data_10280 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of Oxysterol binding protein-related protein 11 from human ; _BMRB_accession_number 10280 _BMRB_flat_file_name bmr10280.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _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 Sato M. . . 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" 656 "13C chemical shifts" 497 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 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 Oxysterol binding protein-related protein 11 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 Sato M. . . 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 'Oxysterol binding protein-related protein 11' _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 120 _Mol_residue_sequence ; GSSGSSGENVYGYLMKYTNL VTGWQYRFFVLNNEAGLLEY FVNEQSRNQKPRGTLQLAGA VISPSDEDSHTFTVNAASGE QYKLRATDAKERQHWVSRLQ ICTQHHTEAIGKNNSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 ASN 10 VAL 11 TYR 12 GLY 13 TYR 14 LEU 15 MET 16 LYS 17 TYR 18 THR 19 ASN 20 LEU 21 VAL 22 THR 23 GLY 24 TRP 25 GLN 26 TYR 27 ARG 28 PHE 29 PHE 30 VAL 31 LEU 32 ASN 33 ASN 34 GLU 35 ALA 36 GLY 37 LEU 38 LEU 39 GLU 40 TYR 41 PHE 42 VAL 43 ASN 44 GLU 45 GLN 46 SER 47 ARG 48 ASN 49 GLN 50 LYS 51 PRO 52 ARG 53 GLY 54 THR 55 LEU 56 GLN 57 LEU 58 ALA 59 GLY 60 ALA 61 VAL 62 ILE 63 SER 64 PRO 65 SER 66 ASP 67 GLU 68 ASP 69 SER 70 HIS 71 THR 72 PHE 73 THR 74 VAL 75 ASN 76 ALA 77 ALA 78 SER 79 GLY 80 GLU 81 GLN 82 TYR 83 LYS 84 LEU 85 ARG 86 ALA 87 THR 88 ASP 89 ALA 90 LYS 91 GLU 92 ARG 93 GLN 94 HIS 95 TRP 96 VAL 97 SER 98 ARG 99 LEU 100 GLN 101 ILE 102 CYS 103 THR 104 GLN 105 HIS 106 HIS 107 THR 108 GLU 109 ALA 110 ILE 111 GLY 112 LYS 113 ASN 114 ASN 115 SER 116 GLY 117 PRO 118 SER 119 SER 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2D9X "Solution Structure Of The Ph Domain Of Oxysterol Binding Protein-Related Protein 11 From Human" 100.00 120 100.00 100.00 3.32e-83 DBJ BAF85391 "unnamed protein product [Homo sapiens]" 89.17 747 100.00 100.00 4.07e-68 DBJ BAG10618 "oxysterol-binding protein-related protein 11 [synthetic construct]" 89.17 747 100.00 100.00 4.07e-68 GB AAH35278 "Oxysterol binding protein-like 11 [Mus musculus]" 89.17 757 98.13 99.07 5.13e-66 GB AAH65213 "Oxysterol binding protein-like 11 [Homo sapiens]" 89.17 747 100.00 100.00 4.07e-68 GB AAI68952 "Oxysterol binding protein-like 11 [Rattus norvegicus]" 89.17 754 98.13 99.07 5.86e-66 GB AAK31141 "OSBP related protein 11 [Homo sapiens]" 89.17 315 100.00 100.00 1.79e-72 GB AAL40667 "oxysterol-binding protein-like protein OSBPL11 [Homo sapiens]" 89.17 747 100.00 100.00 4.07e-68 REF NP_001100560 "oxysterol-binding protein-related protein 11 [Rattus norvegicus]" 89.17 754 98.13 99.07 5.86e-66 REF NP_001179937 "oxysterol-binding protein-related protein 11 [Bos taurus]" 89.17 758 100.00 100.00 4.18e-68 REF NP_073613 "oxysterol-binding protein-related protein 11 [Homo sapiens]" 89.17 747 100.00 100.00 4.07e-68 REF NP_789810 "oxysterol-binding protein-related protein 11 [Mus musculus]" 89.17 757 98.13 99.07 5.98e-66 REF XP_001114179 "PREDICTED: oxysterol-binding protein-related protein 11-like [Macaca mulatta]" 89.17 751 100.00 100.00 3.34e-68 SP Q8CI95 "RecName: Full=Oxysterol-binding protein-related protein 11; Short=ORP-11; Short=OSBP-related protein 11" 89.17 751 98.13 99.07 4.97e-66 SP Q9BXB4 "RecName: Full=Oxysterol-binding protein-related protein 11; Short=ORP-11; Short=OSBP-related protein 11" 89.17 747 100.00 100.00 4.07e-68 TPG DAA33462 "TPA: oxysterol binding protein-like 11 [Bos taurus]" 89.17 758 100.00 100.00 4.18e-68 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 P050404-14 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 1.16 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 800 _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 7 7 GLY HA2 H 3.972 0.030 1 2 7 7 GLY HA3 H 3.972 0.030 1 3 7 7 GLY C C 173.812 0.300 1 4 7 7 GLY CA C 45.537 0.300 1 5 8 8 GLU H H 8.178 0.030 1 6 8 8 GLU HA H 4.372 0.030 1 7 8 8 GLU HB2 H 1.903 0.030 2 8 8 8 GLU HB3 H 2.102 0.030 2 9 8 8 GLU HG2 H 2.253 0.030 2 10 8 8 GLU HG3 H 2.232 0.030 2 11 8 8 GLU C C 176.017 0.300 1 12 8 8 GLU CA C 55.945 0.300 1 13 8 8 GLU CB C 30.945 0.300 1 14 8 8 GLU CG C 36.354 0.300 1 15 8 8 GLU N N 119.515 0.300 1 16 9 9 ASN H H 8.411 0.030 1 17 9 9 ASN HA H 4.954 0.030 1 18 9 9 ASN HB2 H 2.853 0.030 1 19 9 9 ASN HB3 H 2.853 0.030 1 20 9 9 ASN HD21 H 7.490 0.030 2 21 9 9 ASN HD22 H 7.253 0.030 2 22 9 9 ASN C C 174.863 0.300 1 23 9 9 ASN CA C 53.018 0.300 1 24 9 9 ASN CB C 38.840 0.300 1 25 9 9 ASN N N 120.622 0.300 1 26 9 9 ASN ND2 N 111.907 0.300 1 27 10 10 VAL H H 7.873 0.030 1 28 10 10 VAL HA H 4.004 0.030 1 29 10 10 VAL HB H 1.513 0.030 1 30 10 10 VAL HG1 H -0.137 0.030 1 31 10 10 VAL HG2 H 0.463 0.030 1 32 10 10 VAL C C 172.717 0.300 1 33 10 10 VAL CA C 61.534 0.300 1 34 10 10 VAL CB C 33.495 0.300 1 35 10 10 VAL CG1 C 20.172 0.300 2 36 10 10 VAL CG2 C 21.141 0.300 2 37 10 10 VAL N N 120.787 0.300 1 38 11 11 TYR H H 7.784 0.030 1 39 11 11 TYR HA H 5.703 0.030 1 40 11 11 TYR HB2 H 3.213 0.030 2 41 11 11 TYR HB3 H 3.013 0.030 2 42 11 11 TYR HD1 H 7.133 0.030 1 43 11 11 TYR HD2 H 7.133 0.030 1 44 11 11 TYR HE1 H 6.963 0.030 1 45 11 11 TYR HE2 H 6.963 0.030 1 46 11 11 TYR C C 175.517 0.300 1 47 11 11 TYR CA C 55.095 0.300 1 48 11 11 TYR CB C 41.348 0.300 1 49 11 11 TYR CD1 C 134.191 0.300 1 50 11 11 TYR CD2 C 134.191 0.300 1 51 11 11 TYR CE1 C 118.284 0.300 1 52 11 11 TYR CE2 C 118.284 0.300 1 53 11 11 TYR N N 120.966 0.300 1 54 12 12 GLY H H 8.623 0.030 1 55 12 12 GLY HA2 H 4.968 0.030 2 56 12 12 GLY HA3 H 4.163 0.030 2 57 12 12 GLY C C 172.098 0.300 1 58 12 12 GLY CA C 45.453 0.300 1 59 12 12 GLY N N 107.529 0.300 1 60 13 13 TYR H H 9.223 0.030 1 61 13 13 TYR HA H 5.534 0.030 1 62 13 13 TYR HB2 H 3.029 0.030 2 63 13 13 TYR HB3 H 2.592 0.030 2 64 13 13 TYR HD1 H 7.113 0.030 1 65 13 13 TYR HD2 H 7.113 0.030 1 66 13 13 TYR HE1 H 7.052 0.030 1 67 13 13 TYR HE2 H 7.052 0.030 1 68 13 13 TYR C C 178.018 0.300 1 69 13 13 TYR CA C 59.018 0.300 1 70 13 13 TYR CB C 40.420 0.300 1 71 13 13 TYR CD1 C 134.173 0.300 1 72 13 13 TYR CD2 C 134.173 0.300 1 73 13 13 TYR CE1 C 118.863 0.300 1 74 13 13 TYR CE2 C 118.863 0.300 1 75 13 13 TYR N N 118.529 0.300 1 76 14 14 LEU H H 9.362 0.030 1 77 14 14 LEU HA H 4.685 0.030 1 78 14 14 LEU HB2 H 1.204 0.030 2 79 14 14 LEU HB3 H 0.803 0.030 2 80 14 14 LEU HD1 H -1.047 0.030 1 81 14 14 LEU HD2 H 0.585 0.030 1 82 14 14 LEU HG H 0.913 0.030 1 83 14 14 LEU C C 175.968 0.300 1 84 14 14 LEU CA C 54.268 0.300 1 85 14 14 LEU CB C 47.727 0.300 1 86 14 14 LEU CD1 C 24.366 0.300 2 87 14 14 LEU CD2 C 23.197 0.300 2 88 14 14 LEU CG C 26.669 0.300 1 89 14 14 LEU N N 121.668 0.300 1 90 15 15 MET H H 8.103 0.030 1 91 15 15 MET HA H 5.103 0.030 1 92 15 15 MET HB2 H 2.053 0.030 2 93 15 15 MET HB3 H 1.920 0.030 2 94 15 15 MET HE H 1.753 0.030 1 95 15 15 MET HG2 H 2.290 0.030 2 96 15 15 MET HG3 H 2.023 0.030 2 97 15 15 MET C C 174.839 0.300 1 98 15 15 MET CA C 54.813 0.300 1 99 15 15 MET CB C 34.934 0.300 1 100 15 15 MET CE C 17.395 0.300 1 101 15 15 MET CG C 32.425 0.300 1 102 15 15 MET N N 117.896 0.300 1 103 16 16 LYS H H 9.654 0.030 1 104 16 16 LYS HA H 5.183 0.030 1 105 16 16 LYS HB2 H 1.550 0.030 2 106 16 16 LYS HB3 H 1.263 0.030 2 107 16 16 LYS HD2 H 0.804 0.030 2 108 16 16 LYS HD3 H 0.353 0.030 2 109 16 16 LYS HE2 H 2.023 0.030 2 110 16 16 LYS HE3 H 1.703 0.030 2 111 16 16 LYS HG2 H 1.063 0.030 2 112 16 16 LYS HG3 H 0.803 0.030 2 113 16 16 LYS C C 175.411 0.300 1 114 16 16 LYS CA C 54.004 0.300 1 115 16 16 LYS CB C 36.625 0.300 1 116 16 16 LYS CD C 28.889 0.300 1 117 16 16 LYS CE C 41.883 0.300 1 118 16 16 LYS CG C 25.153 0.300 1 119 16 16 LYS N N 124.049 0.300 1 120 17 17 TYR H H 8.411 0.030 1 121 17 17 TYR HA H 3.393 0.030 1 122 17 17 TYR HB2 H 2.003 0.030 2 123 17 17 TYR HB3 H 0.594 0.030 2 124 17 17 TYR HD1 H 5.543 0.030 1 125 17 17 TYR HD2 H 5.543 0.030 1 126 17 17 TYR HE1 H 6.423 0.030 1 127 17 17 TYR HE2 H 6.423 0.030 1 128 17 17 TYR C C 175.570 0.300 1 129 17 17 TYR CA C 59.388 0.300 1 130 17 17 TYR CB C 37.395 0.300 1 131 17 17 TYR CD1 C 132.012 0.300 1 132 17 17 TYR CD2 C 132.012 0.300 1 133 17 17 TYR CE1 C 117.575 0.300 1 134 17 17 TYR CE2 C 117.575 0.300 1 135 17 17 TYR N N 130.520 0.300 1 136 18 18 THR H H 6.845 0.030 1 137 18 18 THR HA H 4.103 0.030 1 138 18 18 THR HB H 3.842 0.030 1 139 18 18 THR HG2 H 1.013 0.030 1 140 18 18 THR C C 172.379 0.300 1 141 18 18 THR CA C 61.939 0.300 1 142 18 18 THR CB C 69.097 0.300 1 143 18 18 THR CG2 C 21.194 0.300 1 144 18 18 THR N N 122.314 0.300 1 145 19 19 ASN H H 7.650 0.030 1 146 19 19 ASN HA H 4.227 0.030 1 147 19 19 ASN HB2 H 3.073 0.030 1 148 19 19 ASN HB3 H 3.073 0.030 1 149 19 19 ASN HD21 H 7.613 0.030 2 150 19 19 ASN HD22 H 6.863 0.030 2 151 19 19 ASN CA C 52.315 0.300 1 152 19 19 ASN CB C 38.840 0.300 1 153 19 19 ASN N N 116.686 0.300 1 154 19 19 ASN ND2 N 114.657 0.300 1 155 20 20 LEU H H 8.088 0.030 1 156 20 20 LEU HA H 4.200 0.030 1 157 20 20 LEU HB2 H 1.714 0.030 2 158 20 20 LEU HB3 H 1.623 0.030 2 159 20 20 LEU HD1 H 0.951 0.030 1 160 20 20 LEU HD2 H 0.949 0.030 1 161 20 20 LEU HG H 1.703 0.030 1 162 20 20 LEU C C 178.460 0.300 1 163 20 20 LEU CA C 57.769 0.300 1 164 20 20 LEU CB C 42.705 0.300 1 165 20 20 LEU CD1 C 24.631 0.300 2 166 20 20 LEU CD2 C 24.341 0.300 2 167 20 20 LEU CG C 27.086 0.300 1 168 20 20 LEU N N 117.127 0.300 1 169 21 21 VAL H H 8.002 0.030 1 170 21 21 VAL HA H 3.833 0.030 1 171 21 21 VAL HB H 2.093 0.030 1 172 21 21 VAL HG1 H 0.923 0.030 1 173 21 21 VAL HG2 H 0.913 0.030 1 174 21 21 VAL C C 177.886 0.300 1 175 21 21 VAL CA C 65.105 0.300 1 176 21 21 VAL CB C 32.173 0.300 1 177 21 21 VAL CG1 C 21.555 0.300 2 178 21 21 VAL CG2 C 21.406 0.300 2 179 21 21 VAL N N 118.036 0.300 1 180 22 22 THR H H 8.102 0.030 1 181 22 22 THR HA H 4.123 0.030 1 182 22 22 THR HB H 4.071 0.030 1 183 22 22 THR HG2 H 1.133 0.030 1 184 22 22 THR C C 175.837 0.300 1 185 22 22 THR CA C 63.117 0.300 1 186 22 22 THR CB C 69.169 0.300 1 187 22 22 THR CG2 C 22.310 0.300 1 188 22 22 THR N N 111.664 0.300 1 189 23 23 GLY H H 7.961 0.030 1 190 23 23 GLY HA2 H 4.014 0.030 2 191 23 23 GLY HA3 H 3.533 0.030 2 192 23 23 GLY C C 174.703 0.300 1 193 23 23 GLY CA C 46.104 0.300 1 194 23 23 GLY N N 109.668 0.300 1 195 24 24 TRP H H 8.990 0.030 1 196 24 24 TRP HA H 4.682 0.030 1 197 24 24 TRP HB2 H 3.023 0.030 2 198 24 24 TRP HB3 H 3.113 0.030 2 199 24 24 TRP HD1 H 7.483 0.030 1 200 24 24 TRP HE1 H 10.341 0.030 1 201 24 24 TRP HE3 H 6.990 0.030 1 202 24 24 TRP HH2 H 6.695 0.030 1 203 24 24 TRP HZ2 H 7.278 0.030 1 204 24 24 TRP HZ3 H 6.772 0.030 1 205 24 24 TRP C C 176.262 0.300 1 206 24 24 TRP CA C 57.117 0.300 1 207 24 24 TRP CB C 29.896 0.300 1 208 24 24 TRP CD1 C 128.108 0.300 1 209 24 24 TRP CE3 C 119.716 0.300 1 210 24 24 TRP CH2 C 123.539 0.300 1 211 24 24 TRP CZ2 C 114.649 0.300 1 212 24 24 TRP CZ3 C 123.381 0.300 1 213 24 24 TRP N N 127.098 0.300 1 214 24 24 TRP NE1 N 131.316 0.300 1 215 25 25 GLN H H 8.880 0.030 1 216 25 25 GLN HA H 4.803 0.030 1 217 25 25 GLN HB2 H 2.024 0.030 2 218 25 25 GLN HB3 H 1.773 0.030 2 219 25 25 GLN HE21 H 7.663 0.030 2 220 25 25 GLN HE22 H 6.953 0.030 2 221 25 25 GLN HG2 H 2.227 0.030 1 222 25 25 GLN HG3 H 2.227 0.030 1 223 25 25 GLN C C 175.233 0.300 1 224 25 25 GLN CA C 54.004 0.300 1 225 25 25 GLN CB C 32.714 0.300 1 226 25 25 GLN CG C 33.906 0.300 1 227 25 25 GLN N N 120.673 0.300 1 228 25 25 GLN NE2 N 113.667 0.300 1 229 26 26 TYR H H 9.282 0.030 1 230 26 26 TYR HA H 5.042 0.030 1 231 26 26 TYR HB2 H 3.133 0.030 2 232 26 26 TYR HB3 H 3.013 0.030 2 233 26 26 TYR HD1 H 7.096 0.030 1 234 26 26 TYR HD2 H 7.096 0.030 1 235 26 26 TYR HE1 H 6.597 0.030 1 236 26 26 TYR HE2 H 6.597 0.030 1 237 26 26 TYR C C 177.006 0.300 1 238 26 26 TYR CA C 59.757 0.300 1 239 26 26 TYR CB C 39.410 0.300 1 240 26 26 TYR CD1 C 132.379 0.300 1 241 26 26 TYR CD2 C 132.379 0.300 1 242 26 26 TYR CE1 C 118.630 0.300 1 243 26 26 TYR CE2 C 118.630 0.300 1 244 26 26 TYR N N 125.773 0.300 1 245 27 27 ARG H H 9.334 0.030 1 246 27 27 ARG HA H 5.062 0.030 1 247 27 27 ARG HB2 H 1.644 0.030 2 248 27 27 ARG HB3 H 1.753 0.030 2 249 27 27 ARG HD2 H 3.873 0.030 2 250 27 27 ARG HD3 H 2.973 0.030 2 251 27 27 ARG HG2 H 1.313 0.030 1 252 27 27 ARG HG3 H 1.313 0.030 1 253 27 27 ARG C C 172.334 0.300 1 254 27 27 ARG CA C 53.230 0.300 1 255 27 27 ARG CB C 34.957 0.300 1 256 27 27 ARG CD C 43.692 0.300 1 257 27 27 ARG CG C 27.245 0.300 1 258 27 27 ARG N N 126.344 0.300 1 259 28 28 PHE H H 8.343 0.030 1 260 28 28 PHE HA H 4.344 0.030 1 261 28 28 PHE HB2 H 2.442 0.030 2 262 28 28 PHE HB3 H 2.083 0.030 2 263 28 28 PHE HD1 H 6.103 0.030 1 264 28 28 PHE HD2 H 6.103 0.030 1 265 28 28 PHE HE1 H 7.072 0.030 1 266 28 28 PHE HE2 H 7.072 0.030 1 267 28 28 PHE HZ H 7.213 0.030 1 268 28 28 PHE C C 173.283 0.300 1 269 28 28 PHE CA C 57.945 0.300 1 270 28 28 PHE CB C 41.143 0.300 1 271 28 28 PHE CD1 C 131.355 0.300 1 272 28 28 PHE CD2 C 131.355 0.300 1 273 28 28 PHE CE1 C 131.321 0.300 1 274 28 28 PHE CE2 C 131.321 0.300 1 275 28 28 PHE CZ C 130.268 0.300 1 276 28 28 PHE N N 121.909 0.300 1 277 29 29 PHE H H 8.854 0.030 1 278 29 29 PHE HA H 5.223 0.030 1 279 29 29 PHE HB2 H 2.903 0.030 2 280 29 29 PHE HB3 H 2.653 0.030 2 281 29 29 PHE HD1 H 7.013 0.030 1 282 29 29 PHE HD2 H 7.013 0.030 1 283 29 29 PHE HE1 H 6.743 0.030 1 284 29 29 PHE HE2 H 6.743 0.030 1 285 29 29 PHE HZ H 6.083 0.030 1 286 29 29 PHE C C 174.399 0.300 1 287 29 29 PHE CA C 57.452 0.300 1 288 29 29 PHE CB C 43.527 0.300 1 289 29 29 PHE CD1 C 132.168 0.300 1 290 29 29 PHE CD2 C 132.168 0.300 1 291 29 29 PHE CE1 C 130.439 0.300 1 292 29 29 PHE CE2 C 130.439 0.300 1 293 29 29 PHE CZ C 128.745 0.300 1 294 29 29 PHE N N 127.575 0.300 1 295 30 30 VAL H H 9.228 0.030 1 296 30 30 VAL HA H 4.711 0.030 1 297 30 30 VAL HB H 2.373 0.030 1 298 30 30 VAL HG1 H 0.979 0.030 1 299 30 30 VAL HG2 H 1.164 0.030 1 300 30 30 VAL C C 175.346 0.300 1 301 30 30 VAL CA C 61.709 0.300 1 302 30 30 VAL CB C 36.784 0.300 1 303 30 30 VAL CG1 C 20.877 0.300 2 304 30 30 VAL CG2 C 22.393 0.300 2 305 30 30 VAL N N 117.913 0.300 1 306 31 31 LEU H H 9.231 0.030 1 307 31 31 LEU HA H 4.916 0.030 1 308 31 31 LEU HB2 H 2.169 0.030 2 309 31 31 LEU HB3 H 1.433 0.030 2 310 31 31 LEU HD1 H 0.923 0.030 1 311 31 31 LEU HD2 H 0.852 0.030 1 312 31 31 LEU HG H 1.563 0.030 1 313 31 31 LEU C C 174.080 0.300 1 314 31 31 LEU CA C 54.443 0.300 1 315 31 31 LEU CB C 43.645 0.300 1 316 31 31 LEU CD1 C 25.452 0.300 2 317 31 31 LEU CD2 C 25.600 0.300 2 318 31 31 LEU CG C 28.396 0.300 1 319 31 31 LEU N N 129.428 0.300 1 320 32 32 ASN H H 9.033 0.030 1 321 32 32 ASN HA H 4.859 0.030 1 322 32 32 ASN HB2 H 3.173 0.030 2 323 32 32 ASN HB3 H 2.833 0.030 2 324 32 32 ASN HD21 H 7.093 0.030 2 325 32 32 ASN HD22 H 8.154 0.030 2 326 32 32 ASN C C 175.495 0.300 1 327 32 32 ASN CA C 51.224 0.300 1 328 32 32 ASN CB C 37.894 0.300 1 329 32 32 ASN N N 125.852 0.300 1 330 32 32 ASN ND2 N 113.467 0.300 1 331 33 33 ASN H H 8.521 0.030 1 332 33 33 ASN HA H 4.523 0.030 1 333 33 33 ASN HB2 H 2.693 0.030 2 334 33 33 ASN HB3 H 2.782 0.030 2 335 33 33 ASN HD21 H 7.723 0.030 2 336 33 33 ASN HD22 H 6.699 0.030 2 337 33 33 ASN C C 177.156 0.300 1 338 33 33 ASN CA C 56.608 0.300 1 339 33 33 ASN CB C 39.950 0.300 1 340 33 33 ASN N N 123.611 0.300 1 341 33 33 ASN ND2 N 114.247 0.300 1 342 34 34 GLU H H 8.846 0.030 1 343 34 34 GLU HA H 4.154 0.030 1 344 34 34 GLU HB2 H 2.214 0.030 2 345 34 34 GLU HB3 H 2.133 0.030 2 346 34 34 GLU HG2 H 2.363 0.030 1 347 34 34 GLU HG3 H 2.363 0.030 1 348 34 34 GLU C C 178.004 0.300 1 349 34 34 GLU CA C 59.616 0.300 1 350 34 34 GLU CB C 29.342 0.300 1 351 34 34 GLU CG C 36.537 0.300 1 352 34 34 GLU N N 120.221 0.300 1 353 35 35 ALA H H 7.454 0.030 1 354 35 35 ALA HA H 4.413 0.030 1 355 35 35 ALA HB H 1.273 0.030 1 356 35 35 ALA C C 177.584 0.300 1 357 35 35 ALA CA C 51.664 0.300 1 358 35 35 ALA CB C 20.214 0.300 1 359 35 35 ALA N N 117.808 0.300 1 360 36 36 GLY H H 7.823 0.030 1 361 36 36 GLY HA2 H 3.054 0.030 2 362 36 36 GLY HA3 H 2.883 0.030 2 363 36 36 GLY C C 173.212 0.300 1 364 36 36 GLY CA C 46.315 0.300 1 365 36 36 GLY N N 108.946 0.300 1 366 37 37 LEU H H 7.624 0.030 1 367 37 37 LEU HA H 5.183 0.030 1 368 37 37 LEU HB2 H 1.543 0.030 2 369 37 37 LEU HB3 H 1.323 0.030 2 370 37 37 LEU HD1 H 0.843 0.030 1 371 37 37 LEU HD2 H 0.797 0.030 1 372 37 37 LEU HG H 1.365 0.030 1 373 37 37 LEU C C 174.513 0.300 1 374 37 37 LEU CA C 52.948 0.300 1 375 37 37 LEU CB C 47.187 0.300 1 376 37 37 LEU CD1 C 25.426 0.300 2 377 37 37 LEU CD2 C 24.016 0.300 2 378 37 37 LEU CG C 26.073 0.300 1 379 37 37 LEU N N 117.397 0.300 1 380 38 38 LEU H H 8.972 0.030 1 381 38 38 LEU HA H 5.276 0.030 1 382 38 38 LEU HB2 H 2.112 0.030 2 383 38 38 LEU HB3 H 1.245 0.030 2 384 38 38 LEU HD1 H 1.281 0.030 1 385 38 38 LEU HD2 H 0.979 0.030 1 386 38 38 LEU HG H 1.822 0.030 1 387 38 38 LEU C C 174.127 0.300 1 388 38 38 LEU CA C 53.681 0.300 1 389 38 38 LEU CB C 45.213 0.300 1 390 38 38 LEU CD1 C 23.873 0.300 2 391 38 38 LEU CD2 C 26.587 0.300 2 392 38 38 LEU CG C 27.824 0.300 1 393 38 38 LEU N N 124.160 0.300 1 394 39 39 GLU H H 9.173 0.030 1 395 39 39 GLU HA H 5.273 0.030 1 396 39 39 GLU HB2 H 2.242 0.030 2 397 39 39 GLU HB3 H 1.764 0.030 2 398 39 39 GLU HG2 H 2.172 0.030 2 399 39 39 GLU HG3 H 2.263 0.030 2 400 39 39 GLU C C 175.248 0.300 1 401 39 39 GLU CA C 54.197 0.300 1 402 39 39 GLU CB C 34.193 0.300 1 403 39 39 GLU CG C 37.113 0.300 1 404 39 39 GLU N N 125.962 0.300 1 405 40 40 TYR H H 7.981 0.030 1 406 40 40 TYR HA H 5.583 0.030 1 407 40 40 TYR HB2 H 1.553 0.030 2 408 40 40 TYR HB3 H 1.614 0.030 2 409 40 40 TYR HD1 H 6.410 0.030 1 410 40 40 TYR HD2 H 6.410 0.030 1 411 40 40 TYR HE1 H 6.532 0.030 1 412 40 40 TYR HE2 H 6.532 0.030 1 413 40 40 TYR C C 172.055 0.300 1 414 40 40 TYR CA C 55.288 0.300 1 415 40 40 TYR CB C 40.952 0.300 1 416 40 40 TYR CD1 C 132.652 0.300 1 417 40 40 TYR CD2 C 132.652 0.300 1 418 40 40 TYR CE1 C 117.160 0.300 1 419 40 40 TYR CE2 C 117.160 0.300 1 420 40 40 TYR N N 115.007 0.300 1 421 41 41 PHE H H 9.225 0.030 1 422 41 41 PHE HA H 4.565 0.030 1 423 41 41 PHE HB2 H 3.243 0.030 2 424 41 41 PHE HB3 H 2.703 0.030 2 425 41 41 PHE HD1 H 7.213 0.030 1 426 41 41 PHE HD2 H 7.213 0.030 1 427 41 41 PHE HE1 H 7.322 0.030 1 428 41 41 PHE HE2 H 7.322 0.030 1 429 41 41 PHE HZ H 7.383 0.030 1 430 41 41 PHE C C 176.058 0.300 1 431 41 41 PHE CA C 55.833 0.300 1 432 41 41 PHE CB C 44.221 0.300 1 433 41 41 PHE CD1 C 132.548 0.300 1 434 41 41 PHE CD2 C 132.548 0.300 1 435 41 41 PHE CE1 C 131.961 0.300 1 436 41 41 PHE CE2 C 131.961 0.300 1 437 41 41 PHE CZ C 130.922 0.300 1 438 41 41 PHE N N 117.829 0.300 1 439 42 42 VAL H H 9.471 0.030 1 440 42 42 VAL HA H 3.853 0.030 1 441 42 42 VAL HB H 2.053 0.030 1 442 42 42 VAL HG1 H 1.113 0.030 1 443 42 42 VAL HG2 H 1.063 0.030 1 444 42 42 VAL C C 174.672 0.300 1 445 42 42 VAL CA C 66.970 0.300 1 446 42 42 VAL CB C 31.809 0.300 1 447 42 42 VAL CG1 C 22.064 0.300 2 448 42 42 VAL CG2 C 21.285 0.300 2 449 42 42 VAL N N 120.382 0.300 1 450 43 43 ASN H H 7.201 0.030 1 451 43 43 ASN HA H 4.691 0.030 1 452 43 43 ASN HB2 H 3.443 0.030 1 453 43 43 ASN HB3 H 3.443 0.030 1 454 43 43 ASN HD21 H 7.863 0.030 2 455 43 43 ASN HD22 H 7.193 0.030 2 456 43 43 ASN C C 173.813 0.300 1 457 43 43 ASN CA C 51.963 0.300 1 458 43 43 ASN CB C 39.657 0.300 1 459 43 43 ASN N N 107.815 0.300 1 460 43 43 ASN ND2 N 115.197 0.300 1 461 44 44 GLU H H 7.873 0.030 1 462 44 44 GLU HA H 2.166 0.030 1 463 44 44 GLU HB2 H 1.493 0.030 2 464 44 44 GLU HB3 H 1.173 0.030 2 465 44 44 GLU HG2 H 1.642 0.030 2 466 44 44 GLU HG3 H 1.493 0.030 2 467 44 44 GLU C C 177.815 0.300 1 468 44 44 GLU CA C 58.507 0.300 1 469 44 44 GLU CB C 29.424 0.300 1 470 44 44 GLU CG C 35.304 0.300 1 471 44 44 GLU N N 118.897 0.300 1 472 45 45 GLN H H 8.355 0.030 1 473 45 45 GLN HA H 3.902 0.030 1 474 45 45 GLN HB2 H 1.983 0.030 1 475 45 45 GLN HB3 H 1.983 0.030 1 476 45 45 GLN HE21 H 7.533 0.030 2 477 45 45 GLN HE22 H 6.843 0.030 2 478 45 45 GLN HG2 H 2.332 0.030 2 479 45 45 GLN HG3 H 2.441 0.030 2 480 45 45 GLN C C 176.991 0.300 1 481 45 45 GLN CA C 58.173 0.300 1 482 45 45 GLN CB C 27.451 0.300 1 483 45 45 GLN CG C 34.152 0.300 1 484 45 45 GLN N N 117.878 0.300 1 485 45 45 GLN NE2 N 112.427 0.300 1 486 46 46 SER H H 7.341 0.030 1 487 46 46 SER HA H 4.574 0.030 1 488 46 46 SER HB2 H 4.153 0.030 2 489 46 46 SER HB3 H 3.873 0.030 2 490 46 46 SER C C 174.483 0.300 1 491 46 46 SER CA C 58.420 0.300 1 492 46 46 SER CB C 63.346 0.300 1 493 46 46 SER N N 113.234 0.300 1 494 47 47 ARG H H 6.988 0.030 1 495 47 47 ARG HA H 2.712 0.030 1 496 47 47 ARG HB2 H 1.443 0.030 2 497 47 47 ARG HB3 H 1.163 0.030 2 498 47 47 ARG HD2 H 2.955 0.030 2 499 47 47 ARG HD3 H 2.785 0.030 2 500 47 47 ARG HG2 H 1.353 0.030 2 501 47 47 ARG HG3 H 1.062 0.030 2 502 47 47 ARG C C 174.006 0.300 1 503 47 47 ARG CA C 57.100 0.300 1 504 47 47 ARG CB C 29.383 0.300 1 505 47 47 ARG CD C 43.963 0.300 1 506 47 47 ARG CG C 25.106 0.300 1 507 47 47 ARG N N 118.127 0.300 1 508 48 48 ASN H H 8.053 0.030 1 509 48 48 ASN HA H 4.830 0.030 1 510 48 48 ASN HB2 H 2.815 0.030 2 511 48 48 ASN HB3 H 2.763 0.030 2 512 48 48 ASN HD21 H 6.793 0.030 2 513 48 48 ASN HD22 H 7.503 0.030 2 514 48 48 ASN C C 175.310 0.300 1 515 48 48 ASN CA C 52.913 0.300 1 516 48 48 ASN CB C 37.853 0.300 1 517 48 48 ASN N N 117.017 0.300 1 518 48 48 ASN ND2 N 112.517 0.300 1 519 49 49 GLN H H 7.581 0.030 1 520 49 49 GLN HA H 4.544 0.030 1 521 49 49 GLN HB2 H 2.413 0.030 2 522 49 49 GLN HB3 H 2.213 0.030 2 523 49 49 GLN HG2 H 2.413 0.030 1 524 49 49 GLN HG3 H 2.413 0.030 1 525 49 49 GLN C C 174.795 0.300 1 526 49 49 GLN CA C 54.555 0.300 1 527 49 49 GLN CB C 29.941 0.300 1 528 49 49 GLN CG C 33.906 0.300 1 529 49 49 GLN N N 120.241 0.300 1 530 50 50 LYS H H 8.173 0.030 1 531 50 50 LYS HA H 4.563 0.030 1 532 50 50 LYS HB2 H 1.760 0.030 2 533 50 50 LYS HB3 H 1.793 0.030 2 534 50 50 LYS HD2 H 1.704 0.030 1 535 50 50 LYS HD3 H 1.704 0.030 1 536 50 50 LYS HE2 H 3.015 0.030 1 537 50 50 LYS HE3 H 3.015 0.030 1 538 50 50 LYS HG2 H 1.544 0.030 1 539 50 50 LYS HG3 H 1.544 0.030 1 540 50 50 LYS C C 175.314 0.300 1 541 50 50 LYS CA C 55.270 0.300 1 542 50 50 LYS CB C 32.179 0.300 1 543 50 50 LYS CD C 29.322 0.300 1 544 50 50 LYS CE C 42.382 0.300 1 545 50 50 LYS CG C 24.573 0.300 1 546 50 50 LYS N N 120.377 0.300 1 547 51 51 PRO HA H 3.743 0.030 1 548 51 51 PRO HB2 H 1.403 0.030 2 549 51 51 PRO HB3 H 1.362 0.030 2 550 51 51 PRO HD2 H 3.583 0.030 2 551 51 51 PRO HD3 H 3.972 0.030 2 552 51 51 PRO HG2 H 1.914 0.030 2 553 51 51 PRO HG3 H 1.763 0.030 2 554 51 51 PRO C C 177.315 0.300 1 555 51 51 PRO CA C 62.976 0.300 1 556 51 51 PRO CB C 31.685 0.300 1 557 51 51 PRO CD C 51.011 0.300 1 558 51 51 PRO CG C 27.047 0.300 1 559 52 52 ARG H H 8.203 0.030 1 560 52 52 ARG HA H 3.913 0.030 1 561 52 52 ARG HB2 H 1.263 0.030 2 562 52 52 ARG HB3 H 1.093 0.030 2 563 52 52 ARG HD2 H 3.189 0.030 1 564 52 52 ARG HD3 H 3.189 0.030 1 565 52 52 ARG HG2 H 1.632 0.030 2 566 52 52 ARG HG3 H 1.543 0.030 2 567 52 52 ARG C C 176.427 0.300 1 568 52 52 ARG CA C 55.587 0.300 1 569 52 52 ARG CB C 29.547 0.300 1 570 52 52 ARG CD C 42.212 0.300 1 571 52 52 ARG CG C 26.604 0.300 1 572 52 52 ARG N N 121.797 0.300 1 573 53 53 GLY H H 6.313 0.030 1 574 53 53 GLY HA2 H 4.022 0.030 2 575 53 53 GLY HA3 H 3.513 0.030 2 576 53 53 GLY C C 170.196 0.300 1 577 53 53 GLY CA C 45.260 0.300 1 578 53 53 GLY N N 103.764 0.300 1 579 54 54 THR H H 7.871 0.030 1 580 54 54 THR HA H 5.193 0.030 1 581 54 54 THR HB H 3.853 0.030 1 582 54 54 THR HG2 H 1.152 0.030 1 583 54 54 THR C C 172.599 0.300 1 584 54 54 THR CA C 61.112 0.300 1 585 54 54 THR CB C 72.539 0.300 1 586 54 54 THR CG2 C 22.722 0.300 1 587 54 54 THR N N 113.178 0.300 1 588 55 55 LEU H H 9.124 0.030 1 589 55 55 LEU HA H 4.533 0.030 1 590 55 55 LEU HB2 H 1.282 0.030 2 591 55 55 LEU HB3 H 1.103 0.030 2 592 55 55 LEU HD1 H 0.142 0.030 1 593 55 55 LEU HD2 H 0.163 0.030 1 594 55 55 LEU HG H 1.140 0.030 1 595 55 55 LEU C C 175.855 0.300 1 596 55 55 LEU CA C 53.722 0.300 1 597 55 55 LEU CB C 45.643 0.300 1 598 55 55 LEU CD1 C 24.366 0.300 2 599 55 55 LEU CD2 C 24.366 0.300 2 600 55 55 LEU CG C 26.258 0.300 1 601 55 55 LEU N N 125.659 0.300 1 602 56 56 GLN H H 8.601 0.030 1 603 56 56 GLN HA H 4.413 0.030 1 604 56 56 GLN HB2 H 2.223 0.030 2 605 56 56 GLN HB3 H 2.051 0.030 2 606 56 56 GLN HE21 H 6.853 0.030 2 607 56 56 GLN HE22 H 7.527 0.030 2 608 56 56 GLN HG2 H 2.441 0.030 1 609 56 56 GLN HG3 H 2.441 0.030 1 610 56 56 GLN C C 176.892 0.300 1 611 56 56 GLN CA C 56.132 0.300 1 612 56 56 GLN CB C 29.459 0.300 1 613 56 56 GLN CG C 34.235 0.300 1 614 56 56 GLN N N 124.817 0.300 1 615 56 56 GLN NE2 N 111.267 0.300 1 616 57 57 LEU H H 8.224 0.030 1 617 57 57 LEU HA H 4.193 0.030 1 618 57 57 LEU HB2 H 1.653 0.030 2 619 57 57 LEU HB3 H 1.254 0.030 2 620 57 57 LEU HD1 H 0.715 0.030 1 621 57 57 LEU HD2 H 0.561 0.030 1 622 57 57 LEU HG H 1.501 0.030 1 623 57 57 LEU C C 177.531 0.300 1 624 57 57 LEU CA C 55.217 0.300 1 625 57 57 LEU CB C 41.219 0.300 1 626 57 57 LEU CD1 C 27.327 0.300 2 627 57 57 LEU CD2 C 22.081 0.300 2 628 57 57 LEU CG C 27.096 0.300 1 629 57 57 LEU N N 123.414 0.300 1 630 58 58 ALA H H 8.722 0.030 1 631 58 58 ALA HA H 4.143 0.030 1 632 58 58 ALA HB H 1.404 0.030 1 633 58 58 ALA C C 180.157 0.300 1 634 58 58 ALA CA C 54.338 0.300 1 635 58 58 ALA CB C 17.705 0.300 1 636 58 58 ALA N N 123.773 0.300 1 637 59 59 GLY H H 9.444 0.030 1 638 59 59 GLY HA2 H 4.113 0.030 2 639 59 59 GLY HA3 H 3.803 0.030 2 640 59 59 GLY C C 173.326 0.300 1 641 59 59 GLY CA C 46.040 0.300 1 642 59 59 GLY N N 116.895 0.300 1 643 60 60 ALA H H 8.022 0.030 1 644 60 60 ALA HA H 4.683 0.030 1 645 60 60 ALA HB H 1.363 0.030 1 646 60 60 ALA C C 176.132 0.300 1 647 60 60 ALA CA C 51.893 0.300 1 648 60 60 ALA CB C 20.214 0.300 1 649 60 60 ALA N N 122.129 0.300 1 650 61 61 VAL H H 8.370 0.030 1 651 61 61 VAL HA H 4.362 0.030 1 652 61 61 VAL HB H 1.913 0.030 1 653 61 61 VAL HG1 H 0.923 0.030 1 654 61 61 VAL HG2 H 0.973 0.030 1 655 61 61 VAL C C 175.527 0.300 1 656 61 61 VAL CA C 61.956 0.300 1 657 61 61 VAL CB C 35.181 0.300 1 658 61 61 VAL CG1 C 21.159 0.300 2 659 61 61 VAL CG2 C 21.159 0.300 2 660 61 61 VAL N N 117.717 0.300 1 661 62 62 ILE H H 9.413 0.030 1 662 62 62 ILE HA H 5.034 0.030 1 663 62 62 ILE HB H 2.154 0.030 1 664 62 62 ILE HD1 H 0.823 0.030 1 665 62 62 ILE HG12 H 1.603 0.030 2 666 62 62 ILE HG13 H 1.272 0.030 2 667 62 62 ILE HG2 H 1.033 0.030 1 668 62 62 ILE C C 175.612 0.300 1 669 62 62 ILE CA C 59.458 0.300 1 670 62 62 ILE CB C 37.647 0.300 1 671 62 62 ILE CD1 C 14.087 0.300 1 672 62 62 ILE CG1 C 28.774 0.300 1 673 62 62 ILE CG2 C 20.054 0.300 1 674 62 62 ILE N N 130.855 0.300 1 675 63 63 SER H H 8.941 0.030 1 676 63 63 SER HA H 5.273 0.030 1 677 63 63 SER HB2 H 3.635 0.030 2 678 63 63 SER HB3 H 3.823 0.030 2 679 63 63 SER C C 172.915 0.300 1 680 63 63 SER CA C 54.567 0.300 1 681 63 63 SER CB C 64.615 0.300 1 682 63 63 SER N N 121.239 0.300 1 683 64 64 PRO HA H 4.610 0.030 1 684 64 64 PRO HB2 H 2.013 0.030 1 685 64 64 PRO HB3 H 2.013 0.030 1 686 64 64 PRO HD2 H 4.034 0.030 2 687 64 64 PRO HD3 H 3.663 0.030 2 688 64 64 PRO HG2 H 2.274 0.030 2 689 64 64 PRO HG3 H 2.018 0.030 2 690 64 64 PRO C C 175.658 0.300 1 691 64 64 PRO CA C 62.237 0.300 1 692 64 64 PRO CB C 31.521 0.300 1 693 64 64 PRO CD C 51.158 0.300 1 694 64 64 PRO CG C 27.345 0.300 1 695 65 65 SER H H 8.205 0.030 1 696 65 65 SER HA H 4.433 0.030 1 697 65 65 SER HB2 H 3.823 0.030 2 698 65 65 SER HB3 H 3.912 0.030 2 699 65 65 SER C C 175.569 0.300 1 700 65 65 SER CA C 58.173 0.300 1 701 65 65 SER CB C 64.204 0.300 1 702 65 65 SER N N 118.195 0.300 1 703 66 66 ASP H H 8.868 0.030 1 704 66 66 ASP HA H 4.704 0.030 1 705 66 66 ASP HB2 H 2.692 0.030 2 706 66 66 ASP HB3 H 2.742 0.030 2 707 66 66 ASP C C 176.976 0.300 1 708 66 66 ASP CA C 55.129 0.300 1 709 66 66 ASP CB C 40.943 0.300 1 710 66 66 ASP N N 125.132 0.300 1 711 67 67 GLU H H 8.565 0.030 1 712 67 67 GLU HA H 4.212 0.030 1 713 67 67 GLU HB2 H 2.080 0.030 2 714 67 67 GLU HB3 H 1.877 0.030 2 715 67 67 GLU HG2 H 2.222 0.030 1 716 67 67 GLU HG3 H 2.222 0.030 1 717 67 67 GLU C C 175.690 0.300 1 718 67 67 GLU CA C 57.452 0.300 1 719 67 67 GLU CB C 30.904 0.300 1 720 67 67 GLU CG C 36.291 0.300 1 721 67 67 GLU N N 118.200 0.300 1 722 68 68 ASP H H 7.561 0.030 1 723 68 68 ASP HA H 4.643 0.030 1 724 68 68 ASP HB2 H 2.923 0.030 2 725 68 68 ASP HB3 H 2.765 0.030 2 726 68 68 ASP C C 175.454 0.300 1 727 68 68 ASP CA C 53.159 0.300 1 728 68 68 ASP CB C 42.458 0.300 1 729 68 68 ASP N N 116.320 0.300 1 730 69 69 SER H H 8.194 0.030 1 731 69 69 SER HA H 4.606 0.030 1 732 69 69 SER HB2 H 3.673 0.030 2 733 69 69 SER HB3 H 3.903 0.030 2 734 69 69 SER C C 172.677 0.300 1 735 69 69 SER CA C 58.507 0.300 1 736 69 69 SER CB C 64.122 0.300 1 737 69 69 SER N N 112.245 0.300 1 738 70 70 HIS H H 8.033 0.030 1 739 70 70 HIS HA H 4.583 0.030 1 740 70 70 HIS HB2 H 3.203 0.030 2 741 70 70 HIS HB3 H 2.846 0.030 2 742 70 70 HIS HD2 H 6.633 0.030 1 743 70 70 HIS HE1 H 7.714 0.030 1 744 70 70 HIS C C 176.560 0.300 1 745 70 70 HIS CA C 56.720 0.300 1 746 70 70 HIS CB C 32.878 0.300 1 747 70 70 HIS CD2 C 120.415 0.300 1 748 70 70 HIS CE1 C 138.637 0.300 1 749 70 70 HIS N N 114.338 0.300 1 750 71 71 THR H H 9.261 0.030 1 751 71 71 THR HA H 5.362 0.030 1 752 71 71 THR HB H 4.273 0.030 1 753 71 71 THR HG2 H 1.362 0.030 1 754 71 71 THR C C 175.548 0.300 1 755 71 71 THR CA C 63.522 0.300 1 756 71 71 THR CB C 68.887 0.300 1 757 71 71 THR CG2 C 21.935 0.300 1 758 71 71 THR N N 121.029 0.300 1 759 72 72 PHE H H 9.830 0.030 1 760 72 72 PHE HA H 5.160 0.030 1 761 72 72 PHE HB2 H 2.953 0.030 2 762 72 72 PHE HB3 H 2.562 0.030 2 763 72 72 PHE HD1 H 6.802 0.030 1 764 72 72 PHE HD2 H 6.802 0.030 1 765 72 72 PHE HE1 H 6.713 0.030 1 766 72 72 PHE HE2 H 6.713 0.030 1 767 72 72 PHE HZ H 6.476 0.030 1 768 72 72 PHE C C 171.195 0.300 1 769 72 72 PHE CA C 56.326 0.300 1 770 72 72 PHE CB C 41.513 0.300 1 771 72 72 PHE CD1 C 132.496 0.300 1 772 72 72 PHE CD2 C 132.496 0.300 1 773 72 72 PHE CE1 C 130.093 0.300 1 774 72 72 PHE CE2 C 130.093 0.300 1 775 72 72 PHE CZ C 129.938 0.300 1 776 72 72 PHE N N 125.021 0.300 1 777 73 73 THR H H 8.621 0.030 1 778 73 73 THR HA H 5.314 0.030 1 779 73 73 THR HB H 4.012 0.030 1 780 73 73 THR HG2 H 1.083 0.030 1 781 73 73 THR C C 173.679 0.300 1 782 73 73 THR CA C 59.851 0.300 1 783 73 73 THR CB C 71.697 0.300 1 784 73 73 THR CG2 C 21.899 0.300 1 785 73 73 THR N N 111.542 0.300 1 786 74 74 VAL H H 8.824 0.030 1 787 74 74 VAL HA H 4.382 0.030 1 788 74 74 VAL HB H 1.840 0.030 1 789 74 74 VAL HG1 H 0.632 0.030 1 790 74 74 VAL HG2 H 0.883 0.030 1 791 74 74 VAL C C 173.692 0.300 1 792 74 74 VAL CA C 61.569 0.300 1 793 74 74 VAL CB C 33.289 0.300 1 794 74 74 VAL CG1 C 21.359 0.300 2 795 74 74 VAL CG2 C 20.959 0.300 2 796 74 74 VAL N N 122.814 0.300 1 797 75 75 ASN H H 8.963 0.030 1 798 75 75 ASN HA H 5.152 0.030 1 799 75 75 ASN HB2 H 2.842 0.030 2 800 75 75 ASN HB3 H 2.726 0.030 2 801 75 75 ASN HD21 H 6.982 0.030 2 802 75 75 ASN HD22 H 6.958 0.030 2 803 75 75 ASN C C 174.779 0.300 1 804 75 75 ASN CA C 52.315 0.300 1 805 75 75 ASN CB C 39.868 0.300 1 806 75 75 ASN N N 126.273 0.300 1 807 75 75 ASN ND2 N 112.196 0.300 1 808 76 76 ALA H H 8.923 0.030 1 809 76 76 ALA HA H 4.353 0.030 1 810 76 76 ALA HB H 1.598 0.030 1 811 76 76 ALA C C 178.697 0.300 1 812 76 76 ALA CA C 51.822 0.300 1 813 76 76 ALA CB C 20.419 0.300 1 814 76 76 ALA N N 126.709 0.300 1 815 77 77 ALA H H 9.522 0.030 1 816 77 77 ALA HA H 4.142 0.030 1 817 77 77 ALA HB H 1.453 0.030 1 818 77 77 ALA C C 178.781 0.300 1 819 77 77 ALA CA C 54.743 0.300 1 820 77 77 ALA CB C 17.582 0.300 1 821 77 77 ALA N N 126.280 0.300 1 822 78 78 SER H H 7.893 0.030 1 823 78 78 SER HA H 4.283 0.030 1 824 78 78 SER HB2 H 3.921 0.030 2 825 78 78 SER HB3 H 4.153 0.030 2 826 78 78 SER C C 175.623 0.300 1 827 78 78 SER CA C 58.525 0.300 1 828 78 78 SER CB C 63.799 0.300 1 829 78 78 SER N N 110.174 0.300 1 830 79 79 GLY H H 8.013 0.030 1 831 79 79 GLY HA2 H 4.537 0.030 2 832 79 79 GLY HA3 H 3.653 0.030 2 833 79 79 GLY C C 174.106 0.300 1 834 79 79 GLY CA C 44.714 0.300 1 835 79 79 GLY N N 110.707 0.300 1 836 80 80 GLU H H 7.774 0.030 1 837 80 80 GLU HA H 4.184 0.030 1 838 80 80 GLU HB2 H 1.840 0.030 2 839 80 80 GLU HB3 H 1.722 0.030 2 840 80 80 GLU HG2 H 2.182 0.030 2 841 80 80 GLU HG3 H 2.364 0.030 2 842 80 80 GLU C C 174.069 0.300 1 843 80 80 GLU CA C 57.241 0.300 1 844 80 80 GLU CB C 30.329 0.300 1 845 80 80 GLU CG C 36.537 0.300 1 846 80 80 GLU N N 123.155 0.300 1 847 81 81 GLN H H 8.624 0.030 1 848 81 81 GLN HA H 5.553 0.030 1 849 81 81 GLN HB2 H 1.964 0.030 1 850 81 81 GLN HB3 H 1.964 0.030 1 851 81 81 GLN HE21 H 7.963 0.030 2 852 81 81 GLN HE22 H 6.848 0.030 2 853 81 81 GLN HG2 H 2.313 0.030 2 854 81 81 GLN HG3 H 1.887 0.030 2 855 81 81 GLN C C 176.075 0.300 1 856 81 81 GLN CA C 53.898 0.300 1 857 81 81 GLN CB C 33.700 0.300 1 858 81 81 GLN CG C 34.975 0.300 1 859 81 81 GLN N N 122.723 0.300 1 860 81 81 GLN NE2 N 112.367 0.300 1 861 82 82 TYR H H 8.832 0.030 1 862 82 82 TYR HA H 5.133 0.030 1 863 82 82 TYR HB2 H 2.834 0.030 2 864 82 82 TYR HB3 H 2.593 0.030 2 865 82 82 TYR HD1 H 6.923 0.030 1 866 82 82 TYR HD2 H 6.923 0.030 1 867 82 82 TYR HE1 H 6.771 0.030 1 868 82 82 TYR HE2 H 6.771 0.030 1 869 82 82 TYR C C 173.808 0.300 1 870 82 82 TYR CA C 53.283 0.300 1 871 82 82 TYR CB C 38.470 0.300 1 872 82 82 TYR CD1 C 130.042 0.300 1 873 82 82 TYR CD2 C 130.042 0.300 1 874 82 82 TYR CE1 C 118.595 0.300 1 875 82 82 TYR CE2 C 118.595 0.300 1 876 82 82 TYR N N 123.028 0.300 1 877 83 83 LYS H H 9.102 0.030 1 878 83 83 LYS HA H 4.563 0.030 1 879 83 83 LYS HB2 H 1.663 0.030 2 880 83 83 LYS HB3 H 1.464 0.030 2 881 83 83 LYS HD2 H 1.333 0.030 1 882 83 83 LYS HD3 H 1.333 0.030 1 883 83 83 LYS HE2 H 2.648 0.030 1 884 83 83 LYS HE3 H 2.648 0.030 1 885 83 83 LYS HG2 H 1.243 0.030 2 886 83 83 LYS HG3 H 1.183 0.030 2 887 83 83 LYS C C 173.411 0.300 1 888 83 83 LYS CA C 56.273 0.300 1 889 83 83 LYS CB C 33.371 0.300 1 890 83 83 LYS CD C 29.465 0.300 1 891 83 83 LYS CE C 41.718 0.300 1 892 83 83 LYS CG C 25.024 0.300 1 893 83 83 LYS N N 127.347 0.300 1 894 84 84 LEU H H 8.552 0.030 1 895 84 84 LEU HA H 5.473 0.030 1 896 84 84 LEU HB2 H 0.265 0.030 2 897 84 84 LEU HB3 H -0.101 0.030 2 898 84 84 LEU HD1 H -0.019 0.030 1 899 84 84 LEU HD2 H 0.230 0.030 1 900 84 84 LEU HG H 0.912 0.030 1 901 84 84 LEU C C 175.241 0.300 1 902 84 84 LEU CA C 52.720 0.300 1 903 84 84 LEU CB C 44.691 0.300 1 904 84 84 LEU CD1 C 24.970 0.300 2 905 84 84 LEU CD2 C 25.284 0.300 2 906 84 84 LEU CG C 26.645 0.300 1 907 84 84 LEU N N 125.973 0.300 1 908 85 85 ARG H H 8.882 0.030 1 909 85 85 ARG HA H 4.969 0.030 1 910 85 85 ARG HB2 H 1.183 0.030 2 911 85 85 ARG HB3 H 1.070 0.030 2 912 85 85 ARG HD2 H 2.132 0.030 2 913 85 85 ARG HD3 H 1.713 0.030 2 914 85 85 ARG HG2 H 1.373 0.030 2 915 85 85 ARG HG3 H 1.159 0.030 2 916 85 85 ARG C C 175.459 0.300 1 917 85 85 ARG CA C 55.464 0.300 1 918 85 85 ARG CB C 35.016 0.300 1 919 85 85 ARG CD C 43.198 0.300 1 920 85 85 ARG CG C 27.510 0.300 1 921 85 85 ARG N N 118.420 0.300 1 922 86 86 ALA H H 8.782 0.030 1 923 86 86 ALA HA H 4.868 0.030 1 924 86 86 ALA HB H 1.743 0.030 1 925 86 86 ALA C C 176.516 0.300 1 926 86 86 ALA CA C 50.257 0.300 1 927 86 86 ALA CB C 21.693 0.300 1 928 86 86 ALA N N 129.196 0.300 1 929 87 87 THR H H 9.332 0.030 1 930 87 87 THR HA H 3.993 0.030 1 931 87 87 THR HB H 4.134 0.030 1 932 87 87 THR HG2 H 1.346 0.030 1 933 87 87 THR C C 174.171 0.300 1 934 87 87 THR CA C 64.964 0.300 1 935 87 87 THR CB C 69.873 0.300 1 936 87 87 THR CG2 C 22.181 0.300 1 937 87 87 THR N N 112.092 0.300 1 938 88 88 ASP H H 7.463 0.030 1 939 88 88 ASP HA H 4.243 0.030 1 940 88 88 ASP HB2 H 3.023 0.030 1 941 88 88 ASP HB3 H 3.023 0.030 1 942 88 88 ASP C C 175.164 0.300 1 943 88 88 ASP CA C 52.544 0.300 1 944 88 88 ASP CB C 42.129 0.300 1 945 88 88 ASP N N 114.219 0.300 1 946 89 89 ALA H H 8.602 0.030 1 947 89 89 ALA HA H 4.423 0.030 1 948 89 89 ALA HB H 1.533 0.030 1 949 89 89 ALA C C 180.870 0.300 1 950 89 89 ALA CA C 54.848 0.300 1 951 89 89 ALA CB C 19.144 0.300 1 952 89 89 ALA N N 120.922 0.300 1 953 90 90 LYS H H 8.203 0.030 1 954 90 90 LYS HA H 4.132 0.030 1 955 90 90 LYS HB2 H 1.933 0.030 1 956 90 90 LYS HB3 H 1.933 0.030 1 957 90 90 LYS HD2 H 1.715 0.030 1 958 90 90 LYS HD3 H 1.715 0.030 1 959 90 90 LYS HE2 H 3.015 0.030 1 960 90 90 LYS HE3 H 3.015 0.030 1 961 90 90 LYS HG2 H 1.423 0.030 2 962 90 90 LYS HG3 H 1.530 0.030 2 963 90 90 LYS C C 179.354 0.300 1 964 90 90 LYS CA C 59.493 0.300 1 965 90 90 LYS CB C 31.685 0.300 1 966 90 90 LYS CD C 29.136 0.300 1 967 90 90 LYS CE C 42.047 0.300 1 968 90 90 LYS CG C 25.106 0.300 1 969 90 90 LYS N N 121.314 0.300 1 970 91 91 GLU H H 8.873 0.030 1 971 91 91 GLU HA H 4.343 0.030 1 972 91 91 GLU HB2 H 2.373 0.030 2 973 91 91 GLU HB3 H 2.313 0.030 2 974 91 91 GLU HG2 H 2.593 0.030 2 975 91 91 GLU HG3 H 2.672 0.030 2 976 91 91 GLU C C 178.826 0.300 1 977 91 91 GLU CA C 59.528 0.300 1 978 91 91 GLU CB C 30.452 0.300 1 979 91 91 GLU CG C 38.347 0.300 1 980 91 91 GLU N N 123.434 0.300 1 981 92 92 ARG H H 8.384 0.030 1 982 92 92 ARG HA H 3.673 0.030 1 983 92 92 ARG HB2 H 2.252 0.030 2 984 92 92 ARG HB3 H 1.824 0.030 2 985 92 92 ARG HD2 H 3.103 0.030 2 986 92 92 ARG HD3 H 2.754 0.030 2 987 92 92 ARG HG2 H 1.480 0.030 2 988 92 92 ARG HG3 H 1.354 0.030 2 989 92 92 ARG C C 176.583 0.300 1 990 92 92 ARG CA C 60.989 0.300 1 991 92 92 ARG CB C 30.329 0.300 1 992 92 92 ARG CD C 44.156 0.300 1 993 92 92 ARG CG C 26.916 0.300 1 994 92 92 ARG N N 118.671 0.300 1 995 93 93 GLN H H 8.180 0.030 1 996 93 93 GLN HA H 3.922 0.030 1 997 93 93 GLN HB2 H 2.209 0.030 2 998 93 93 GLN HB3 H 2.263 0.030 2 999 93 93 GLN HE21 H 7.523 0.030 2 1000 93 93 GLN HE22 H 6.854 0.030 2 1001 93 93 GLN HG2 H 2.494 0.030 1 1002 93 93 GLN HG3 H 2.494 0.030 1 1003 93 93 GLN C C 178.175 0.300 1 1004 93 93 GLN CA C 58.595 0.300 1 1005 93 93 GLN CB C 27.862 0.300 1 1006 93 93 GLN CG C 33.330 0.300 1 1007 93 93 GLN N N 118.024 0.300 1 1008 93 93 GLN NE2 N 112.075 0.300 1 1009 94 94 HIS H H 8.024 0.030 1 1010 94 94 HIS HA H 4.233 0.030 1 1011 94 94 HIS HB2 H 3.353 0.030 2 1012 94 94 HIS HB3 H 3.113 0.030 2 1013 94 94 HIS HD2 H 6.302 0.030 1 1014 94 94 HIS HE1 H 7.513 0.030 1 1015 94 94 HIS C C 176.736 0.300 1 1016 94 94 HIS CA C 59.952 0.300 1 1017 94 94 HIS CB C 30.863 0.300 1 1018 94 94 HIS CD2 C 118.490 0.300 1 1019 94 94 HIS CE1 C 138.335 0.300 1 1020 94 94 HIS N N 121.141 0.300 1 1021 95 95 TRP H H 7.732 0.030 1 1022 95 95 TRP HA H 3.691 0.030 1 1023 95 95 TRP HB2 H 2.803 0.030 1 1024 95 95 TRP HB3 H 2.803 0.030 1 1025 95 95 TRP HD1 H 7.403 0.030 1 1026 95 95 TRP HE1 H 10.836 0.030 1 1027 95 95 TRP HE3 H 7.201 0.030 1 1028 95 95 TRP HH2 H 6.803 0.030 1 1029 95 95 TRP HZ2 H 6.939 0.030 1 1030 95 95 TRP HZ3 H 6.694 0.030 1 1031 95 95 TRP C C 178.495 0.300 1 1032 95 95 TRP CA C 62.202 0.300 1 1033 95 95 TRP CB C 30.129 0.300 1 1034 95 95 TRP CD1 C 126.050 0.300 1 1035 95 95 TRP CE3 C 118.198 0.300 1 1036 95 95 TRP CH2 C 124.701 0.300 1 1037 95 95 TRP CZ2 C 114.079 0.300 1 1038 95 95 TRP CZ3 C 120.906 0.300 1 1039 95 95 TRP N N 117.243 0.300 1 1040 95 95 TRP NE1 N 129.334 0.300 1 1041 96 96 VAL H H 8.851 0.030 1 1042 96 96 VAL HA H 3.153 0.030 1 1043 96 96 VAL HB H 1.862 0.030 1 1044 96 96 VAL HG1 H 0.693 0.030 1 1045 96 96 VAL HG2 H 0.283 0.030 1 1046 96 96 VAL C C 177.719 0.300 1 1047 96 96 VAL CA C 67.446 0.300 1 1048 96 96 VAL CB C 31.392 0.300 1 1049 96 96 VAL CG1 C 20.748 0.300 2 1050 96 96 VAL CG2 C 23.662 0.300 2 1051 96 96 VAL N N 117.339 0.300 1 1052 97 97 SER H H 8.310 0.030 1 1053 97 97 SER HA H 4.184 0.030 1 1054 97 97 SER HB2 H 4.015 0.030 2 1055 97 97 SER HB3 H 3.913 0.030 2 1056 97 97 SER C C 177.363 0.300 1 1057 97 97 SER CA C 61.622 0.300 1 1058 97 97 SER CB C 62.806 0.300 1 1059 97 97 SER N N 113.255 0.300 1 1060 98 98 ARG H H 7.623 0.030 1 1061 98 98 ARG HA H 3.983 0.030 1 1062 98 98 ARG HB2 H 1.521 0.030 2 1063 98 98 ARG HB3 H 1.581 0.030 2 1064 98 98 ARG HD2 H 2.743 0.030 2 1065 98 98 ARG HD3 H 2.921 0.030 2 1066 98 98 ARG HG2 H 1.183 0.030 2 1067 98 98 ARG HG3 H 1.523 0.030 2 1068 98 98 ARG C C 180.195 0.300 1 1069 98 98 ARG CA C 58.244 0.300 1 1070 98 98 ARG CB C 28.931 0.300 1 1071 98 98 ARG CD C 41.718 0.300 1 1072 98 98 ARG CG C 26.736 0.300 1 1073 98 98 ARG N N 120.175 0.300 1 1074 99 99 LEU H H 8.974 0.030 1 1075 99 99 LEU HA H 4.004 0.030 1 1076 99 99 LEU HB2 H 1.263 0.030 2 1077 99 99 LEU HB3 H 2.253 0.030 2 1078 99 99 LEU HD1 H 1.026 0.030 1 1079 99 99 LEU HD2 H 1.114 0.030 1 1080 99 99 LEU HG H 2.183 0.030 1 1081 99 99 LEU C C 179.517 0.300 1 1082 99 99 LEU CA C 58.543 0.300 1 1083 99 99 LEU CB C 42.553 0.300 1 1084 99 99 LEU CD1 C 27.245 0.300 2 1085 99 99 LEU CD2 C 26.093 0.300 2 1086 99 99 LEU CG C 27.666 0.300 1 1087 99 99 LEU N N 120.619 0.300 1 1088 100 100 GLN H H 8.858 0.030 1 1089 100 100 GLN HA H 4.033 0.030 1 1090 100 100 GLN HB2 H 2.387 0.030 2 1091 100 100 GLN HB3 H 2.043 0.030 2 1092 100 100 GLN HE21 H 6.873 0.030 2 1093 100 100 GLN HE22 H 7.183 0.030 2 1094 100 100 GLN HG2 H 2.515 0.030 2 1095 100 100 GLN HG3 H 2.653 0.030 2 1096 100 100 GLN C C 179.169 0.300 1 1097 100 100 GLN CA C 59.704 0.300 1 1098 100 100 GLN CB C 27.820 0.300 1 1099 100 100 GLN CG C 34.646 0.300 1 1100 100 100 GLN N N 120.375 0.300 1 1101 100 100 GLN NE2 N 110.167 0.300 1 1102 101 101 ILE H H 7.942 0.030 1 1103 101 101 ILE HA H 3.833 0.030 1 1104 101 101 ILE HB H 1.853 0.030 1 1105 101 101 ILE HD1 H 0.823 0.030 1 1106 101 101 ILE HG12 H 1.203 0.030 2 1107 101 101 ILE HG13 H 1.763 0.030 2 1108 101 101 ILE HG2 H 0.943 0.030 1 1109 101 101 ILE C C 177.974 0.300 1 1110 101 101 ILE CA C 64.894 0.300 1 1111 101 101 ILE CB C 38.347 0.300 1 1112 101 101 ILE CD1 C 13.311 0.300 1 1113 101 101 ILE CG1 C 29.136 0.300 1 1114 101 101 ILE CG2 C 17.376 0.300 1 1115 101 101 ILE N N 120.659 0.300 1 1116 102 102 CYS H H 7.704 0.030 1 1117 102 102 CYS HA H 4.413 0.030 1 1118 102 102 CYS HB2 H 3.294 0.030 2 1119 102 102 CYS HB3 H 2.913 0.030 2 1120 102 102 CYS C C 177.137 0.300 1 1121 102 102 CYS CA C 62.836 0.300 1 1122 102 102 CYS CB C 27.908 0.300 1 1123 102 102 CYS N N 119.879 0.300 1 1124 103 103 THR H H 8.523 0.030 1 1125 103 103 THR HA H 3.954 0.030 1 1126 103 103 THR HB H 4.333 0.030 1 1127 103 103 THR HG2 H 1.454 0.030 1 1128 103 103 THR C C 177.748 0.300 1 1129 103 103 THR CA C 67.182 0.300 1 1130 103 103 THR CB C 69.221 0.300 1 1131 103 103 THR CG2 C 21.864 0.300 1 1132 103 103 THR N N 114.031 0.300 1 1133 104 104 GLN H H 8.270 0.030 1 1134 104 104 GLN HA H 4.193 0.030 1 1135 104 104 GLN HB2 H 2.223 0.030 1 1136 104 104 GLN HB3 H 2.223 0.030 1 1137 104 104 GLN HG2 H 2.420 0.030 2 1138 104 104 GLN HG3 H 2.503 0.030 2 1139 104 104 GLN C C 177.687 0.300 1 1140 104 104 GLN CA C 58.965 0.300 1 1141 104 104 GLN CB C 28.108 0.300 1 1142 104 104 GLN CG C 33.741 0.300 1 1143 104 104 GLN N N 123.468 0.300 1 1144 105 105 HIS H H 7.963 0.030 1 1145 105 105 HIS HA H 4.423 0.030 1 1146 105 105 HIS HB2 H 3.253 0.030 1 1147 105 105 HIS HB3 H 3.253 0.030 1 1148 105 105 HIS HD2 H 6.355 0.030 1 1149 105 105 HIS HE1 H 7.883 0.030 1 1150 105 105 HIS C C 177.284 0.300 1 1151 105 105 HIS CA C 58.895 0.300 1 1152 105 105 HIS CB C 30.087 0.300 1 1153 105 105 HIS CD2 C 119.660 0.300 1 1154 105 105 HIS CE1 C 138.184 0.300 1 1155 105 105 HIS N N 118.259 0.300 1 1156 106 106 HIS H H 8.184 0.030 1 1157 106 106 HIS HA H 4.323 0.030 1 1158 106 106 HIS HB2 H 3.243 0.030 2 1159 106 106 HIS HB3 H 2.883 0.030 2 1160 106 106 HIS HD2 H 7.800 0.030 1 1161 106 106 HIS HE1 H 7.806 0.030 1 1162 106 106 HIS C C 176.294 0.300 1 1163 106 106 HIS CA C 58.947 0.300 1 1164 106 106 HIS CB C 30.968 0.300 1 1165 106 106 HIS CD2 C 119.828 0.300 1 1166 106 106 HIS CE1 C 139.043 0.300 1 1167 106 106 HIS N N 116.938 0.300 1 1168 107 107 THR H H 8.274 0.030 1 1169 107 107 THR HA H 4.213 0.030 1 1170 107 107 THR HB H 4.332 0.030 1 1171 107 107 THR HG2 H 1.305 0.030 1 1172 107 107 THR C C 175.347 0.300 1 1173 107 107 THR CA C 65.167 0.300 1 1174 107 107 THR CB C 69.267 0.300 1 1175 107 107 THR CG2 C 21.285 0.300 1 1176 107 107 THR N N 116.875 0.300 1 1177 108 108 GLU H H 8.314 0.030 1 1178 108 108 GLU HA H 4.184 0.030 1 1179 108 108 GLU HB2 H 2.043 0.030 1 1180 108 108 GLU HB3 H 2.043 0.030 1 1181 108 108 GLU HG2 H 2.275 0.030 2 1182 108 108 GLU HG3 H 2.403 0.030 2 1183 108 108 GLU C C 176.955 0.300 1 1184 108 108 GLU CA C 57.733 0.300 1 1185 108 108 GLU CB C 29.835 0.300 1 1186 108 108 GLU CG C 36.373 0.300 1 1187 108 108 GLU N N 123.078 0.300 1 1188 109 109 ALA H H 7.857 0.030 1 1189 109 109 ALA HA H 4.233 0.030 1 1190 109 109 ALA HB H 1.363 0.030 1 1191 109 109 ALA C C 178.241 0.300 1 1192 109 109 ALA CA C 52.976 0.300 1 1193 109 109 ALA CB C 18.966 0.300 1 1194 109 109 ALA N N 122.402 0.300 1 1195 110 110 ILE H H 7.741 0.030 1 1196 110 110 ILE HA H 4.083 0.030 1 1197 110 110 ILE HB H 1.923 0.030 1 1198 110 110 ILE HD1 H 0.902 0.030 1 1199 110 110 ILE HG12 H 1.252 0.030 2 1200 110 110 ILE HG13 H 1.624 0.030 2 1201 110 110 ILE HG2 H 0.953 0.030 1 1202 110 110 ILE C C 177.333 0.300 1 1203 110 110 ILE CA C 62.308 0.300 1 1204 110 110 ILE CB C 38.388 0.300 1 1205 110 110 ILE CD1 C 13.264 0.300 1 1206 110 110 ILE CG1 C 27.656 0.300 1 1207 110 110 ILE CG2 C 17.376 0.300 1 1208 110 110 ILE N N 118.644 0.300 1 1209 111 111 GLY H H 8.310 0.030 1 1210 111 111 GLY HA2 H 3.973 0.030 1 1211 111 111 GLY HA3 H 3.973 0.030 1 1212 111 111 GLY C C 174.454 0.300 1 1213 111 111 GLY CA C 45.524 0.300 1 1214 111 111 GLY N N 111.746 0.300 1 1215 112 112 LYS H H 8.012 0.030 1 1216 112 112 LYS HA H 4.329 0.030 1 1217 112 112 LYS HB2 H 1.773 0.030 2 1218 112 112 LYS HB3 H 1.853 0.030 2 1219 112 112 LYS HD2 H 1.679 0.030 1 1220 112 112 LYS HD3 H 1.679 0.030 1 1221 112 112 LYS HG2 H 1.402 0.030 2 1222 112 112 LYS HG3 H 1.453 0.030 2 1223 112 112 LYS C C 176.539 0.300 1 1224 112 112 LYS CA C 56.431 0.300 1 1225 112 112 LYS CB C 33.001 0.300 1 1226 112 112 LYS CD C 29.218 0.300 1 1227 112 112 LYS CE C 42.294 0.300 1 1228 112 112 LYS CG C 24.695 0.300 1 1229 112 112 LYS N N 120.501 0.300 1 1230 113 113 ASN H H 8.466 0.030 1 1231 113 113 ASN HA H 4.698 0.030 1 1232 113 113 ASN HB2 H 2.801 0.030 1 1233 113 113 ASN HB3 H 2.801 0.030 1 1234 113 113 ASN C C 175.055 0.300 1 1235 113 113 ASN CA C 53.405 0.300 1 1236 113 113 ASN CB C 38.840 0.300 1 1237 113 113 ASN N N 119.187 0.300 1 1238 114 114 ASN H H 8.409 0.030 1 1239 114 114 ASN HA H 4.764 0.030 1 1240 114 114 ASN HB2 H 2.815 0.030 1 1241 114 114 ASN HB3 H 2.815 0.030 1 1242 114 114 ASN C C 175.193 0.300 1 1243 114 114 ASN CA C 53.388 0.300 1 1244 114 114 ASN CB C 38.840 0.300 1 1245 114 114 ASN N N 119.585 0.300 1 1246 115 115 SER H H 8.303 0.030 1 1247 115 115 SER HA H 4.487 0.030 1 1248 115 115 SER HB2 H 3.895 0.030 1 1249 115 115 SER HB3 H 3.895 0.030 1 1250 115 115 SER C C 174.557 0.300 1 1251 115 115 SER CA C 58.490 0.300 1 1252 115 115 SER CB C 63.922 0.300 1 1253 115 115 SER N N 116.056 0.300 1 1254 116 116 GLY H H 8.270 0.030 1 1255 116 116 GLY HA2 H 3.881 0.030 2 1256 116 116 GLY HA3 H 4.487 0.030 2 1257 116 116 GLY C C 171.825 0.300 1 1258 116 116 GLY CA C 44.644 0.300 1 1259 116 116 GLY N N 110.704 0.300 1 1260 117 117 PRO HA H 4.492 0.030 1 1261 117 117 PRO HB2 H 2.288 0.030 2 1262 117 117 PRO HB3 H 1.945 0.030 2 1263 117 117 PRO HD2 H 3.643 0.030 1 1264 117 117 PRO HD3 H 3.643 0.030 1 1265 117 117 PRO HG2 H 2.032 0.030 1 1266 117 117 PRO HG3 H 2.032 0.030 1 1267 117 117 PRO C C 177.431 0.300 1 1268 117 117 PRO CA C 63.258 0.300 1 1269 117 117 PRO CB C 32.179 0.300 1 1270 117 117 PRO CD C 49.834 0.300 1 1271 117 117 PRO CG C 27.080 0.300 1 1272 118 118 SER H H 8.534 0.030 1 1273 118 118 SER C C 174.733 0.300 1 1274 118 118 SER CA C 58.367 0.300 1 1275 118 118 SER CB C 63.922 0.300 1 1276 118 118 SER N N 116.472 0.300 1 stop_ save_