data_10194 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of mouse RUN and TBC1 domain containing 3 ; _BMRB_accession_number 10194 _BMRB_flat_file_name bmr10194.str _Entry_type new _Submission_date 2008-02-19 _Accession_date 2008-02-19 _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 Abe H. . . 2 Tochio N. . . 3 Miyamoto K. . . 4 Saito K. . . 5 Sasagawa A. . . 6 Koshiba S. . . 7 Inoue M. . . 8 Kigawa T. . . 9 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" 426 "13C chemical shifts" 317 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-27 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the SH3 domain of mouse RUN and TBC1 domain containing 3' _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 Abe H. . . 2 Tochio N. . . 3 Miyamoto K. . . 4 Saito K. . . 5 Sasagawa A. . . 6 Koshiba S. . . 7 Inoue M. . . 8 Kigawa T. . . 9 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 'RUN and TBC1 domain containing 3' _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 78 _Mol_residue_sequence ; GSSGSSGRRAKALLDFERHD DDELGFRKNDIITIISQKDE HCWVGELNGLRGWFPAKFVE VLDERSKEYSIASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ARG 10 ALA 11 LYS 12 ALA 13 LEU 14 LEU 15 ASP 16 PHE 17 GLU 18 ARG 19 HIS 20 ASP 21 ASP 22 ASP 23 GLU 24 LEU 25 GLY 26 PHE 27 ARG 28 LYS 29 ASN 30 ASP 31 ILE 32 ILE 33 THR 34 ILE 35 ILE 36 SER 37 GLN 38 LYS 39 ASP 40 GLU 41 HIS 42 CYS 43 TRP 44 VAL 45 GLY 46 GLU 47 LEU 48 ASN 49 GLY 50 LEU 51 ARG 52 GLY 53 TRP 54 PHE 55 PRO 56 ALA 57 LYS 58 PHE 59 VAL 60 GLU 61 VAL 62 LEU 63 ASP 64 GLU 65 ARG 66 SER 67 LYS 68 GLU 69 TYR 70 SER 71 ILE 72 ALA 73 SER 74 GLY 75 PRO 76 SER 77 SER 78 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-01 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 2YUO "Solution Structure Of The Sh3 Domain Of Mouse Run And Tbc1 Domain Containing 3" 100.00 78 100.00 100.00 4.73e-48 DBJ BAC82539 "brain-derived integrating factor-1 [Rattus norvegicus]" 87.18 749 97.06 97.06 6.20e-36 DBJ BAE42041 "unnamed protein product [Mus musculus]" 87.18 760 97.06 97.06 6.44e-36 EMBL CAG04108 "unnamed protein product, partial [Tetraodon nigroviridis]" 83.33 814 96.92 100.00 2.06e-35 GB AAH18197 "Small G protein signaling modulator 3 [Mus musculus]" 87.18 750 97.06 97.06 6.05e-36 GB AAH24122 "Small G protein signaling modulator 3 [Mus musculus]" 87.18 750 97.06 97.06 6.05e-36 GB AAH25561 "Small G protein signaling modulator 3 [Mus musculus]" 87.18 750 97.06 97.06 6.05e-36 GB AAH54597 "Small G protein signaling modulator 3 [Danio rerio]" 83.33 755 96.92 100.00 3.31e-36 GB AAH62060 "Small G protein signaling modulator 3 [Rattus norvegicus]" 87.18 749 97.06 97.06 6.20e-36 REF NP_001070013 "small G protein signaling modulator 3 [Bos taurus]" 83.33 747 98.46 100.00 8.68e-37 REF NP_598852 "small G protein signaling modulator 3 [Mus musculus]" 87.18 760 97.06 97.06 6.25e-36 REF NP_942082 "small G protein signaling modulator 3 [Rattus norvegicus]" 87.18 763 97.06 97.06 5.35e-36 REF NP_998495 "small G protein signaling modulator 3 [Danio rerio]" 83.33 755 96.92 100.00 3.31e-36 REF XP_001097960 "PREDICTED: small G protein signaling modulator 3-like [Macaca mulatta]" 83.33 699 98.46 100.00 1.03e-35 SP Q2KI13 "RecName: Full=Small G protein signaling modulator 3; AltName: Full=RUN and TBC1 domain-containing protein 3" 83.33 747 98.46 100.00 8.68e-37 SP Q6P6R7 "RecName: Full=Small G protein signaling modulator 3; AltName: Full=BDIF-1; AltName: Full=RUN and TBC1 domain-containing protein" 87.18 749 97.06 97.06 6.20e-36 SP Q7T2D0 "RecName: Full=Small G protein signaling modulator 3; AltName: Full=RUN and TBC1 domain-containing protein 3" 83.33 755 96.92 100.00 3.31e-36 SP Q8VCZ6 "RecName: Full=Small G protein signaling modulator 3; AltName: Full=RUN and TBC1 domain-containing protein 3" 87.18 750 97.06 97.06 6.05e-36 TPG DAA29091 "TPA: small G protein signaling modulator 3 [Bos taurus]" 83.33 747 98.46 100.00 8.68e-37 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 mouse 10090 Eukaryota Metazoa Mus musculus 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' . . . . plasmid P060417-23 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 $entity_1 1.00 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . ZnCl2 0.05 mM . IDA 1 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMNMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9747 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _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 6 6 SER CA C 58.690 0.300 1 2 6 6 SER HA H 4.411 0.030 1 3 7 7 GLY N N 110.826 0.300 1 4 7 7 GLY H H 8.436 0.030 1 5 7 7 GLY CA C 45.315 0.300 1 6 7 7 GLY HA2 H 4.029 0.030 2 7 7 7 GLY HA3 H 3.918 0.030 2 8 7 7 GLY C C 173.788 0.300 1 9 8 8 ARG N N 120.458 0.300 1 10 8 8 ARG H H 8.272 0.030 1 11 8 8 ARG CA C 55.715 0.300 1 12 8 8 ARG HA H 4.500 0.030 1 13 8 8 ARG CB C 31.541 0.300 1 14 8 8 ARG HB2 H 1.718 0.030 2 15 8 8 ARG HB3 H 1.841 0.030 2 16 8 8 ARG CG C 27.168 0.300 1 17 8 8 ARG HG2 H 1.680 0.030 1 18 8 8 ARG HG3 H 1.680 0.030 1 19 8 8 ARG CD C 43.327 0.300 1 20 8 8 ARG HD2 H 3.129 0.030 2 21 8 8 ARG HD3 H 3.091 0.030 2 22 8 8 ARG C C 175.201 0.300 1 23 9 9 ARG N N 121.537 0.300 1 24 9 9 ARG H H 8.879 0.030 1 25 9 9 ARG CA C 54.737 0.300 1 26 9 9 ARG HA H 5.288 0.030 1 27 9 9 ARG CB C 34.064 0.300 1 28 9 9 ARG HB2 H 1.702 0.030 2 29 9 9 ARG HB3 H 1.600 0.030 2 30 9 9 ARG CG C 27.568 0.300 1 31 9 9 ARG HG2 H 1.655 0.030 2 32 9 9 ARG HG3 H 1.607 0.030 2 33 9 9 ARG CD C 43.669 0.300 1 34 9 9 ARG HD2 H 3.142 0.030 2 35 9 9 ARG HD3 H 2.992 0.030 2 36 9 9 ARG C C 174.910 0.300 1 37 10 10 ALA N N 122.000 0.300 1 38 10 10 ALA H H 9.200 0.030 1 39 10 10 ALA CA C 50.229 0.300 1 40 10 10 ALA HA H 5.143 0.030 1 41 10 10 ALA CB C 23.552 0.300 1 42 10 10 ALA HB H 1.140 0.030 1 43 10 10 ALA C C 173.920 0.300 1 44 11 11 LYS N N 121.984 0.300 1 45 11 11 LYS H H 8.962 0.030 1 46 11 11 LYS CA C 53.936 0.300 1 47 11 11 LYS HA H 5.043 0.030 1 48 11 11 LYS CB C 35.705 0.300 1 49 11 11 LYS HB2 H 1.472 0.030 2 50 11 11 LYS HB3 H 1.800 0.030 2 51 11 11 LYS CG C 24.673 0.300 1 52 11 11 LYS HG2 H 1.275 0.030 1 53 11 11 LYS HG3 H 1.275 0.030 1 54 11 11 LYS CD C 29.448 0.300 1 55 11 11 LYS HD2 H 1.725 0.030 2 56 11 11 LYS HD3 H 1.661 0.030 2 57 11 11 LYS CE C 41.809 0.300 1 58 11 11 LYS HE2 H 2.932 0.030 2 59 11 11 LYS HE3 H 2.867 0.030 2 60 11 11 LYS C C 176.193 0.300 1 61 12 12 ALA N N 128.384 0.300 1 62 12 12 ALA H H 8.974 0.030 1 63 12 12 ALA CA C 52.878 0.300 1 64 12 12 ALA HA H 4.271 0.030 1 65 12 12 ALA CB C 21.024 0.300 1 66 12 12 ALA HB H 1.390 0.030 1 67 12 12 ALA C C 179.524 0.300 1 68 13 13 LEU N N 126.125 0.300 1 69 13 13 LEU H H 9.490 0.030 1 70 13 13 LEU CA C 55.697 0.300 1 71 13 13 LEU HA H 4.258 0.030 1 72 13 13 LEU CB C 43.073 0.300 1 73 13 13 LEU HB2 H 1.566 0.030 1 74 13 13 LEU HB3 H 1.566 0.030 1 75 13 13 LEU CG C 27.007 0.300 1 76 13 13 LEU HG H 1.565 0.030 1 77 13 13 LEU CD1 C 25.461 0.300 2 78 13 13 LEU HD1 H 0.833 0.030 1 79 13 13 LEU CD2 C 22.153 0.300 2 80 13 13 LEU HD2 H 0.864 0.030 1 81 13 13 LEU C C 175.705 0.300 1 82 14 14 LEU N N 116.229 0.300 1 83 14 14 LEU H H 7.638 0.030 1 84 14 14 LEU CA C 53.715 0.300 1 85 14 14 LEU HA H 4.436 0.030 1 86 14 14 LEU CB C 45.286 0.300 1 87 14 14 LEU HB2 H 1.735 0.030 2 88 14 14 LEU HB3 H 1.465 0.030 2 89 14 14 LEU CG C 26.551 0.300 1 90 14 14 LEU HG H 1.430 0.030 1 91 14 14 LEU CD1 C 25.072 0.300 2 92 14 14 LEU HD1 H 0.428 0.030 1 93 14 14 LEU CD2 C 25.061 0.300 2 94 14 14 LEU HD2 H 0.695 0.030 1 95 14 14 LEU C C 173.987 0.300 1 96 15 15 ASP N N 116.528 0.300 1 97 15 15 ASP H H 8.047 0.030 1 98 15 15 ASP CA C 54.712 0.300 1 99 15 15 ASP HA H 4.628 0.030 1 100 15 15 ASP CB C 41.437 0.300 1 101 15 15 ASP HB2 H 2.615 0.030 1 102 15 15 ASP HB3 H 2.615 0.030 1 103 16 16 PHE N N 123.405 0.300 1 104 16 16 PHE H H 8.414 0.030 1 105 16 16 PHE CA C 56.555 0.300 1 106 16 16 PHE HA H 4.576 0.030 1 107 16 16 PHE CB C 41.647 0.300 1 108 16 16 PHE HB2 H 1.243 0.030 2 109 16 16 PHE HB3 H 2.210 0.030 2 110 16 16 PHE CD1 C 132.478 0.300 1 111 16 16 PHE HD1 H 7.050 0.030 1 112 16 16 PHE CD2 C 132.478 0.300 1 113 16 16 PHE HD2 H 7.050 0.030 1 114 16 16 PHE CE1 C 131.081 0.300 1 115 16 16 PHE HE1 H 7.204 0.030 1 116 16 16 PHE CE2 C 131.081 0.300 1 117 16 16 PHE HE2 H 7.204 0.030 1 118 16 16 PHE CZ C 129.508 0.300 1 119 16 16 PHE HZ H 7.081 0.030 1 120 17 17 GLU N N 127.173 0.300 1 121 17 17 GLU H H 7.775 0.030 1 122 17 17 GLU CA C 54.469 0.300 1 123 17 17 GLU HA H 4.025 0.030 1 124 17 17 GLU CB C 30.119 0.300 1 125 17 17 GLU HB2 H 1.570 0.030 1 126 17 17 GLU HB3 H 1.570 0.030 1 127 17 17 GLU CG C 35.980 0.300 1 128 17 17 GLU HG2 H 2.010 0.030 2 129 17 17 GLU HG3 H 1.888 0.030 2 130 17 17 GLU C C 174.327 0.300 1 131 18 18 ARG N N 123.112 0.300 1 132 18 18 ARG H H 7.721 0.030 1 133 18 18 ARG CA C 55.738 0.300 1 134 18 18 ARG HA H 3.665 0.030 1 135 18 18 ARG CB C 30.846 0.300 1 136 18 18 ARG HB2 H 1.643 0.030 2 137 18 18 ARG HB3 H 1.404 0.030 2 138 18 18 ARG CG C 26.253 0.300 1 139 18 18 ARG HG2 H 1.472 0.030 2 140 18 18 ARG HG3 H 1.366 0.030 2 141 18 18 ARG CD C 44.223 0.300 1 142 18 18 ARG HD2 H 3.194 0.030 2 143 18 18 ARG HD3 H 3.101 0.030 2 144 18 18 ARG C C 175.954 0.300 1 145 19 19 HIS N N 121.992 0.300 1 146 19 19 HIS H H 9.200 0.030 1 147 19 19 HIS CA C 56.774 0.300 1 148 19 19 HIS HA H 4.612 0.030 1 149 19 19 HIS CB C 30.061 0.300 1 150 19 19 HIS HB2 H 3.182 0.030 2 151 19 19 HIS HB3 H 3.318 0.030 2 152 19 19 HIS CD2 C 119.957 0.300 1 153 19 19 HIS HD2 H 7.200 0.030 1 154 19 19 HIS CE1 C 136.307 0.300 1 155 19 19 HIS HE1 H 8.267 0.030 1 156 19 19 HIS C C 174.151 0.300 1 157 20 20 ASP N N 119.946 0.300 1 158 20 20 ASP H H 8.160 0.030 1 159 20 20 ASP CA C 53.371 0.300 1 160 20 20 ASP HA H 4.785 0.030 1 161 20 20 ASP CB C 43.492 0.300 1 162 20 20 ASP HB2 H 2.815 0.030 2 163 20 20 ASP HB3 H 2.703 0.030 2 164 20 20 ASP C C 176.571 0.300 1 165 21 21 ASP N N 119.329 0.300 1 166 21 21 ASP H H 8.686 0.030 1 167 21 21 ASP CA C 56.641 0.300 1 168 21 21 ASP HA H 4.439 0.030 1 169 21 21 ASP CB C 40.977 0.300 1 170 21 21 ASP HB2 H 2.778 0.030 2 171 21 21 ASP HB3 H 2.666 0.030 2 172 21 21 ASP C C 176.619 0.300 1 173 22 22 ASP N N 116.501 0.300 1 174 22 22 ASP H H 8.702 0.030 1 175 22 22 ASP CA C 54.535 0.300 1 176 22 22 ASP HA H 4.769 0.030 1 177 22 22 ASP CB C 40.833 0.300 1 178 22 22 ASP HB2 H 2.684 0.030 2 179 22 22 ASP HB3 H 2.883 0.030 2 180 22 22 ASP C C 176.139 0.300 1 181 23 23 GLU N N 119.696 0.300 1 182 23 23 GLU H H 7.540 0.030 1 183 23 23 GLU CA C 55.398 0.300 1 184 23 23 GLU HA H 4.519 0.030 1 185 23 23 GLU CB C 32.584 0.300 1 186 23 23 GLU HB2 H 2.181 0.030 2 187 23 23 GLU HB3 H 1.905 0.030 2 188 23 23 GLU CG C 36.867 0.300 1 189 23 23 GLU HG2 H 2.218 0.030 2 190 23 23 GLU HG3 H 1.848 0.030 2 191 23 23 GLU C C 175.760 0.300 1 192 24 24 LEU N N 125.257 0.300 1 193 24 24 LEU H H 8.766 0.030 1 194 24 24 LEU CA C 53.525 0.300 1 195 24 24 LEU HA H 4.410 0.030 1 196 24 24 LEU CB C 44.685 0.300 1 197 24 24 LEU HB2 H 1.919 0.030 2 198 24 24 LEU HB3 H 0.962 0.030 2 199 24 24 LEU CG C 26.698 0.300 1 200 24 24 LEU HG H 1.712 0.030 1 201 24 24 LEU CD1 C 23.947 0.300 2 202 24 24 LEU HD1 H 0.952 0.030 1 203 24 24 LEU CD2 C 26.317 0.300 2 204 24 24 LEU HD2 H 0.758 0.030 1 205 24 24 LEU C C 173.987 0.300 1 206 25 25 GLY N N 107.345 0.300 1 207 25 25 GLY H H 7.584 0.030 1 208 25 25 GLY CA C 44.096 0.300 1 209 25 25 GLY HA2 H 3.361 0.030 2 210 25 25 GLY HA3 H 4.260 0.030 2 211 25 25 GLY C C 173.720 0.300 1 212 26 26 PHE N N 114.043 0.300 1 213 26 26 PHE H H 8.330 0.030 1 214 26 26 PHE CA C 56.440 0.300 1 215 26 26 PHE HA H 4.749 0.030 1 216 26 26 PHE CB C 40.494 0.300 1 217 26 26 PHE HB2 H 3.315 0.030 2 218 26 26 PHE HB3 H 3.173 0.030 2 219 26 26 PHE CD1 C 133.212 0.300 1 220 26 26 PHE HD1 H 6.738 0.030 1 221 26 26 PHE CD2 C 133.212 0.300 1 222 26 26 PHE HD2 H 6.738 0.030 1 223 26 26 PHE CE1 C 131.179 0.300 1 224 26 26 PHE HE1 H 7.020 0.030 1 225 26 26 PHE CE2 C 131.179 0.300 1 226 26 26 PHE HE2 H 7.020 0.030 1 227 26 26 PHE CZ C 128.146 0.300 1 228 26 26 PHE HZ H 6.765 0.030 1 229 26 26 PHE C C 174.820 0.300 1 230 27 27 ARG N N 120.928 0.300 1 231 27 27 ARG H H 9.597 0.030 1 232 27 27 ARG CA C 53.054 0.300 1 233 27 27 ARG HA H 4.974 0.030 1 234 27 27 ARG CB C 32.687 0.300 1 235 27 27 ARG HB2 H 1.753 0.030 2 236 27 27 ARG HB3 H 1.824 0.030 2 237 27 27 ARG CG C 26.872 0.300 1 238 27 27 ARG HG2 H 1.567 0.030 2 239 27 27 ARG HG3 H 1.699 0.030 2 240 27 27 ARG CD C 43.047 0.300 1 241 27 27 ARG HD2 H 3.160 0.030 1 242 27 27 ARG HD3 H 3.160 0.030 1 243 27 27 ARG C C 175.511 0.300 1 244 28 28 LYS N N 120.682 0.300 1 245 28 28 LYS H H 8.922 0.030 1 246 28 28 LYS CA C 59.064 0.300 1 247 28 28 LYS HA H 3.220 0.030 1 248 28 28 LYS CB C 32.826 0.300 1 249 28 28 LYS HB2 H 1.610 0.030 2 250 28 28 LYS HB3 H 1.466 0.030 2 251 28 28 LYS CG C 24.820 0.300 1 252 28 28 LYS HG2 H 1.201 0.030 2 253 28 28 LYS HG3 H 1.141 0.030 2 254 28 28 LYS CD C 29.758 0.300 1 255 28 28 LYS HD2 H 1.681 0.030 1 256 28 28 LYS HD3 H 1.681 0.030 1 257 28 28 LYS CE C 42.138 0.300 1 258 28 28 LYS HE2 H 3.018 0.030 1 259 28 28 LYS HE3 H 3.018 0.030 1 260 28 28 LYS C C 177.019 0.300 1 261 29 29 ASN N N 117.470 0.300 1 262 29 29 ASN H H 8.728 0.030 1 263 29 29 ASN CA C 56.477 0.300 1 264 29 29 ASN HA H 4.148 0.030 1 265 29 29 ASN CB C 37.170 0.300 1 266 29 29 ASN HB2 H 2.964 0.030 2 267 29 29 ASN HB3 H 3.576 0.030 2 268 29 29 ASN ND2 N 114.528 0.300 1 269 29 29 ASN HD21 H 7.717 0.030 2 270 29 29 ASN HD22 H 7.095 0.030 2 271 29 29 ASN C C 174.716 0.300 1 272 30 30 ASP N N 122.549 0.300 1 273 30 30 ASP H H 8.527 0.030 1 274 30 30 ASP CA C 56.167 0.300 1 275 30 30 ASP HA H 4.596 0.030 1 276 30 30 ASP CB C 41.797 0.300 1 277 30 30 ASP HB2 H 2.893 0.030 2 278 30 30 ASP HB3 H 2.406 0.030 2 279 30 30 ASP C C 175.177 0.300 1 280 31 31 ILE N N 119.187 0.300 1 281 31 31 ILE H H 8.267 0.030 1 282 31 31 ILE CA C 59.191 0.300 1 283 31 31 ILE HA H 4.819 0.030 1 284 31 31 ILE CB C 36.702 0.300 1 285 31 31 ILE HB H 1.924 0.030 1 286 31 31 ILE CG1 C 26.828 0.300 1 287 31 31 ILE HG12 H 1.557 0.030 2 288 31 31 ILE HG13 H 1.283 0.030 2 289 31 31 ILE CG2 C 17.724 0.300 1 290 31 31 ILE HG2 H 0.745 0.030 1 291 31 31 ILE CD1 C 10.902 0.300 1 292 31 31 ILE HD1 H 0.746 0.030 1 293 31 31 ILE C C 175.437 0.300 1 294 32 32 ILE N N 129.566 0.300 1 295 32 32 ILE H H 9.247 0.030 1 296 32 32 ILE CA C 60.211 0.300 1 297 32 32 ILE HA H 4.140 0.030 1 298 32 32 ILE CB C 41.978 0.300 1 299 32 32 ILE HB H 1.291 0.030 1 300 32 32 ILE CG1 C 28.972 0.300 1 301 32 32 ILE HG12 H 0.895 0.030 2 302 32 32 ILE HG13 H 0.570 0.030 2 303 32 32 ILE CG2 C 18.802 0.300 1 304 32 32 ILE HG2 H 0.586 0.030 1 305 32 32 ILE CD1 C 14.460 0.300 1 306 32 32 ILE HD1 H -0.265 0.030 1 307 32 32 ILE C C 176.197 0.300 1 308 33 33 THR N N 123.061 0.300 1 309 33 33 THR H H 8.741 0.030 1 310 33 33 THR CA C 63.117 0.300 1 311 33 33 THR HA H 4.583 0.030 1 312 33 33 THR CB C 69.626 0.300 1 313 33 33 THR HB H 4.199 0.030 1 314 33 33 THR CG2 C 21.370 0.300 1 315 33 33 THR HG2 H 1.134 0.030 1 316 33 33 THR C C 174.011 0.300 1 317 34 34 ILE N N 128.281 0.300 1 318 34 34 ILE H H 9.110 0.030 1 319 34 34 ILE CA C 61.566 0.300 1 320 34 34 ILE HA H 4.117 0.030 1 321 34 34 ILE CB C 36.785 0.300 1 322 34 34 ILE HB H 1.816 0.030 1 323 34 34 ILE CG1 C 27.452 0.300 1 324 34 34 ILE HG12 H 1.402 0.030 2 325 34 34 ILE HG13 H 1.184 0.030 2 326 34 34 ILE CG2 C 17.683 0.300 1 327 34 34 ILE HG2 H 0.536 0.030 1 328 34 34 ILE CD1 C 12.798 0.300 1 329 34 34 ILE HD1 H 0.761 0.030 1 330 34 34 ILE C C 175.420 0.300 1 331 35 35 ILE N N 128.859 0.300 1 332 35 35 ILE H H 9.359 0.030 1 333 35 35 ILE CA C 60.949 0.300 1 334 35 35 ILE HA H 4.224 0.030 1 335 35 35 ILE CB C 38.186 0.300 1 336 35 35 ILE HB H 1.660 0.030 1 337 35 35 ILE CG1 C 27.234 0.300 1 338 35 35 ILE HG12 H 1.349 0.030 2 339 35 35 ILE HG13 H 1.245 0.030 2 340 35 35 ILE CG2 C 16.832 0.300 1 341 35 35 ILE HG2 H 0.846 0.030 1 342 35 35 ILE CD1 C 10.624 0.300 1 343 35 35 ILE HD1 H 0.722 0.030 1 344 35 35 ILE C C 176.253 0.300 1 345 36 36 SER N N 111.665 0.300 1 346 36 36 SER H H 7.882 0.030 1 347 36 36 SER CA C 57.605 0.300 1 348 36 36 SER HA H 4.525 0.030 1 349 36 36 SER CB C 64.435 0.300 1 350 36 36 SER HB2 H 3.806 0.030 2 351 36 36 SER HB3 H 3.669 0.030 2 352 36 36 SER C C 172.845 0.300 1 353 37 37 GLN N N 116.906 0.300 1 354 37 37 GLN H H 8.055 0.030 1 355 37 37 GLN CA C 54.718 0.300 1 356 37 37 GLN HA H 4.420 0.030 1 357 37 37 GLN CB C 29.381 0.300 1 358 37 37 GLN HB2 H 1.539 0.030 1 359 37 37 GLN HB3 H 1.539 0.030 1 360 37 37 GLN CG C 33.389 0.300 1 361 37 37 GLN HG2 H 0.763 0.030 2 362 37 37 GLN HG3 H 1.458 0.030 2 363 37 37 GLN NE2 N 110.030 0.300 1 364 37 37 GLN HE21 H 6.572 0.030 2 365 37 37 GLN HE22 H 5.520 0.030 2 366 37 37 GLN C C 175.080 0.300 1 367 38 38 LYS N N 124.909 0.300 1 368 38 38 LYS H H 8.046 0.030 1 369 38 38 LYS CA C 58.998 0.300 1 370 38 38 LYS HA H 4.076 0.030 1 371 38 38 LYS CB C 33.116 0.300 1 372 38 38 LYS HB2 H 1.739 0.030 1 373 38 38 LYS HB3 H 1.739 0.030 1 374 38 38 LYS CG C 24.750 0.300 1 375 38 38 LYS HG2 H 1.384 0.030 2 376 38 38 LYS HG3 H 1.272 0.030 2 377 38 38 LYS CD C 29.366 0.300 1 378 38 38 LYS HD2 H 1.480 0.030 2 379 38 38 LYS HD3 H 1.378 0.030 2 380 38 38 LYS CE C 41.895 0.300 1 381 38 38 LYS HE2 H 2.689 0.030 1 382 38 38 LYS HE3 H 2.689 0.030 1 383 38 38 LYS C C 176.508 0.300 1 384 39 39 ASP N N 117.133 0.300 1 385 39 39 ASP H H 8.296 0.030 1 386 39 39 ASP CA C 53.294 0.300 1 387 39 39 ASP HA H 4.558 0.030 1 388 39 39 ASP CB C 41.847 0.300 1 389 39 39 ASP HB2 H 3.132 0.030 2 390 39 39 ASP HB3 H 2.907 0.030 2 391 39 39 ASP C C 175.201 0.300 1 392 40 40 GLU N N 116.223 0.300 1 393 40 40 GLU H H 8.564 0.030 1 394 40 40 GLU CA C 58.748 0.300 1 395 40 40 GLU HA H 4.088 0.030 1 396 40 40 GLU CB C 29.696 0.300 1 397 40 40 GLU HB2 H 1.606 0.030 2 398 40 40 GLU HB3 H 1.731 0.030 2 399 40 40 GLU CG C 35.713 0.300 1 400 40 40 GLU HG2 H 1.922 0.030 2 401 40 40 GLU HG3 H 1.809 0.030 2 402 40 40 GLU C C 176.367 0.300 1 403 41 41 HIS N N 114.612 0.300 1 404 41 41 HIS H H 8.383 0.030 1 405 41 41 HIS CA C 56.873 0.300 1 406 41 41 HIS HA H 4.613 0.030 1 407 41 41 HIS CB C 32.910 0.300 1 408 41 41 HIS HB2 H 3.116 0.030 2 409 41 41 HIS HB3 H 3.038 0.030 2 410 41 41 HIS CD2 C 119.601 0.300 1 411 41 41 HIS HD2 H 7.016 0.030 1 412 41 41 HIS CE1 C 138.544 0.300 1 413 41 41 HIS HE1 H 7.756 0.030 1 414 41 41 HIS C C 176.755 0.300 1 415 42 42 CYS N N 122.290 0.300 1 416 42 42 CYS H H 8.337 0.030 1 417 42 42 CYS CA C 58.168 0.300 1 418 42 42 CYS HA H 4.885 0.030 1 419 42 42 CYS CB C 29.227 0.300 1 420 42 42 CYS HB2 H 2.686 0.030 2 421 42 42 CYS HB3 H 2.609 0.030 2 422 42 42 CYS C C 172.892 0.300 1 423 43 43 TRP N N 127.114 0.300 1 424 43 43 TRP H H 8.333 0.030 1 425 43 43 TRP CA C 53.262 0.300 1 426 43 43 TRP HA H 5.307 0.030 1 427 43 43 TRP CB C 33.323 0.300 1 428 43 43 TRP HB2 H 2.984 0.030 2 429 43 43 TRP HB3 H 2.247 0.030 2 430 43 43 TRP CD1 C 124.581 0.300 1 431 43 43 TRP HD1 H 7.290 0.030 1 432 43 43 TRP NE1 N 128.512 0.300 1 433 43 43 TRP HE1 H 9.565 0.030 1 434 43 43 TRP CE3 C 119.794 0.300 1 435 43 43 TRP HE3 H 7.404 0.030 1 436 43 43 TRP CZ2 C 115.217 0.300 1 437 43 43 TRP HZ2 H 7.485 0.030 1 438 43 43 TRP CZ3 C 121.455 0.300 1 439 43 43 TRP HZ3 H 6.783 0.030 1 440 43 43 TRP CH2 C 124.740 0.300 1 441 43 43 TRP HH2 H 7.173 0.030 1 442 43 43 TRP C C 173.064 0.300 1 443 44 44 VAL N N 117.650 0.300 1 444 44 44 VAL H H 8.591 0.030 1 445 44 44 VAL CA C 61.801 0.300 1 446 44 44 VAL HA H 4.739 0.030 1 447 44 44 VAL CB C 32.962 0.300 1 448 44 44 VAL HB H 1.848 0.030 1 449 44 44 VAL CG1 C 20.869 0.300 2 450 44 44 VAL HG1 H 0.865 0.030 1 451 44 44 VAL CG2 C 21.255 0.300 2 452 44 44 VAL HG2 H 0.646 0.030 1 453 44 44 VAL C C 176.980 0.300 1 454 45 45 GLY N N 115.010 0.300 1 455 45 45 GLY H H 9.469 0.030 1 456 45 45 GLY CA C 45.159 0.300 1 457 45 45 GLY HA2 H 3.769 0.030 2 458 45 45 GLY HA3 H 5.478 0.030 2 459 45 45 GLY C C 170.022 0.300 1 460 46 46 GLU N N 118.202 0.300 1 461 46 46 GLU H H 9.072 0.030 1 462 46 46 GLU CA C 54.226 0.300 1 463 46 46 GLU HA H 5.720 0.030 1 464 46 46 GLU CB C 34.724 0.300 1 465 46 46 GLU HB2 H 1.948 0.030 2 466 46 46 GLU HB3 H 1.851 0.030 2 467 46 46 GLU CG C 36.867 0.300 1 468 46 46 GLU HG2 H 2.125 0.030 1 469 46 46 GLU HG3 H 2.125 0.030 1 470 46 46 GLU C C 174.843 0.300 1 471 47 47 LEU N N 125.182 0.300 1 472 47 47 LEU H H 8.880 0.030 1 473 47 47 LEU CA C 55.064 0.300 1 474 47 47 LEU HA H 4.711 0.030 1 475 47 47 LEU CB C 45.900 0.300 1 476 47 47 LEU HB2 H 1.492 0.030 2 477 47 47 LEU HB3 H 1.890 0.030 2 478 47 47 LEU CG C 27.620 0.300 1 479 47 47 LEU HG H 1.498 0.030 1 480 47 47 LEU CD1 C 23.418 0.300 2 481 47 47 LEU HD1 H 0.989 0.030 1 482 47 47 LEU CD2 C 27.057 0.300 2 483 47 47 LEU HD2 H 1.068 0.030 1 484 47 47 LEU C C 176.130 0.300 1 485 48 48 ASN N N 127.515 0.300 1 486 48 48 ASN H H 9.796 0.030 1 487 48 48 ASN CA C 54.407 0.300 1 488 48 48 ASN HA H 4.457 0.030 1 489 48 48 ASN CB C 37.546 0.300 1 490 48 48 ASN HB2 H 2.827 0.030 2 491 48 48 ASN HB3 H 3.107 0.030 2 492 48 48 ASN ND2 N 114.046 0.300 1 493 48 48 ASN HD21 H 7.798 0.030 2 494 48 48 ASN HD22 H 7.116 0.030 2 495 48 48 ASN C C 174.935 0.300 1 496 49 49 GLY N N 104.068 0.300 1 497 49 49 GLY H H 8.891 0.030 1 498 49 49 GLY CA C 45.471 0.300 1 499 49 49 GLY HA2 H 3.621 0.030 2 500 49 49 GLY HA3 H 4.230 0.030 2 501 49 49 GLY C C 173.671 0.300 1 502 50 50 LEU N N 122.996 0.300 1 503 50 50 LEU H H 7.818 0.030 1 504 50 50 LEU CA C 53.971 0.300 1 505 50 50 LEU HA H 4.727 0.030 1 506 50 50 LEU CB C 43.482 0.300 1 507 50 50 LEU HB2 H 1.846 0.030 2 508 50 50 LEU HB3 H 1.603 0.030 2 509 50 50 LEU CG C 27.305 0.300 1 510 50 50 LEU HG H 1.678 0.030 1 511 50 50 LEU CD1 C 25.164 0.300 2 512 50 50 LEU HD1 H 1.022 0.030 1 513 50 50 LEU CD2 C 23.447 0.300 2 514 50 50 LEU HD2 H 0.987 0.030 1 515 50 50 LEU C C 174.930 0.300 1 516 51 51 ARG N N 119.072 0.300 1 517 51 51 ARG H H 8.410 0.030 1 518 51 51 ARG CA C 54.020 0.300 1 519 51 51 ARG HA H 5.843 0.030 1 520 51 51 ARG CB C 34.724 0.300 1 521 51 51 ARG HB2 H 1.754 0.030 1 522 51 51 ARG HB3 H 1.754 0.030 1 523 51 51 ARG CG C 27.495 0.300 1 524 51 51 ARG HG2 H 1.654 0.030 2 525 51 51 ARG HG3 H 1.586 0.030 2 526 51 51 ARG CD C 43.811 0.300 1 527 51 51 ARG HD2 H 3.133 0.030 2 528 51 51 ARG HD3 H 3.085 0.030 2 529 51 51 ARG C C 176.707 0.300 1 530 52 52 GLY N N 109.058 0.300 1 531 52 52 GLY H H 8.661 0.030 1 532 52 52 GLY CA C 45.683 0.300 1 533 52 52 GLY HA2 H 3.975 0.030 2 534 52 52 GLY HA3 H 4.248 0.030 2 535 52 52 GLY C C 171.261 0.300 1 536 53 53 TRP N N 119.558 0.300 1 537 53 53 TRP H H 8.825 0.030 1 538 53 53 TRP CA C 55.402 0.300 1 539 53 53 TRP HA H 6.222 0.030 1 540 53 53 TRP CB C 31.856 0.300 1 541 53 53 TRP HB2 H 3.377 0.030 2 542 53 53 TRP HB3 H 3.145 0.030 2 543 53 53 TRP CD1 C 127.629 0.300 1 544 53 53 TRP HD1 H 7.244 0.030 1 545 53 53 TRP NE1 N 130.284 0.300 1 546 53 53 TRP HE1 H 10.338 0.030 1 547 53 53 TRP CE3 C 120.880 0.300 1 548 53 53 TRP HE3 H 7.377 0.030 1 549 53 53 TRP CZ2 C 115.327 0.300 1 550 53 53 TRP HZ2 H 7.578 0.030 1 551 53 53 TRP CZ3 C 121.552 0.300 1 552 53 53 TRP HZ3 H 6.958 0.030 1 553 53 53 TRP CH2 C 124.581 0.300 1 554 53 53 TRP HH2 H 7.216 0.030 1 555 53 53 TRP C C 176.100 0.300 1 556 54 54 PHE N N 115.426 0.300 1 557 54 54 PHE H H 8.976 0.030 1 558 54 54 PHE CA C 55.805 0.300 1 559 54 54 PHE HA H 4.833 0.030 1 560 54 54 PHE CB C 39.295 0.300 1 561 54 54 PHE HB2 H 3.551 0.030 2 562 54 54 PHE HB3 H 2.647 0.030 2 563 54 54 PHE CD1 C 133.918 0.300 1 564 54 54 PHE HD1 H 7.166 0.030 1 565 54 54 PHE CD2 C 133.918 0.300 1 566 54 54 PHE HD2 H 7.166 0.030 1 567 54 54 PHE CE1 C 129.978 0.300 1 568 54 54 PHE HE1 H 7.012 0.030 1 569 54 54 PHE CE2 C 129.978 0.300 1 570 54 54 PHE HE2 H 7.012 0.030 1 571 54 54 PHE CZ C 127.864 0.300 1 572 54 54 PHE HZ H 7.081 0.030 1 573 54 54 PHE C C 171.898 0.300 1 574 55 55 PRO CA C 61.963 0.300 1 575 55 55 PRO HA H 4.654 0.030 1 576 55 55 PRO CB C 31.179 0.300 1 577 55 55 PRO HB2 H 2.043 0.030 2 578 55 55 PRO HB3 H 1.286 0.030 2 579 55 55 PRO CG C 28.126 0.300 1 580 55 55 PRO HG2 H 1.348 0.030 2 581 55 55 PRO HG3 H 1.500 0.030 2 582 55 55 PRO CD C 51.080 0.300 1 583 55 55 PRO HD2 H 3.011 0.030 2 584 55 55 PRO HD3 H 2.391 0.030 2 585 55 55 PRO C C 177.168 0.300 1 586 56 56 ALA N N 130.132 0.300 1 587 56 56 ALA H H 7.818 0.030 1 588 56 56 ALA CA C 55.045 0.300 1 589 56 56 ALA HA H 3.032 0.030 1 590 56 56 ALA CB C 16.542 0.300 1 591 56 56 ALA HB H -0.226 0.030 1 592 56 56 ALA C C 178.595 0.300 1 593 57 57 LYS N N 110.974 0.300 1 594 57 57 LYS H H 8.024 0.030 1 595 57 57 LYS CA C 57.118 0.300 1 596 57 57 LYS HA H 4.213 0.030 1 597 57 57 LYS CB C 31.641 0.300 1 598 57 57 LYS HB2 H 1.901 0.030 2 599 57 57 LYS HB3 H 1.758 0.030 2 600 57 57 LYS CG C 24.285 0.300 1 601 57 57 LYS HG2 H 1.257 0.030 2 602 57 57 LYS HG3 H 1.119 0.030 2 603 57 57 LYS CD C 29.317 0.300 1 604 57 57 LYS HD2 H 1.622 0.030 1 605 57 57 LYS HD3 H 1.622 0.030 1 606 57 57 LYS CE C 42.102 0.300 1 607 57 57 LYS HE2 H 2.898 0.030 2 608 57 57 LYS HE3 H 2.869 0.030 2 609 57 57 LYS C C 177.053 0.300 1 610 58 58 PHE N N 118.768 0.300 1 611 58 58 PHE H H 7.911 0.030 1 612 58 58 PHE CA C 56.933 0.300 1 613 58 58 PHE HA H 4.739 0.030 1 614 58 58 PHE CB C 38.643 0.300 1 615 58 58 PHE HB2 H 3.754 0.030 2 616 58 58 PHE HB3 H 3.478 0.030 2 617 58 58 PHE CD1 C 130.123 0.300 1 618 58 58 PHE HD1 H 7.039 0.030 1 619 58 58 PHE CD2 C 130.123 0.300 1 620 58 58 PHE HD2 H 7.039 0.030 1 621 58 58 PHE CE1 C 131.893 0.300 1 622 58 58 PHE HE1 H 7.435 0.030 1 623 58 58 PHE CE2 C 131.893 0.300 1 624 58 58 PHE HE2 H 7.435 0.030 1 625 58 58 PHE CZ C 129.748 0.300 1 626 58 58 PHE HZ H 7.427 0.030 1 627 58 58 PHE C C 174.837 0.300 1 628 59 59 VAL N N 109.843 0.300 1 629 59 59 VAL H H 7.796 0.030 1 630 59 59 VAL CA C 58.332 0.300 1 631 59 59 VAL HA H 5.333 0.030 1 632 59 59 VAL CB C 35.704 0.300 1 633 59 59 VAL HB H 1.740 0.030 1 634 59 59 VAL CG1 C 21.549 0.300 2 635 59 59 VAL HG1 H 0.347 0.030 1 636 59 59 VAL CG2 C 19.364 0.300 2 637 59 59 VAL HG2 H 0.991 0.030 1 638 59 59 VAL C C 173.452 0.300 1 639 60 60 GLU N N 119.932 0.300 1 640 60 60 GLU H H 8.699 0.030 1 641 60 60 GLU CA C 54.202 0.300 1 642 60 60 GLU HA H 4.863 0.030 1 643 60 60 GLU CB C 33.573 0.300 1 644 60 60 GLU HB2 H 1.991 0.030 1 645 60 60 GLU HB3 H 1.991 0.030 1 646 60 60 GLU CG C 36.125 0.300 1 647 60 60 GLU HG2 H 2.136 0.030 2 648 60 60 GLU HG3 H 2.285 0.030 2 649 60 60 GLU C C 176.100 0.300 1 650 61 61 VAL N N 127.661 0.300 1 651 61 61 VAL H H 9.107 0.030 1 652 61 61 VAL CA C 64.612 0.300 1 653 61 61 VAL HA H 3.957 0.030 1 654 61 61 VAL CB C 31.875 0.300 1 655 61 61 VAL HB H 2.101 0.030 1 656 61 61 VAL CG1 C 22.854 0.300 2 657 61 61 VAL HG1 H 1.174 0.030 1 658 61 61 VAL CG2 C 21.544 0.300 2 659 61 61 VAL HG2 H 1.039 0.030 1 660 61 61 VAL C C 176.294 0.300 1 661 62 62 LEU N N 128.512 0.300 1 662 62 62 LEU H H 8.777 0.030 1 663 62 62 LEU CA C 54.677 0.300 1 664 62 62 LEU HA H 4.456 0.030 1 665 62 62 LEU CB C 42.548 0.300 1 666 62 62 LEU HB2 H 1.650 0.030 2 667 62 62 LEU HB3 H 1.453 0.030 2 668 62 62 LEU CG C 27.182 0.300 1 669 62 62 LEU HG H 1.638 0.030 1 670 62 62 LEU CD1 C 25.709 0.300 2 671 62 62 LEU HD1 H 0.798 0.030 1 672 62 62 LEU CD2 C 22.914 0.300 2 673 62 62 LEU HD2 H 0.859 0.030 1 674 62 62 LEU C C 176.888 0.300 1 675 63 63 ASP N N 122.605 0.300 1 676 63 63 ASP H H 8.588 0.030 1 677 63 63 ASP CA C 53.971 0.300 1 678 63 63 ASP HA H 4.643 0.030 1 679 63 63 ASP CB C 41.629 0.300 1 680 63 63 ASP HB2 H 2.782 0.030 2 681 63 63 ASP HB3 H 2.701 0.030 2 682 63 63 ASP C C 176.460 0.300 1 683 64 64 GLU N N 122.614 0.300 1 684 64 64 GLU H H 8.634 0.030 1 685 64 64 GLU CA C 57.086 0.300 1 686 64 64 GLU HA H 4.158 0.030 1 687 64 64 GLU CB C 30.055 0.300 1 688 64 64 GLU HB2 H 2.066 0.030 2 689 64 64 GLU HB3 H 1.921 0.030 2 690 64 64 GLU CG C 36.577 0.300 1 691 64 64 GLU HG2 H 2.219 0.030 1 692 64 64 GLU HG3 H 2.219 0.030 1 693 64 64 GLU C C 176.801 0.300 1 694 65 65 ARG N N 120.526 0.300 1 695 65 65 ARG H H 8.416 0.030 1 696 65 65 ARG CA C 56.430 0.300 1 697 65 65 ARG HA H 4.323 0.030 1 698 65 65 ARG CB C 30.493 0.300 1 699 65 65 ARG HB2 H 1.912 0.030 2 700 65 65 ARG HB3 H 1.821 0.030 2 701 65 65 ARG CG C 27.221 0.300 1 702 65 65 ARG HG2 H 1.657 0.030 1 703 65 65 ARG HG3 H 1.657 0.030 1 704 65 65 ARG CD C 43.379 0.300 1 705 65 65 ARG HD2 H 3.213 0.030 2 706 65 65 ARG HD3 H 3.171 0.030 2 707 65 65 ARG C C 176.896 0.300 1 708 66 66 SER N N 116.214 0.300 1 709 66 66 SER H H 8.225 0.030 1 710 66 66 SER CA C 58.732 0.300 1 711 66 66 SER HA H 4.799 0.030 1 712 66 66 SER CB C 63.879 0.300 1 713 66 66 SER HB2 H 3.932 0.030 2 714 66 66 SER HB3 H 4.004 0.030 2 715 66 66 SER C C 175.225 0.300 1 716 67 67 LYS CA C 56.993 0.300 1 717 67 67 LYS HA H 4.270 0.030 1 718 67 67 LYS CB C 32.724 0.300 1 719 67 67 LYS HB2 H 1.819 0.030 2 720 67 67 LYS HB3 H 1.780 0.030 2 721 67 67 LYS CG C 24.750 0.300 1 722 67 67 LYS HG2 H 1.427 0.030 1 723 67 67 LYS HG3 H 1.427 0.030 1 724 67 67 LYS CD C 29.036 0.300 1 725 67 67 LYS HD2 H 1.679 0.030 1 726 67 67 LYS HD3 H 1.679 0.030 1 727 67 67 LYS CE C 42.114 0.300 1 728 67 67 LYS HE2 H 3.004 0.030 1 729 67 67 LYS HE3 H 3.004 0.030 1 730 68 68 GLU N N 120.561 0.300 1 731 68 68 GLU H H 8.417 0.030 1 732 68 68 GLU CA C 57.144 0.300 1 733 68 68 GLU HA H 4.193 0.030 1 734 68 68 GLU CB C 30.025 0.300 1 735 68 68 GLU HB2 H 1.942 0.030 2 736 68 68 GLU HB3 H 1.871 0.030 2 737 68 68 GLU CG C 36.383 0.300 1 738 68 68 GLU HG2 H 2.188 0.030 1 739 68 68 GLU HG3 H 2.188 0.030 1 740 68 68 GLU C C 176.828 0.300 1 741 69 69 TYR N N 120.399 0.300 1 742 69 69 TYR H H 8.027 0.030 1 743 69 69 TYR CA C 58.296 0.300 1 744 69 69 TYR HA H 4.504 0.030 1 745 69 69 TYR CB C 38.965 0.300 1 746 69 69 TYR HB2 H 2.958 0.030 2 747 69 69 TYR HB3 H 3.074 0.030 2 748 69 69 TYR CD1 C 133.225 0.300 1 749 69 69 TYR HD1 H 7.093 0.030 1 750 69 69 TYR CD2 C 133.225 0.300 1 751 69 69 TYR HD2 H 7.093 0.030 1 752 69 69 TYR CE1 C 118.258 0.300 1 753 69 69 TYR HE1 H 6.821 0.030 1 754 69 69 TYR CE2 C 118.258 0.300 1 755 69 69 TYR HE2 H 6.821 0.030 1 756 69 69 TYR C C 176.367 0.300 1 757 70 70 SER N N 117.031 0.300 1 758 70 70 SER H H 8.067 0.030 1 759 70 70 SER CA C 58.167 0.300 1 760 70 70 SER HA H 4.441 0.030 1 761 70 70 SER CB C 63.911 0.300 1 762 70 70 SER HB2 H 3.835 0.030 1 763 70 70 SER HB3 H 3.835 0.030 1 764 70 70 SER C C 174.448 0.300 1 765 71 71 ILE N N 122.402 0.300 1 766 71 71 ILE H H 8.083 0.030 1 767 71 71 ILE CA C 61.411 0.300 1 768 71 71 ILE HA H 4.161 0.030 1 769 71 71 ILE CB C 38.779 0.300 1 770 71 71 ILE HB H 1.876 0.030 1 771 71 71 ILE CG1 C 27.371 0.300 1 772 71 71 ILE HG12 H 1.478 0.030 2 773 71 71 ILE HG13 H 1.180 0.030 2 774 71 71 ILE CG2 C 17.478 0.300 1 775 71 71 ILE HG2 H 0.927 0.030 1 776 71 71 ILE CD1 C 13.127 0.300 1 777 71 71 ILE HD1 H 0.884 0.030 1 778 71 71 ILE C C 176.172 0.300 1 779 72 72 ALA N N 127.574 0.300 1 780 72 72 ALA H H 8.306 0.030 1 781 72 72 ALA CA C 52.631 0.300 1 782 72 72 ALA HA H 4.366 0.030 1 783 72 72 ALA CB C 19.242 0.300 1 784 72 72 ALA HB H 1.402 0.030 1 785 72 72 ALA C C 177.702 0.300 1 786 73 73 SER N N 115.199 0.300 1 787 73 73 SER H H 8.223 0.030 1 788 73 73 SER CA C 58.285 0.300 1 789 73 73 SER HA H 4.471 0.030 1 790 73 73 SER CB C 64.233 0.300 1 791 73 73 SER HB2 H 3.880 0.030 1 792 73 73 SER HB3 H 3.880 0.030 1 793 73 73 SER C C 174.639 0.300 1 794 74 74 GLY N N 110.616 0.300 1 795 74 74 GLY H H 8.185 0.030 1 796 74 74 GLY CA C 44.677 0.300 1 797 74 74 GLY HA2 H 4.171 0.030 2 798 74 74 GLY HA3 H 4.107 0.030 2 799 74 74 GLY C C 171.850 0.300 1 800 75 75 PRO CA C 63.266 0.300 1 801 75 75 PRO HA H 4.487 0.030 1 802 75 75 PRO CB C 32.196 0.300 1 803 75 75 PRO HB2 H 2.304 0.030 1 804 75 75 PRO HB3 H 2.304 0.030 1 805 75 75 PRO CG C 27.204 0.300 1 806 75 75 PRO HG2 H 2.027 0.030 1 807 75 75 PRO HG3 H 2.027 0.030 1 808 75 75 PRO CD C 49.839 0.300 1 809 75 75 PRO HD2 H 3.635 0.030 1 810 75 75 PRO HD3 H 3.635 0.030 1 811 76 76 SER N N 116.439 0.300 1 812 76 76 SER H H 8.562 0.030 1 813 76 76 SER CA C 58.747 0.300 1 814 76 76 SER CB C 64.105 0.300 1 815 76 76 SER HB2 H 4.075 0.030 2 stop_ save_