data_10315 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of Rho GTPase activating protein 21 from human ; _BMRB_accession_number 10315 _BMRB_flat_file_name bmr10315.str _Entry_type new _Submission_date 2009-03-11 _Accession_date 2009-03-11 _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 700 "13C chemical shifts" 524 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PH domain of Rho GTPase activating protein 21 from human ; _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 21' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH 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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GSSGSSGDAAKEGWLHFRPL VTDKGKRVGGSIRPWKQMYV VLRGHSLYLYKDKREQTTPS EEEQPISVNACLIDISYSET KRKNVFRLTTSDCECLFQAE DRDDMLAWIKTIQESSNLNS GPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 ALA 10 ALA 11 LYS 12 GLU 13 GLY 14 TRP 15 LEU 16 HIS 17 PHE 18 ARG 19 PRO 20 LEU 21 VAL 22 THR 23 ASP 24 LYS 25 GLY 26 LYS 27 ARG 28 VAL 29 GLY 30 GLY 31 SER 32 ILE 33 ARG 34 PRO 35 TRP 36 LYS 37 GLN 38 MET 39 TYR 40 VAL 41 VAL 42 LEU 43 ARG 44 GLY 45 HIS 46 SER 47 LEU 48 TYR 49 LEU 50 TYR 51 LYS 52 ASP 53 LYS 54 ARG 55 GLU 56 GLN 57 THR 58 THR 59 PRO 60 SER 61 GLU 62 GLU 63 GLU 64 GLN 65 PRO 66 ILE 67 SER 68 VAL 69 ASN 70 ALA 71 CYS 72 LEU 73 ILE 74 ASP 75 ILE 76 SER 77 TYR 78 SER 79 GLU 80 THR 81 LYS 82 ARG 83 LYS 84 ASN 85 VAL 86 PHE 87 ARG 88 LEU 89 THR 90 THR 91 SER 92 ASP 93 CYS 94 GLU 95 CYS 96 LEU 97 PHE 98 GLN 99 ALA 100 GLU 101 ASP 102 ARG 103 ASP 104 ASP 105 MET 106 LEU 107 ALA 108 TRP 109 ILE 110 LYS 111 THR 112 ILE 113 GLN 114 GLU 115 SER 116 SER 117 ASN 118 LEU 119 ASN 120 SER 121 GLY 122 PRO 123 SER 124 SER 125 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2DHJ "Solution Structure Of The Ph Domain Of Rho Gtpase Activating Protein 21 From Human" 100.00 125 100.00 100.00 6.67e-87 PDB 2J59 "Crystal Structure Of The Arf1:arhgap21-Arfbd Complex" 90.40 168 99.12 99.12 4.95e-78 DBJ BAA92662 "KIAA1424 protein [Homo sapiens]" 89.60 1944 100.00 100.00 2.21e-71 DBJ BAG59749 "unnamed protein product [Homo sapiens]" 90.40 907 99.12 99.12 1.01e-72 EMBL CAD39153 "hypothetical protein [Homo sapiens]" 90.40 1321 99.12 99.12 3.84e-72 EMBL CAD97787 "hypothetical protein [Homo sapiens]" 89.60 1004 100.00 100.00 1.62e-72 GB AAM22955 "Rho-GTPase activating protein 10 [Homo sapiens]" 89.60 1957 100.00 100.00 2.14e-71 GB EAW86122 "Rho GTPase activating protein 21 [Homo sapiens]" 89.60 1957 100.00 100.00 2.08e-71 GB EDL78791 "rCG55757, isoform CRA_b [Rattus norvegicus]" 65.60 989 97.56 100.00 6.95e-48 GB EDL78792 "rCG55757, isoform CRA_b [Rattus norvegicus]" 65.60 989 97.56 100.00 6.95e-48 GB EHH18940 "Rho-type GTPase-activating protein 21 [Macaca mulatta]" 89.60 1958 99.11 100.00 6.18e-71 REF NP_001178622 "rho GTPase-activating protein 21 [Rattus norvegicus]" 89.60 1952 97.32 99.11 1.27e-69 REF NP_001248214 "rho GTPase-activating protein 21 [Macaca mulatta]" 89.60 1948 99.11 100.00 5.78e-71 REF NP_065875 "rho GTPase-activating protein 21 [Homo sapiens]" 89.60 1958 100.00 100.00 2.06e-71 REF XP_002806993 "PREDICTED: LOW QUALITY PROTEIN: rho GTPase-activating protein 21 [Callithrix jacchus]" 89.60 1953 99.11 100.00 4.60e-71 REF XP_003269414 "PREDICTED: rho GTPase-activating protein 21 isoform X1 [Nomascus leucogenys]" 89.60 1958 99.11 99.11 1.49e-70 SP Q5T5U3 "RecName: Full=Rho GTPase-activating protein 21; AltName: Full=Rho GTPase-activating protein 10; AltName: Full=Rho-type GTPase-a" 89.60 1957 100.00 100.00 2.06e-71 TPG DAA23594 "TPA: Rho GTPase activating protein 21-like [Bos taurus]" 89.60 1980 100.00 100.00 1.96e-71 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' . . . . plasmid P051017-10 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 1.01 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . 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 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.932 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 'Guntert, 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 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 13C-separated NOESY' '3D 15N-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 'PH 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 HA H 4.462 0.030 1 2 6 6 SER HB2 H 3.899 0.030 1 3 6 6 SER HB3 H 3.899 0.030 1 4 6 6 SER C C 174.943 0.300 1 5 6 6 SER CA C 58.730 0.300 1 6 6 6 SER CB C 63.759 0.300 1 7 7 7 GLY H H 8.343 0.030 1 8 7 7 GLY HA2 H 3.939 0.030 1 9 7 7 GLY HA3 H 3.939 0.030 1 10 7 7 GLY C C 173.838 0.300 1 11 7 7 GLY CA C 45.217 0.300 1 12 7 7 GLY N N 110.546 0.300 1 13 8 8 ASP H H 8.156 0.030 1 14 8 8 ASP HA H 4.527 0.030 1 15 8 8 ASP HB2 H 2.610 0.030 2 16 8 8 ASP HB3 H 2.551 0.030 2 17 8 8 ASP C C 175.957 0.300 1 18 8 8 ASP CA C 54.161 0.300 1 19 8 8 ASP CB C 41.272 0.300 1 20 8 8 ASP N N 120.265 0.300 1 21 9 9 ALA H H 8.367 0.030 1 22 9 9 ALA HA H 4.386 0.030 1 23 9 9 ALA HB H 1.249 0.030 1 24 9 9 ALA C C 177.206 0.300 1 25 9 9 ALA CA C 52.026 0.300 1 26 9 9 ALA CB C 19.521 0.300 1 27 9 9 ALA N N 123.583 0.300 1 28 10 10 ALA H H 8.628 0.030 1 29 10 10 ALA HA H 4.229 0.030 1 30 10 10 ALA HB H 1.296 0.030 1 31 10 10 ALA C C 177.861 0.300 1 32 10 10 ALA CA C 53.614 0.300 1 33 10 10 ALA CB C 19.659 0.300 1 34 10 10 ALA N N 126.476 0.300 1 35 11 11 LYS H H 7.377 0.030 1 36 11 11 LYS HA H 4.057 0.030 1 37 11 11 LYS HB2 H 0.749 0.030 2 38 11 11 LYS HB3 H 1.458 0.030 2 39 11 11 LYS HD2 H -0.080 0.030 2 40 11 11 LYS HD3 H 0.897 0.030 2 41 11 11 LYS HE2 H 1.879 0.030 2 42 11 11 LYS HE3 H 1.072 0.030 2 43 11 11 LYS HG2 H 0.598 0.030 2 44 11 11 LYS HG3 H -0.183 0.030 2 45 11 11 LYS C C 172.184 0.300 1 46 11 11 LYS CA C 56.437 0.300 1 47 11 11 LYS CB C 35.270 0.300 1 48 11 11 LYS CD C 28.871 0.300 1 49 11 11 LYS CE C 40.656 0.300 1 50 11 11 LYS CG C 24.858 0.300 1 51 11 11 LYS N N 115.602 0.300 1 52 12 12 GLU H H 8.061 0.030 1 53 12 12 GLU HA H 5.886 0.030 1 54 12 12 GLU HB2 H 1.956 0.030 2 55 12 12 GLU HB3 H 2.115 0.030 2 56 12 12 GLU HG2 H 2.121 0.030 1 57 12 12 GLU HG3 H 2.121 0.030 1 58 12 12 GLU C C 175.121 0.300 1 59 12 12 GLU CA C 53.843 0.300 1 60 12 12 GLU CB C 34.136 0.300 1 61 12 12 GLU CG C 34.963 0.300 1 62 12 12 GLU N N 120.032 0.300 1 63 13 13 GLY H H 8.615 0.030 1 64 13 13 GLY HA2 H 4.545 0.030 2 65 13 13 GLY HA3 H 3.815 0.030 2 66 13 13 GLY C C 170.537 0.300 1 67 13 13 GLY CA C 45.428 0.300 1 68 13 13 GLY N N 108.480 0.300 1 69 14 14 TRP H H 8.748 0.030 1 70 14 14 TRP HA H 5.246 0.030 1 71 14 14 TRP HB2 H 3.193 0.030 1 72 14 14 TRP HB3 H 3.193 0.030 1 73 14 14 TRP HD1 H 7.556 0.030 1 74 14 14 TRP HE1 H 10.328 0.030 1 75 14 14 TRP HE3 H 7.509 0.030 1 76 14 14 TRP HH2 H 7.399 0.030 1 77 14 14 TRP HZ2 H 7.508 0.030 1 78 14 14 TRP HZ3 H 7.047 0.030 1 79 14 14 TRP C C 177.815 0.300 1 80 14 14 TRP CA C 57.407 0.300 1 81 14 14 TRP CB C 30.298 0.300 1 82 14 14 TRP CD1 C 128.145 0.300 1 83 14 14 TRP CE3 C 120.632 0.300 1 84 14 14 TRP CH2 C 124.504 0.300 1 85 14 14 TRP CZ2 C 114.650 0.300 1 86 14 14 TRP CZ3 C 122.269 0.300 1 87 14 14 TRP N N 119.791 0.300 1 88 14 14 TRP NE1 N 129.384 0.300 1 89 15 15 LEU H H 9.397 0.030 1 90 15 15 LEU HA H 4.942 0.030 1 91 15 15 LEU HB2 H 1.478 0.030 2 92 15 15 LEU HB3 H 1.435 0.030 2 93 15 15 LEU HD1 H -0.807 0.030 1 94 15 15 LEU HD2 H 0.759 0.030 1 95 15 15 LEU HG H 1.127 0.030 1 96 15 15 LEU C C 176.968 0.300 1 97 15 15 LEU CA C 54.672 0.300 1 98 15 15 LEU CB C 48.295 0.300 1 99 15 15 LEU CD1 C 23.590 0.300 2 100 15 15 LEU CD2 C 24.145 0.300 2 101 15 15 LEU CG C 26.820 0.300 1 102 15 15 LEU N N 123.902 0.300 1 103 16 16 HIS H H 8.486 0.030 1 104 16 16 HIS HA H 5.507 0.030 1 105 16 16 HIS HB2 H 3.153 0.030 2 106 16 16 HIS HB3 H 3.181 0.030 2 107 16 16 HIS HD2 H 6.758 0.030 1 108 16 16 HIS HE1 H 7.624 0.030 1 109 16 16 HIS C C 175.432 0.300 1 110 16 16 HIS CA C 57.495 0.300 1 111 16 16 HIS CB C 31.816 0.300 1 112 16 16 HIS CE1 C 138.820 0.300 1 113 16 16 HIS N N 118.517 0.300 1 114 17 17 PHE H H 9.638 0.030 1 115 17 17 PHE HA H 5.517 0.030 1 116 17 17 PHE HB2 H 2.881 0.030 2 117 17 17 PHE HB3 H 2.659 0.030 2 118 17 17 PHE HD1 H 6.427 0.030 1 119 17 17 PHE HD2 H 6.427 0.030 1 120 17 17 PHE HE1 H 6.947 0.030 1 121 17 17 PHE HE2 H 6.947 0.030 1 122 17 17 PHE HZ H 7.028 0.030 1 123 17 17 PHE C C 173.999 0.300 1 124 17 17 PHE CA C 55.961 0.300 1 125 17 17 PHE CB C 44.490 0.300 1 126 17 17 PHE CD1 C 131.903 0.300 1 127 17 17 PHE CD2 C 131.903 0.300 1 128 17 17 PHE CE1 C 130.692 0.300 1 129 17 17 PHE CE2 C 130.692 0.300 1 130 17 17 PHE CZ C 129.663 0.300 1 131 17 17 PHE N N 125.558 0.300 1 132 18 18 ARG H H 7.853 0.030 1 133 18 18 ARG HA H 3.862 0.030 1 134 18 18 ARG HB2 H -0.166 0.030 2 135 18 18 ARG HB3 H 0.117 0.030 2 136 18 18 ARG HD2 H 1.658 0.030 2 137 18 18 ARG HD3 H 1.794 0.030 2 138 18 18 ARG HE H 6.211 0.030 1 139 18 18 ARG HG2 H 0.286 0.030 2 140 18 18 ARG HG3 H 0.480 0.030 2 141 18 18 ARG C C 171.469 0.300 1 142 18 18 ARG CA C 52.662 0.300 1 143 18 18 ARG CB C 32.351 0.300 1 144 18 18 ARG CD C 43.345 0.300 1 145 18 18 ARG CG C 26.217 0.300 1 146 18 18 ARG N N 127.759 0.300 1 147 18 18 ARG NE N 84.583 0.300 1 148 19 19 PRO HA H 4.028 0.030 1 149 19 19 PRO HB2 H 2.006 0.030 2 150 19 19 PRO HB3 H 1.649 0.030 2 151 19 19 PRO HD2 H 3.087 0.030 2 152 19 19 PRO HD3 H 2.665 0.030 2 153 19 19 PRO HG2 H 1.847 0.030 2 154 19 19 PRO HG3 H 1.816 0.030 2 155 19 19 PRO CA C 62.038 0.300 1 156 19 19 PRO CB C 31.856 0.300 1 157 19 19 PRO CD C 50.269 0.300 1 158 19 19 PRO CG C 26.355 0.300 1 159 20 20 LEU H H 8.068 0.030 1 160 20 20 LEU HA H 4.354 0.030 1 161 20 20 LEU HB2 H 1.339 0.030 2 162 20 20 LEU HB3 H 1.287 0.030 2 163 20 20 LEU HD1 H 0.572 0.030 1 164 20 20 LEU HD2 H 0.538 0.030 1 165 20 20 LEU HG H 1.154 0.030 1 166 20 20 LEU C C 176.602 0.300 1 167 20 20 LEU CA C 54.496 0.300 1 168 20 20 LEU CB C 42.641 0.300 1 169 20 20 LEU CD1 C 24.959 0.300 2 170 20 20 LEU CD2 C 22.731 0.300 2 171 20 20 LEU CG C 27.062 0.300 1 172 20 20 LEU N N 120.890 0.300 1 173 21 21 VAL H H 8.065 0.030 1 174 21 21 VAL HA H 4.281 0.030 1 175 21 21 VAL HB H 1.938 0.030 1 176 21 21 VAL HG1 H 0.845 0.030 1 177 21 21 VAL HG2 H 0.856 0.030 1 178 21 21 VAL C C 175.879 0.300 1 179 21 21 VAL CA C 61.888 0.300 1 180 21 21 VAL CB C 34.035 0.300 1 181 21 21 VAL CG1 C 20.907 0.300 2 182 21 21 VAL CG2 C 21.290 0.300 2 183 21 21 VAL N N 120.524 0.300 1 184 22 22 THR H H 8.487 0.030 1 185 22 22 THR HA H 4.535 0.030 1 186 22 22 THR HB H 4.237 0.030 1 187 22 22 THR HG2 H 1.101 0.030 1 188 22 22 THR C C 174.071 0.300 1 189 22 22 THR CA C 61.037 0.300 1 190 22 22 THR CB C 70.532 0.300 1 191 22 22 THR CG2 C 21.662 0.300 1 192 22 22 THR N N 118.217 0.300 1 193 23 23 ASP H H 8.491 0.030 1 194 23 23 ASP HA H 4.564 0.030 1 195 23 23 ASP HB2 H 2.689 0.030 2 196 23 23 ASP HB3 H 2.624 0.030 2 197 23 23 ASP C C 176.468 0.300 1 198 23 23 ASP CA C 54.726 0.300 1 199 23 23 ASP CB C 41.230 0.300 1 200 23 23 ASP N N 121.954 0.300 1 201 24 24 LYS H H 8.489 0.030 1 202 24 24 LYS HA H 4.109 0.030 1 203 24 24 LYS HB2 H 1.877 0.030 2 204 24 24 LYS HB3 H 1.747 0.030 2 205 24 24 LYS HD2 H 1.637 0.030 1 206 24 24 LYS HD3 H 1.637 0.030 1 207 24 24 LYS HE2 H 2.985 0.030 1 208 24 24 LYS HE3 H 2.985 0.030 1 209 24 24 LYS HG2 H 1.429 0.030 2 210 24 24 LYS HG3 H 1.384 0.030 2 211 24 24 LYS C C 177.314 0.300 1 212 24 24 LYS CA C 57.248 0.300 1 213 24 24 LYS CB C 32.022 0.300 1 214 24 24 LYS CD C 28.980 0.300 1 215 24 24 LYS CE C 42.135 0.300 1 216 24 24 LYS CG C 24.992 0.300 1 217 24 24 LYS N N 120.559 0.300 1 218 25 25 GLY H H 8.397 0.030 1 219 25 25 GLY HA2 H 3.962 0.030 2 220 25 25 GLY HA3 H 3.852 0.030 2 221 25 25 GLY C C 174.437 0.300 1 222 25 25 GLY CA C 45.500 0.300 1 223 25 25 GLY N N 108.472 0.300 1 224 26 26 LYS H H 7.970 0.030 1 225 26 26 LYS HA H 4.304 0.030 1 226 26 26 LYS HB2 H 1.837 0.030 2 227 26 26 LYS HB3 H 1.743 0.030 2 228 26 26 LYS HD2 H 1.637 0.030 1 229 26 26 LYS HD3 H 1.637 0.030 1 230 26 26 LYS HE2 H 2.953 0.030 1 231 26 26 LYS HE3 H 2.953 0.030 1 232 26 26 LYS HG2 H 1.358 0.030 2 233 26 26 LYS HG3 H 1.414 0.030 2 234 26 26 LYS C C 176.445 0.300 1 235 26 26 LYS CA C 56.208 0.300 1 236 26 26 LYS CB C 32.891 0.300 1 237 26 26 LYS CD C 28.980 0.300 1 238 26 26 LYS CE C 42.135 0.300 1 239 26 26 LYS CG C 24.912 0.300 1 240 26 26 LYS N N 120.427 0.300 1 241 27 27 ARG H H 8.315 0.030 1 242 27 27 ARG HA H 4.338 0.030 1 243 27 27 ARG HB2 H 1.818 0.030 2 244 27 27 ARG HB3 H 1.753 0.030 2 245 27 27 ARG HD2 H 3.155 0.030 1 246 27 27 ARG HD3 H 3.155 0.030 1 247 27 27 ARG HG2 H 1.601 0.030 2 248 27 27 ARG HG3 H 1.546 0.030 2 249 27 27 ARG C C 176.417 0.300 1 250 27 27 ARG CA C 56.402 0.300 1 251 27 27 ARG CB C 30.419 0.300 1 252 27 27 ARG CD C 43.235 0.300 1 253 27 27 ARG CG C 27.295 0.300 1 254 27 27 ARG N N 121.797 0.300 1 255 28 28 VAL H H 8.104 0.030 1 256 28 28 VAL HA H 4.134 0.030 1 257 28 28 VAL HB H 2.035 0.030 1 258 28 28 VAL HG1 H 0.875 0.030 1 259 28 28 VAL HG2 H 0.888 0.030 1 260 28 28 VAL C C 176.587 0.300 1 261 28 28 VAL CA C 62.223 0.300 1 262 28 28 VAL CB C 32.762 0.300 1 263 28 28 VAL CG1 C 20.460 0.300 2 264 28 28 VAL CG2 C 21.242 0.300 2 265 28 28 VAL N N 121.110 0.300 1 266 29 29 GLY H H 8.511 0.030 1 267 29 29 GLY HA2 H 3.954 0.030 1 268 29 29 GLY HA3 H 3.954 0.030 1 269 29 29 GLY C C 174.691 0.300 1 270 29 29 GLY CA C 45.323 0.300 1 271 29 29 GLY N N 112.732 0.300 1 272 31 31 SER HA H 4.428 0.030 1 273 31 31 SER HB2 H 3.777 0.030 1 274 31 31 SER HB3 H 3.777 0.030 1 275 31 31 SER C C 174.228 0.300 1 276 31 31 SER CA C 58.236 0.300 1 277 31 31 SER CB C 63.969 0.300 1 278 32 32 ILE H H 8.162 0.030 1 279 32 32 ILE HA H 4.039 0.030 1 280 32 32 ILE HB H 1.772 0.030 1 281 32 32 ILE HD1 H 0.776 0.030 1 282 32 32 ILE HG12 H 1.104 0.030 2 283 32 32 ILE HG13 H 1.407 0.030 2 284 32 32 ILE HG2 H 0.788 0.030 1 285 32 32 ILE C C 176.021 0.300 1 286 32 32 ILE CA C 61.268 0.300 1 287 32 32 ILE CB C 38.384 0.300 1 288 32 32 ILE CD1 C 12.878 0.300 1 289 32 32 ILE CG1 C 27.334 0.300 1 290 32 32 ILE CG2 C 17.429 0.300 1 291 32 32 ILE N N 122.191 0.300 1 292 33 33 ARG H H 8.308 0.030 1 293 33 33 ARG HA H 4.589 0.030 1 294 33 33 ARG HB2 H 1.748 0.030 2 295 33 33 ARG HB3 H 1.541 0.030 2 296 33 33 ARG HD2 H 3.153 0.030 2 297 33 33 ARG HD3 H 3.108 0.030 2 298 33 33 ARG HG2 H 1.598 0.030 1 299 33 33 ARG HG3 H 1.598 0.030 1 300 33 33 ARG C C 173.528 0.300 1 301 33 33 ARG CA C 53.120 0.300 1 302 33 33 ARG CB C 30.213 0.300 1 303 33 33 ARG CD C 42.937 0.300 1 304 33 33 ARG CG C 26.907 0.300 1 305 33 33 ARG N N 126.546 0.300 1 306 34 34 PRO HA H 4.507 0.030 1 307 34 34 PRO HB2 H 2.299 0.030 2 308 34 34 PRO HB3 H 2.017 0.030 2 309 34 34 PRO HD2 H 3.608 0.030 2 310 34 34 PRO HD3 H 3.710 0.030 2 311 34 34 PRO HG2 H 2.019 0.030 2 312 34 34 PRO HG3 H 1.907 0.030 2 313 34 34 PRO C C 176.668 0.300 1 314 34 34 PRO CA C 62.348 0.300 1 315 34 34 PRO CB C 32.709 0.300 1 316 34 34 PRO CD C 50.429 0.300 1 317 34 34 PRO CG C 26.962 0.300 1 318 35 35 TRP H H 8.079 0.030 1 319 35 35 TRP HA H 4.402 0.030 1 320 35 35 TRP HB2 H 3.008 0.030 1 321 35 35 TRP HB3 H 3.008 0.030 1 322 35 35 TRP HD1 H 7.316 0.030 1 323 35 35 TRP HE1 H 10.358 0.030 1 324 35 35 TRP HE3 H 7.211 0.030 1 325 35 35 TRP HH2 H 6.677 0.030 1 326 35 35 TRP HZ2 H 7.217 0.030 1 327 35 35 TRP HZ3 H 6.572 0.030 1 328 35 35 TRP C C 177.340 0.300 1 329 35 35 TRP CA C 58.312 0.300 1 330 35 35 TRP CB C 30.753 0.300 1 331 35 35 TRP CD1 C 127.603 0.300 1 332 35 35 TRP CE3 C 120.472 0.300 1 333 35 35 TRP CH2 C 124.954 0.300 1 334 35 35 TRP CZ2 C 113.487 0.300 1 335 35 35 TRP CZ3 C 121.863 0.300 1 336 35 35 TRP N N 118.968 0.300 1 337 35 35 TRP NE1 N 130.103 0.300 1 338 36 36 LYS H H 9.008 0.030 1 339 36 36 LYS HA H 4.864 0.030 1 340 36 36 LYS HB2 H 1.973 0.030 2 341 36 36 LYS HB3 H 1.872 0.030 2 342 36 36 LYS HD2 H 1.822 0.030 1 343 36 36 LYS HD3 H 1.822 0.030 1 344 36 36 LYS HE2 H 3.077 0.030 1 345 36 36 LYS HE3 H 3.077 0.030 1 346 36 36 LYS HG2 H 1.600 0.030 2 347 36 36 LYS HG3 H 1.573 0.030 2 348 36 36 LYS C C 175.278 0.300 1 349 36 36 LYS CA C 55.378 0.300 1 350 36 36 LYS CB C 36.996 0.300 1 351 36 36 LYS CD C 29.638 0.300 1 352 36 36 LYS CE C 42.232 0.300 1 353 36 36 LYS CG C 24.748 0.300 1 354 36 36 LYS N N 121.224 0.300 1 355 37 37 GLN H H 9.091 0.030 1 356 37 37 GLN HA H 4.459 0.030 1 357 37 37 GLN HB2 H 2.095 0.030 2 358 37 37 GLN HB3 H 1.663 0.030 2 359 37 37 GLN HE21 H 6.486 0.030 2 360 37 37 GLN HE22 H 6.987 0.030 2 361 37 37 GLN HG2 H 2.196 0.030 2 362 37 37 GLN HG3 H 1.747 0.030 2 363 37 37 GLN C C 174.743 0.300 1 364 37 37 GLN CA C 56.913 0.300 1 365 37 37 GLN CB C 29.261 0.300 1 366 37 37 GLN CG C 34.817 0.300 1 367 37 37 GLN N N 126.310 0.300 1 368 37 37 GLN NE2 N 111.538 0.300 1 369 38 38 MET H H 9.197 0.030 1 370 38 38 MET HA H 5.216 0.030 1 371 38 38 MET HB2 H 1.907 0.030 2 372 38 38 MET HB3 H 1.628 0.030 2 373 38 38 MET HE H 1.838 0.030 1 374 38 38 MET HG2 H 2.332 0.030 2 375 38 38 MET HG3 H 2.575 0.030 2 376 38 38 MET C C 172.814 0.300 1 377 38 38 MET CA C 53.543 0.300 1 378 38 38 MET CB C 36.174 0.300 1 379 38 38 MET CE C 18.131 0.300 1 380 38 38 MET CG C 33.307 0.300 1 381 38 38 MET N N 125.739 0.300 1 382 39 39 TYR H H 9.255 0.030 1 383 39 39 TYR HA H 3.999 0.030 1 384 39 39 TYR HB2 H 2.285 0.030 2 385 39 39 TYR HB3 H 1.109 0.030 2 386 39 39 TYR HD1 H 5.476 0.030 1 387 39 39 TYR HD2 H 5.476 0.030 1 388 39 39 TYR HE1 H 6.307 0.030 1 389 39 39 TYR HE2 H 6.307 0.030 1 390 39 39 TYR C C 173.730 0.300 1 391 39 39 TYR CA C 59.141 0.300 1 392 39 39 TYR CB C 38.226 0.300 1 393 39 39 TYR CD1 C 132.308 0.300 1 394 39 39 TYR CD2 C 132.308 0.300 1 395 39 39 TYR CE1 C 117.223 0.300 1 396 39 39 TYR CE2 C 117.223 0.300 1 397 39 39 TYR N N 125.674 0.300 1 398 40 40 VAL H H 8.378 0.030 1 399 40 40 VAL HA H 4.759 0.030 1 400 40 40 VAL HB H 1.610 0.030 1 401 40 40 VAL HG1 H 0.340 0.030 1 402 40 40 VAL HG2 H 0.639 0.030 1 403 40 40 VAL C C 174.377 0.300 1 404 40 40 VAL CA C 61.518 0.300 1 405 40 40 VAL CB C 32.521 0.300 1 406 40 40 VAL CG1 C 22.238 0.300 2 407 40 40 VAL CG2 C 22.471 0.300 2 408 40 40 VAL N N 129.639 0.300 1 409 41 41 VAL H H 8.987 0.030 1 410 41 41 VAL HA H 4.654 0.030 1 411 41 41 VAL HB H 2.159 0.030 1 412 41 41 VAL HG1 H 0.945 0.030 1 413 41 41 VAL HG2 H 1.028 0.030 1 414 41 41 VAL C C 174.965 0.300 1 415 41 41 VAL CA C 61.043 0.300 1 416 41 41 VAL CB C 36.462 0.300 1 417 41 41 VAL CG1 C 21.772 0.300 2 418 41 41 VAL CG2 C 21.394 0.300 2 419 41 41 VAL N N 124.818 0.300 1 420 42 42 LEU H H 9.028 0.030 1 421 42 42 LEU HA H 5.330 0.030 1 422 42 42 LEU HB2 H 1.986 0.030 2 423 42 42 LEU HB3 H 1.360 0.030 2 424 42 42 LEU HD1 H 0.736 0.030 1 425 42 42 LEU HD2 H 0.751 0.030 1 426 42 42 LEU HG H 1.507 0.030 1 427 42 42 LEU C C 174.914 0.300 1 428 42 42 LEU CA C 53.791 0.300 1 429 42 42 LEU CB C 43.821 0.300 1 430 42 42 LEU CD1 C 23.093 0.300 2 431 42 42 LEU CD2 C 27.664 0.300 2 432 42 42 LEU CG C 27.492 0.300 1 433 42 42 LEU N N 129.335 0.300 1 434 43 43 ARG H H 8.928 0.030 1 435 43 43 ARG HA H 4.824 0.030 1 436 43 43 ARG HB2 H 1.781 0.030 2 437 43 43 ARG HB3 H 1.726 0.030 2 438 43 43 ARG HD2 H 3.039 0.030 2 439 43 43 ARG HD3 H 2.847 0.030 2 440 43 43 ARG HG2 H 1.437 0.030 2 441 43 43 ARG HG3 H 1.497 0.030 2 442 43 43 ARG C C 176.388 0.300 1 443 43 43 ARG CA C 55.132 0.300 1 444 43 43 ARG CB C 32.803 0.300 1 445 43 43 ARG CD C 43.444 0.300 1 446 43 43 ARG CG C 27.830 0.300 1 447 43 43 ARG N N 127.125 0.300 1 448 44 44 GLY H H 9.168 0.030 1 449 44 44 GLY HA2 H 3.900 0.030 2 450 44 44 GLY HA3 H 3.602 0.030 2 451 44 44 GLY C C 173.795 0.300 1 452 44 44 GLY CA C 47.451 0.300 1 453 44 44 GLY N N 117.059 0.300 1 454 45 45 HIS H H 8.417 0.030 1 455 45 45 HIS HA H 4.837 0.030 1 456 45 45 HIS HB2 H 3.274 0.030 2 457 45 45 HIS HB3 H 3.132 0.030 2 458 45 45 HIS HD2 H 7.076 0.030 1 459 45 45 HIS HE1 H 8.024 0.030 1 460 45 45 HIS C C 174.462 0.300 1 461 45 45 HIS CA C 54.849 0.300 1 462 45 45 HIS CB C 29.391 0.300 1 463 45 45 HIS CD2 C 121.604 0.300 1 464 45 45 HIS CE1 C 138.153 0.300 1 465 45 45 HIS N N 122.069 0.300 1 466 46 46 SER H H 8.027 0.030 1 467 46 46 SER HA H 5.240 0.030 1 468 46 46 SER HB2 H 3.670 0.030 2 469 46 46 SER HB3 H 3.113 0.030 2 470 46 46 SER C C 170.628 0.300 1 471 46 46 SER CA C 58.324 0.300 1 472 46 46 SER CB C 66.662 0.300 1 473 46 46 SER N N 116.520 0.300 1 474 47 47 LEU H H 8.998 0.030 1 475 47 47 LEU HA H 4.879 0.030 1 476 47 47 LEU HB2 H 1.465 0.030 2 477 47 47 LEU HB3 H 1.151 0.030 2 478 47 47 LEU HD1 H 0.534 0.030 1 479 47 47 LEU HD2 H 0.571 0.030 1 480 47 47 LEU HG H 1.392 0.030 1 481 47 47 LEU C C 174.812 0.300 1 482 47 47 LEU CA C 53.367 0.300 1 483 47 47 LEU CB C 44.189 0.300 1 484 47 47 LEU CD1 C 26.360 0.300 2 485 47 47 LEU CD2 C 25.063 0.300 2 486 47 47 LEU CG C 26.030 0.300 1 487 47 47 LEU N N 124.220 0.300 1 488 48 48 TYR H H 9.407 0.030 1 489 48 48 TYR HA H 4.217 0.030 1 490 48 48 TYR HB2 H 2.891 0.030 2 491 48 48 TYR HB3 H 2.447 0.030 2 492 48 48 TYR HD1 H 7.146 0.030 1 493 48 48 TYR HD2 H 7.146 0.030 1 494 48 48 TYR HE1 H 6.847 0.030 1 495 48 48 TYR HE2 H 6.847 0.030 1 496 48 48 TYR C C 173.882 0.300 1 497 48 48 TYR CA C 57.513 0.300 1 498 48 48 TYR CB C 40.943 0.300 1 499 48 48 TYR CD1 C 133.635 0.300 1 500 48 48 TYR CD2 C 133.635 0.300 1 501 48 48 TYR CE1 C 118.003 0.300 1 502 48 48 TYR CE2 C 118.003 0.300 1 503 48 48 TYR N N 123.229 0.300 1 504 49 49 LEU H H 8.079 0.030 1 505 49 49 LEU HA H 4.605 0.030 1 506 49 49 LEU HB2 H 1.269 0.030 2 507 49 49 LEU HB3 H 1.053 0.030 2 508 49 49 LEU HD1 H 0.263 0.030 1 509 49 49 LEU HD2 H 0.040 0.030 1 510 49 49 LEU HG H 1.199 0.030 1 511 49 49 LEU C C 175.488 0.300 1 512 49 49 LEU CA C 54.355 0.300 1 513 49 49 LEU CB C 43.122 0.300 1 514 49 49 LEU CD1 C 24.905 0.300 2 515 49 49 LEU CD2 C 25.295 0.300 2 516 49 49 LEU CG C 28.351 0.300 1 517 49 49 LEU N N 122.031 0.300 1 518 50 50 TYR H H 9.257 0.030 1 519 50 50 TYR HA H 4.962 0.030 1 520 50 50 TYR HB2 H 3.371 0.030 2 521 50 50 TYR HB3 H 2.926 0.030 2 522 50 50 TYR HD1 H 7.164 0.030 1 523 50 50 TYR HD2 H 7.164 0.030 1 524 50 50 TYR HE1 H 6.625 0.030 1 525 50 50 TYR HE2 H 6.625 0.030 1 526 50 50 TYR C C 175.712 0.300 1 527 50 50 TYR CA C 56.260 0.300 1 528 50 50 TYR CB C 41.724 0.300 1 529 50 50 TYR CD1 C 133.484 0.300 1 530 50 50 TYR CD2 C 133.484 0.300 1 531 50 50 TYR CE1 C 118.133 0.300 1 532 50 50 TYR CE2 C 118.133 0.300 1 533 50 50 TYR N N 121.180 0.300 1 534 51 51 LYS H H 9.162 0.030 1 535 51 51 LYS HA H 4.501 0.030 1 536 51 51 LYS HB2 H 1.974 0.030 2 537 51 51 LYS HB3 H 1.937 0.030 2 538 51 51 LYS HD2 H 1.807 0.030 1 539 51 51 LYS HD3 H 1.807 0.030 1 540 51 51 LYS HE2 H 3.086 0.030 1 541 51 51 LYS HE3 H 3.086 0.030 1 542 51 51 LYS HG2 H 1.628 0.030 2 543 51 51 LYS HG3 H 1.588 0.030 2 544 51 51 LYS C C 176.165 0.300 1 545 51 51 LYS CA C 58.483 0.300 1 546 51 51 LYS CB C 32.926 0.300 1 547 51 51 LYS CD C 29.391 0.300 1 548 51 51 LYS CE C 41.971 0.300 1 549 51 51 LYS CG C 25.252 0.300 1 550 51 51 LYS N N 121.437 0.300 1 551 52 52 ASP H H 7.897 0.030 1 552 52 52 ASP HA H 4.799 0.030 1 553 52 52 ASP HB2 H 2.823 0.030 2 554 52 52 ASP HB3 H 2.797 0.030 2 555 52 52 ASP C C 174.418 0.300 1 556 52 52 ASP CA C 52.732 0.300 1 557 52 52 ASP CB C 43.574 0.300 1 558 52 52 ASP N N 114.111 0.300 1 559 53 53 LYS H H 7.708 0.030 1 560 53 53 LYS HA H 3.095 0.030 1 561 53 53 LYS HB2 H 1.267 0.030 2 562 53 53 LYS HB3 H 0.786 0.030 2 563 53 53 LYS HD2 H 1.387 0.030 2 564 53 53 LYS HD3 H 1.276 0.030 2 565 53 53 LYS HE2 H 2.771 0.030 1 566 53 53 LYS HE3 H 2.771 0.030 1 567 53 53 LYS HG2 H 0.641 0.030 2 568 53 53 LYS HG3 H 0.421 0.030 2 569 53 53 LYS C C 176.616 0.300 1 570 53 53 LYS CA C 57.690 0.300 1 571 53 53 LYS CB C 32.680 0.300 1 572 53 53 LYS CD C 29.520 0.300 1 573 53 53 LYS CE C 42.050 0.300 1 574 53 53 LYS CG C 24.558 0.300 1 575 53 53 LYS N N 121.188 0.300 1 576 54 54 ARG H H 8.046 0.030 1 577 54 54 ARG HA H 4.058 0.030 1 578 54 54 ARG HB2 H 1.779 0.030 2 579 54 54 ARG HB3 H 1.656 0.030 2 580 54 54 ARG HD2 H 3.100 0.030 1 581 54 54 ARG HD3 H 3.100 0.030 1 582 54 54 ARG HG2 H 1.489 0.030 1 583 54 54 ARG HG3 H 1.489 0.030 1 584 54 54 ARG C C 176.265 0.300 1 585 54 54 ARG CA C 56.437 0.300 1 586 54 54 ARG CB C 30.567 0.300 1 587 54 54 ARG CD C 43.345 0.300 1 588 54 54 ARG CG C 27.010 0.300 1 589 54 54 ARG N N 119.699 0.300 1 590 55 55 GLU HA H 4.139 0.030 1 591 55 55 GLU HB2 H 1.861 0.030 2 592 55 55 GLU HB3 H 2.031 0.030 2 593 55 55 GLU HG2 H 2.193 0.030 2 594 55 55 GLU HG3 H 2.135 0.030 2 595 55 55 GLU C C 175.886 0.300 1 596 55 55 GLU CA C 56.350 0.300 1 597 55 55 GLU CB C 29.967 0.300 1 598 55 55 GLU CG C 36.262 0.300 1 599 56 56 GLN H H 8.065 0.030 1 600 56 56 GLN HA H 3.988 0.030 1 601 56 56 GLN HB2 H 1.853 0.030 2 602 56 56 GLN HB3 H 1.639 0.030 2 603 56 56 GLN HE21 H 7.346 0.030 2 604 56 56 GLN HE22 H 6.829 0.030 2 605 56 56 GLN HG2 H 1.997 0.030 2 606 56 56 GLN HG3 H 1.725 0.030 2 607 56 56 GLN C C 175.958 0.300 1 608 56 56 GLN CA C 55.961 0.300 1 609 56 56 GLN CB C 29.021 0.300 1 610 56 56 GLN CG C 33.502 0.300 1 611 56 56 GLN N N 119.546 0.300 1 612 56 56 GLN NE2 N 111.336 0.300 1 613 57 57 THR H H 7.960 0.030 1 614 57 57 THR HA H 4.332 0.030 1 615 57 57 THR HB H 4.247 0.030 1 616 57 57 THR HG2 H 1.157 0.030 1 617 57 57 THR C C 174.684 0.300 1 618 57 57 THR CA C 62.205 0.300 1 619 57 57 THR CB C 69.692 0.300 1 620 57 57 THR CG2 C 21.745 0.300 1 621 57 57 THR N N 113.060 0.300 1 622 58 58 THR H H 8.149 0.030 1 623 58 58 THR HA H 4.676 0.030 1 624 58 58 THR HB H 4.187 0.030 1 625 58 58 THR HG2 H 1.237 0.030 1 626 58 58 THR C C 172.801 0.300 1 627 58 58 THR CA C 59.829 0.300 1 628 58 58 THR CB C 69.762 0.300 1 629 58 58 THR CG2 C 21.623 0.300 1 630 58 58 THR N N 117.566 0.300 1 631 59 59 PRO HA H 4.452 0.030 1 632 59 59 PRO HB2 H 2.301 0.030 2 633 59 59 PRO HB3 H 1.957 0.030 2 634 59 59 PRO HD2 H 3.804 0.030 2 635 59 59 PRO HD3 H 3.717 0.030 2 636 59 59 PRO HG2 H 1.950 0.030 2 637 59 59 PRO HG3 H 2.026 0.030 2 638 59 59 PRO C C 177.149 0.300 1 639 59 59 PRO CA C 63.753 0.300 1 640 59 59 PRO CB C 32.022 0.300 1 641 59 59 PRO CD C 51.011 0.300 1 642 59 59 PRO CG C 27.508 0.300 1 643 60 60 SER H H 8.459 0.030 1 644 60 60 SER HA H 4.459 0.030 1 645 60 60 SER HB2 H 3.963 0.030 2 646 60 60 SER HB3 H 3.905 0.030 2 647 60 60 SER C C 175.013 0.300 1 648 60 60 SER CA C 58.694 0.300 1 649 60 60 SER CB C 64.087 0.300 1 650 60 60 SER N N 115.592 0.300 1 651 61 61 GLU H H 8.576 0.030 1 652 61 61 GLU HA H 4.321 0.030 1 653 61 61 GLU HB2 H 2.150 0.030 2 654 61 61 GLU HB3 H 1.995 0.030 2 655 61 61 GLU HG2 H 2.327 0.030 2 656 61 61 GLU HG3 H 2.272 0.030 2 657 61 61 GLU C C 176.643 0.300 1 658 61 61 GLU CA C 57.160 0.300 1 659 61 61 GLU CB C 30.093 0.300 1 660 61 61 GLU CG C 36.626 0.300 1 661 61 61 GLU N N 122.647 0.300 1 662 62 62 GLU H H 8.323 0.030 1 663 62 62 GLU HA H 4.322 0.030 1 664 62 62 GLU HB2 H 1.914 0.030 2 665 62 62 GLU HB3 H 2.097 0.030 2 666 62 62 GLU HG2 H 2.286 0.030 1 667 62 62 GLU HG3 H 2.286 0.030 1 668 62 62 GLU C C 176.414 0.300 1 669 62 62 GLU CA C 56.860 0.300 1 670 62 62 GLU CB C 30.683 0.300 1 671 62 62 GLU CG C 36.380 0.300 1 672 62 62 GLU N N 120.275 0.300 1 673 63 63 GLU H H 7.986 0.030 1 674 63 63 GLU HA H 4.388 0.030 1 675 63 63 GLU HB2 H 1.975 0.030 2 676 63 63 GLU HB3 H 1.779 0.030 2 677 63 63 GLU HG2 H 2.167 0.030 1 678 63 63 GLU HG3 H 2.167 0.030 1 679 63 63 GLU C C 175.783 0.300 1 680 63 63 GLU CA C 55.338 0.300 1 681 63 63 GLU CB C 30.789 0.300 1 682 63 63 GLU CG C 36.215 0.300 1 683 63 63 GLU N N 120.186 0.300 1 684 64 64 GLN H H 8.422 0.030 1 685 64 64 GLN HA H 4.498 0.030 1 686 64 64 GLN HB2 H 1.909 0.030 2 687 64 64 GLN HB3 H 2.070 0.030 2 688 64 64 GLN HE21 H 7.568 0.030 2 689 64 64 GLN HE22 H 6.871 0.030 2 690 64 64 GLN HG2 H 2.409 0.030 1 691 64 64 GLN HG3 H 2.409 0.030 1 692 64 64 GLN C C 173.431 0.300 1 693 64 64 GLN CA C 53.967 0.300 1 694 64 64 GLN CB C 28.569 0.300 1 695 64 64 GLN CG C 33.702 0.300 1 696 64 64 GLN N N 122.519 0.300 1 697 64 64 GLN NE2 N 113.152 0.300 1 698 65 65 PRO HA H 4.385 0.030 1 699 65 65 PRO HB2 H 1.241 0.030 2 700 65 65 PRO HB3 H 1.123 0.030 2 701 65 65 PRO HD2 H 3.559 0.030 2 702 65 65 PRO HD3 H 3.707 0.030 2 703 65 65 PRO HG2 H 1.865 0.030 2 704 65 65 PRO HG3 H 1.788 0.030 2 705 65 65 PRO C C 176.937 0.300 1 706 65 65 PRO CA C 62.505 0.300 1 707 65 65 PRO CB C 31.693 0.300 1 708 65 65 PRO CD C 50.402 0.300 1 709 65 65 PRO CG C 27.600 0.300 1 710 66 66 ILE H H 8.710 0.030 1 711 66 66 ILE HA H 4.074 0.030 1 712 66 66 ILE HB H 1.616 0.030 1 713 66 66 ILE HD1 H 0.838 0.030 1 714 66 66 ILE HG12 H 1.604 0.030 2 715 66 66 ILE HG13 H 0.946 0.030 2 716 66 66 ILE HG2 H 0.757 0.030 1 717 66 66 ILE C C 176.080 0.300 1 718 66 66 ILE CA C 60.388 0.300 1 719 66 66 ILE CB C 41.401 0.300 1 720 66 66 ILE CD1 C 14.749 0.300 1 721 66 66 ILE CG1 C 27.242 0.300 1 722 66 66 ILE CG2 C 17.342 0.300 1 723 66 66 ILE N N 122.977 0.300 1 724 67 67 SER H H 8.696 0.030 1 725 67 67 SER HA H 4.927 0.030 1 726 67 67 SER HB2 H 3.960 0.030 1 727 67 67 SER HB3 H 3.960 0.030 1 728 67 67 SER C C 176.910 0.300 1 729 67 67 SER CA C 58.124 0.300 1 730 67 67 SER CB C 63.352 0.300 1 731 67 67 SER N N 122.101 0.300 1 732 68 68 VAL H H 8.954 0.030 1 733 68 68 VAL HA H 4.464 0.030 1 734 68 68 VAL HB H 2.570 0.030 1 735 68 68 VAL HG1 H 0.806 0.030 1 736 68 68 VAL HG2 H 0.667 0.030 1 737 68 68 VAL C C 175.319 0.300 1 738 68 68 VAL CA C 60.376 0.300 1 739 68 68 VAL CB C 30.638 0.300 1 740 68 68 VAL CG1 C 22.758 0.300 2 741 68 68 VAL CG2 C 18.427 0.300 2 742 68 68 VAL N N 118.904 0.300 1 743 69 69 ASN H H 7.877 0.030 1 744 69 69 ASN HA H 4.380 0.030 1 745 69 69 ASN HB2 H 2.502 0.030 2 746 69 69 ASN HB3 H 2.445 0.030 2 747 69 69 ASN HD21 H 6.684 0.030 2 748 69 69 ASN HD22 H 7.457 0.030 2 749 69 69 ASN C C 175.206 0.300 1 750 69 69 ASN CA C 55.325 0.300 1 751 69 69 ASN CB C 38.251 0.300 1 752 69 69 ASN N N 119.995 0.300 1 753 69 69 ASN ND2 N 112.256 0.300 1 754 70 70 ALA H H 8.839 0.030 1 755 70 70 ALA HA H 4.283 0.030 1 756 70 70 ALA HB H 1.334 0.030 1 757 70 70 ALA C C 176.306 0.300 1 758 70 70 ALA CA C 52.485 0.300 1 759 70 70 ALA CB C 17.658 0.300 1 760 70 70 ALA N N 124.538 0.300 1 761 71 71 CYS H H 7.757 0.030 1 762 71 71 CYS HA H 4.958 0.030 1 763 71 71 CYS HB2 H 2.811 0.030 2 764 71 71 CYS HB3 H 2.731 0.030 2 765 71 71 CYS C C 172.821 0.300 1 766 71 71 CYS CA C 56.719 0.300 1 767 71 71 CYS CB C 30.583 0.300 1 768 71 71 CYS N N 115.254 0.300 1 769 72 72 LEU H H 8.716 0.030 1 770 72 72 LEU HA H 4.857 0.030 1 771 72 72 LEU HB2 H 1.625 0.030 1 772 72 72 LEU HB3 H 1.625 0.030 1 773 72 72 LEU HD1 H 0.913 0.030 1 774 72 72 LEU HD2 H 0.908 0.030 1 775 72 72 LEU HG H 1.607 0.030 1 776 72 72 LEU C C 176.188 0.300 1 777 72 72 LEU CA C 54.214 0.300 1 778 72 72 LEU CB C 44.403 0.300 1 779 72 72 LEU CD1 C 24.091 0.300 2 780 72 72 LEU CD2 C 24.976 0.300 2 781 72 72 LEU CG C 27.304 0.300 1 782 72 72 LEU N N 121.678 0.300 1 783 73 73 ILE H H 8.719 0.030 1 784 73 73 ILE HA H 5.405 0.030 1 785 73 73 ILE HB H 1.771 0.030 1 786 73 73 ILE HD1 H 0.904 0.030 1 787 73 73 ILE HG12 H 1.687 0.030 2 788 73 73 ILE HG13 H 1.128 0.030 2 789 73 73 ILE HG2 H 0.922 0.030 1 790 73 73 ILE C C 174.492 0.300 1 791 73 73 ILE CA C 59.330 0.300 1 792 73 73 ILE CB C 40.496 0.300 1 793 73 73 ILE CD1 C 14.809 0.300 1 794 73 73 ILE CG1 C 28.426 0.300 1 795 73 73 ILE CG2 C 17.848 0.300 1 796 73 73 ILE N N 123.561 0.300 1 797 74 74 ASP H H 8.998 0.030 1 798 74 74 ASP HA H 5.081 0.030 1 799 74 74 ASP HB2 H 2.750 0.030 1 800 74 74 ASP HB3 H 2.750 0.030 1 801 74 74 ASP C C 175.419 0.300 1 802 74 74 ASP CA C 52.626 0.300 1 803 74 74 ASP CB C 44.448 0.300 1 804 74 74 ASP N N 126.276 0.300 1 805 75 75 ILE H H 8.823 0.030 1 806 75 75 ILE HA H 4.398 0.030 1 807 75 75 ILE HB H 1.960 0.030 1 808 75 75 ILE HD1 H 0.901 0.030 1 809 75 75 ILE HG12 H 1.529 0.030 2 810 75 75 ILE HG13 H 1.149 0.030 2 811 75 75 ILE HG2 H 0.837 0.030 1 812 75 75 ILE C C 175.928 0.300 1 813 75 75 ILE CA C 62.346 0.300 1 814 75 75 ILE CB C 38.559 0.300 1 815 75 75 ILE CD1 C 13.889 0.300 1 816 75 75 ILE CG1 C 27.667 0.300 1 817 75 75 ILE CG2 C 18.025 0.300 1 818 75 75 ILE N N 121.517 0.300 1 819 76 76 SER H H 8.562 0.030 1 820 76 76 SER HA H 4.608 0.030 1 821 76 76 SER HB2 H 3.788 0.030 2 822 76 76 SER HB3 H 3.737 0.030 2 823 76 76 SER C C 174.388 0.300 1 824 76 76 SER CA C 57.495 0.300 1 825 76 76 SER CB C 64.005 0.300 1 826 76 76 SER N N 119.919 0.300 1 827 77 77 TYR H H 8.307 0.030 1 828 77 77 TYR HA H 4.587 0.030 1 829 77 77 TYR HB2 H 3.047 0.030 2 830 77 77 TYR HB3 H 2.799 0.030 2 831 77 77 TYR HD1 H 7.083 0.030 1 832 77 77 TYR HD2 H 7.083 0.030 1 833 77 77 TYR HE1 H 6.765 0.030 1 834 77 77 TYR HE2 H 6.765 0.030 1 835 77 77 TYR C C 176.338 0.300 1 836 77 77 TYR CA C 58.730 0.300 1 837 77 77 TYR CB C 38.828 0.300 1 838 77 77 TYR CD1 C 133.264 0.300 1 839 77 77 TYR CD2 C 133.264 0.300 1 840 77 77 TYR CE1 C 118.342 0.300 1 841 77 77 TYR CE2 C 118.342 0.300 1 842 77 77 TYR N N 125.037 0.300 1 843 79 79 GLU HA H 4.404 0.030 1 844 79 79 GLU HB2 H 2.107 0.030 2 845 79 79 GLU HB3 H 1.827 0.030 2 846 79 79 GLU CB C 29.542 0.300 1 847 79 79 GLU CG C 34.827 0.300 1 848 80 80 THR H H 7.956 0.030 1 849 80 80 THR HA H 4.433 0.030 1 850 80 80 THR HB H 4.297 0.030 1 851 80 80 THR HG2 H 1.257 0.030 1 852 80 80 THR CA C 62.163 0.300 1 853 80 80 THR CB C 69.606 0.300 1 854 80 80 THR CG2 C 20.894 0.300 1 855 81 81 LYS HA H 4.313 0.030 1 856 81 81 LYS HB2 H 1.916 0.030 2 857 81 81 LYS HB3 H 1.734 0.030 2 858 81 81 LYS HG2 H 1.418 0.030 2 859 81 81 LYS CA C 56.770 0.300 1 860 81 81 LYS CB C 32.515 0.300 1 861 81 81 LYS CD C 26.924 0.300 1 862 81 81 LYS CE C 43.368 0.300 1 863 81 81 LYS CG C 24.951 0.300 1 864 82 82 ARG H H 7.959 0.030 1 865 82 82 ARG HA H 4.107 0.030 1 866 82 82 ARG HB2 H 1.326 0.030 2 867 82 82 ARG HB3 H 1.224 0.030 2 868 82 82 ARG HD2 H 1.916 0.030 2 869 82 82 ARG HD3 H 1.767 0.030 2 870 82 82 ARG HG2 H 1.255 0.030 2 871 82 82 ARG HG3 H 1.087 0.030 2 872 82 82 ARG C C 174.736 0.300 1 873 82 82 ARG CA C 56.260 0.300 1 874 82 82 ARG CB C 31.446 0.300 1 875 82 82 ARG CD C 42.688 0.300 1 876 82 82 ARG CG C 28.105 0.300 1 877 82 82 ARG N N 120.122 0.300 1 878 83 83 LYS H H 8.217 0.030 1 879 83 83 LYS HA H 4.437 0.030 1 880 83 83 LYS HB2 H 1.764 0.030 2 881 83 83 LYS HB3 H 1.664 0.030 2 882 83 83 LYS HD2 H 1.647 0.030 1 883 83 83 LYS HD3 H 1.647 0.030 1 884 83 83 LYS HE2 H 2.964 0.030 1 885 83 83 LYS HE3 H 2.964 0.030 1 886 83 83 LYS HG2 H 1.457 0.030 2 887 83 83 LYS HG3 H 1.393 0.030 2 888 83 83 LYS C C 176.398 0.300 1 889 83 83 LYS CA C 54.870 0.300 1 890 83 83 LYS CB C 34.293 0.300 1 891 83 83 LYS CD C 28.898 0.300 1 892 83 83 LYS CE C 42.382 0.300 1 893 83 83 LYS CG C 25.033 0.300 1 894 83 83 LYS N N 120.995 0.300 1 895 84 84 ASN H H 8.717 0.030 1 896 84 84 ASN HA H 4.459 0.030 1 897 84 84 ASN HB2 H 3.428 0.030 2 898 84 84 ASN HB3 H 2.501 0.030 2 899 84 84 ASN HD21 H 7.283 0.030 2 900 84 84 ASN HD22 H 6.845 0.030 2 901 84 84 ASN C C 173.595 0.300 1 902 84 84 ASN CA C 55.060 0.300 1 903 84 84 ASN CB C 36.558 0.300 1 904 84 84 ASN N N 113.900 0.300 1 905 84 84 ASN ND2 N 115.462 0.300 1 906 85 85 VAL H H 7.899 0.030 1 907 85 85 VAL HA H 5.266 0.030 1 908 85 85 VAL HB H 2.024 0.030 1 909 85 85 VAL HG1 H 1.007 0.030 1 910 85 85 VAL HG2 H 0.696 0.030 1 911 85 85 VAL C C 175.872 0.300 1 912 85 85 VAL CA C 60.388 0.300 1 913 85 85 VAL CB C 33.666 0.300 1 914 85 85 VAL CG1 C 23.323 0.300 2 915 85 85 VAL CG2 C 22.812 0.300 2 916 85 85 VAL N N 118.027 0.300 1 917 86 86 PHE H H 9.356 0.030 1 918 86 86 PHE HA H 5.375 0.030 1 919 86 86 PHE HB2 H 3.028 0.030 2 920 86 86 PHE HB3 H 2.935 0.030 2 921 86 86 PHE HD1 H 7.047 0.030 1 922 86 86 PHE HD2 H 7.047 0.030 1 923 86 86 PHE HE1 H 6.789 0.030 1 924 86 86 PHE HE2 H 6.789 0.030 1 925 86 86 PHE HZ H 6.336 0.030 1 926 86 86 PHE C C 171.300 0.300 1 927 86 86 PHE CA C 54.867 0.300 1 928 86 86 PHE CB C 42.258 0.300 1 929 86 86 PHE CD1 C 133.057 0.300 1 930 86 86 PHE CD2 C 133.057 0.300 1 931 86 86 PHE CE1 C 130.014 0.300 1 932 86 86 PHE CE2 C 130.014 0.300 1 933 86 86 PHE CZ C 129.147 0.300 1 934 86 86 PHE N N 122.405 0.300 1 935 87 87 ARG H H 9.152 0.030 1 936 87 87 ARG HA H 5.202 0.030 1 937 87 87 ARG HB2 H 2.069 0.030 2 938 87 87 ARG HB3 H 1.241 0.030 2 939 87 87 ARG HD2 H 3.155 0.030 2 940 87 87 ARG HD3 H 2.878 0.030 2 941 87 87 ARG HE H 7.445 0.030 1 942 87 87 ARG HG2 H 1.348 0.030 2 943 87 87 ARG HG3 H 1.448 0.030 2 944 87 87 ARG C C 174.262 0.300 1 945 87 87 ARG CA C 54.003 0.300 1 946 87 87 ARG CB C 34.118 0.300 1 947 87 87 ARG CD C 43.546 0.300 1 948 87 87 ARG CG C 26.617 0.300 1 949 87 87 ARG N N 122.403 0.300 1 950 87 87 ARG NE N 83.125 0.300 1 951 88 88 LEU H H 9.208 0.030 1 952 88 88 LEU HA H 5.266 0.030 1 953 88 88 LEU HB2 H 2.049 0.030 2 954 88 88 LEU HB3 H 1.488 0.030 2 955 88 88 LEU HD1 H 1.003 0.030 1 956 88 88 LEU HD2 H 0.894 0.030 1 957 88 88 LEU HG H 1.610 0.030 1 958 88 88 LEU C C 174.934 0.300 1 959 88 88 LEU CA C 54.020 0.300 1 960 88 88 LEU CB C 46.123 0.300 1 961 88 88 LEU CD1 C 26.982 0.300 2 962 88 88 LEU CD2 C 26.449 0.300 2 963 88 88 LEU CG C 28.285 0.300 1 964 88 88 LEU N N 129.909 0.300 1 965 89 89 THR H H 9.127 0.030 1 966 89 89 THR HA H 5.038 0.030 1 967 89 89 THR HB H 4.026 0.030 1 968 89 89 THR HG2 H 1.262 0.030 1 969 89 89 THR C C 174.297 0.300 1 970 89 89 THR CA C 62.629 0.300 1 971 89 89 THR CB C 70.609 0.300 1 972 89 89 THR CG2 C 21.730 0.300 1 973 89 89 THR N N 121.962 0.300 1 974 90 90 THR H H 9.202 0.030 1 975 90 90 THR HA H 4.971 0.030 1 976 90 90 THR HB H 4.824 0.030 1 977 90 90 THR HG2 H 1.191 0.030 1 978 90 90 THR C C 174.453 0.300 1 979 90 90 THR CA C 59.259 0.300 1 980 90 90 THR CB C 71.652 0.300 1 981 90 90 THR CG2 C 21.722 0.300 1 982 90 90 THR N N 119.283 0.300 1 983 91 91 SER H H 8.808 0.030 1 984 91 91 SER HA H 4.176 0.030 1 985 91 91 SER HB2 H 3.917 0.030 1 986 91 91 SER HB3 H 3.917 0.030 1 987 91 91 SER C C 174.886 0.300 1 988 91 91 SER CA C 61.253 0.300 1 989 91 91 SER CB C 63.056 0.300 1 990 91 91 SER N N 113.957 0.300 1 991 92 92 ASP H H 8.072 0.030 1 992 92 92 ASP HA H 4.837 0.030 1 993 92 92 ASP HB2 H 2.698 0.030 2 994 92 92 ASP HB3 H 2.538 0.030 2 995 92 92 ASP C C 175.393 0.300 1 996 92 92 ASP CA C 54.514 0.300 1 997 92 92 ASP CB C 43.574 0.300 1 998 92 92 ASP N N 116.822 0.300 1 999 93 93 CYS H H 7.723 0.030 1 1000 93 93 CYS HA H 4.787 0.030 1 1001 93 93 CYS HB2 H 2.914 0.030 1 1002 93 93 CYS HB3 H 2.914 0.030 1 1003 93 93 CYS C C 171.586 0.300 1 1004 93 93 CYS CA C 57.407 0.300 1 1005 93 93 CYS CB C 30.274 0.300 1 1006 93 93 CYS N N 116.819 0.300 1 1007 94 94 GLU H H 8.501 0.030 1 1008 94 94 GLU HA H 5.435 0.030 1 1009 94 94 GLU HB2 H 1.927 0.030 1 1010 94 94 GLU HB3 H 1.927 0.030 1 1011 94 94 GLU HG2 H 2.404 0.030 2 1012 94 94 GLU HG3 H 2.080 0.030 2 1013 94 94 GLU C C 175.528 0.300 1 1014 94 94 GLU CA C 55.590 0.300 1 1015 94 94 GLU CB C 33.250 0.300 1 1016 94 94 GLU CG C 36.609 0.300 1 1017 94 94 GLU N N 122.985 0.300 1 1018 95 95 CYS H H 9.251 0.030 1 1019 95 95 CYS HA H 4.650 0.030 1 1020 95 95 CYS HB2 H 2.617 0.030 2 1021 95 95 CYS HB3 H 2.435 0.030 2 1022 95 95 CYS C C 170.452 0.300 1 1023 95 95 CYS CA C 56.137 0.300 1 1024 95 95 CYS CB C 32.804 0.300 1 1025 95 95 CYS N N 120.651 0.300 1 1026 96 96 LEU H H 8.132 0.030 1 1027 96 96 LEU HA H 4.994 0.030 1 1028 96 96 LEU HB2 H 1.104 0.030 1 1029 96 96 LEU HB3 H 1.104 0.030 1 1030 96 96 LEU HD1 H 0.534 0.030 1 1031 96 96 LEU HD2 H 0.409 0.030 1 1032 96 96 LEU HG H 1.126 0.030 1 1033 96 96 LEU C C 174.848 0.300 1 1034 96 96 LEU CA C 52.605 0.300 1 1035 96 96 LEU CB C 45.290 0.300 1 1036 96 96 LEU CD1 C 26.184 0.300 2 1037 96 96 LEU CD2 C 22.570 0.300 2 1038 96 96 LEU CG C 26.398 0.300 1 1039 96 96 LEU N N 118.967 0.300 1 1040 97 97 PHE H H 8.506 0.030 1 1041 97 97 PHE HA H 5.734 0.030 1 1042 97 97 PHE HB2 H 2.232 0.030 2 1043 97 97 PHE HB3 H 0.943 0.030 2 1044 97 97 PHE HD1 H 6.717 0.030 1 1045 97 97 PHE HD2 H 6.717 0.030 1 1046 97 97 PHE HE1 H 6.783 0.030 1 1047 97 97 PHE HE2 H 6.783 0.030 1 1048 97 97 PHE HZ H 6.683 0.030 1 1049 97 97 PHE C C 174.465 0.300 1 1050 97 97 PHE CA C 55.590 0.300 1 1051 97 97 PHE CB C 43.929 0.300 1 1052 97 97 PHE CD1 C 132.090 0.300 1 1053 97 97 PHE CD2 C 132.090 0.300 1 1054 97 97 PHE CE1 C 130.300 0.300 1 1055 97 97 PHE CE2 C 130.300 0.300 1 1056 97 97 PHE CZ C 128.141 0.300 1 1057 97 97 PHE N N 116.241 0.300 1 1058 98 98 GLN H H 9.331 0.030 1 1059 98 98 GLN HA H 5.217 0.030 1 1060 98 98 GLN HB2 H 1.940 0.030 2 1061 98 98 GLN HB3 H 1.306 0.030 2 1062 98 98 GLN HE21 H 6.277 0.030 2 1063 98 98 GLN HE22 H 7.514 0.030 2 1064 98 98 GLN HG2 H 2.433 0.030 2 1065 98 98 GLN HG3 H 2.385 0.030 2 1066 98 98 GLN C C 175.670 0.300 1 1067 98 98 GLN CA C 54.513 0.300 1 1068 98 98 GLN CB C 31.387 0.300 1 1069 98 98 GLN CG C 32.492 0.300 1 1070 98 98 GLN N N 119.569 0.300 1 1071 98 98 GLN NE2 N 110.164 0.300 1 1072 99 99 ALA H H 8.542 0.030 1 1073 99 99 ALA HA H 5.096 0.030 1 1074 99 99 ALA HB H 1.794 0.030 1 1075 99 99 ALA C C 176.493 0.300 1 1076 99 99 ALA CA C 50.351 0.300 1 1077 99 99 ALA CB C 21.559 0.300 1 1078 99 99 ALA N N 130.956 0.300 1 1079 100 100 GLU H H 9.661 0.030 1 1080 100 100 GLU HA H 4.157 0.030 1 1081 100 100 GLU HB2 H 2.126 0.030 1 1082 100 100 GLU HB3 H 2.126 0.030 1 1083 100 100 GLU HG2 H 2.409 0.030 2 1084 100 100 GLU HG3 H 2.488 0.030 2 1085 100 100 GLU C C 176.387 0.300 1 1086 100 100 GLU CA C 58.871 0.300 1 1087 100 100 GLU CB C 30.665 0.300 1 1088 100 100 GLU CG C 36.544 0.300 1 1089 100 100 GLU N N 119.056 0.300 1 1090 101 101 ASP H H 7.726 0.030 1 1091 101 101 ASP HA H 4.621 0.030 1 1092 101 101 ASP HB2 H 2.986 0.030 2 1093 101 101 ASP HB3 H 3.098 0.030 2 1094 101 101 ASP C C 175.490 0.300 1 1095 101 101 ASP CA C 52.556 0.300 1 1096 101 101 ASP CB C 42.505 0.300 1 1097 101 101 ASP N N 112.381 0.300 1 1098 102 102 ARG H H 8.740 0.030 1 1099 102 102 ARG HA H 3.929 0.030 1 1100 102 102 ARG HB2 H 1.936 0.030 2 1101 102 102 ARG HB3 H 1.839 0.030 2 1102 102 102 ARG HD2 H 3.268 0.030 2 1103 102 102 ARG HD3 H 3.237 0.030 2 1104 102 102 ARG HG2 H 1.668 0.030 2 1105 102 102 ARG HG3 H 1.616 0.030 2 1106 102 102 ARG C C 177.638 0.300 1 1107 102 102 ARG CA C 60.106 0.300 1 1108 102 102 ARG CB C 30.039 0.300 1 1109 102 102 ARG CD C 43.305 0.300 1 1110 102 102 ARG CG C 28.001 0.300 1 1111 102 102 ARG N N 122.693 0.300 1 1112 103 103 ASP H H 8.247 0.030 1 1113 103 103 ASP HA H 4.379 0.030 1 1114 103 103 ASP HB2 H 2.711 0.030 2 1115 103 103 ASP HB3 H 2.605 0.030 2 1116 103 103 ASP C C 179.553 0.300 1 1117 103 103 ASP CA C 58.007 0.300 1 1118 103 103 ASP CB C 39.997 0.300 1 1119 103 103 ASP N N 119.108 0.300 1 1120 104 104 ASP H H 8.853 0.030 1 1121 104 104 ASP HA H 4.630 0.030 1 1122 104 104 ASP HB2 H 2.806 0.030 2 1123 104 104 ASP HB3 H 3.097 0.030 2 1124 104 104 ASP C C 178.119 0.300 1 1125 104 104 ASP CA C 57.213 0.300 1 1126 104 104 ASP CB C 42.607 0.300 1 1127 104 104 ASP N N 122.452 0.300 1 1128 105 105 MET H H 8.037 0.030 1 1129 105 105 MET HA H 3.796 0.030 1 1130 105 105 MET HB2 H 2.698 0.030 2 1131 105 105 MET HB3 H 2.070 0.030 2 1132 105 105 MET HE H 2.112 0.030 1 1133 105 105 MET HG2 H 2.457 0.030 2 1134 105 105 MET HG3 H 2.218 0.030 2 1135 105 105 MET C C 177.475 0.300 1 1136 105 105 MET CA C 60.494 0.300 1 1137 105 105 MET CB C 32.967 0.300 1 1138 105 105 MET CE C 17.138 0.300 1 1139 105 105 MET CG C 31.929 0.300 1 1140 105 105 MET N N 118.772 0.300 1 1141 106 106 LEU H H 8.573 0.030 1 1142 106 106 LEU HA H 3.889 0.030 1 1143 106 106 LEU HB2 H 1.936 0.030 2 1144 106 106 LEU HB3 H 1.466 0.030 2 1145 106 106 LEU HD1 H 0.920 0.030 1 1146 106 106 LEU HD2 H 0.836 0.030 1 1147 106 106 LEU HG H 1.931 0.030 1 1148 106 106 LEU C C 179.475 0.300 1 1149 106 106 LEU CA C 57.918 0.300 1 1150 106 106 LEU CB C 40.947 0.300 1 1151 106 106 LEU CD1 C 25.579 0.300 2 1152 106 106 LEU CD2 C 22.163 0.300 2 1153 106 106 LEU CG C 26.967 0.300 1 1154 106 106 LEU N N 117.241 0.300 1 1155 107 107 ALA H H 8.114 0.030 1 1156 107 107 ALA HA H 4.155 0.030 1 1157 107 107 ALA HB H 1.449 0.030 1 1158 107 107 ALA C C 181.384 0.300 1 1159 107 107 ALA CA C 55.025 0.300 1 1160 107 107 ALA CB C 18.203 0.300 1 1161 107 107 ALA N N 122.595 0.300 1 1162 108 108 TRP H H 8.474 0.030 1 1163 108 108 TRP HA H 3.863 0.030 1 1164 108 108 TRP HB2 H 2.811 0.030 2 1165 108 108 TRP HB3 H 3.252 0.030 2 1166 108 108 TRP HD1 H 7.213 0.030 1 1167 108 108 TRP HE1 H 10.657 0.030 1 1168 108 108 TRP HE3 H 7.157 0.030 1 1169 108 108 TRP HH2 H 6.706 0.030 1 1170 108 108 TRP HZ2 H 6.822 0.030 1 1171 108 108 TRP HZ3 H 6.543 0.030 1 1172 108 108 TRP C C 178.101 0.300 1 1173 108 108 TRP CA C 62.170 0.300 1 1174 108 108 TRP CB C 29.652 0.300 1 1175 108 108 TRP CD1 C 127.490 0.300 1 1176 108 108 TRP CE3 C 118.607 0.300 1 1177 108 108 TRP CH2 C 124.785 0.300 1 1178 108 108 TRP CZ2 C 113.963 0.300 1 1179 108 108 TRP CZ3 C 121.050 0.300 1 1180 108 108 TRP N N 122.052 0.300 1 1181 108 108 TRP NE1 N 130.456 0.300 1 1182 109 109 ILE H H 8.074 0.030 1 1183 109 109 ILE HA H 3.158 0.030 1 1184 109 109 ILE HB H 1.585 0.030 1 1185 109 109 ILE HD1 H 0.599 0.030 1 1186 109 109 ILE HG12 H 1.195 0.030 2 1187 109 109 ILE HG13 H 0.226 0.030 2 1188 109 109 ILE HG2 H 0.673 0.030 1 1189 109 109 ILE C C 177.126 0.300 1 1190 109 109 ILE CA C 66.404 0.300 1 1191 109 109 ILE CB C 38.312 0.300 1 1192 109 109 ILE CD1 C 14.899 0.300 1 1193 109 109 ILE CG1 C 28.309 0.300 1 1194 109 109 ILE CG2 C 16.183 0.300 1 1195 109 109 ILE N N 117.590 0.300 1 1196 110 110 LYS H H 8.028 0.030 1 1197 110 110 LYS HA H 4.009 0.030 1 1198 110 110 LYS HB2 H 1.879 0.030 2 1199 110 110 LYS HB3 H 1.789 0.030 2 1200 110 110 LYS HD2 H 1.637 0.030 2 1201 110 110 LYS HD3 H 1.592 0.030 2 1202 110 110 LYS HE2 H 2.960 0.030 1 1203 110 110 LYS HE3 H 2.960 0.030 1 1204 110 110 LYS HG2 H 1.283 0.030 2 1205 110 110 LYS HG3 H 1.410 0.030 2 1206 110 110 LYS C C 178.689 0.300 1 1207 110 110 LYS CA C 59.489 0.300 1 1208 110 110 LYS CB C 32.926 0.300 1 1209 110 110 LYS CD C 29.555 0.300 1 1210 110 110 LYS CE C 42.382 0.300 1 1211 110 110 LYS CG C 24.564 0.300 1 1212 110 110 LYS N N 118.632 0.300 1 1213 111 111 THR H H 7.827 0.030 1 1214 111 111 THR HA H 3.903 0.030 1 1215 111 111 THR HB H 3.803 0.030 1 1216 111 111 THR HG2 H 1.049 0.030 1 1217 111 111 THR C C 177.345 0.300 1 1218 111 111 THR CA C 66.810 0.300 1 1219 111 111 THR CB C 68.317 0.300 1 1220 111 111 THR CG2 C 22.352 0.300 1 1221 111 111 THR N N 113.741 0.300 1 1222 112 112 ILE H H 8.599 0.030 1 1223 112 112 ILE HA H 3.495 0.030 1 1224 112 112 ILE HB H 1.828 0.030 1 1225 112 112 ILE HD1 H 0.809 0.030 1 1226 112 112 ILE HG12 H 2.159 0.030 2 1227 112 112 ILE HG13 H 0.837 0.030 2 1228 112 112 ILE HG2 H 0.826 0.030 1 1229 112 112 ILE C C 178.789 0.300 1 1230 112 112 ILE CA C 66.668 0.300 1 1231 112 112 ILE CB C 37.803 0.300 1 1232 112 112 ILE CD1 C 14.003 0.300 1 1233 112 112 ILE CG1 C 30.990 0.300 1 1234 112 112 ILE CG2 C 18.513 0.300 1 1235 112 112 ILE N N 122.806 0.300 1 1236 113 113 GLN H H 8.682 0.030 1 1237 113 113 GLN HA H 3.895 0.030 1 1238 113 113 GLN HB2 H 2.312 0.030 2 1239 113 113 GLN HB3 H 2.036 0.030 2 1240 113 113 GLN HE21 H 6.787 0.030 2 1241 113 113 GLN HE22 H 7.250 0.030 2 1242 113 113 GLN HG2 H 2.539 0.030 2 1243 113 113 GLN HG3 H 2.317 0.030 2 1244 113 113 GLN C C 179.493 0.300 1 1245 113 113 GLN CA C 59.876 0.300 1 1246 113 113 GLN CB C 28.292 0.300 1 1247 113 113 GLN CG C 34.799 0.300 1 1248 113 113 GLN N N 119.729 0.300 1 1249 113 113 GLN NE2 N 110.882 0.300 1 1250 114 114 GLU H H 8.223 0.030 1 1251 114 114 GLU HA H 4.119 0.030 1 1252 114 114 GLU HB2 H 2.154 0.030 2 1253 114 114 GLU HB3 H 2.079 0.030 2 1254 114 114 GLU HG2 H 2.549 0.030 2 1255 114 114 GLU HG3 H 2.291 0.030 2 1256 114 114 GLU C C 178.422 0.300 1 1257 114 114 GLU CA C 58.677 0.300 1 1258 114 114 GLU CB C 29.369 0.300 1 1259 114 114 GLU CG C 36.835 0.300 1 1260 114 114 GLU N N 118.284 0.300 1 1261 115 115 SER H H 7.773 0.030 1 1262 115 115 SER HA H 4.344 0.030 1 1263 115 115 SER HB2 H 3.991 0.030 1 1264 115 115 SER HB3 H 3.991 0.030 1 1265 115 115 SER C C 174.831 0.300 1 1266 115 115 SER CA C 60.882 0.300 1 1267 115 115 SER CB C 63.553 0.300 1 1268 115 115 SER N N 115.318 0.300 1 1269 116 116 SER H H 7.678 0.030 1 1270 116 116 SER HA H 4.500 0.030 1 1271 116 116 SER HB2 H 4.149 0.030 2 1272 116 116 SER HB3 H 4.017 0.030 2 1273 116 116 SER C C 175.022 0.300 1 1274 116 116 SER CA C 59.206 0.300 1 1275 116 116 SER CB C 64.609 0.300 1 1276 116 116 SER N N 114.716 0.300 1 1277 117 117 ASN H H 8.180 0.030 1 1278 117 117 ASN HA H 4.812 0.030 1 1279 117 117 ASN HB2 H 2.898 0.030 2 1280 117 117 ASN HB3 H 2.820 0.030 2 1281 117 117 ASN HD21 H 7.597 0.030 2 1282 117 117 ASN HD22 H 6.886 0.030 2 1283 117 117 ASN C C 175.485 0.300 1 1284 117 117 ASN CA C 53.473 0.300 1 1285 117 117 ASN CB C 38.846 0.300 1 1286 117 117 ASN N N 120.447 0.300 1 1287 117 117 ASN ND2 N 112.458 0.300 1 1288 118 118 LEU H H 8.095 0.030 1 1289 118 118 LEU HA H 4.287 0.030 1 1290 118 118 LEU HB2 H 1.703 0.030 2 1291 118 118 LEU HB3 H 1.590 0.030 2 1292 118 118 LEU HD1 H 0.891 0.030 1 1293 118 118 LEU HD2 H 0.842 0.030 1 1294 118 118 LEU HG H 1.637 0.030 1 1295 118 118 LEU C C 177.375 0.300 1 1296 118 118 LEU CA C 55.731 0.300 1 1297 118 118 LEU CB C 42.176 0.300 1 1298 118 118 LEU CD1 C 24.976 0.300 2 1299 118 118 LEU CD2 C 23.381 0.300 2 1300 118 118 LEU CG C 26.942 0.300 1 1301 118 118 LEU N N 121.536 0.300 1 1302 119 119 ASN H H 8.341 0.030 1 1303 119 119 ASN HA H 4.799 0.030 1 1304 119 119 ASN HB2 H 2.827 0.030 1 1305 119 119 ASN HB3 H 2.827 0.030 1 1306 119 119 ASN HD21 H 7.578 0.030 2 1307 119 119 ASN HD22 H 6.934 0.030 2 1308 119 119 ASN C C 175.230 0.300 1 1309 119 119 ASN CA C 53.315 0.300 1 1310 119 119 ASN CB C 39.052 0.300 1 1311 119 119 ASN N N 118.886 0.300 1 1312 119 119 ASN ND2 N 112.911 0.300 1 1313 120 120 SER H H 8.221 0.030 1 1314 120 120 SER HA H 4.506 0.030 1 1315 120 120 SER HB2 H 3.899 0.030 2 1316 120 120 SER HB3 H 3.853 0.030 2 1317 120 120 SER C C 174.509 0.300 1 1318 120 120 SER CA C 58.295 0.300 1 1319 120 120 SER CB C 64.088 0.300 1 1320 120 120 SER N N 115.912 0.300 1 1321 121 121 GLY H H 8.280 0.030 1 1322 121 121 GLY HA2 H 4.079 0.030 2 1323 121 121 GLY HA3 H 4.207 0.030 2 1324 121 121 GLY C C 171.881 0.300 1 1325 121 121 GLY CA C 44.723 0.300 1 1326 121 121 GLY N N 110.769 0.300 1 1327 122 122 PRO HA H 4.480 0.030 1 1328 122 122 PRO HB2 H 2.299 0.030 2 1329 122 122 PRO HB3 H 1.974 0.030 2 1330 122 122 PRO HD2 H 3.612 0.030 1 1331 122 122 PRO HD3 H 3.612 0.030 1 1332 122 122 PRO HG2 H 2.025 0.030 1 1333 122 122 PRO HG3 H 2.025 0.030 1 1334 122 122 PRO C C 177.449 0.300 1 1335 122 122 PRO CA C 63.263 0.300 1 1336 122 122 PRO CB C 32.186 0.300 1 1337 122 122 PRO CD C 49.765 0.300 1 1338 122 122 PRO CG C 26.924 0.300 1 1339 123 123 SER H H 8.554 0.030 1 1340 123 123 SER C C 174.739 0.300 1 1341 123 123 SER CA C 58.413 0.300 1 1342 123 123 SER CB C 64.005 0.300 1 1343 123 123 SER N N 116.518 0.300 1 stop_ save_