282 0.030 1 657 66 66 ALA HB H 1.403 0.030 1 658 66 66 ALA C C 178.568 0.300 1 659 66 66 ALA CA C 53.007 0.300 1 660 66 66 ALA CB C 19.158 0.300 1 661 66 66 ALA N N 125.262 0.300 1 662 67 67 GLY H H 8.592 0.030 1 663 67 67 GLY HA2 H 3.960 0.030 2 664 67 67 GLY HA3 H 4.082 0.030 2 665 67 67 GLY C C 174.861 0.300 1 666 67 67 GLY CA C 45.450 0.300 1 667 67 67 GLY N N 108.942 0.300 1 668 68 68 THR H H 7.972 0.030 1 669 68 68 THR HA H 4.272 0.030 1 670 68 68 THR HB H 4.233 0.030 1 671 68 68 THR HG2 H 1.220 0.030 1 672 68 68 THR C C 174.956 0.300 1 673 68 68 THR CA C 62.924 0.300 1 674 68 68 THR CB C 69.647 0.300 1 675 68 68 THR CG2 C 21.901 0.300 1 676 68 68 THR N N 113.562 0.300 1 677 69 69 GLU H H 8.661 0.030 1 678 69 69 GLU HA H 4.283 0.030 1 679 69 69 GLU HB2 H 1.978 0.030 2 680 69 69 GLU HB3 H 2.066 0.030 2 681 69 69 GLU HG2 H 2.322 0.030 2 682 69 69 GLU HG3 H 2.235 0.030 2 683 69 69 GLU C C 176.453 0.300 1 684 69 69 GLU CA C 57.202 0.300 1 685 69 69 GLU CB C 30.157 0.300 1 686 69 69 GLU CG C 36.489 0.300 1 687 69 69 GLU N N 123.188 0.300 1 688 70 70 LYS H H 8.270 0.030 1 689 70 70 LYS HA H 4.299 0.030 1 690 70 70 LYS HB2 H 1.747 0.030 2 691 70 70 LYS HB3 H 1.833 0.030 2 692 70 70 LYS HD2 H 1.699 0.030 1 693 70 70 LYS HD3 H 1.699 0.030 1 694 70 70 LYS HE2 H 2.994 0.030 1 695 70 70 LYS HE3 H 2.994 0.030 1 696 70 70 LYS HG2 H 1.434 0.030 1 697 70 70 LYS HG3 H 1.434 0.030 1 698 70 70 LYS C C 176.442 0.300 1 699 70 70 LYS CA C 56.619 0.300 1 700 70 70 LYS CB C 33.028 0.300 1 701 70 70 LYS CD C 29.097 0.300 1 702 70 70 LYS CE C 42.220 0.300 1 703 70 70 LYS CG C 24.848 0.300 1 704 70 70 LYS N N 122.071 0.300 1 705 71 71 GLN H H 8.356 0.030 1 706 71 71 GLN HA H 4.295 0.030 1 707 71 71 GLN HB2 H 2.078 0.030 2 708 71 71 GLN HB3 H 1.947 0.030 2 709 71 71 GLN HG2 H 2.267 0.030 1 710 71 71 GLN HG3 H 2.267 0.030 1 711 71 71 GLN C C 175.923 0.300 1 712 71 71 GLN CA C 56.088 0.300 1 713 71 71 GLN CB C 30.334 0.300 1 714 71 71 GLN CG C 36.413 0.300 1 715 71 71 GLN N N 121.698 0.300 1 716 72 72 VAL H H 8.241 0.030 1 717 72 72 VAL HA H 4.075 0.030 1 718 72 72 VAL HB H 2.031 0.030 1 719 72 72 VAL HG1 H 0.901 0.030 1 720 72 72 VAL HG2 H 0.902 0.030 1 721 72 72 VAL C C 176.167 0.300 1 722 72 72 VAL CA C 62.388 0.300 1 723 72 72 VAL CB C 32.707 0.300 1 724 72 72 VAL CG1 C 21.032 0.300 1 725 72 72 VAL CG2 C 21.032 0.300 1 726 72 72 VAL N N 122.325 0.300 1 727 73 73 VAL H H 8.275 0.030 1 728 73 73 VAL HA H 4.097 0.030 1 729 73 73 VAL HB H 2.033 0.030 1 730 73 73 VAL HG1 H 0.902 0.030 1 731 73 73 VAL HG2 H 0.902 0.030 1 732 73 73 VAL C C 176.615 0.300 1 733 73 73 VAL CA C 62.553 0.300 1 734 73 73 VAL CB C 32.756 0.300 1 735 73 73 VAL CG1 C 20.949 0.300 1 736 73 73 VAL CG2 C 20.949 0.300 1 737 73 73 VAL N N 124.802 0.300 1 738 74 74 GLY H H 8.477 0.030 1 739 74 74 GLY HA2 H 4.047 0.030 1 740 74 74 GLY HA3 H 4.047 0.030 1 741 74 74 GLY C C 173.653 0.300 1 742 74 74 GLY CA C 45.269 0.300 1 743 74 74 GLY N N 113.230 0.300 1 744 75 75 ALA H H 8.186 0.030 1 745 75 75 ALA HA H 4.349 0.030 1 746 75 75 ALA HB H 1.376 0.030 1 747 75 75 ALA C C 175.419 0.300 1 748 75 75 ALA CA C 52.357 0.300 1 749 75 75 ALA CB C 19.663 0.300 1 750 75 75 ALA N N 124.270 0.300 1 751 76 76 GLY H H 8.021 0.030 1 752 76 76 GLY HA2 H 3.733 0.030 1 753 76 76 GLY HA3 H 3.733 0.030 1 754 76 76 GLY C C 179.150 0.300 1 755 76 76 GLY CA C 46.173 0.300 1 756 76 76 GLY N N 114.545 0.300 1 stop_ save_