data_10115 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Pleckstrin Homology Domain of Oxysterol-Binding Protein-Related Protein 8 (KIAA1451 Protein) ; _BMRB_accession_number 10115 _BMRB_flat_file_name bmr10115.str _Entry_type original _Submission_date 2007-02-15 _Accession_date 2007-02-16 _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 Tomizawa T. . . 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" 761 "13C chemical shifts" 573 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Pleckstrin Homology Domain of Oxysterol-Binding Protein-Related Protein 8 (KIAA1451 Protein) ; _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 Tomizawa T. . . 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 8' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Oxysterol binding protein-related protein 8' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pleckstrin Homology (PH) Domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; GSSGSSGIVMADWLKIRGTL KSWTKLWCVLKPGVLLIYKT QKNGQWVGTVLLNACEIIER PSKKDGFCFKLFHPLEQSIW AVKGPKGEAVGSITQPLPSS YLIIRATSESDGRCWMDALE LALKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ILE 9 VAL 10 MET 11 ALA 12 ASP 13 TRP 14 LEU 15 LYS 16 ILE 17 ARG 18 GLY 19 THR 20 LEU 21 LYS 22 SER 23 TRP 24 THR 25 LYS 26 LEU 27 TRP 28 CYS 29 VAL 30 LEU 31 LYS 32 PRO 33 GLY 34 VAL 35 LEU 36 LEU 37 ILE 38 TYR 39 LYS 40 THR 41 GLN 42 LYS 43 ASN 44 GLY 45 GLN 46 TRP 47 VAL 48 GLY 49 THR 50 VAL 51 LEU 52 LEU 53 ASN 54 ALA 55 CYS 56 GLU 57 ILE 58 ILE 59 GLU 60 ARG 61 PRO 62 SER 63 LYS 64 LYS 65 ASP 66 GLY 67 PHE 68 CYS 69 PHE 70 LYS 71 LEU 72 PHE 73 HIS 74 PRO 75 LEU 76 GLU 77 GLN 78 SER 79 ILE 80 TRP 81 ALA 82 VAL 83 LYS 84 GLY 85 PRO 86 LYS 87 GLY 88 GLU 89 ALA 90 VAL 91 GLY 92 SER 93 ILE 94 THR 95 GLN 96 PRO 97 LEU 98 PRO 99 SER 100 SER 101 TYR 102 LEU 103 ILE 104 ILE 105 ARG 106 ALA 107 THR 108 SER 109 GLU 110 SER 111 ASP 112 GLY 113 ARG 114 CYS 115 TRP 116 MET 117 ASP 118 ALA 119 LEU 120 GLU 121 LEU 122 ALA 123 LEU 124 LYS 125 SER 126 GLY 127 PRO 128 SER 129 SER 130 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 1V88 "Solution Structure Of The Pleckstrin Homology Domain Of Oxysterol-Binding Protein-Related Protein 8 (Kiaa1451 Protein)" 100.00 130 100.00 100.00 5.92e-87 DBJ BAA95975 "KIAA1451 protein [Homo sapiens]" 91.54 889 99.16 99.16 1.10e-74 DBJ BAB71026 "unnamed protein product [Homo sapiens]" 91.54 420 99.16 99.16 3.03e-79 DBJ BAF82686 "unnamed protein product [Homo sapiens]" 91.54 889 99.16 99.16 1.10e-74 DBJ BAG11327 "oxysterol-binding protein-related protein 8 [synthetic construct]" 91.54 889 99.16 99.16 1.10e-74 EMBL CAH18345 "hypothetical protein [Homo sapiens]" 91.54 847 99.16 99.16 7.72e-75 EMBL CAH91148 "hypothetical protein [Pongo abelii]" 91.54 876 99.16 99.16 1.10e-74 EMBL CAI46050 "hypothetical protein [Homo sapiens]" 92.31 890 97.50 97.50 4.68e-72 GB AAG53411 "OSBP-related protein 8 [Homo sapiens]" 91.54 536 99.16 99.16 3.20e-77 GB AAH82235 "OSBPL8 protein, partial [Homo sapiens]" 91.54 728 99.16 99.16 1.65e-75 GB AAH93834 "Oxysterol binding protein-like 8 [Homo sapiens]" 91.54 889 99.16 99.16 1.10e-74 GB AAI01530 "Oxysterol binding protein-like 8 [Homo sapiens]" 91.54 889 99.16 99.16 1.10e-74 GB AAI11729 "Oxysterol-binding protein-like protein 8, isoform a [Homo sapiens]" 91.54 889 99.16 99.16 1.10e-74 REF NP_001003712 "oxysterol-binding protein-related protein 8 isoform b [Homo sapiens]" 91.54 847 99.16 99.16 6.69e-75 REF NP_001003717 "oxysterol-binding protein-related protein 8 isoform b [Mus musculus]" 91.54 847 99.16 99.16 9.37e-75 REF NP_001120370 "oxysterol-binding protein-related protein 8 [Xenopus (Silurana) tropicalis]" 91.54 866 97.48 97.48 1.01e-72 REF NP_001125671 "oxysterol-binding protein-related protein 8 [Pongo abelii]" 91.54 876 99.16 99.16 1.10e-74 REF NP_001247808 "oxysterol-binding protein-related protein 8 [Macaca mulatta]" 91.54 889 99.16 99.16 1.15e-74 SP B9EJ86 "RecName: Full=Oxysterol-binding protein-related protein 8; Short=ORP-8; Short=OSBP-related protein 8" 91.54 889 99.16 99.16 1.13e-74 SP Q9BZF1 "RecName: Full=Oxysterol-binding protein-related protein 8; Short=ORP-8; Short=OSBP-related protein 8" 91.54 889 99.16 99.16 1.10e-74 TPG DAA30137 "TPA: oxysterol binding protein-like 8 [Bos taurus]" 91.54 865 99.16 99.16 1.03e-74 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 P030428-85 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 1.21 mM '[U-13C; U-15N]' Phosphate 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.854 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Oxysterol binding protein-related protein 8' _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 2 2 SER HA H 4.599 0.030 1 2 2 2 SER HB2 H 3.923 0.030 1 3 2 2 SER HB3 H 3.923 0.030 1 4 2 2 SER C C 174.844 0.300 1 5 2 2 SER CA C 58.351 0.300 1 6 3 3 SER H H 8.599 0.030 1 7 3 3 SER HA H 4.516 0.030 1 8 3 3 SER HB2 H 3.935 0.030 1 9 3 3 SER HB3 H 3.935 0.030 1 10 3 3 SER C C 175.244 0.300 1 11 3 3 SER CA C 58.667 0.300 1 12 3 3 SER CB C 63.790 0.300 1 13 3 3 SER N N 118.199 0.300 1 14 4 4 GLY H H 8.504 0.030 1 15 4 4 GLY HA2 H 4.054 0.030 1 16 4 4 GLY HA3 H 4.054 0.030 1 17 4 4 GLY C C 174.541 0.300 1 18 4 4 GLY CA C 45.527 0.300 1 19 4 4 GLY N N 111.010 0.300 1 20 5 5 SER H H 8.306 0.030 1 21 5 5 SER HA H 4.563 0.030 1 22 5 5 SER HB2 H 3.923 0.030 1 23 5 5 SER HB3 H 3.923 0.030 1 24 5 5 SER C C 174.953 0.300 1 25 5 5 SER CA C 58.403 0.300 1 26 5 5 SER CB C 63.891 0.300 1 27 5 5 SER N N 115.799 0.300 1 28 6 6 SER H H 8.468 0.030 1 29 6 6 SER HA H 4.445 0.030 1 30 6 6 SER HB2 H 3.947 0.030 1 31 6 6 SER HB3 H 3.947 0.030 1 32 6 6 SER C C 175.087 0.300 1 33 6 6 SER CA C 58.843 0.300 1 34 6 6 SER CB C 63.872 0.300 1 35 6 6 SER N N 117.911 0.300 1 36 7 7 GLY H H 8.376 0.030 1 37 7 7 GLY HA2 H 3.876 0.030 2 38 7 7 GLY HA3 H 3.977 0.030 2 39 7 7 GLY C C 173.596 0.300 1 40 7 7 GLY CA C 45.492 0.300 1 41 7 7 GLY N N 110.391 0.300 1 42 8 8 ILE H H 7.808 0.030 1 43 8 8 ILE HA H 4.017 0.030 1 44 8 8 ILE HB H 1.728 0.030 1 45 8 8 ILE HG12 H 1.569 0.030 2 46 8 8 ILE HG13 H 0.837 0.030 2 47 8 8 ILE HG2 H 0.797 0.030 1 48 8 8 ILE HD1 H 0.907 0.030 1 49 8 8 ILE C C 176.601 0.300 1 50 8 8 ILE CA C 62.308 0.300 1 51 8 8 ILE CB C 39.347 0.300 1 52 8 8 ILE CG1 C 28.417 0.300 1 53 8 8 ILE CG2 C 17.581 0.300 1 54 8 8 ILE CD1 C 13.388 0.300 1 55 8 8 ILE N N 119.256 0.300 1 56 9 9 VAL H H 9.177 0.030 1 57 9 9 VAL HA H 3.827 0.030 1 58 9 9 VAL HB H 1.618 0.030 1 59 9 9 VAL HG1 H 0.887 0.030 1 60 9 9 VAL HG2 H 0.872 0.030 1 61 9 9 VAL C C 176.153 0.300 1 62 9 9 VAL CA C 64.437 0.300 1 63 9 9 VAL CB C 32.974 0.300 1 64 9 9 VAL CG1 C 20.751 0.300 2 65 9 9 VAL CG2 C 21.151 0.300 2 66 9 9 VAL N N 129.045 0.300 1 67 10 10 MET H H 7.307 0.030 1 68 10 10 MET HA H 4.302 0.030 1 69 10 10 MET HB2 H 1.397 0.030 2 70 10 10 MET HB3 H 1.346 0.030 2 71 10 10 MET HG2 H 1.536 0.030 2 72 10 10 MET HG3 H 1.387 0.030 2 73 10 10 MET HE H 1.021 0.030 1 74 10 10 MET C C 172.216 0.300 1 75 10 10 MET CA C 55.079 0.300 1 76 10 10 MET CB C 35.935 0.300 1 77 10 10 MET CG C 30.572 0.300 1 78 10 10 MET CE C 15.590 0.300 1 79 10 10 MET N N 115.815 0.300 1 80 11 11 ALA H H 8.146 0.030 1 81 11 11 ALA HA H 5.438 0.030 1 82 11 11 ALA HB H 1.246 0.030 1 83 11 11 ALA C C 175.099 0.300 1 84 11 11 ALA CA C 51.701 0.300 1 85 11 11 ALA CB C 22.286 0.300 1 86 11 11 ALA N N 123.506 0.300 1 87 12 12 ASP H H 8.340 0.030 1 88 12 12 ASP HA H 4.243 0.030 1 89 12 12 ASP HB2 H 2.762 0.030 2 90 12 12 ASP HB3 H 3.006 0.030 2 91 12 12 ASP C C 174.578 0.300 1 92 12 12 ASP CA C 53.144 0.300 1 93 12 12 ASP CB C 43.869 0.300 1 94 12 12 ASP N N 119.725 0.300 1 95 13 13 TRP H H 9.173 0.030 1 96 13 13 TRP HA H 5.320 0.030 1 97 13 13 TRP HB2 H 3.216 0.030 2 98 13 13 TRP HB3 H 3.047 0.030 2 99 13 13 TRP HD1 H 7.734 0.030 1 100 13 13 TRP HE1 H 10.317 0.030 1 101 13 13 TRP HE3 H 7.558 0.030 1 102 13 13 TRP HZ2 H 7.634 0.030 1 103 13 13 TRP HZ3 H 7.310 0.030 1 104 13 13 TRP HH2 H 7.458 0.030 1 105 13 13 TRP C C 176.637 0.300 1 106 13 13 TRP CA C 56.362 0.300 1 107 13 13 TRP CB C 31.084 0.300 1 108 13 13 TRP CD1 C 128.773 0.300 1 109 13 13 TRP CE3 C 120.754 0.300 1 110 13 13 TRP CZ2 C 115.281 0.300 1 111 13 13 TRP CZ3 C 122.594 0.300 1 112 13 13 TRP CH2 C 124.489 0.300 1 113 13 13 TRP N N 119.965 0.300 1 114 13 13 TRP NE1 N 130.099 0.300 1 115 14 14 LEU H H 9.270 0.030 1 116 14 14 LEU HA H 4.646 0.030 1 117 14 14 LEU HB2 H 1.716 0.030 2 118 14 14 LEU HB3 H 1.002 0.030 2 119 14 14 LEU HG H 0.877 0.030 1 120 14 14 LEU HD1 H -0.403 0.030 1 121 14 14 LEU HD2 H 0.104 0.030 1 122 14 14 LEU C C 175.608 0.300 1 123 14 14 LEU CA C 53.813 0.300 1 124 14 14 LEU CB C 46.501 0.300 1 125 14 14 LEU CG C 26.256 0.300 1 126 14 14 LEU CD1 C 22.302 0.300 2 127 14 14 LEU CD2 C 21.768 0.300 2 128 14 14 LEU N N 123.092 0.300 1 129 15 15 LYS H H 8.017 0.030 1 130 15 15 LYS HA H 5.177 0.030 1 131 15 15 LYS HB2 H 1.600 0.030 2 132 15 15 LYS HG2 H 1.467 0.030 2 133 15 15 LYS HG3 H 1.077 0.030 2 134 15 15 LYS HD2 H 1.309 0.030 2 135 15 15 LYS HD3 H 1.387 0.030 2 136 15 15 LYS HE2 H 2.747 0.030 2 137 15 15 LYS HE3 H 2.706 0.030 2 138 15 15 LYS C C 174.904 0.300 1 139 15 15 LYS CA C 55.571 0.300 1 140 15 15 LYS CB C 34.323 0.300 1 141 15 15 LYS CG C 26.543 0.300 1 142 15 15 LYS CD C 29.668 0.300 1 143 15 15 LYS CE C 42.166 0.300 1 144 15 15 LYS N N 118.230 0.300 1 145 16 16 ILE H H 8.975 0.030 1 146 16 16 ILE HA H 5.113 0.030 1 147 16 16 ILE HB H 1.766 0.030 1 148 16 16 ILE HG12 H 1.522 0.030 2 149 16 16 ILE HG13 H 1.160 0.030 2 150 16 16 ILE HG2 H 0.907 0.030 1 151 16 16 ILE HD1 H 0.787 0.030 1 152 16 16 ILE C C 175.922 0.300 1 153 16 16 ILE CA C 59.599 0.300 1 154 16 16 ILE CB C 40.722 0.300 1 155 16 16 ILE CG1 C 28.217 0.300 1 156 16 16 ILE CG2 C 19.637 0.300 1 157 16 16 ILE CD1 C 13.467 0.300 1 158 16 16 ILE N N 122.926 0.300 1 159 17 17 ARG H H 8.633 0.030 1 160 17 17 ARG HA H 4.027 0.030 1 161 17 17 ARG HB2 H 1.386 0.030 2 162 17 17 ARG HB3 H 0.259 0.030 2 163 17 17 ARG HG2 H 0.188 0.030 2 164 17 17 ARG HG3 H 1.068 0.030 2 165 17 17 ARG HD2 H 2.487 0.030 2 166 17 17 ARG HD3 H 2.017 0.030 2 167 17 17 ARG CA C 55.923 0.300 1 168 17 17 ARG CB C 31.183 0.300 1 169 17 17 ARG CG C 26.877 0.300 1 170 17 17 ARG CD C 43.461 0.300 1 171 17 17 ARG N N 130.519 0.300 1 172 18 18 GLY H H 8.203 0.030 1 173 18 18 GLY HA2 H 4.508 0.030 2 174 18 18 GLY HA3 H 3.788 0.030 2 175 18 18 GLY CA C 44.549 0.300 1 176 18 18 GLY N N 110.673 0.300 1 177 19 19 THR H H 8.518 0.030 1 178 19 19 THR HA H 3.947 0.030 1 179 19 19 THR HB H 4.067 0.030 1 180 19 19 THR HG2 H 1.097 0.030 1 181 19 19 THR C C 176.104 0.300 1 182 19 19 THR CA C 64.789 0.300 1 183 19 19 THR CB C 68.614 0.300 1 184 19 19 THR CG2 C 22.432 0.300 1 185 19 19 THR N N 115.996 0.300 1 186 20 20 LEU H H 8.281 0.030 1 187 20 20 LEU HA H 4.405 0.030 1 188 20 20 LEU HB2 H 1.617 0.030 2 189 20 20 LEU HB3 H 1.685 0.030 2 190 20 20 LEU HG H 1.588 0.030 1 191 20 20 LEU HD1 H 0.904 0.030 1 192 20 20 LEU HD2 H 0.821 0.030 1 193 20 20 LEU C C 176.952 0.300 1 194 20 20 LEU CA C 54.657 0.300 1 195 20 20 LEU CB C 40.621 0.300 1 196 20 20 LEU CG C 27.089 0.300 1 197 20 20 LEU CD1 C 25.242 0.300 2 198 20 20 LEU CD2 C 22.597 0.300 2 199 20 20 LEU N N 120.633 0.300 1 200 21 21 LYS H H 7.826 0.030 1 201 21 21 LYS HA H 3.597 0.030 1 202 21 21 LYS HB2 H 1.843 0.030 2 203 21 21 LYS HB3 H 1.997 0.030 2 204 21 21 LYS HG2 H 1.318 0.030 2 205 21 21 LYS HG3 H 1.146 0.030 2 206 21 21 LYS HE2 H 2.972 0.030 2 207 21 21 LYS C C 175.038 0.300 1 208 21 21 LYS CA C 57.753 0.300 1 209 21 21 LYS CB C 30.385 0.300 1 210 21 21 LYS CG C 25.392 0.300 1 211 21 21 LYS CD C 29.421 0.300 1 212 21 21 LYS CE C 42.166 0.300 1 213 21 21 LYS N N 113.336 0.300 1 214 22 22 SER H H 7.371 0.030 1 215 22 22 SER HA H 4.536 0.030 1 216 22 22 SER HB2 H 3.877 0.030 2 217 22 22 SER HB3 H 3.797 0.030 2 218 22 22 SER C C 173.172 0.300 1 219 22 22 SER CA C 57.154 0.300 1 220 22 22 SER CB C 64.384 0.300 1 221 22 22 SER N N 113.061 0.300 1 222 23 23 TRP H H 8.690 0.030 1 223 23 23 TRP HA H 4.919 0.030 1 224 23 23 TRP HB2 H 3.078 0.030 2 225 23 23 TRP HB3 H 2.880 0.030 2 226 23 23 TRP HD1 H 7.386 0.030 1 227 23 23 TRP HE1 H 10.286 0.030 1 228 23 23 TRP HE3 H 7.097 0.030 1 229 23 23 TRP HZ2 H 7.472 0.030 1 230 23 23 TRP HH2 H 6.996 0.030 1 231 23 23 TRP C C 176.565 0.300 1 232 23 23 TRP CA C 56.433 0.300 1 233 23 23 TRP CB C 31.700 0.300 1 234 23 23 TRP CD1 C 128.828 0.300 1 235 23 23 TRP CE3 C 120.012 0.300 1 236 23 23 TRP CZ2 C 114.439 0.300 1 237 23 23 TRP CH2 C 124.297 0.300 1 238 23 23 TRP N N 121.579 0.300 1 239 23 23 TRP NE1 N 131.086 0.300 1 240 24 24 THR H H 8.885 0.030 1 241 24 24 THR HA H 4.670 0.030 1 242 24 24 THR HB H 3.867 0.030 1 243 24 24 THR HG2 H 1.284 0.030 1 244 24 24 THR C C 172.663 0.300 1 245 24 24 THR CA C 61.763 0.300 1 246 24 24 THR CB C 70.838 0.300 1 247 24 24 THR CG2 C 21.199 0.300 1 248 24 24 THR N N 119.315 0.300 1 249 25 25 LYS H H 8.867 0.030 1 250 25 25 LYS HA H 5.037 0.030 1 251 25 25 LYS HB2 H 1.944 0.030 2 252 25 25 LYS HB3 H 1.538 0.030 2 253 25 25 LYS HG2 H 1.380 0.030 2 254 25 25 LYS HG3 H 1.337 0.030 2 255 25 25 LYS HD2 H 1.384 0.030 2 256 25 25 LYS HD3 H 1.307 0.030 2 257 25 25 LYS HE2 H 2.257 0.030 2 258 25 25 LYS HE3 H 2.147 0.030 2 259 25 25 LYS C C 174.808 0.300 1 260 25 25 LYS CA C 56.521 0.300 1 261 25 25 LYS CB C 33.427 0.300 1 262 25 25 LYS CG C 25.639 0.300 1 263 25 25 LYS CD C 29.703 0.300 1 264 25 25 LYS CE C 41.121 0.300 1 265 25 25 LYS N N 130.174 0.300 1 266 26 26 LEU H H 9.359 0.030 1 267 26 26 LEU HA H 5.196 0.030 1 268 26 26 LEU HB2 H 1.368 0.030 2 269 26 26 LEU HB3 H 1.767 0.030 2 270 26 26 LEU HG H 1.594 0.030 1 271 26 26 LEU HD1 H 0.820 0.030 1 272 26 26 LEU HD2 H 1.118 0.030 1 273 26 26 LEU C C 174.311 0.300 1 274 26 26 LEU CA C 54.287 0.300 1 275 26 26 LEU CB C 45.966 0.300 1 276 26 26 LEU CG C 27.021 0.300 1 277 26 26 LEU CD1 C 25.669 0.300 2 278 26 26 LEU CD2 C 24.406 0.300 2 279 26 26 LEU N N 129.746 0.300 1 280 27 27 TRP H H 8.603 0.030 1 281 27 27 TRP HA H 4.285 0.030 1 282 27 27 TRP HB2 H 2.626 0.030 2 283 27 27 TRP HB3 H 1.683 0.030 2 284 27 27 TRP HD1 H 6.597 0.030 1 285 27 27 TRP HE1 H 9.627 0.030 1 286 27 27 TRP HE3 H 5.194 0.030 1 287 27 27 TRP HZ2 H 7.171 0.030 1 288 27 27 TRP HZ3 H 6.585 0.030 1 289 27 27 TRP HH2 H 7.027 0.030 1 290 27 27 TRP C C 174.238 0.300 1 291 27 27 TRP CA C 56.873 0.300 1 292 27 27 TRP CB C 29.192 0.300 1 293 27 27 TRP CD1 C 126.466 0.300 1 294 27 27 TRP CE3 C 119.970 0.300 1 295 27 27 TRP CZ2 C 114.182 0.300 1 296 27 27 TRP CZ3 C 121.899 0.300 1 297 27 27 TRP CH2 C 124.207 0.300 1 298 27 27 TRP N N 125.537 0.300 1 299 27 27 TRP NE1 N 127.968 0.300 1 300 28 28 CYS H H 7.937 0.030 1 301 28 28 CYS HA H 5.464 0.030 1 302 28 28 CYS HB2 H 2.690 0.030 2 303 28 28 CYS HB3 H 2.238 0.030 2 304 28 28 CYS C C 172.773 0.300 1 305 28 28 CYS CA C 57.963 0.300 1 306 28 28 CYS CB C 30.837 0.300 1 307 28 28 CYS N N 125.854 0.300 1 308 29 29 VAL H H 9.503 0.030 1 309 29 29 VAL HA H 4.376 0.030 1 310 29 29 VAL HB H 2.377 0.030 1 311 29 29 VAL HG1 H 1.074 0.030 1 312 29 29 VAL HG2 H 1.067 0.030 1 313 29 29 VAL C C 173.984 0.300 1 314 29 29 VAL CA C 61.640 0.300 1 315 29 29 VAL CB C 35.259 0.300 1 316 29 29 VAL CG1 C 22.021 0.300 2 317 29 29 VAL CG2 C 21.111 0.300 2 318 29 29 VAL N N 122.558 0.300 1 319 30 30 LEU H H 9.238 0.030 1 320 30 30 LEU HA H 5.251 0.030 1 321 30 30 LEU HB2 H 1.955 0.030 2 322 30 30 LEU HB3 H 1.421 0.030 2 323 30 30 LEU HG H 1.237 0.030 1 324 30 30 LEU HD1 H 0.671 0.030 1 325 30 30 LEU HD2 H 1.067 0.030 1 326 30 30 LEU C C 174.772 0.300 1 327 30 30 LEU CA C 53.971 0.300 1 328 30 30 LEU CB C 45.103 0.300 1 329 30 30 LEU CG C 27.705 0.300 1 330 30 30 LEU CD1 C 27.119 0.300 2 331 30 30 LEU CD2 C 25.146 0.300 2 332 30 30 LEU N N 129.343 0.300 1 333 31 31 LYS H H 9.027 0.030 1 334 31 31 LYS HA H 4.907 0.030 1 335 31 31 LYS HB2 H 2.067 0.030 2 336 31 31 LYS HB3 H 1.497 0.030 2 337 31 31 LYS HG2 H 1.464 0.030 1 338 31 31 LYS HG3 H 1.464 0.030 1 339 31 31 LYS HD2 H 1.667 0.030 1 340 31 31 LYS HD3 H 1.667 0.030 1 341 31 31 LYS HE2 H 2.897 0.030 1 342 31 31 LYS HE3 H 2.897 0.030 1 343 31 31 LYS C C 172.712 0.300 1 344 31 31 LYS CA C 54.094 0.300 1 345 31 31 LYS CB C 33.921 0.300 1 346 31 31 LYS CG C 25.971 0.300 1 347 31 31 LYS CD C 29.741 0.300 1 348 31 31 LYS CE C 42.193 0.300 1 349 31 31 LYS N N 127.695 0.300 1 350 32 32 PRO HA H 4.168 0.030 1 351 32 32 PRO HB2 H 2.273 0.030 2 352 32 32 PRO HB3 H 1.885 0.030 2 353 32 32 PRO HG2 H 2.193 0.030 2 354 32 32 PRO HG3 H 1.901 0.030 2 355 32 32 PRO HD2 H 3.805 0.030 2 356 32 32 PRO HD3 H 3.647 0.030 2 357 32 32 PRO C C 177.970 0.300 1 358 32 32 PRO CA C 65.575 0.300 1 359 32 32 PRO CB C 30.901 0.300 1 360 32 32 PRO CG C 28.517 0.300 1 361 32 32 PRO CD C 49.902 0.300 1 362 33 33 GLY H H 8.288 0.030 1 363 33 33 GLY HA2 H 4.314 0.030 2 364 33 33 GLY HA3 H 3.777 0.030 2 365 33 33 GLY C C 174.008 0.300 1 366 33 33 GLY CA C 47.005 0.300 1 367 33 33 GLY N N 112.085 0.300 1 368 34 34 VAL H H 8.267 0.030 1 369 34 34 VAL HA H 5.487 0.030 1 370 34 34 VAL HB H 1.967 0.030 1 371 34 34 VAL HG1 H 0.975 0.030 1 372 34 34 VAL HG2 H 0.886 0.030 1 373 34 34 VAL C C 171.840 0.300 1 374 34 34 VAL CA C 60.374 0.300 1 375 34 34 VAL CB C 38.073 0.300 1 376 34 34 VAL CG1 C 23.565 0.300 2 377 34 34 VAL CG2 C 19.554 0.300 2 378 34 34 VAL N N 116.857 0.300 1 379 35 35 LEU H H 8.385 0.030 1 380 35 35 LEU HA H 5.322 0.030 1 381 35 35 LEU HB2 H 1.956 0.030 2 382 35 35 LEU HB3 H 1.088 0.030 2 383 35 35 LEU HG H 1.346 0.030 1 384 35 35 LEU HD1 H 0.999 0.030 1 385 35 35 LEU HD2 H 0.647 0.030 1 386 35 35 LEU C C 174.917 0.300 1 387 35 35 LEU CA C 53.197 0.300 1 388 35 35 LEU CB C 45.884 0.300 1 389 35 35 LEU CG C 27.415 0.300 1 390 35 35 LEU CD1 C 24.714 0.300 2 391 35 35 LEU CD2 C 25.417 0.300 2 392 35 35 LEU N N 122.657 0.300 1 393 36 36 LEU H H 9.728 0.030 1 394 36 36 LEU HA H 4.919 0.030 1 395 36 36 LEU HB2 H 1.664 0.030 2 396 36 36 LEU HB3 H 2.259 0.030 2 397 36 36 LEU HG H 1.847 0.030 1 398 36 36 LEU HD1 H 1.147 0.030 1 399 36 36 LEU HD2 H 1.137 0.030 1 400 36 36 LEU C C 175.426 0.300 1 401 36 36 LEU CA C 56.046 0.300 1 402 36 36 LEU CB C 45.081 0.300 1 403 36 36 LEU CG C 27.995 0.300 1 404 36 36 LEU CD1 C 26.156 0.300 2 405 36 36 LEU CD2 C 26.671 0.300 2 406 36 36 LEU N N 129.037 0.300 1 407 37 37 ILE H H 8.678 0.030 1 408 37 37 ILE HA H 4.895 0.030 1 409 37 37 ILE HB H 1.592 0.030 1 410 37 37 ILE HG12 H 1.029 0.030 2 411 37 37 ILE HG13 H 1.657 0.030 2 412 37 37 ILE HG2 H 0.794 0.030 1 413 37 37 ILE HD1 H 0.746 0.030 1 414 37 37 ILE C C 174.699 0.300 1 415 37 37 ILE CA C 61.271 0.300 1 416 37 37 ILE CB C 39.799 0.300 1 417 37 37 ILE CG1 C 26.546 0.300 1 418 37 37 ILE CG2 C 19.798 0.300 1 419 37 37 ILE CD1 C 13.717 0.300 1 420 37 37 ILE N N 120.901 0.300 1 421 38 38 TYR H H 10.048 0.030 1 422 38 38 TYR HA H 5.317 0.030 1 423 38 38 TYR HB2 H 3.366 0.030 2 424 38 38 TYR HB3 H 3.155 0.030 2 425 38 38 TYR HD1 H 7.161 0.030 1 426 38 38 TYR HD2 H 7.161 0.030 1 427 38 38 TYR HE1 H 6.978 0.030 1 428 38 38 TYR HE2 H 6.978 0.030 1 429 38 38 TYR C C 175.825 0.300 1 430 38 38 TYR CA C 56.627 0.300 1 431 38 38 TYR CB C 43.129 0.300 1 432 38 38 TYR CD1 C 133.650 0.300 1 433 38 38 TYR CD2 C 133.650 0.300 1 434 38 38 TYR CE1 C 118.423 0.300 1 435 38 38 TYR CE2 C 118.423 0.300 1 436 38 38 TYR N N 125.774 0.300 1 437 39 39 LYS H H 8.926 0.030 1 438 39 39 LYS HA H 4.497 0.030 1 439 39 39 LYS HB2 H 2.157 0.030 2 440 39 39 LYS HB3 H 2.026 0.030 2 441 39 39 LYS HG2 H 1.438 0.030 2 442 39 39 LYS HG3 H 1.718 0.030 2 443 39 39 LYS HD2 H 1.725 0.030 1 444 39 39 LYS HD3 H 1.725 0.030 1 445 39 39 LYS HE2 H 3.067 0.030 2 446 39 39 LYS HE3 H 2.917 0.030 2 447 39 39 LYS C C 177.025 0.300 1 448 39 39 LYS CA C 59.230 0.300 1 449 39 39 LYS CB C 34.002 0.300 1 450 39 39 LYS CG C 26.297 0.300 1 451 39 39 LYS CD C 29.174 0.300 1 452 39 39 LYS CE C 42.166 0.300 1 453 39 39 LYS N N 118.155 0.300 1 454 40 40 THR H H 7.506 0.030 1 455 40 40 THR HA H 5.027 0.030 1 456 40 40 THR HB H 4.598 0.030 1 457 40 40 THR HG2 H 1.278 0.030 1 458 40 40 THR C C 172.264 0.300 1 459 40 40 THR CA C 59.072 0.300 1 460 40 40 THR CB C 71.441 0.300 1 461 40 40 THR CG2 C 21.445 0.300 1 462 40 40 THR N N 103.531 0.300 1 463 41 41 GLN H H 7.707 0.030 1 464 41 41 GLN HA H 2.157 0.030 1 465 41 41 GLN HB2 H 1.116 0.030 2 466 41 41 GLN HB3 H 0.618 0.030 2 467 41 41 GLN HG2 H 1.013 0.030 2 468 41 41 GLN HG3 H 0.617 0.030 2 469 41 41 GLN HE21 H 6.687 0.030 2 470 41 41 GLN HE22 H 6.850 0.030 2 471 41 41 GLN C C 175.947 0.300 1 472 41 41 GLN CA C 56.918 0.300 1 473 41 41 GLN CB C 28.412 0.300 1 474 41 41 GLN CG C 32.236 0.300 1 475 41 41 GLN N N 119.124 0.300 1 476 41 41 GLN NE2 N 111.718 0.300 1 477 42 42 LYS H H 7.738 0.030 1 478 42 42 LYS HA H 4.088 0.030 1 479 42 42 LYS HB2 H 1.728 0.030 2 480 42 42 LYS HB3 H 1.517 0.030 2 481 42 42 LYS HG2 H 1.216 0.030 2 482 42 42 LYS HG3 H 1.166 0.030 2 483 42 42 LYS HD2 H 1.567 0.030 1 484 42 42 LYS HD3 H 1.567 0.030 1 485 42 42 LYS HE2 H 2.882 0.030 1 486 42 42 LYS HE3 H 2.882 0.030 1 487 42 42 LYS C C 175.765 0.300 1 488 42 42 LYS CA C 55.571 0.300 1 489 42 42 LYS CB C 32.417 0.300 1 490 42 42 LYS CG C 24.863 0.300 1 491 42 42 LYS CD C 29.010 0.300 1 492 42 42 LYS CE C 42.248 0.300 1 493 42 42 LYS N N 117.637 0.300 1 494 43 43 ASN H H 8.167 0.030 1 495 43 43 ASN HA H 4.068 0.030 1 496 43 43 ASN HB2 H 2.677 0.030 1 497 43 43 ASN HB3 H 2.677 0.030 1 498 43 43 ASN HD21 H 6.710 0.030 2 499 43 43 ASN HD22 H 7.346 0.030 2 500 43 43 ASN C C 175.135 0.300 1 501 43 43 ASN CA C 53.531 0.300 1 502 43 43 ASN CB C 37.268 0.300 1 503 43 43 ASN N N 118.673 0.300 1 504 43 43 ASN ND2 N 111.430 0.300 1 505 44 44 GLY H H 7.786 0.030 1 506 44 44 GLY HA2 H 4.017 0.030 2 507 44 44 GLY HA3 H 3.687 0.030 2 508 44 44 GLY C C 174.263 0.300 1 509 44 44 GLY CA C 46.020 0.300 1 510 44 44 GLY N N 106.418 0.300 1 511 45 45 GLN H H 8.929 0.030 1 512 45 45 GLN HA H 4.285 0.030 1 513 45 45 GLN HB2 H 2.418 0.030 2 514 45 45 GLN HB3 H 2.098 0.030 2 515 45 45 GLN HG2 H 2.501 0.030 1 516 45 45 GLN HG3 H 2.501 0.030 1 517 45 45 GLN HE21 H 6.946 0.030 2 518 45 45 GLN HE22 H 7.631 0.030 2 519 45 45 GLN C C 175.208 0.300 1 520 45 45 GLN CA C 56.732 0.300 1 521 45 45 GLN CB C 28.083 0.300 1 522 45 45 GLN CG C 33.943 0.300 1 523 45 45 GLN N N 119.912 0.300 1 524 45 45 GLN NE2 N 112.317 0.300 1 525 46 46 TRP H H 8.998 0.030 1 526 46 46 TRP HA H 4.230 0.030 1 527 46 46 TRP HB2 H 3.264 0.030 1 528 46 46 TRP HB3 H 3.264 0.030 1 529 46 46 TRP HD1 H 6.280 0.030 1 530 46 46 TRP HE1 H 10.399 0.030 1 531 46 46 TRP HE3 H 7.305 0.030 1 532 46 46 TRP HZ2 H 7.497 0.030 1 533 46 46 TRP HZ3 H 6.539 0.030 1 534 46 46 TRP HH2 H 6.747 0.030 1 535 46 46 TRP C C 175.571 0.300 1 536 46 46 TRP CA C 60.074 0.300 1 537 46 46 TRP CB C 28.224 0.300 1 538 46 46 TRP CD1 C 124.893 0.300 1 539 46 46 TRP CE3 C 120.999 0.300 1 540 46 46 TRP CZ2 C 115.171 0.300 1 541 46 46 TRP CZ3 C 121.877 0.300 1 542 46 46 TRP CH2 C 124.976 0.300 1 543 46 46 TRP N N 126.187 0.300 1 544 46 46 TRP NE1 N 133.350 0.300 1 545 47 47 VAL H H 9.088 0.030 1 546 47 47 VAL HA H 3.497 0.030 1 547 47 47 VAL HB H 1.417 0.030 1 548 47 47 VAL HG1 H 0.504 0.030 1 549 47 47 VAL HG2 H 0.817 0.030 1 550 47 47 VAL C C 174.796 0.300 1 551 47 47 VAL CA C 63.082 0.300 1 552 47 47 VAL CB C 33.386 0.300 1 553 47 47 VAL CG1 C 20.349 0.300 2 554 47 47 VAL CG2 C 21.857 0.300 2 555 47 47 VAL N N 129.799 0.300 1 556 48 48 GLY H H 6.480 0.030 1 557 48 48 GLY HA2 H 3.378 0.030 2 558 48 48 GLY HA3 H 3.187 0.030 2 559 48 48 GLY C C 170.132 0.300 1 560 48 48 GLY CA C 46.090 0.300 1 561 48 48 GLY N N 103.593 0.300 1 562 49 49 THR H H 9.675 0.030 1 563 49 49 THR HA H 5.547 0.030 1 564 49 49 THR HB H 4.427 0.030 1 565 49 49 THR HG2 H 1.197 0.030 1 566 49 49 THR C C 172.785 0.300 1 567 49 49 THR CA C 60.537 0.300 1 568 49 49 THR CB C 72.206 0.300 1 569 49 49 THR CG2 C 23.283 0.300 1 570 49 49 THR N N 119.139 0.300 1 571 50 50 VAL H H 9.608 0.030 1 572 50 50 VAL HA H 3.948 0.030 1 573 50 50 VAL HB H 1.897 0.030 1 574 50 50 VAL HG1 H 0.466 0.030 1 575 50 50 VAL HG2 H 0.148 0.030 1 576 50 50 VAL C C 175.886 0.300 1 577 50 50 VAL CA C 61.271 0.300 1 578 50 50 VAL CB C 32.546 0.300 1 579 50 50 VAL CG1 C 22.597 0.300 2 580 50 50 VAL CG2 C 21.748 0.300 2 581 50 50 VAL N N 128.455 0.300 1 582 51 51 LEU H H 8.676 0.030 1 583 51 51 LEU HA H 4.518 0.030 1 584 51 51 LEU HB2 H 1.777 0.030 2 585 51 51 LEU HB3 H 1.408 0.030 2 586 51 51 LEU HG H 1.667 0.030 1 587 51 51 LEU HD1 H 0.919 0.030 1 588 51 51 LEU HD2 H 0.907 0.030 1 589 51 51 LEU CA C 53.249 0.300 1 590 51 51 LEU CB C 39.799 0.300 1 591 51 51 LEU CG C 26.381 0.300 1 592 51 51 LEU CD1 C 25.897 0.300 2 593 51 51 LEU CD2 C 23.024 0.300 2 594 51 51 LEU N N 128.346 0.300 1 595 52 52 LEU H H 7.729 0.030 1 596 52 52 LEU HA H 3.958 0.030 1 597 52 52 LEU HB2 H 1.446 0.030 1 598 52 52 LEU HB3 H 1.446 0.030 1 599 52 52 LEU HG H 1.488 0.030 1 600 52 52 LEU HD1 H 0.719 0.030 1 601 52 52 LEU HD2 H 0.687 0.030 1 602 52 52 LEU C C 177.558 0.300 1 603 52 52 LEU CA C 57.136 0.300 1 604 52 52 LEU CB C 41.402 0.300 1 605 52 52 LEU CG C 26.521 0.300 1 606 52 52 LEU CD1 C 27.344 0.300 2 607 52 52 LEU CD2 C 22.925 0.300 2 608 52 52 LEU N N 122.973 0.300 1 609 53 53 ASN H H 8.357 0.030 1 610 53 53 ASN HA H 4.508 0.030 1 611 53 53 ASN HB2 H 2.788 0.030 2 612 53 53 ASN HB3 H 2.837 0.030 2 613 53 53 ASN HD21 H 7.050 0.030 2 614 53 53 ASN HD22 H 7.676 0.030 2 615 53 53 ASN C C 175.389 0.300 1 616 53 53 ASN CA C 55.800 0.300 1 617 53 53 ASN CB C 38.442 0.300 1 618 53 53 ASN N N 113.387 0.300 1 619 53 53 ASN ND2 N 111.979 0.300 1 620 54 54 ALA H H 7.925 0.030 1 621 54 54 ALA HA H 4.248 0.030 1 622 54 54 ALA HB H 1.410 0.030 1 623 54 54 ALA C C 176.782 0.300 1 624 54 54 ALA CA C 52.194 0.300 1 625 54 54 ALA CB C 19.367 0.300 1 626 54 54 ALA N N 121.229 0.300 1 627 55 55 CYS H H 7.405 0.030 1 628 55 55 CYS HA H 4.495 0.030 1 629 55 55 CYS HB2 H 2.868 0.030 2 630 55 55 CYS HB3 H 2.468 0.030 2 631 55 55 CYS C C 173.984 0.300 1 632 55 55 CYS CA C 60.145 0.300 1 633 55 55 CYS CB C 30.138 0.300 1 634 55 55 CYS N N 113.248 0.300 1 635 56 56 GLU H H 8.371 0.030 1 636 56 56 GLU HA H 4.314 0.030 1 637 56 56 GLU HB2 H 1.630 0.030 2 638 56 56 GLU HB3 H 0.658 0.030 2 639 56 56 GLU HG2 H 1.937 0.030 2 640 56 56 GLU HG3 H 2.027 0.030 2 641 56 56 GLU C C 174.311 0.300 1 642 56 56 GLU CA C 54.581 0.300 1 643 56 56 GLU CB C 33.098 0.300 1 644 56 56 GLU CG C 36.301 0.300 1 645 56 56 GLU N N 118.628 0.300 1 646 57 57 ILE H H 8.438 0.030 1 647 57 57 ILE HA H 5.716 0.030 1 648 57 57 ILE HB H 1.617 0.030 1 649 57 57 ILE HG12 H 1.017 0.030 2 650 57 57 ILE HG13 H 1.620 0.030 2 651 57 57 ILE HG2 H 0.883 0.030 1 652 57 57 ILE HD1 H 0.819 0.030 1 653 57 57 ILE C C 175.062 0.300 1 654 57 57 ILE CA C 59.459 0.300 1 655 57 57 ILE CB C 42.120 0.300 1 656 57 57 ILE CG1 C 28.555 0.300 1 657 57 57 ILE CG2 C 17.277 0.300 1 658 57 57 ILE CD1 C 16.003 0.300 1 659 57 57 ILE N N 118.228 0.300 1 660 58 58 ILE H H 9.028 0.030 1 661 58 58 ILE HA H 4.845 0.030 1 662 58 58 ILE HB H 2.027 0.030 1 663 58 58 ILE HG12 H 1.677 0.030 2 664 58 58 ILE HG13 H 1.422 0.030 2 665 58 58 ILE HG2 H 1.037 0.030 1 666 58 58 ILE HD1 H 0.909 0.030 1 667 58 58 ILE C C 174.166 0.300 1 668 58 58 ILE CA C 59.494 0.300 1 669 58 58 ILE CB C 43.111 0.300 1 670 58 58 ILE CG1 C 27.381 0.300 1 671 58 58 ILE CG2 C 17.699 0.300 1 672 58 58 ILE CD1 C 13.980 0.300 1 673 58 58 ILE N N 123.037 0.300 1 674 59 59 GLU H H 8.967 0.030 1 675 59 59 GLU HA H 4.276 0.030 1 676 59 59 GLU HB2 H 2.117 0.030 1 677 59 59 GLU HB3 H 2.117 0.030 1 678 59 59 GLU HG2 H 2.306 0.030 1 679 59 59 GLU HG3 H 2.306 0.030 1 680 59 59 GLU C C 175.644 0.300 1 681 59 59 GLU CA C 57.331 0.300 1 682 59 59 GLU CB C 30.983 0.300 1 683 59 59 GLU CG C 36.474 0.300 1 684 59 59 GLU N N 125.897 0.300 1 685 60 60 ARG H H 8.456 0.030 1 686 60 60 ARG HA H 4.684 0.030 1 687 60 60 ARG HB2 H 1.705 0.030 2 688 60 60 ARG HB3 H 1.368 0.030 2 689 60 60 ARG HG2 H 1.559 0.030 2 690 60 60 ARG HD2 H 3.047 0.030 1 691 60 60 ARG HD3 H 3.047 0.030 1 692 60 60 ARG C C 172.639 0.300 1 693 60 60 ARG CA C 53.214 0.300 1 694 60 60 ARG CB C 31.248 0.300 1 695 60 60 ARG CG C 27.091 0.300 1 696 60 60 ARG CD C 43.931 0.300 1 697 60 60 ARG N N 124.443 0.300 1 698 61 61 PRO HA H 4.483 0.030 1 699 61 61 PRO HB2 H 1.977 0.030 2 700 61 61 PRO HB3 H 2.320 0.030 2 701 61 61 PRO HG2 H 2.037 0.030 2 702 61 61 PRO HD2 H 3.597 0.030 2 703 61 61 PRO HD3 H 3.669 0.030 2 704 61 61 PRO CA C 63.955 0.300 1 705 61 61 PRO CB C 32.299 0.300 1 706 61 61 PRO CG C 27.311 0.300 1 707 61 61 PRO CD C 50.552 0.300 1 708 62 62 SER H H 8.226 0.030 1 709 62 62 SER HA H 4.703 0.030 1 710 62 62 SER HB2 H 4.036 0.030 2 711 62 62 SER HB3 H 3.862 0.030 2 712 62 62 SER CA C 57.084 0.300 1 713 62 62 SER CB C 64.792 0.300 1 714 62 62 SER N N 114.844 0.300 1 715 63 63 LYS H H 7.747 0.030 1 716 63 63 LYS HA H 4.316 0.030 1 717 63 63 LYS HB2 H 1.957 0.030 2 718 63 63 LYS HB3 H 1.837 0.030 2 719 63 63 LYS HG2 H 1.527 0.030 2 720 63 63 LYS HG3 H 1.727 0.030 2 721 63 63 LYS CA C 57.838 0.300 1 722 63 63 LYS CB C 32.101 0.300 1 723 64 64 LYS H H 8.157 0.030 1 724 64 64 LYS HA H 4.214 0.030 1 725 64 64 LYS HB2 H 1.754 0.030 1 726 64 64 LYS HB3 H 1.754 0.030 1 727 64 64 LYS HG2 H 1.422 0.030 2 728 64 64 LYS HD2 H 1.697 0.030 2 729 64 64 LYS HE2 H 3.011 0.030 2 730 64 64 LYS C C 177.219 0.300 1 731 64 64 LYS CA C 58.034 0.300 1 732 64 64 LYS CB C 33.121 0.300 1 733 64 64 LYS CG C 24.570 0.300 1 734 64 64 LYS CD C 28.928 0.300 1 735 64 64 LYS CE C 42.001 0.300 1 736 64 64 LYS N N 118.592 0.300 1 737 65 65 ASP H H 8.098 0.030 1 738 65 65 ASP HA H 4.727 0.030 1 739 65 65 ASP HB2 H 2.585 0.030 2 740 65 65 ASP HB3 H 2.419 0.030 2 741 65 65 ASP C C 175.620 0.300 1 742 65 65 ASP CA C 54.427 0.300 1 743 65 65 ASP CB C 42.464 0.300 1 744 65 65 ASP N N 116.125 0.300 1 745 66 66 GLY H H 7.748 0.030 1 746 66 66 GLY HA2 H 4.160 0.030 2 747 66 66 GLY HA3 H 3.779 0.030 2 748 66 66 GLY C C 173.390 0.300 1 749 66 66 GLY CA C 44.595 0.300 1 750 66 66 GLY N N 107.929 0.300 1 751 67 67 PHE H H 8.848 0.030 1 752 67 67 PHE HA H 4.367 0.030 1 753 67 67 PHE HB2 H 3.028 0.030 2 754 67 67 PHE HB3 H 2.987 0.030 2 755 67 67 PHE HD1 H 7.336 0.030 1 756 67 67 PHE HD2 H 7.336 0.030 1 757 67 67 PHE HE1 H 7.296 0.030 1 758 67 67 PHE HE2 H 7.296 0.030 1 759 67 67 PHE HZ H 7.322 0.030 1 760 67 67 PHE C C 174.578 0.300 1 761 67 67 PHE CA C 60.426 0.300 1 762 67 67 PHE CB C 39.306 0.300 1 763 67 67 PHE CD1 C 131.609 0.300 1 764 67 67 PHE CD2 C 131.609 0.300 1 765 67 67 PHE CE1 C 131.609 0.300 1 766 67 67 PHE CE2 C 131.609 0.300 1 767 67 67 PHE CZ C 130.192 0.300 1 768 67 67 PHE N N 122.990 0.300 1 769 68 68 CYS H H 7.329 0.030 1 770 68 68 CYS HA H 5.405 0.030 1 771 68 68 CYS HB2 H 3.046 0.030 2 772 68 68 CYS HB3 H 2.631 0.030 2 773 68 68 CYS C C 172.373 0.300 1 774 68 68 CYS CA C 55.853 0.300 1 775 68 68 CYS CB C 31.060 0.300 1 776 68 68 CYS N N 125.310 0.300 1 777 69 69 PHE H H 8.845 0.030 1 778 69 69 PHE HA H 5.056 0.030 1 779 69 69 PHE HB2 H 3.177 0.030 2 780 69 69 PHE HB3 H 2.975 0.030 2 781 69 69 PHE HD1 H 6.927 0.030 1 782 69 69 PHE HD2 H 6.927 0.030 1 783 69 69 PHE HE1 H 7.085 0.030 1 784 69 69 PHE HE2 H 7.085 0.030 1 785 69 69 PHE HZ H 6.867 0.030 1 786 69 69 PHE C C 171.355 0.300 1 787 69 69 PHE CA C 55.659 0.300 1 788 69 69 PHE CB C 41.567 0.300 1 789 69 69 PHE CD1 C 132.552 0.300 1 790 69 69 PHE CD2 C 132.552 0.300 1 791 69 69 PHE CE1 C 130.774 0.300 1 792 69 69 PHE CE2 C 130.774 0.300 1 793 69 69 PHE CZ C 128.887 0.300 1 794 69 69 PHE N N 117.018 0.300 1 795 70 70 LYS H H 9.377 0.030 1 796 70 70 LYS HA H 5.642 0.030 1 797 70 70 LYS HB2 H 1.355 0.030 2 798 70 70 LYS HB3 H 1.907 0.030 2 799 70 70 LYS HG2 H 1.496 0.030 2 800 70 70 LYS HD2 H 1.204 0.030 2 801 70 70 LYS HD3 H 1.306 0.030 2 802 70 70 LYS HE2 H 2.267 0.030 2 803 70 70 LYS HE3 H 2.107 0.030 2 804 70 70 LYS C C 174.760 0.300 1 805 70 70 LYS CA C 54.147 0.300 1 806 70 70 LYS CB C 37.251 0.300 1 807 70 70 LYS CG C 26.003 0.300 1 808 70 70 LYS CD C 29.933 0.300 1 809 70 70 LYS CE C 41.451 0.300 1 810 70 70 LYS N N 121.272 0.300 1 811 71 71 LEU H H 8.948 0.030 1 812 71 71 LEU HA H 5.535 0.030 1 813 71 71 LEU HB2 H 1.553 0.030 2 814 71 71 LEU HB3 H 1.667 0.030 2 815 71 71 LEU HG H 1.679 0.030 1 816 71 71 LEU HD1 H 0.857 0.030 1 817 71 71 LEU HD2 H 0.857 0.030 1 818 71 71 LEU C C 176.564 0.300 1 819 71 71 LEU CA C 53.285 0.300 1 820 71 71 LEU CB C 45.472 0.300 1 821 71 71 LEU CG C 27.596 0.300 1 822 71 71 LEU CD1 C 25.721 0.300 1 823 71 71 LEU CD2 C 25.721 0.300 1 824 71 71 LEU N N 129.329 0.300 1 825 72 72 PHE H H 9.164 0.030 1 826 72 72 PHE HA H 5.656 0.030 1 827 72 72 PHE HB2 H 2.978 0.030 2 828 72 72 PHE HB3 H 3.336 0.030 2 829 72 72 PHE HD1 H 6.958 0.030 1 830 72 72 PHE HD2 H 6.958 0.030 1 831 72 72 PHE HE1 H 7.169 0.030 1 832 72 72 PHE HE2 H 7.169 0.030 1 833 72 72 PHE HZ H 7.357 0.030 1 834 72 72 PHE C C 171.707 0.300 1 835 72 72 PHE CA C 56.029 0.300 1 836 72 72 PHE CB C 42.718 0.300 1 837 72 72 PHE CD1 C 132.374 0.300 1 838 72 72 PHE CD2 C 132.374 0.300 1 839 72 72 PHE CE1 C 130.855 0.300 1 840 72 72 PHE CE2 C 130.855 0.300 1 841 72 72 PHE CZ C 130.943 0.300 1 842 72 72 PHE N N 118.216 0.300 1 843 73 73 HIS H H 8.882 0.030 1 844 73 73 HIS HA H 4.945 0.030 1 845 73 73 HIS HB2 H 3.077 0.030 2 846 73 73 HIS HB3 H 3.333 0.030 2 847 73 73 HIS HD2 H 6.867 0.030 1 848 73 73 HIS HE1 H 7.587 0.030 1 849 73 73 HIS CA C 54.305 0.300 1 850 73 73 HIS CB C 33.272 0.300 1 851 73 73 HIS CD2 C 118.694 0.300 1 852 73 73 HIS CE1 C 138.778 0.300 1 853 73 73 HIS N N 122.628 0.300 1 854 74 74 PRO HA H 4.619 0.030 1 855 74 74 PRO HB2 H 2.381 0.030 2 856 74 74 PRO HB3 H 2.092 0.030 2 857 74 74 PRO HG2 H 1.887 0.030 2 858 74 74 PRO HG3 H 1.817 0.030 2 859 74 74 PRO HD2 H 3.617 0.030 2 860 74 74 PRO HD3 H 3.378 0.030 2 861 74 74 PRO C C 177.509 0.300 1 862 74 74 PRO CA C 65.020 0.300 1 863 74 74 PRO CB C 32.546 0.300 1 864 74 74 PRO CG C 27.366 0.300 1 865 74 74 PRO CD C 51.723 0.300 1 866 75 75 LEU H H 10.286 0.030 1 867 75 75 LEU HA H 4.860 0.030 1 868 75 75 LEU HB2 H 1.638 0.030 2 869 75 75 LEU HB3 H 1.914 0.030 2 870 75 75 LEU HG H 1.752 0.030 1 871 75 75 LEU HD1 H 0.924 0.030 1 872 75 75 LEU HD2 H 1.027 0.030 1 873 75 75 LEU C C 176.904 0.300 1 874 75 75 LEU CA C 53.531 0.300 1 875 75 75 LEU CB C 41.526 0.300 1 876 75 75 LEU CG C 27.301 0.300 1 877 75 75 LEU CD1 C 22.701 0.300 2 878 75 75 LEU CD2 C 25.453 0.300 2 879 75 75 LEU N N 120.260 0.300 1 880 76 76 GLU H H 8.587 0.030 1 881 76 76 GLU HA H 4.017 0.030 1 882 76 76 GLU HB2 H 2.450 0.030 2 883 76 76 GLU HB3 H 2.297 0.030 2 884 76 76 GLU HG2 H 2.237 0.030 2 885 76 76 GLU HG3 H 2.386 0.030 2 886 76 76 GLU C C 174.941 0.300 1 887 76 76 GLU CA C 58.357 0.300 1 888 76 76 GLU CB C 27.119 0.300 1 889 76 76 GLU CG C 37.387 0.300 1 890 76 76 GLU N N 112.889 0.300 1 891 77 77 GLN H H 5.977 0.030 1 892 77 77 GLN HA H 4.199 0.030 1 893 77 77 GLN HB2 H 1.805 0.030 2 894 77 77 GLN HB3 H 0.014 0.030 2 895 77 77 GLN HG2 H 1.991 0.030 1 896 77 77 GLN HG3 H 1.991 0.030 1 897 77 77 GLN HE21 H 6.878 0.030 2 898 77 77 GLN HE22 H 7.246 0.030 2 899 77 77 GLN C C 172.894 0.300 1 900 77 77 GLN CA C 53.865 0.300 1 901 77 77 GLN CB C 28.576 0.300 1 902 77 77 GLN CG C 34.308 0.300 1 903 77 77 GLN N N 116.333 0.300 1 904 77 77 GLN NE2 N 112.683 0.300 1 905 78 78 SER H H 7.804 0.030 1 906 78 78 SER HA H 4.535 0.030 1 907 78 78 SER HB2 H 3.887 0.030 2 908 78 78 SER HB3 H 3.998 0.030 2 909 78 78 SER C C 178.139 0.300 1 910 78 78 SER CA C 57.742 0.300 1 911 78 78 SER CB C 63.860 0.300 1 912 78 78 SER N N 108.870 0.300 1 913 79 79 ILE H H 7.954 0.030 1 914 79 79 ILE HA H 4.387 0.030 1 915 79 79 ILE HB H 1.885 0.030 1 916 79 79 ILE HG12 H -0.513 0.030 2 917 79 79 ILE HG13 H 0.597 0.030 2 918 79 79 ILE HG2 H 0.888 0.030 1 919 79 79 ILE HD1 H 0.049 0.030 1 920 79 79 ILE C C 173.657 0.300 1 921 79 79 ILE CA C 61.447 0.300 1 922 79 79 ILE CB C 37.186 0.300 1 923 79 79 ILE CG1 C 22.508 0.300 1 924 79 79 ILE CG2 C 20.048 0.300 1 925 79 79 ILE CD1 C 12.864 0.300 1 926 79 79 ILE N N 119.387 0.300 1 927 80 80 TRP H H 7.627 0.030 1 928 80 80 TRP HA H 5.268 0.030 1 929 80 80 TRP HB2 H 3.694 0.030 2 930 80 80 TRP HB3 H 2.729 0.030 2 931 80 80 TRP HD1 H 7.623 0.030 1 932 80 80 TRP HE1 H 10.676 0.030 1 933 80 80 TRP HE3 H 7.801 0.030 1 934 80 80 TRP HZ2 H 7.233 0.030 1 935 80 80 TRP HZ3 H 6.384 0.030 1 936 80 80 TRP HH2 H 6.657 0.030 1 937 80 80 TRP C C 178.248 0.300 1 938 80 80 TRP CA C 56.064 0.300 1 939 80 80 TRP CB C 31.453 0.300 1 940 80 80 TRP CD1 C 128.833 0.300 1 941 80 80 TRP CE3 C 121.488 0.300 1 942 80 80 TRP CZ2 C 114.100 0.300 1 943 80 80 TRP CZ3 C 120.032 0.300 1 944 80 80 TRP CH2 C 123.410 0.300 1 945 80 80 TRP N N 120.774 0.300 1 946 80 80 TRP NE1 N 130.791 0.300 1 947 81 81 ALA H H 9.336 0.030 1 948 81 81 ALA HA H 4.658 0.030 1 949 81 81 ALA HB H 1.757 0.030 1 950 81 81 ALA C C 179.339 0.300 1 951 81 81 ALA CA C 52.018 0.300 1 952 81 81 ALA CB C 20.541 0.300 1 953 81 81 ALA N N 126.176 0.300 1 954 82 82 VAL H H 8.598 0.030 1 955 82 82 VAL HA H 4.276 0.030 1 956 82 82 VAL HB H 2.377 0.030 1 957 82 82 VAL HG1 H 1.094 0.030 1 958 82 82 VAL HG2 H 1.075 0.030 1 959 82 82 VAL C C 175.389 0.300 1 960 82 82 VAL CA C 63.400 0.300 1 961 82 82 VAL CB C 32.070 0.300 1 962 82 82 VAL CG1 C 21.472 0.300 2 963 82 82 VAL CG2 C 20.099 0.300 2 964 82 82 VAL N N 116.099 0.300 1 965 83 83 LYS H H 7.545 0.030 1 966 83 83 LYS HA H 4.871 0.030 1 967 83 83 LYS HB2 H 1.659 0.030 1 968 83 83 LYS HB3 H 1.659 0.030 1 969 83 83 LYS HG2 H 1.399 0.030 1 970 83 83 LYS HG3 H 1.399 0.030 1 971 83 83 LYS HD2 H 1.598 0.030 1 972 83 83 LYS HD3 H 1.598 0.030 1 973 83 83 LYS HE2 H 2.957 0.030 1 974 83 83 LYS HE3 H 2.957 0.030 1 975 83 83 LYS C C 175.680 0.300 1 976 83 83 LYS CA C 54.445 0.300 1 977 83 83 LYS CB C 36.305 0.300 1 978 83 83 LYS CG C 24.488 0.300 1 979 83 83 LYS CD C 29.174 0.300 1 980 83 83 LYS CE C 42.166 0.300 1 981 83 83 LYS N N 118.247 0.300 1 982 84 84 GLY H H 8.701 0.030 1 983 84 84 GLY HA2 H 2.667 0.030 2 984 84 84 GLY HA3 H 2.037 0.030 2 985 84 84 GLY C C 173.633 0.300 1 986 84 84 GLY CA C 43.363 0.300 1 987 84 84 GLY N N 110.674 0.300 1 988 85 85 PRO HA H 4.161 0.030 1 989 85 85 PRO HB2 H 2.153 0.030 2 990 85 85 PRO HB3 H 1.886 0.030 2 991 85 85 PRO HG2 H 1.776 0.030 2 992 85 85 PRO HG3 H 1.917 0.030 2 993 85 85 PRO HD2 H 2.137 0.030 2 994 85 85 PRO HD3 H 2.088 0.030 2 995 85 85 PRO C C 178.382 0.300 1 996 85 85 PRO CA C 64.120 0.300 1 997 85 85 PRO CB C 31.885 0.300 1 998 85 85 PRO CG C 27.530 0.300 1 999 85 85 PRO CD C 48.041 0.300 1 1000 86 86 LYS H H 9.324 0.030 1 1001 86 86 LYS HA H 4.445 0.030 1 1002 86 86 LYS HB2 H 1.967 0.030 2 1003 86 86 LYS HB3 H 1.648 0.030 2 1004 86 86 LYS HG2 H 1.407 0.030 2 1005 86 86 LYS HG3 H 1.317 0.030 2 1006 86 86 LYS HD2 H 1.707 0.030 2 1007 86 86 LYS HE2 H 3.008 0.030 2 1008 86 86 LYS C C 176.940 0.300 1 1009 86 86 LYS CA C 54.956 0.300 1 1010 86 86 LYS CB C 31.577 0.300 1 1011 86 86 LYS CG C 25.146 0.300 1 1012 86 86 LYS CD C 29.092 0.300 1 1013 86 86 LYS CE C 42.248 0.300 1 1014 86 86 LYS N N 120.905 0.300 1 1015 87 87 GLY H H 7.837 0.030 1 1016 87 87 GLY HA2 H 3.357 0.030 2 1017 87 87 GLY HA3 H 4.077 0.030 2 1018 87 87 GLY C C 174.457 0.300 1 1019 87 87 GLY CA C 45.404 0.300 1 1020 87 87 GLY N N 108.887 0.300 1 1021 88 88 GLU H H 9.957 0.030 1 1022 88 88 GLU HA H 4.018 0.030 1 1023 88 88 GLU HB2 H 2.130 0.030 2 1024 88 88 GLU HB3 H 1.735 0.030 2 1025 88 88 GLU HG2 H 2.307 0.030 2 1026 88 88 GLU HG3 H 2.732 0.030 2 1027 88 88 GLU C C 176.492 0.300 1 1028 88 88 GLU CA C 58.497 0.300 1 1029 88 88 GLU CB C 29.832 0.300 1 1030 88 88 GLU CG C 36.739 0.300 1 1031 89 89 ALA H H 8.588 0.030 1 1032 89 89 ALA HA H 4.607 0.030 1 1033 89 89 ALA HB H 1.533 0.030 1 1034 89 89 ALA C C 177.982 0.300 1 1035 89 89 ALA CA C 52.281 0.300 1 1036 89 89 ALA CB C 19.919 0.300 1 1037 89 89 ALA N N 123.173 0.300 1 1038 90 90 VAL H H 8.017 0.030 1 1039 90 90 VAL HA H 4.378 0.030 1 1040 90 90 VAL HB H 2.137 0.030 1 1041 90 90 VAL HG1 H 1.049 0.030 1 1042 90 90 VAL HG2 H 1.026 0.030 1 1043 90 90 VAL C C 175.801 0.300 1 1044 90 90 VAL CA C 61.640 0.300 1 1045 90 90 VAL CB C 33.943 0.300 1 1046 90 90 VAL CG1 C 20.699 0.300 2 1047 90 90 VAL CG2 C 21.041 0.300 2 1048 90 90 VAL N N 116.899 0.300 1 1049 91 91 GLY H H 8.660 0.030 1 1050 91 91 GLY HA2 H 4.208 0.030 2 1051 91 91 GLY HA3 H 3.544 0.030 2 1052 91 91 GLY C C 173.887 0.300 1 1053 91 91 GLY CA C 44.735 0.300 1 1054 91 91 GLY N N 113.510 0.300 1 1055 92 92 SER H H 8.580 0.030 1 1056 92 92 SER HA H 4.396 0.030 1 1057 92 92 SER HB2 H 3.757 0.030 2 1058 92 92 SER HB3 H 3.718 0.030 2 1059 92 92 SER C C 174.517 0.300 1 1060 92 92 SER CA C 58.650 0.300 1 1061 92 92 SER CB C 63.790 0.300 1 1062 92 92 SER N N 116.105 0.300 1 1063 93 93 ILE H H 8.077 0.030 1 1064 93 93 ILE HA H 4.202 0.030 1 1065 93 93 ILE HB H 1.837 0.030 1 1066 93 93 ILE HG12 H 1.435 0.030 2 1067 93 93 ILE HG13 H 1.129 0.030 2 1068 93 93 ILE HG2 H 0.813 0.030 1 1069 93 93 ILE HD1 H 0.784 0.030 1 1070 93 93 ILE C C 176.140 0.300 1 1071 93 93 ILE CA C 61.359 0.300 1 1072 93 93 ILE CB C 38.995 0.300 1 1073 93 93 ILE CG1 C 27.415 0.300 1 1074 93 93 ILE CG2 C 17.581 0.300 1 1075 93 93 ILE CD1 C 13.137 0.300 1 1076 93 93 ILE N N 122.291 0.300 1 1077 94 94 THR H H 8.053 0.030 1 1078 94 94 THR HA H 4.346 0.030 1 1079 94 94 THR HB H 4.221 0.030 1 1080 94 94 THR HG2 H 1.138 0.030 1 1081 94 94 THR C C 174.347 0.300 1 1082 94 94 THR CA C 61.552 0.300 1 1083 94 94 THR CB C 70.291 0.300 1 1084 94 94 THR CG2 C 21.281 0.300 1 1085 94 94 THR N N 118.028 0.300 1 1086 95 95 GLN H H 7.986 0.030 1 1087 95 95 GLN HA H 4.528 0.030 1 1088 95 95 GLN HB2 H 1.868 0.030 2 1089 95 95 GLN HB3 H 1.977 0.030 2 1090 95 95 GLN HG2 H 2.207 0.030 2 1091 95 95 GLN HG3 H 2.297 0.030 2 1092 95 95 GLN HE21 H 7.353 0.030 2 1093 95 95 GLN HE22 H 6.718 0.030 2 1094 95 95 GLN C C 173.318 0.300 1 1095 95 95 GLN CA C 53.847 0.300 1 1096 95 95 GLN CB C 28.799 0.300 1 1097 95 95 GLN CG C 33.627 0.300 1 1098 95 95 GLN N N 121.951 0.300 1 1099 95 95 GLN NE2 N 111.962 0.300 1 1100 96 96 PRO HA H 4.191 0.030 1 1101 96 96 PRO HB2 H 2.126 0.030 2 1102 96 96 PRO HB3 H 1.877 0.030 2 1103 96 96 PRO HG2 H 1.927 0.030 2 1104 96 96 PRO HG3 H 2.017 0.030 2 1105 96 96 PRO HD2 H 3.717 0.030 2 1106 96 96 PRO HD3 H 3.557 0.030 2 1107 96 96 PRO C C 176.177 0.300 1 1108 96 96 PRO CA C 63.474 0.300 1 1109 96 96 PRO CB C 31.563 0.300 1 1110 96 96 PRO CG C 27.521 0.300 1 1111 96 96 PRO CD C 50.444 0.300 1 1112 97 97 LEU H H 8.210 0.030 1 1113 97 97 LEU HA H 4.792 0.030 1 1114 97 97 LEU HB2 H 1.307 0.030 2 1115 97 97 LEU HB3 H 1.358 0.030 2 1116 97 97 LEU HG H 1.618 0.030 1 1117 97 97 LEU HD1 H 0.689 0.030 1 1118 97 97 LEU HD2 H 0.577 0.030 1 1119 97 97 LEU CB C 41.861 0.300 1 1120 97 97 LEU CG C 26.541 0.300 1 1121 97 97 LEU CD1 C 22.869 0.300 2 1122 97 97 LEU CD2 C 25.107 0.300 2 1123 97 97 LEU N N 124.183 0.300 1 1124 98 98 PRO HA H 4.265 0.030 1 1125 98 98 PRO HB2 H 1.948 0.030 2 1126 98 98 PRO HB3 H 1.750 0.030 2 1127 98 98 PRO HG2 H 1.467 0.030 1 1128 98 98 PRO HG3 H 1.467 0.030 1 1129 98 98 PRO HD2 H 3.666 0.030 2 1130 98 98 PRO HD3 H 3.588 0.030 2 1131 98 98 PRO C C 176.855 0.300 1 1132 98 98 PRO CA C 62.225 0.300 1 1133 98 98 PRO CB C 31.811 0.300 1 1134 98 98 PRO CG C 28.351 0.300 1 1135 98 98 PRO CD C 50.631 0.300 1 1136 99 99 SER H H 8.389 0.030 1 1137 99 99 SER HA H 4.559 0.030 1 1138 99 99 SER HB2 H 4.073 0.030 2 1139 99 99 SER HB3 H 4.008 0.030 2 1140 99 99 SER CA C 61.031 0.300 1 1141 99 99 SER CB C 64.154 0.300 1 1142 99 99 SER N N 112.148 0.300 1 1143 100 100 SER H H 7.707 0.030 1 1144 100 100 SER HA H 5.267 0.030 1 1145 100 100 SER HB2 H 4.385 0.030 2 1146 100 100 SER HB3 H 3.517 0.030 2 1147 100 100 SER C C 173.439 0.300 1 1148 100 100 SER CA C 58.491 0.300 1 1149 100 100 SER CB C 66.750 0.300 1 1150 100 100 SER N N 108.512 0.300 1 1151 101 101 TYR H H 7.327 0.030 1 1152 101 101 TYR HA H 5.436 0.030 1 1153 101 101 TYR HB2 H 2.950 0.030 2 1154 101 101 TYR HB3 H 3.451 0.030 2 1155 101 101 TYR HD1 H 6.957 0.030 1 1156 101 101 TYR HD2 H 6.957 0.030 1 1157 101 101 TYR HE1 H 6.747 0.030 1 1158 101 101 TYR HE2 H 6.747 0.030 1 1159 101 101 TYR C C 170.653 0.300 1 1160 101 101 TYR CA C 56.805 0.300 1 1161 101 101 TYR CB C 40.621 0.300 1 1162 101 101 TYR CD1 C 133.541 0.300 1 1163 101 101 TYR CD2 C 133.541 0.300 1 1164 101 101 TYR CE1 C 118.058 0.300 1 1165 101 101 TYR CE2 C 118.058 0.300 1 1166 101 101 TYR N N 116.522 0.300 1 1167 102 102 LEU H H 8.969 0.030 1 1168 102 102 LEU HA H 4.657 0.030 1 1169 102 102 LEU HB2 H 1.396 0.030 1 1170 102 102 LEU HB3 H 1.396 0.030 1 1171 102 102 LEU HG H 1.457 0.030 1 1172 102 102 LEU HD1 H 0.877 0.030 1 1173 102 102 LEU HD2 H 0.999 0.030 1 1174 102 102 LEU C C 175.644 0.300 1 1175 102 102 LEU CA C 54.129 0.300 1 1176 102 102 LEU CB C 47.957 0.300 1 1177 102 102 LEU CG C 26.581 0.300 1 1178 102 102 LEU CD1 C 25.951 0.300 2 1179 102 102 LEU CD2 C 25.178 0.300 2 1180 102 102 LEU N N 114.393 0.300 1 1181 103 103 ILE H H 9.067 0.030 1 1182 103 103 ILE HA H 4.677 0.030 1 1183 103 103 ILE HB H 1.697 0.030 1 1184 103 103 ILE HG12 H 0.927 0.030 2 1185 103 103 ILE HG13 H 1.757 0.030 2 1186 103 103 ILE HG2 H 0.917 0.030 1 1187 103 103 ILE HD1 H 0.872 0.030 1 1188 103 103 ILE C C 174.093 0.300 1 1189 103 103 ILE CA C 61.130 0.300 1 1190 103 103 ILE CB C 38.281 0.300 1 1191 103 103 ILE CG1 C 28.561 0.300 1 1192 103 103 ILE CG2 C 18.429 0.300 1 1193 103 103 ILE CD1 C 13.131 0.300 1 1194 103 103 ILE N N 124.652 0.300 1 1195 104 104 ILE H H 8.635 0.030 1 1196 104 104 ILE HA H 4.837 0.030 1 1197 104 104 ILE HB H 0.328 0.030 1 1198 104 104 ILE HG12 H 1.337 0.030 2 1199 104 104 ILE HG13 H 0.687 0.030 2 1200 104 104 ILE HG2 H 0.428 0.030 1 1201 104 104 ILE HD1 H 0.588 0.030 1 1202 104 104 ILE C C 173.705 0.300 1 1203 104 104 ILE CA C 60.391 0.300 1 1204 104 104 ILE CB C 40.868 0.300 1 1205 104 104 ILE CG1 C 27.995 0.300 1 1206 104 104 ILE CG2 C 20.806 0.300 1 1207 104 104 ILE CD1 C 13.528 0.300 1 1208 104 104 ILE N N 127.025 0.300 1 1209 105 105 ARG H H 9.172 0.030 1 1210 105 105 ARG HA H 4.800 0.030 1 1211 105 105 ARG HB2 H 1.419 0.030 1 1212 105 105 ARG HB3 H 1.419 0.030 1 1213 105 105 ARG HG2 H 1.266 0.030 2 1214 105 105 ARG HG3 H 1.237 0.030 2 1215 105 105 ARG HD2 H 2.050 0.030 2 1216 105 105 ARG HD3 H 2.366 0.030 2 1217 105 105 ARG C C 174.784 0.300 1 1218 105 105 ARG CA C 54.745 0.300 1 1219 105 105 ARG CB C 34.126 0.300 1 1220 105 105 ARG CG C 26.546 0.300 1 1221 105 105 ARG CD C 43.646 0.300 1 1222 105 105 ARG N N 124.486 0.300 1 1223 106 106 ALA H H 8.778 0.030 1 1224 106 106 ALA HA H 4.871 0.030 1 1225 106 106 ALA HB H 1.647 0.030 1 1226 106 106 ALA C C 177.642 0.300 1 1227 106 106 ALA CA C 50.329 0.300 1 1228 106 106 ALA CB C 20.929 0.300 1 1229 106 106 ALA N N 127.402 0.300 1 1230 107 107 THR H H 9.039 0.030 1 1231 107 107 THR HA H 4.029 0.030 1 1232 107 107 THR HB H 4.407 0.030 1 1233 107 107 THR HG2 H 1.357 0.030 1 1234 107 107 THR C C 174.166 0.300 1 1235 107 107 THR CA C 65.334 0.300 1 1236 107 107 THR CB C 69.219 0.300 1 1237 107 107 THR CG2 C 22.346 0.300 1 1238 107 107 THR N N 114.073 0.300 1 1239 108 108 SER H H 7.802 0.030 1 1240 108 108 SER HA H 4.860 0.030 1 1241 108 108 SER HB2 H 4.245 0.030 2 1242 108 108 SER HB3 H 4.052 0.030 2 1243 108 108 SER C C 174.856 0.300 1 1244 108 108 SER CA C 56.539 0.300 1 1245 108 108 SER CB C 66.599 0.300 1 1246 108 108 SER N N 112.117 0.300 1 1247 109 109 GLU H H 9.318 0.030 1 1248 109 109 GLU HA H 3.876 0.030 1 1249 109 109 GLU HB2 H 2.026 0.030 2 1250 109 109 GLU HB3 H 2.163 0.030 2 1251 109 109 GLU HG2 H 2.066 0.030 2 1252 109 109 GLU HG3 H 1.961 0.030 2 1253 109 109 GLU C C 177.716 0.300 1 1254 109 109 GLU CA C 59.881 0.300 1 1255 109 109 GLU CB C 28.863 0.300 1 1256 109 109 GLU CG C 35.999 0.300 1 1257 109 109 GLU N N 123.941 0.300 1 1258 110 110 SER H H 8.538 0.030 1 1259 110 110 SER HA H 4.091 0.030 1 1260 110 110 SER HB2 H 3.882 0.030 1 1261 110 110 SER HB3 H 3.882 0.030 1 1262 110 110 SER CA C 61.611 0.300 1 1263 110 110 SER CB C 62.270 0.300 1 1264 110 110 SER N N 114.255 0.300 1 1265 111 111 ASP H H 7.987 0.030 1 1266 111 111 ASP HA H 4.596 0.030 1 1267 111 111 ASP HB2 H 2.914 0.030 2 1268 111 111 ASP HB3 H 2.797 0.030 2 1269 111 111 ASP C C 178.648 0.300 1 1270 111 111 ASP CA C 57.260 0.300 1 1271 111 111 ASP CB C 41.179 0.300 1 1272 111 111 ASP N N 121.820 0.300 1 1273 112 112 GLY H H 8.557 0.030 1 1274 112 112 GLY HA2 H 4.017 0.030 2 1275 112 112 GLY HA3 H 3.867 0.030 2 1276 112 112 GLY C C 175.075 0.300 1 1277 112 112 GLY CA C 48.289 0.300 1 1278 112 112 GLY N N 108.850 0.300 1 1279 113 113 ARG H H 8.436 0.030 1 1280 113 113 ARG HA H 3.896 0.030 1 1281 113 113 ARG HB2 H 1.827 0.030 2 1282 113 113 ARG HB3 H 1.756 0.030 2 1283 113 113 ARG HG2 H 1.432 0.030 2 1284 113 113 ARG HD2 H 3.018 0.030 2 1285 113 113 ARG HD3 H 3.135 0.030 2 1286 113 113 ARG HE H 7.505 0.030 1 1287 113 113 ARG C C 178.030 0.300 1 1288 113 113 ARG CA C 59.459 0.300 1 1289 113 113 ARG CB C 28.946 0.300 1 1290 113 113 ARG CG C 27.995 0.300 1 1291 113 113 ARG CD C 42.659 0.300 1 1292 113 113 ARG N N 121.628 0.300 1 1293 113 113 ARG NE N 84.933 0.300 1 1294 114 114 CYS H H 7.689 0.030 1 1295 114 114 CYS HA H 4.154 0.030 1 1296 114 114 CYS HB2 H 3.168 0.030 2 1297 114 114 CYS HB3 H 2.971 0.030 2 1298 114 114 CYS C C 178.551 0.300 1 1299 114 114 CYS CA C 62.924 0.300 1 1300 114 114 CYS CB C 26.172 0.300 1 1301 114 114 CYS N N 118.818 0.300 1 1302 115 115 TRP H H 8.320 0.030 1 1303 115 115 TRP HA H 4.017 0.030 1 1304 115 115 TRP HB2 H 3.428 0.030 2 1305 115 115 TRP HB3 H 3.117 0.030 2 1306 115 115 TRP HD1 H 7.317 0.030 1 1307 115 115 TRP HE1 H 10.400 0.030 1 1308 115 115 TRP HE3 H 7.330 0.030 1 1309 115 115 TRP HZ2 H 6.990 0.030 1 1310 115 115 TRP HZ3 H 6.731 0.030 1 1311 115 115 TRP HH2 H 6.736 0.030 1 1312 115 115 TRP C C 178.151 0.300 1 1313 115 115 TRP CA C 62.256 0.300 1 1314 115 115 TRP CB C 29.234 0.300 1 1315 115 115 TRP CD1 C 126.466 0.300 1 1316 115 115 TRP CE3 C 119.208 0.300 1 1317 115 115 TRP CZ2 C 113.990 0.300 1 1318 115 115 TRP CZ3 C 121.350 0.300 1 1319 115 115 TRP CH2 C 123.767 0.300 1 1320 115 115 TRP N N 120.938 0.300 1 1321 115 115 TRP NE1 N 129.562 0.300 1 1322 116 116 MET H H 8.499 0.030 1 1323 116 116 MET HA H 3.457 0.030 1 1324 116 116 MET HB2 H 2.147 0.030 2 1325 116 116 MET HB3 H 1.869 0.030 2 1326 116 116 MET HG2 H 1.797 0.030 2 1327 116 116 MET HE H 2.073 0.030 1 1328 116 116 MET C C 177.800 0.300 1 1329 116 116 MET CA C 60.356 0.300 1 1330 116 116 MET CB C 32.631 0.300 1 1331 116 116 MET CG C 32.471 0.300 1 1332 116 116 MET CE C 17.297 0.300 1 1333 116 116 MET N N 118.588 0.300 1 1334 117 117 ASP H H 8.208 0.030 1 1335 117 117 ASP HA H 4.311 0.030 1 1336 117 117 ASP HB2 H 2.576 0.030 2 1337 117 117 ASP HB3 H 2.711 0.030 2 1338 117 117 ASP C C 178.769 0.300 1 1339 117 117 ASP CA C 57.263 0.300 1 1340 117 117 ASP CB C 40.309 0.300 1 1341 117 117 ASP N N 118.538 0.300 1 1342 118 118 ALA H H 7.765 0.030 1 1343 118 118 ALA HA H 4.025 0.030 1 1344 118 118 ALA HB H 1.186 0.030 1 1345 118 118 ALA C C 180.829 0.300 1 1346 118 118 ALA CA C 54.903 0.300 1 1347 118 118 ALA CB C 18.650 0.300 1 1348 118 118 ALA N N 122.525 0.300 1 1349 119 119 LEU H H 9.008 0.030 1 1350 119 119 LEU HA H 3.885 0.030 1 1351 119 119 LEU HB2 H 2.107 0.030 2 1352 119 119 LEU HB3 H 1.183 0.030 2 1353 119 119 LEU HG H 2.027 0.030 1 1354 119 119 LEU HD1 H 1.029 0.030 1 1355 119 119 LEU HD2 H 1.056 0.030 1 1356 119 119 LEU C C 177.994 0.300 1 1357 119 119 LEU CA C 58.632 0.300 1 1358 119 119 LEU CB C 42.485 0.300 1 1359 119 119 LEU CG C 28.021 0.300 1 1360 119 119 LEU CD1 C 27.612 0.300 2 1361 119 119 LEU CD2 C 26.270 0.300 2 1362 119 119 LEU N N 120.854 0.300 1 1363 120 120 GLU H H 8.256 0.030 1 1364 120 120 GLU HA H 3.877 0.030 1 1365 120 120 GLU HB2 H 2.184 0.030 2 1366 120 120 GLU HB3 H 2.070 0.030 2 1367 120 120 GLU HG2 H 2.250 0.030 2 1368 120 120 GLU HG3 H 2.425 0.030 2 1369 120 120 GLU C C 179.133 0.300 1 1370 120 120 GLU CA C 59.951 0.300 1 1371 120 120 GLU CB C 29.111 0.300 1 1372 120 120 GLU CG C 36.246 0.300 1 1373 120 120 GLU N N 117.649 0.300 1 1374 121 121 LEU H H 7.379 0.030 1 1375 121 121 LEU HA H 4.138 0.030 1 1376 121 121 LEU HB2 H 1.677 0.030 2 1377 121 121 LEU HB3 H 1.785 0.030 2 1378 121 121 LEU HG H 1.685 0.030 1 1379 121 121 LEU HD1 H 0.869 0.030 1 1380 121 121 LEU HD2 H 0.894 0.030 1 1381 121 121 LEU C C 179.714 0.300 1 1382 121 121 LEU CA C 57.471 0.300 1 1383 121 121 LEU CB C 41.896 0.300 1 1384 121 121 LEU CG C 26.936 0.300 1 1385 121 121 LEU CD1 C 23.920 0.300 2 1386 121 121 LEU CD2 C 24.630 0.300 2 1387 121 121 LEU N N 118.080 0.300 1 1388 122 122 ALA H H 8.207 0.030 1 1389 122 122 ALA HA H 4.217 0.030 1 1390 122 122 ALA HB H 1.496 0.030 1 1391 122 122 ALA C C 179.363 0.300 1 1392 122 122 ALA CA C 54.112 0.300 1 1393 122 122 ALA CB C 19.572 0.300 1 1394 122 122 ALA N N 122.556 0.300 1 1395 123 123 LEU H H 8.121 0.030 1 1396 123 123 LEU HA H 3.971 0.030 1 1397 123 123 LEU HB2 H 1.847 0.030 2 1398 123 123 LEU HB3 H 1.637 0.030 2 1399 123 123 LEU HG H 2.078 0.030 1 1400 123 123 LEU HD1 H 0.722 0.030 1 1401 123 123 LEU HD2 H 0.807 0.030 1 1402 123 123 LEU C C 178.272 0.300 1 1403 123 123 LEU CA C 57.506 0.300 1 1404 123 123 LEU CB C 42.266 0.300 1 1405 123 123 LEU CG C 26.543 0.300 1 1406 123 123 LEU CD1 C 25.005 0.300 2 1407 123 123 LEU CD2 C 25.401 0.300 2 1408 123 123 LEU N N 118.406 0.300 1 1409 124 124 LYS H H 7.542 0.030 1 1410 124 124 LYS HA H 4.378 0.030 1 1411 124 124 LYS HB2 H 2.007 0.030 2 1412 124 124 LYS HB3 H 1.865 0.030 2 1413 124 124 LYS HG2 H 1.512 0.030 2 1414 124 124 LYS HG3 H 1.597 0.030 2 1415 124 124 LYS HD2 H 1.687 0.030 2 1416 124 124 LYS HE2 H 3.015 0.030 1 1417 124 124 LYS HE3 H 3.015 0.030 1 1418 124 124 LYS C C 177.013 0.300 1 1419 124 124 LYS CA C 56.240 0.300 1 1420 124 124 LYS CB C 32.851 0.300 1 1421 124 124 LYS CG C 24.899 0.300 1 1422 124 124 LYS CD C 29.092 0.300 1 1423 124 124 LYS CE C 42.330 0.300 1 1424 124 124 LYS N N 116.400 0.300 1 1425 125 125 SER H H 7.658 0.030 1 1426 125 125 SER HA H 4.528 0.030 1 1427 125 125 SER HB2 H 3.894 0.030 1 1428 125 125 SER HB3 H 3.894 0.030 1 1429 125 125 SER C C 174.323 0.300 1 1430 125 125 SER CA C 58.526 0.300 1 1431 125 125 SER CB C 64.502 0.300 1 1432 125 125 SER N N 114.777 0.300 1 1433 126 126 GLY H H 8.177 0.030 1 1434 126 126 GLY HA2 H 3.987 0.030 2 1435 126 126 GLY HA3 H 4.217 0.030 2 1436 126 126 GLY C C 171.719 0.300 1 1437 126 126 GLY CA C 44.731 0.300 1 1438 126 126 GLY N N 109.860 0.300 1 1439 127 127 PRO HA H 4.527 0.030 1 1440 127 127 PRO HB2 H 2.290 0.030 2 1441 127 127 PRO HB3 H 1.997 0.030 2 1442 127 127 PRO HG2 H 2.037 0.030 1 1443 127 127 PRO HG3 H 2.037 0.030 1 1444 127 127 PRO HD2 H 3.666 0.030 1 1445 127 127 PRO HD3 H 3.666 0.030 1 1446 127 127 PRO C C 177.461 0.300 1 1447 127 127 PRO CA C 63.297 0.300 1 1448 127 127 PRO CB C 32.217 0.300 1 1449 127 127 PRO CG C 27.301 0.300 1 1450 127 127 PRO CD C 49.894 0.300 1 1451 128 128 SER H H 8.507 0.030 1 1452 128 128 SER HA H 4.520 0.030 1 1453 128 128 SER HB2 H 3.918 0.030 1 1454 128 128 SER HB3 H 3.918 0.030 1 1455 128 128 SER C C 174.650 0.300 1 1456 128 128 SER N N 116.509 0.300 1 1457 129 129 SER H H 8.327 0.030 1 1458 129 129 SER HA H 4.507 0.030 1 1459 129 129 SER C C 173.924 0.300 1 1460 129 129 SER CA C 58.413 0.300 1 1461 129 129 SER N N 117.792 0.300 1 1462 130 130 GLY H H 8.048 0.030 1 1463 130 130 GLY HA2 H 3.767 0.030 2 1464 130 130 GLY HA3 H 3.817 0.030 2 1465 130 130 GLY CA C 46.271 0.300 1 1466 130 130 GLY N N 116.788 0.300 1 stop_ save_