data_10141 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the alpha adaptinC2 domain from human Adapter-related protein complex 1 gamma 2 subunit ; _BMRB_accession_number 10141 _BMRB_flat_file_name bmr10141.str _Entry_type new _Submission_date 2007-12-04 _Accession_date 2007-12-05 _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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" 767 "13C chemical shifts" 583 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-10 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the alpha adaptinC2 domain from human Adapter-related protein complex 1 gamma 2 subunit ; _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'AP-1 complex subunit gamma-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AP-1 complex subunit gamma-2' $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 'alpha adaptinC2 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GSSGSSGPPPAPIPDLKVFE REGVQLNLSFIRPPENPALL LITITATNFSEGDVTHFICQ AAVPKSLQLQLQAPSGNTVP ARGGLPITQLFRILNPNKAP LRLKLRLTYDHFHQSVQEIF EVNNLPVESWQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 PRO 10 PRO 11 ALA 12 PRO 13 ILE 14 PRO 15 ASP 16 LEU 17 LYS 18 VAL 19 PHE 20 GLU 21 ARG 22 GLU 23 GLY 24 VAL 25 GLN 26 LEU 27 ASN 28 LEU 29 SER 30 PHE 31 ILE 32 ARG 33 PRO 34 PRO 35 GLU 36 ASN 37 PRO 38 ALA 39 LEU 40 LEU 41 LEU 42 ILE 43 THR 44 ILE 45 THR 46 ALA 47 THR 48 ASN 49 PHE 50 SER 51 GLU 52 GLY 53 ASP 54 VAL 55 THR 56 HIS 57 PHE 58 ILE 59 CYS 60 GLN 61 ALA 62 ALA 63 VAL 64 PRO 65 LYS 66 SER 67 LEU 68 GLN 69 LEU 70 GLN 71 LEU 72 GLN 73 ALA 74 PRO 75 SER 76 GLY 77 ASN 78 THR 79 VAL 80 PRO 81 ALA 82 ARG 83 GLY 84 GLY 85 LEU 86 PRO 87 ILE 88 THR 89 GLN 90 LEU 91 PHE 92 ARG 93 ILE 94 LEU 95 ASN 96 PRO 97 ASN 98 LYS 99 ALA 100 PRO 101 LEU 102 ARG 103 LEU 104 LYS 105 LEU 106 ARG 107 LEU 108 THR 109 TYR 110 ASP 111 HIS 112 PHE 113 HIS 114 GLN 115 SER 116 VAL 117 GLN 118 GLU 119 ILE 120 PHE 121 GLU 122 VAL 123 ASN 124 ASN 125 LEU 126 PRO 127 VAL 128 GLU 129 SER 130 TRP 131 GLN 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 2E9G "Solution Structure Of The Alpha Adaptinc2 Domain From Human Adapter-Related Protein Complex 1 Gamma 2 Subunit" 100.00 131 100.00 100.00 5.66e-88 PDB 2YMT "Gamma 2 Adaptin Ear Domain Crystal Structure With Phage Peptide Geewgpwv" 92.37 124 100.00 100.00 1.84e-80 PDB 3ZHF "Gamma 2 Adaptin Ear Domain Crystal Structure With Pres1 Site1 Peptide Npdwdfn" 92.37 124 100.00 100.00 1.84e-80 PDB 4BCX "Gamma 2 Adaptin Ear Domain Crystal Structure" 92.37 124 100.00 100.00 1.84e-80 DBJ BAA33390 "gamma2-adaptin [Homo sapiens]" 94.66 785 100.00 100.00 1.34e-78 DBJ BAG65453 "unnamed protein product [Homo sapiens]" 94.66 554 100.00 100.00 2.27e-80 EMBL CAD61898 "unnamed protein product [Homo sapiens]" 94.66 404 100.00 100.00 5.39e-81 GB AAH51833 "AP1G2 protein [Homo sapiens]" 94.66 640 100.00 100.00 4.08e-79 GB AIC59448 "AP1G2, partial [synthetic construct]" 94.66 640 100.00 100.00 4.08e-79 GB EAW66132 "hCG2014408, isoform CRA_a [Homo sapiens]" 94.66 785 100.00 100.00 1.34e-78 GB EAW66134 "hCG2014408, isoform CRA_a [Homo sapiens]" 94.66 785 100.00 100.00 1.34e-78 GB EAW66138 "hCG2014408, isoform CRA_a [Homo sapiens]" 94.66 785 100.00 100.00 1.34e-78 REF NP_001269403 "AP-1 complex subunit gamma-like 2 isoform 2 [Homo sapiens]" 94.66 404 100.00 100.00 5.39e-81 REF NP_001269404 "AP-1 complex subunit gamma-like 2 isoform 3 [Homo sapiens]" 94.66 713 100.00 100.00 1.92e-78 REF NP_003908 "AP-1 complex subunit gamma-like 2 isoform 1 [Homo sapiens]" 94.66 785 100.00 100.00 1.34e-78 REF XP_001163757 "PREDICTED: AP-1 complex subunit gamma-like 2 isoform X5 [Pan troglodytes]" 94.66 785 99.19 100.00 2.40e-78 REF XP_002833830 "PREDICTED: AP-1 complex subunit gamma-like 2 isoform X2 [Pongo abelii]" 94.66 785 97.58 99.19 1.57e-76 SP O75843 "RecName: Full=AP-1 complex subunit gamma-like 2; AltName: Full=Gamma2-adaptin; Short=G2ad" 94.66 785 100.00 100.00 1.34e-78 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 P060123-24 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 0.54 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name topspin _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060524 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 0.9747 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address '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 II' _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'AP-1 complex subunit gamma-2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER CA C 58.371 0.300 1 2 6 6 SER HA H 4.533 0.030 1 3 6 6 SER CB C 63.994 0.300 1 4 6 6 SER HB3 H 3.892 0.030 1 5 6 6 SER C C 174.472 0.300 1 6 6 6 SER HB2 H 3.892 0.030 1 7 7 7 GLY N N 110.741 0.300 1 8 7 7 GLY H H 8.209 0.030 1 9 7 7 GLY CA C 44.501 0.300 1 10 7 7 GLY HA3 H 4.059 0.030 2 11 7 7 GLY C C 171.084 0.300 1 12 7 7 GLY HA2 H 4.155 0.030 2 13 8 8 PRO CA C 61.515 0.300 1 14 8 8 PRO HA H 4.713 0.030 1 15 8 8 PRO CB C 30.760 0.300 1 16 8 8 PRO HB3 H 1.918 0.030 2 17 8 8 PRO CG C 27.227 0.300 1 18 8 8 PRO HG3 H 2.018 0.030 1 19 8 8 PRO CD C 49.700 0.300 1 20 8 8 PRO HD3 H 3.601 0.030 1 21 8 8 PRO HB2 H 2.316 0.030 2 22 8 8 PRO HD2 H 3.601 0.030 1 23 8 8 PRO HG2 H 2.018 0.030 1 24 9 9 PRO HA H 4.724 0.030 1 25 9 9 PRO CG C 26.888 0.300 1 26 9 9 PRO CD C 49.904 0.300 1 27 9 9 PRO HB2 H 1.959 0.030 2 28 9 9 PRO HD2 H 3.803 0.030 2 29 9 9 PRO HG2 H 2.330 0.030 2 30 10 10 PRO CA C 62.761 0.300 1 31 10 10 PRO HA H 4.389 0.030 1 32 10 10 PRO CB C 32.082 0.300 1 33 10 10 PRO HB3 H 2.279 0.030 2 34 10 10 PRO CG C 26.904 0.300 1 35 10 10 PRO CD C 50.400 0.300 1 36 10 10 PRO HD3 H 3.802 0.030 2 37 10 10 PRO C C 176.236 0.300 1 38 10 10 PRO HB2 H 1.900 0.030 2 39 10 10 PRO HD2 H 3.622 0.030 2 40 10 10 PRO HG2 H 2.017 0.030 2 41 11 11 ALA N N 125.926 0.300 1 42 11 11 ALA H H 8.352 0.030 1 43 11 11 ALA CA C 50.343 0.300 1 44 11 11 ALA HA H 4.583 0.030 1 45 11 11 ALA CB C 18.255 0.300 1 46 11 11 ALA HB H 1.353 0.030 1 47 11 11 ALA C C 175.479 0.300 1 48 12 12 PRO CA C 62.757 0.300 1 49 12 12 PRO HA H 4.386 0.030 1 50 12 12 PRO CB C 32.104 0.300 1 51 12 12 PRO HB3 H 2.301 0.030 2 52 12 12 PRO CG C 27.292 0.300 1 53 12 12 PRO CD C 50.409 0.300 1 54 12 12 PRO HD3 H 3.799 0.030 2 55 12 12 PRO C C 176.478 0.300 1 56 12 12 PRO HB2 H 1.852 0.030 2 57 12 12 PRO HD2 H 3.640 0.030 2 58 12 12 PRO HG2 H 2.016 0.030 2 59 13 13 ILE N N 124.607 0.300 1 60 13 13 ILE H H 8.661 0.030 1 61 13 13 ILE CA C 59.081 0.300 1 62 13 13 ILE HA H 4.288 0.030 1 63 13 13 ILE CB C 39.710 0.300 1 64 13 13 ILE HB H 1.831 0.030 1 65 13 13 ILE CG1 C 27.624 0.300 1 66 13 13 ILE HG13 H 0.705 0.030 2 67 13 13 ILE CG2 C 17.882 0.300 1 68 13 13 ILE HG2 H 0.721 0.030 1 69 13 13 ILE CD1 C 13.849 0.300 1 70 13 13 ILE HD1 H 0.567 0.030 1 71 13 13 ILE C C 174.727 0.300 1 72 13 13 ILE HG12 H 1.789 0.030 2 73 14 14 PRO CA C 63.433 0.300 1 74 14 14 PRO HA H 4.457 0.030 1 75 14 14 PRO CB C 32.428 0.300 1 76 14 14 PRO HB3 H 2.357 0.030 2 77 14 14 PRO CG C 27.457 0.300 1 78 14 14 PRO CD C 51.361 0.300 1 79 14 14 PRO HD3 H 3.851 0.030 2 80 14 14 PRO C C 175.380 0.300 1 81 14 14 PRO HB2 H 2.026 0.030 2 82 14 14 PRO HD2 H 3.553 0.030 2 83 14 14 PRO HG2 H 2.033 0.030 2 84 15 15 ASP N N 118.741 0.300 1 85 15 15 ASP H H 8.042 0.030 1 86 15 15 ASP CA C 54.213 0.300 1 87 15 15 ASP HA H 5.064 0.030 1 88 15 15 ASP CB C 41.793 0.300 1 89 15 15 ASP HB3 H 2.835 0.030 2 90 15 15 ASP C C 176.413 0.300 1 91 15 15 ASP HB2 H 2.578 0.030 2 92 16 16 LEU N N 121.451 0.300 1 93 16 16 LEU H H 9.016 0.030 1 94 16 16 LEU CA C 53.914 0.300 1 95 16 16 LEU HA H 4.847 0.030 1 96 16 16 LEU CB C 48.283 0.300 1 97 16 16 LEU HB3 H 1.591 0.030 2 98 16 16 LEU CG C 26.989 0.300 1 99 16 16 LEU HG H 1.462 0.030 1 100 16 16 LEU CD1 C 27.065 0.300 2 101 16 16 LEU HD1 H 0.944 0.030 1 102 16 16 LEU CD2 C 23.317 0.300 2 103 16 16 LEU HD2 H 1.073 0.030 1 104 16 16 LEU C C 174.915 0.300 1 105 16 16 LEU HB2 H 1.941 0.030 2 106 17 17 LYS N N 130.346 0.300 1 107 17 17 LYS H H 8.937 0.030 1 108 17 17 LYS CA C 57.027 0.300 1 109 17 17 LYS HA H 4.821 0.030 1 110 17 17 LYS CB C 31.991 0.300 1 111 17 17 LYS HB3 H 1.818 0.030 1 112 17 17 LYS CG C 24.809 0.300 1 113 17 17 LYS HG3 H 1.513 0.030 2 114 17 17 LYS CD C 29.568 0.300 1 115 17 17 LYS HD3 H 1.647 0.030 1 116 17 17 LYS CE C 41.819 0.300 1 117 17 17 LYS HE3 H 2.907 0.030 2 118 17 17 LYS C C 177.744 0.300 1 119 17 17 LYS HB2 H 1.818 0.030 1 120 17 17 LYS HD2 H 1.647 0.030 1 121 17 17 LYS HE2 H 2.818 0.030 2 122 17 17 LYS HG2 H 1.209 0.030 2 123 18 18 VAL N N 116.605 0.300 1 124 18 18 VAL H H 8.228 0.030 1 125 18 18 VAL CA C 60.586 0.300 1 126 18 18 VAL HA H 4.807 0.030 1 127 18 18 VAL CB C 33.601 0.300 1 128 18 18 VAL HB H 2.676 0.030 1 129 18 18 VAL CG1 C 23.210 0.300 2 130 18 18 VAL HG1 H 1.082 0.030 1 131 18 18 VAL CG2 C 19.361 0.300 2 132 18 18 VAL HG2 H 0.885 0.030 1 133 18 18 VAL C C 174.118 0.300 1 134 19 19 PHE N N 120.586 0.300 1 135 19 19 PHE H H 7.429 0.030 1 136 19 19 PHE CA C 57.947 0.300 1 137 19 19 PHE HA H 4.544 0.030 1 138 19 19 PHE CB C 43.455 0.300 1 139 19 19 PHE HB3 H 2.575 0.030 2 140 19 19 PHE CD1 C 131.686 0.300 1 141 19 19 PHE HD1 H 6.759 0.030 1 142 19 19 PHE CD2 C 131.686 0.300 1 143 19 19 PHE HD2 H 6.759 0.030 1 144 19 19 PHE CE1 C 131.404 0.300 1 145 19 19 PHE HE1 H 7.299 0.030 1 146 19 19 PHE CE2 C 131.404 0.300 1 147 19 19 PHE HE2 H 7.299 0.030 1 148 19 19 PHE C C 172.947 0.300 1 149 19 19 PHE HB2 H 3.088 0.030 2 150 20 20 GLU N N 126.790 0.300 1 151 20 20 GLU H H 7.620 0.030 1 152 20 20 GLU CA C 55.117 0.300 1 153 20 20 GLU HA H 5.059 0.030 1 154 20 20 GLU CB C 32.091 0.300 1 155 20 20 GLU HB3 H 1.815 0.030 2 156 20 20 GLU CG C 35.805 0.300 1 157 20 20 GLU HG3 H 2.003 0.030 1 158 20 20 GLU C C 174.073 0.300 1 159 20 20 GLU HB2 H 1.716 0.030 2 160 20 20 GLU HG2 H 2.003 0.030 1 161 21 21 ARG N N 125.153 0.300 1 162 21 21 ARG H H 8.806 0.030 1 163 21 21 ARG CA C 56.532 0.300 1 164 21 21 ARG HA H 4.234 0.030 1 165 21 21 ARG CB C 33.707 0.300 1 166 21 21 ARG HB3 H 1.582 0.030 2 167 21 21 ARG CG C 27.477 0.300 1 168 21 21 ARG HG3 H 1.413 0.030 2 169 21 21 ARG CD C 43.504 0.300 1 170 21 21 ARG HD3 H 3.385 0.030 1 171 21 21 ARG C C 176.293 0.300 1 172 21 21 ARG HB2 H 1.401 0.030 2 173 21 21 ARG HD2 H 3.385 0.030 1 174 21 21 ARG HG2 H 1.661 0.030 2 175 22 22 GLU N N 132.286 0.300 1 176 22 22 GLU H H 9.887 0.030 1 177 22 22 GLU CA C 57.271 0.300 1 178 22 22 GLU HA H 3.968 0.030 1 179 22 22 GLU CB C 28.595 0.300 1 180 22 22 GLU HB3 H 2.594 0.030 2 181 22 22 GLU CG C 36.335 0.300 1 182 22 22 GLU HG3 H 2.406 0.030 2 183 22 22 GLU C C 175.219 0.300 1 184 22 22 GLU HB2 H 2.118 0.030 2 185 22 22 GLU HG2 H 2.295 0.030 2 186 23 23 GLY N N 103.445 0.300 1 187 23 23 GLY H H 8.570 0.030 1 188 23 23 GLY CA C 45.698 0.300 1 189 23 23 GLY HA3 H 4.242 0.030 2 190 23 23 GLY C C 173.517 0.300 1 191 23 23 GLY HA2 H 3.658 0.030 2 192 24 24 VAL N N 124.489 0.300 1 193 24 24 VAL H H 8.016 0.030 1 194 24 24 VAL CA C 61.341 0.300 1 195 24 24 VAL HA H 4.780 0.030 1 196 24 24 VAL CB C 32.051 0.300 1 197 24 24 VAL HB H 2.320 0.030 1 198 24 24 VAL CG1 C 19.072 0.300 2 199 24 24 VAL HG1 H 0.607 0.030 1 200 24 24 VAL CG2 C 23.381 0.300 2 201 24 24 VAL HG2 H 0.468 0.030 1 202 24 24 VAL C C 175.459 0.300 1 203 25 25 GLN N N 123.296 0.300 1 204 25 25 GLN H H 8.446 0.030 1 205 25 25 GLN CA C 53.879 0.300 1 206 25 25 GLN HA H 5.378 0.030 1 207 25 25 GLN CB C 33.065 0.300 1 208 25 25 GLN HB3 H 1.962 0.030 1 209 25 25 GLN CG C 34.143 0.300 1 210 25 25 GLN HG3 H 2.289 0.030 2 211 25 25 GLN NE2 N 111.281 0.300 1 212 25 25 GLN HE21 H 7.574 0.030 2 213 25 25 GLN HE22 H 6.740 0.030 2 214 25 25 GLN C C 174.348 0.300 1 215 25 25 GLN HB2 H 1.962 0.030 1 216 25 25 GLN HG2 H 2.188 0.030 2 217 26 26 LEU N N 120.847 0.300 1 218 26 26 LEU H H 8.579 0.030 1 219 26 26 LEU CA C 53.914 0.300 1 220 26 26 LEU HA H 5.400 0.030 1 221 26 26 LEU CB C 47.336 0.300 1 222 26 26 LEU HB3 H 1.925 0.030 2 223 26 26 LEU CG C 28.262 0.300 1 224 26 26 LEU HG H 1.545 0.030 1 225 26 26 LEU CD1 C 25.181 0.300 2 226 26 26 LEU HD1 H 1.008 0.030 1 227 26 26 LEU CD2 C 26.318 0.300 2 228 26 26 LEU HD2 H 0.932 0.030 1 229 26 26 LEU C C 174.842 0.300 1 230 26 26 LEU HB2 H 1.403 0.030 2 231 27 27 ASN N N 124.346 0.300 1 232 27 27 ASN H H 8.738 0.030 1 233 27 27 ASN CA C 52.063 0.300 1 234 27 27 ASN HA H 5.542 0.030 1 235 27 27 ASN CB C 43.866 0.300 1 236 27 27 ASN HB3 H 2.509 0.030 1 237 27 27 ASN ND2 N 112.722 0.300 1 238 27 27 ASN HD21 H 7.408 0.030 2 239 27 27 ASN HD22 H 6.792 0.030 2 240 27 27 ASN C C 173.520 0.300 1 241 27 27 ASN HB2 H 2.509 0.030 1 242 28 28 LEU N N 124.198 0.300 1 243 28 28 LEU H H 9.406 0.030 1 244 28 28 LEU CA C 53.773 0.300 1 245 28 28 LEU HA H 4.995 0.030 1 246 28 28 LEU CB C 44.307 0.300 1 247 28 28 LEU HB3 H 1.683 0.030 2 248 28 28 LEU CG C 28.444 0.300 1 249 28 28 LEU HG H 1.674 0.030 1 250 28 28 LEU CD1 C 26.220 0.300 2 251 28 28 LEU HD1 H 0.875 0.030 1 252 28 28 LEU CD2 C 24.704 0.300 2 253 28 28 LEU HD2 H 0.718 0.030 1 254 28 28 LEU C C 174.670 0.300 1 255 28 28 LEU HB2 H 0.863 0.030 2 256 29 29 SER N N 115.017 0.300 1 257 29 29 SER H H 8.314 0.030 1 258 29 29 SER CA C 56.340 0.300 1 259 29 29 SER HA H 4.807 0.030 1 260 29 29 SER CB C 65.926 0.300 1 261 29 29 SER HB3 H 3.594 0.030 2 262 29 29 SER C C 172.842 0.300 1 263 29 29 SER HB2 H 3.763 0.030 2 264 30 30 PHE N N 119.941 0.300 1 265 30 30 PHE H H 9.366 0.030 1 266 30 30 PHE CA C 57.047 0.300 1 267 30 30 PHE HA H 5.374 0.030 1 268 30 30 PHE CB C 44.307 0.300 1 269 30 30 PHE HB3 H 2.739 0.030 1 270 30 30 PHE CD1 C 133.554 0.300 1 271 30 30 PHE HD1 H 7.299 0.030 1 272 30 30 PHE CD2 C 133.554 0.300 1 273 30 30 PHE HD2 H 7.299 0.030 1 274 30 30 PHE CE1 C 130.327 0.300 1 275 30 30 PHE HE1 H 7.201 0.030 1 276 30 30 PHE CE2 C 130.327 0.300 1 277 30 30 PHE HE2 H 7.201 0.030 1 278 30 30 PHE CZ C 129.166 0.300 1 279 30 30 PHE HZ H 7.009 0.030 1 280 30 30 PHE C C 175.242 0.300 1 281 30 30 PHE HB2 H 2.739 0.030 1 282 31 31 ILE N N 122.161 0.300 1 283 31 31 ILE H H 8.950 0.030 1 284 31 31 ILE CA C 60.680 0.300 1 285 31 31 ILE HA H 4.338 0.030 1 286 31 31 ILE CB C 42.354 0.300 1 287 31 31 ILE HB H 1.854 0.030 1 288 31 31 ILE CG1 C 27.742 0.300 1 289 31 31 ILE HG13 H 1.549 0.030 2 290 31 31 ILE CG2 C 16.983 0.300 1 291 31 31 ILE HG2 H 0.877 0.030 1 292 31 31 ILE CD1 C 12.704 0.300 1 293 31 31 ILE HD1 H 0.880 0.030 1 294 31 31 ILE C C 174.368 0.300 1 295 31 31 ILE HG12 H 1.147 0.030 2 296 32 32 ARG N N 128.976 0.300 1 297 32 32 ARG H H 8.773 0.030 1 298 32 32 ARG CA C 51.444 0.300 1 299 32 32 ARG HA H 5.263 0.030 1 300 32 32 ARG CB C 29.600 0.300 1 301 32 32 ARG HB3 H 1.648 0.030 2 302 32 32 ARG CG C 26.046 0.300 1 303 32 32 ARG HG3 H 1.817 0.030 2 304 32 32 ARG CD C 42.394 0.300 1 305 32 32 ARG HD3 H 3.273 0.030 2 306 32 32 ARG NE N 82.844 0.300 1 307 32 32 ARG HE H 7.215 0.030 1 308 32 32 ARG C C 173.585 0.300 1 309 32 32 ARG HB2 H 2.047 0.030 2 310 32 32 ARG HD2 H 3.441 0.030 2 311 32 32 ARG HG2 H 1.456 0.030 2 312 33 33 PRO CA C 60.759 0.300 1 313 33 33 PRO HA H 4.581 0.030 1 314 33 33 PRO CB C 32.219 0.300 1 315 33 33 PRO HB3 H 1.944 0.030 2 316 33 33 PRO CG C 28.054 0.300 1 317 33 33 PRO HG3 H 1.919 0.030 2 318 33 33 PRO CD C 50.915 0.300 1 319 33 33 PRO HD3 H 4.011 0.030 2 320 33 33 PRO HB2 H 2.406 0.030 2 321 33 33 PRO HD2 H 3.826 0.030 2 322 33 33 PRO HG2 H 2.150 0.030 2 323 34 34 PRO CA C 64.464 0.300 1 324 34 34 PRO HA H 4.236 0.030 1 325 34 34 PRO CB C 31.997 0.300 1 326 34 34 PRO HB3 H 1.945 0.030 2 327 34 34 PRO CG C 27.563 0.300 1 328 34 34 PRO HG3 H 2.066 0.030 1 329 34 34 PRO CD C 50.915 0.300 1 330 34 34 PRO HD3 H 3.901 0.030 1 331 34 34 PRO C C 178.240 0.300 1 332 34 34 PRO HB2 H 2.317 0.030 2 333 34 34 PRO HD2 H 3.901 0.030 1 334 34 34 PRO HG2 H 2.066 0.030 1 335 35 35 GLU N N 115.025 0.300 1 336 35 35 GLU H H 9.287 0.030 1 337 35 35 GLU CA C 57.753 0.300 1 338 35 35 GLU HA H 4.205 0.030 1 339 35 35 GLU CB C 28.595 0.300 1 340 35 35 GLU HB3 H 2.056 0.030 1 341 35 35 GLU CG C 35.861 0.300 1 342 35 35 GLU HG3 H 2.199 0.030 2 343 35 35 GLU C C 176.471 0.300 1 344 35 35 GLU HB2 H 2.056 0.030 1 345 35 35 GLU HG2 H 2.321 0.030 2 346 36 36 ASN N N 114.302 0.300 1 347 36 36 ASN H H 7.257 0.030 1 348 36 36 ASN CA C 50.593 0.300 1 349 36 36 ASN HA H 5.024 0.030 1 350 36 36 ASN CB C 39.094 0.300 1 351 36 36 ASN HB3 H 2.942 0.030 2 352 36 36 ASN ND2 N 110.369 0.300 1 353 36 36 ASN HD21 H 6.795 0.030 2 354 36 36 ASN HD22 H 7.670 0.030 2 355 36 36 ASN C C 172.128 0.300 1 356 36 36 ASN HB2 H 2.668 0.030 2 357 37 37 PRO CA C 64.287 0.300 1 358 37 37 PRO HA H 4.600 0.030 1 359 37 37 PRO CB C 32.235 0.300 1 360 37 37 PRO HB3 H 2.365 0.030 2 361 37 37 PRO CG C 27.127 0.300 1 362 37 37 PRO CD C 50.378 0.300 1 363 37 37 PRO HD3 H 3.799 0.030 2 364 37 37 PRO C C 176.707 0.300 1 365 37 37 PRO HB2 H 1.965 0.030 2 366 37 37 PRO HD2 H 3.549 0.030 2 367 37 37 PRO HG2 H 2.030 0.030 2 368 38 38 ALA N N 117.780 0.300 1 369 38 38 ALA H H 7.596 0.030 1 370 38 38 ALA CA C 52.674 0.300 1 371 38 38 ALA HA H 4.262 0.030 1 372 38 38 ALA CB C 19.201 0.300 1 373 38 38 ALA HB H 1.336 0.030 1 374 38 38 ALA C C 176.546 0.300 1 375 39 39 LEU N N 122.870 0.300 1 376 39 39 LEU H H 7.963 0.030 1 377 39 39 LEU CA C 54.548 0.300 1 378 39 39 LEU HA H 4.953 0.030 1 379 39 39 LEU CB C 44.768 0.300 1 380 39 39 LEU HB3 H 1.288 0.030 2 381 39 39 LEU CG C 27.334 0.300 1 382 39 39 LEU HG H 1.421 0.030 1 383 39 39 LEU CD1 C 23.361 0.300 2 384 39 39 LEU HD1 H 0.892 0.030 1 385 39 39 LEU CD2 C 26.503 0.300 2 386 39 39 LEU HD2 H 0.954 0.030 1 387 39 39 LEU C C 173.627 0.300 1 388 39 39 LEU HB2 H 2.063 0.030 2 389 40 40 LEU N N 125.985 0.300 1 390 40 40 LEU H H 9.247 0.030 1 391 40 40 LEU CA C 53.914 0.300 1 392 40 40 LEU HA H 5.018 0.030 1 393 40 40 LEU CB C 45.014 0.300 1 394 40 40 LEU HB3 H 1.903 0.030 2 395 40 40 LEU CG C 28.467 0.300 1 396 40 40 LEU HG H 1.595 0.030 1 397 40 40 LEU CD1 C 23.075 0.300 2 398 40 40 LEU HD1 H 1.169 0.030 1 399 40 40 LEU CD2 C 28.324 0.300 2 400 40 40 LEU HD2 H 1.198 0.030 1 401 40 40 LEU C C 174.170 0.300 1 402 40 40 LEU HB2 H 1.808 0.030 2 403 41 41 LEU N N 125.906 0.300 1 404 41 41 LEU H H 9.224 0.030 1 405 41 41 LEU CA C 53.190 0.300 1 406 41 41 LEU HA H 5.222 0.030 1 407 41 41 LEU CB C 42.034 0.300 1 408 41 41 LEU HB3 H 1.992 0.030 2 409 41 41 LEU CG C 27.671 0.300 1 410 41 41 LEU HG H 1.607 0.030 1 411 41 41 LEU CD1 C 25.277 0.300 2 412 41 41 LEU HD1 H 0.939 0.030 1 413 41 41 LEU CD2 C 24.450 0.300 2 414 41 41 LEU HD2 H 0.968 0.030 1 415 41 41 LEU C C 177.109 0.300 1 416 41 41 LEU HB2 H 1.414 0.030 2 417 42 42 ILE N N 124.731 0.300 1 418 42 42 ILE H H 9.087 0.030 1 419 42 42 ILE CA C 59.794 0.300 1 420 42 42 ILE HA H 5.055 0.030 1 421 42 42 ILE CB C 41.019 0.300 1 422 42 42 ILE HB H 1.699 0.030 1 423 42 42 ILE CG1 C 27.495 0.300 1 424 42 42 ILE HG13 H 1.760 0.030 2 425 42 42 ILE CG2 C 17.153 0.300 1 426 42 42 ILE HG2 H 0.545 0.030 1 427 42 42 ILE CD1 C 15.010 0.300 1 428 42 42 ILE HD1 H 0.896 0.030 1 429 42 42 ILE C C 175.074 0.300 1 430 42 42 ILE HG12 H 1.072 0.030 2 431 43 43 THR N N 123.315 0.300 1 432 43 43 THR H H 8.589 0.030 1 433 43 43 THR CA C 61.677 0.300 1 434 43 43 THR HA H 5.023 0.030 1 435 43 43 THR CB C 69.838 0.300 1 436 43 43 THR HB H 3.804 0.030 1 437 43 43 THR CG2 C 20.622 0.300 1 438 43 43 THR HG2 H 0.958 0.030 1 439 43 43 THR C C 174.993 0.300 1 440 44 44 ILE N N 126.677 0.300 1 441 44 44 ILE H H 9.329 0.030 1 442 44 44 ILE CA C 59.794 0.300 1 443 44 44 ILE HA H 4.953 0.030 1 444 44 44 ILE CB C 38.754 0.300 1 445 44 44 ILE HB H 1.844 0.030 1 446 44 44 ILE CG1 C 27.846 0.300 1 447 44 44 ILE HG13 H 1.128 0.030 2 448 44 44 ILE CG2 C 18.004 0.300 1 449 44 44 ILE HG2 H 0.780 0.030 1 450 44 44 ILE CD1 C 14.188 0.300 1 451 44 44 ILE HD1 H 0.801 0.030 1 452 44 44 ILE C C 174.670 0.300 1 453 44 44 ILE HG12 H 1.645 0.030 2 454 45 45 THR N N 120.442 0.300 1 455 45 45 THR H H 8.740 0.030 1 456 45 45 THR CA C 61.579 0.300 1 457 45 45 THR HA H 5.266 0.030 1 458 45 45 THR CB C 70.338 0.300 1 459 45 45 THR HB H 3.778 0.030 1 460 45 45 THR CG2 C 21.620 0.300 1 461 45 45 THR HG2 H 0.996 0.030 1 462 45 45 THR C C 174.494 0.300 1 463 46 46 ALA N N 134.267 0.300 1 464 46 46 ALA H H 9.489 0.030 1 465 46 46 ALA CA C 49.846 0.300 1 466 46 46 ALA HA H 5.554 0.030 1 467 46 46 ALA CB C 20.414 0.300 1 468 46 46 ALA HB H 0.593 0.030 1 469 46 46 ALA C C 174.819 0.300 1 470 47 47 THR N N 111.611 0.300 1 471 47 47 THR H H 8.431 0.030 1 472 47 47 THR CA C 59.331 0.300 1 473 47 47 THR HA H 4.409 0.030 1 474 47 47 THR CB C 71.655 0.300 1 475 47 47 THR HB H 3.763 0.030 1 476 47 47 THR CG2 C 22.590 0.300 1 477 47 47 THR HG2 H 0.935 0.030 1 478 47 47 THR C C 173.104 0.300 1 479 48 48 ASN N N 117.087 0.300 1 480 48 48 ASN H H 8.647 0.030 1 481 48 48 ASN CA C 51.019 0.300 1 482 48 48 ASN HA H 5.096 0.030 1 483 48 48 ASN CB C 39.880 0.300 1 484 48 48 ASN HB3 H 2.833 0.030 2 485 48 48 ASN ND2 N 112.904 0.300 1 486 48 48 ASN HD21 H 8.350 0.030 2 487 48 48 ASN HD22 H 6.851 0.030 2 488 48 48 ASN C C 173.769 0.300 1 489 48 48 ASN HB2 H 1.885 0.030 2 490 49 49 PHE N N 123.238 0.300 1 491 49 49 PHE H H 9.105 0.030 1 492 49 49 PHE CA C 57.422 0.300 1 493 49 49 PHE HA H 4.601 0.030 1 494 49 49 PHE CB C 38.770 0.300 1 495 49 49 PHE HB3 H 2.875 0.030 2 496 49 49 PHE CD1 C 131.416 0.300 1 497 49 49 PHE HD1 H 7.233 0.030 1 498 49 49 PHE CD2 C 131.416 0.300 1 499 49 49 PHE HD2 H 7.233 0.030 1 500 49 49 PHE CE1 C 131.398 0.300 1 501 49 49 PHE HE1 H 7.289 0.030 1 502 49 49 PHE CE2 C 131.398 0.300 1 503 49 49 PHE HE2 H 7.289 0.030 1 504 49 49 PHE CZ C 129.725 0.300 1 505 49 49 PHE HZ H 7.267 0.030 1 506 49 49 PHE C C 176.238 0.300 1 507 49 49 PHE HB2 H 3.489 0.030 2 508 50 50 SER N N 118.477 0.300 1 509 50 50 SER H H 8.344 0.030 1 510 50 50 SER CA C 58.654 0.300 1 511 50 50 SER HA H 4.933 0.030 1 512 50 50 SER CB C 66.611 0.300 1 513 50 50 SER C C 173.089 0.300 1 514 51 51 GLU N N 114.036 0.300 1 515 51 51 GLU H H 9.051 0.030 1 516 51 51 GLU CA C 56.701 0.300 1 517 51 51 GLU HA H 4.358 0.030 1 518 51 51 GLU CB C 30.323 0.300 1 519 51 51 GLU HB3 H 2.054 0.030 2 520 51 51 GLU CG C 36.519 0.300 1 521 51 51 GLU HG3 H 2.511 0.030 2 522 51 51 GLU C C 175.603 0.300 1 523 51 51 GLU HB2 H 2.581 0.030 2 524 51 51 GLU HG2 H 2.380 0.030 2 525 52 52 GLY N N 109.625 0.300 1 526 52 52 GLY H H 8.525 0.030 1 527 52 52 GLY CA C 44.267 0.300 1 528 52 52 GLY HA3 H 4.505 0.030 2 529 52 52 GLY C C 173.168 0.300 1 530 52 52 GLY HA2 H 2.842 0.030 2 531 53 53 ASP N N 125.175 0.300 1 532 53 53 ASP H H 9.001 0.030 1 533 53 53 ASP CA C 55.793 0.300 1 534 53 53 ASP HA H 4.082 0.030 1 535 53 53 ASP CB C 40.522 0.300 1 536 53 53 ASP HB3 H 2.185 0.030 2 537 53 53 ASP C C 176.506 0.300 1 538 53 53 ASP HB2 H 2.506 0.030 2 539 54 54 VAL N N 125.250 0.300 1 540 54 54 VAL H H 7.873 0.030 1 541 54 54 VAL CA C 61.350 0.300 1 542 54 54 VAL HA H 4.759 0.030 1 543 54 54 VAL CB C 32.808 0.300 1 544 54 54 VAL HB H 1.695 0.030 1 545 54 54 VAL CG1 C 22.230 0.300 2 546 54 54 VAL HG1 H 0.686 0.030 1 547 54 54 VAL CG2 C 22.349 0.300 2 548 54 54 VAL HG2 H 0.319 0.030 1 549 54 54 VAL C C 176.126 0.300 1 550 55 55 THR N N 116.888 0.300 1 551 55 55 THR H H 9.004 0.030 1 552 55 55 THR CA C 59.194 0.300 1 553 55 55 THR HA H 4.920 0.030 1 554 55 55 THR CB C 72.508 0.300 1 555 55 55 THR HB H 3.827 0.030 1 556 55 55 THR CG2 C 22.841 0.300 1 557 55 55 THR HG2 H 1.038 0.030 1 558 55 55 THR C C 173.166 0.300 1 559 56 56 HIS N N 115.667 0.300 1 560 56 56 HIS H H 9.193 0.030 1 561 56 56 HIS CA C 56.363 0.300 1 562 56 56 HIS HA H 4.153 0.030 1 563 56 56 HIS CB C 26.923 0.300 1 564 56 56 HIS HB3 H 3.265 0.030 1 565 56 56 HIS CD2 C 119.801 0.300 1 566 56 56 HIS HD2 H 7.135 0.030 1 567 56 56 HIS CE1 C 136.758 0.300 1 568 56 56 HIS HE1 H 8.178 0.030 1 569 56 56 HIS C C 173.611 0.300 1 570 56 56 HIS HB2 H 3.265 0.030 1 571 57 57 PHE N N 118.625 0.300 1 572 57 57 PHE H H 8.932 0.030 1 573 57 57 PHE CA C 59.503 0.300 1 574 57 57 PHE HA H 4.819 0.030 1 575 57 57 PHE CB C 39.871 0.300 1 576 57 57 PHE HB3 H 2.644 0.030 2 577 57 57 PHE CD1 C 132.133 0.300 1 578 57 57 PHE HD1 H 6.811 0.030 1 579 57 57 PHE CD2 C 132.133 0.300 1 580 57 57 PHE HD2 H 6.811 0.030 1 581 57 57 PHE CE1 C 129.911 0.300 1 582 57 57 PHE HE1 H 6.776 0.030 1 583 57 57 PHE CE2 C 129.911 0.300 1 584 57 57 PHE HE2 H 6.776 0.030 1 585 57 57 PHE CZ C 128.795 0.300 1 586 57 57 PHE HZ H 6.794 0.030 1 587 57 57 PHE C C 176.025 0.300 1 588 57 57 PHE HB2 H 2.313 0.030 2 589 58 58 ILE N N 131.418 0.300 1 590 58 58 ILE H H 8.989 0.030 1 591 58 58 ILE CA C 61.138 0.300 1 592 58 58 ILE HA H 4.001 0.030 1 593 58 58 ILE CB C 41.349 0.300 1 594 58 58 ILE HB H 1.730 0.030 1 595 58 58 ILE CG1 C 27.197 0.300 1 596 58 58 ILE HG13 H 1.461 0.030 2 597 58 58 ILE CG2 C 17.313 0.300 1 598 58 58 ILE HG2 H 0.783 0.030 1 599 58 58 ILE CD1 C 13.023 0.300 1 600 58 58 ILE HD1 H 0.771 0.030 1 601 58 58 ILE C C 173.046 0.300 1 602 58 58 ILE HG12 H 0.993 0.030 2 603 59 59 CYS N N 126.838 0.300 1 604 59 59 CYS H H 8.844 0.030 1 605 59 59 CYS CA C 56.902 0.300 1 606 59 59 CYS HA H 5.044 0.030 1 607 59 59 CYS CB C 28.363 0.300 1 608 59 59 CYS HB3 H 3.093 0.030 2 609 59 59 CYS C C 173.375 0.300 1 610 59 59 CYS HB2 H 2.365 0.030 2 611 60 60 GLN N N 126.903 0.300 1 612 60 60 GLN H H 8.929 0.030 1 613 60 60 GLN CA C 54.162 0.300 1 614 60 60 GLN HA H 4.656 0.030 1 615 60 60 GLN CB C 31.991 0.300 1 616 60 60 GLN HB3 H 2.059 0.030 2 617 60 60 GLN CG C 33.969 0.300 1 618 60 60 GLN NE2 N 111.439 0.300 1 619 60 60 GLN HE21 H 7.446 0.030 2 620 60 60 GLN HE22 H 6.739 0.030 2 621 60 60 GLN C C 174.000 0.300 1 622 60 60 GLN HB2 H 1.818 0.030 2 623 60 60 GLN HG2 H 2.259 0.030 2 624 61 61 ALA N N 124.049 0.300 1 625 61 61 ALA H H 8.178 0.030 1 626 61 61 ALA CA C 50.160 0.300 1 627 61 61 ALA HA H 5.192 0.030 1 628 61 61 ALA CB C 23.419 0.300 1 629 61 61 ALA HB H 0.635 0.030 1 630 61 61 ALA C C 175.076 0.300 1 631 62 62 ALA N N 121.362 0.300 1 632 62 62 ALA H H 8.488 0.030 1 633 62 62 ALA CA C 51.309 0.300 1 634 62 62 ALA HA H 4.667 0.030 1 635 62 62 ALA CB C 22.617 0.300 1 636 62 62 ALA HB H 1.260 0.030 1 637 62 62 ALA C C 176.013 0.300 1 638 63 63 VAL N N 113.572 0.300 1 639 63 63 VAL H H 8.271 0.030 1 640 63 63 VAL CA C 57.691 0.300 1 641 63 63 VAL HA H 5.045 0.030 1 642 63 63 VAL CB C 32.968 0.300 1 643 63 63 VAL HB H 2.284 0.030 1 644 63 63 VAL CG1 C 22.632 0.300 2 645 63 63 VAL HG1 H 0.934 0.030 1 646 63 63 VAL CG2 C 19.191 0.300 2 647 63 63 VAL HG2 H 0.755 0.030 1 648 63 63 VAL C C 173.707 0.300 1 649 64 64 PRO CA C 62.757 0.300 1 650 64 64 PRO HA H 4.459 0.030 1 651 64 64 PRO CB C 32.728 0.300 1 652 64 64 PRO HB3 H 1.850 0.030 2 653 64 64 PRO CG C 28.033 0.300 1 654 64 64 PRO HG3 H 2.020 0.030 2 655 64 64 PRO CD C 50.986 0.300 1 656 64 64 PRO HD3 H 4.094 0.030 2 657 64 64 PRO C C 176.348 0.300 1 658 64 64 PRO HB2 H 2.442 0.030 2 659 64 64 PRO HD2 H 3.455 0.030 2 660 64 64 PRO HG2 H 1.842 0.030 2 661 65 65 LYS N N 118.624 0.300 1 662 65 65 LYS H H 8.323 0.030 1 663 65 65 LYS CA C 58.516 0.300 1 664 65 65 LYS HA H 4.183 0.030 1 665 65 65 LYS CB C 32.320 0.300 1 666 65 65 LYS HB3 H 1.871 0.030 1 667 65 65 LYS CG C 24.819 0.300 1 668 65 65 LYS HG3 H 1.528 0.030 1 669 65 65 LYS CD C 29.201 0.300 1 670 65 65 LYS HD3 H 1.710 0.030 1 671 65 65 LYS CE C 42.137 0.300 1 672 65 65 LYS HE3 H 3.008 0.030 1 673 65 65 LYS C C 176.595 0.300 1 674 65 65 LYS HB2 H 1.871 0.030 1 675 65 65 LYS HD2 H 1.710 0.030 1 676 65 65 LYS HE2 H 3.008 0.030 1 677 65 65 LYS HG2 H 1.528 0.030 1 678 66 66 SER N N 111.762 0.300 1 679 66 66 SER H H 7.779 0.030 1 680 66 66 SER CA C 59.298 0.300 1 681 66 66 SER HA H 4.234 0.030 1 682 66 66 SER CB C 62.984 0.300 1 683 66 66 SER HB3 H 3.921 0.030 2 684 66 66 SER C C 174.137 0.300 1 685 66 66 SER HB2 H 3.855 0.030 2 686 67 67 LEU N N 124.569 0.300 1 687 67 67 LEU H H 8.109 0.030 1 688 67 67 LEU CA C 54.940 0.300 1 689 67 67 LEU HA H 4.836 0.030 1 690 67 67 LEU CB C 43.882 0.300 1 691 67 67 LEU HB3 H 1.483 0.030 2 692 67 67 LEU CG C 29.141 0.300 1 693 67 67 LEU HG H 1.601 0.030 1 694 67 67 LEU CD1 C 25.816 0.300 2 695 67 67 LEU HD1 H 0.779 0.030 1 696 67 67 LEU CD2 C 26.419 0.300 2 697 67 67 LEU HD2 H 0.770 0.030 1 698 67 67 LEU C C 174.925 0.300 1 699 67 67 LEU HB2 H 1.682 0.030 2 700 68 68 GLN N N 117.163 0.300 1 701 68 68 GLN H H 8.063 0.030 1 702 68 68 GLN CA C 54.829 0.300 1 703 68 68 GLN HA H 4.674 0.030 1 704 68 68 GLN CB C 31.579 0.300 1 705 68 68 GLN HB3 H 2.127 0.030 2 706 68 68 GLN CG C 34.047 0.300 1 707 68 68 GLN HG3 H 2.373 0.030 2 708 68 68 GLN NE2 N 111.587 0.300 1 709 68 68 GLN HE21 H 7.514 0.030 2 710 68 68 GLN HE22 H 6.746 0.030 2 711 68 68 GLN C C 174.077 0.300 1 712 68 68 GLN HB2 H 2.006 0.030 2 713 68 68 GLN HG2 H 2.299 0.030 2 714 69 69 LEU N N 126.046 0.300 1 715 69 69 LEU H H 8.676 0.030 1 716 69 69 LEU CA C 54.073 0.300 1 717 69 69 LEU HA H 5.231 0.030 1 718 69 69 LEU CB C 45.602 0.300 1 719 69 69 LEU HB3 H 1.382 0.030 2 720 69 69 LEU CG C 27.540 0.300 1 721 69 69 LEU CD1 C 25.077 0.300 2 722 69 69 LEU HD1 H 0.730 0.030 1 723 69 69 LEU CD2 C 26.367 0.300 2 724 69 69 LEU HD2 H 0.770 0.030 1 725 69 69 LEU C C 175.497 0.300 1 726 69 69 LEU HB2 H 1.733 0.030 2 727 70 70 GLN N N 126.758 0.300 1 728 70 70 GLN H H 9.410 0.030 1 729 70 70 GLN CA C 54.657 0.300 1 730 70 70 GLN HA H 4.746 0.030 1 731 70 70 GLN CB C 31.537 0.300 1 732 70 70 GLN HB3 H 2.103 0.030 2 733 70 70 GLN CG C 33.570 0.300 1 734 70 70 GLN HG3 H 2.340 0.030 1 735 70 70 GLN NE2 N 111.491 0.300 1 736 70 70 GLN HE21 H 7.562 0.030 2 737 70 70 GLN HE22 H 6.816 0.030 2 738 70 70 GLN C C 174.686 0.300 1 739 70 70 GLN HB2 H 2.019 0.030 2 740 70 70 GLN HG2 H 2.340 0.030 1 741 71 71 LEU N N 126.413 0.300 1 742 71 71 LEU H H 8.936 0.030 1 743 71 71 LEU CA C 55.294 0.300 1 744 71 71 LEU HA H 4.752 0.030 1 745 71 71 LEU CB C 43.898 0.300 1 746 71 71 LEU HB3 H 1.668 0.030 2 747 71 71 LEU CG C 27.622 0.300 1 748 71 71 LEU HG H 1.621 0.030 1 749 71 71 LEU CD1 C 25.731 0.300 2 750 71 71 LEU HD1 H 0.888 0.030 1 751 71 71 LEU CD2 C 25.278 0.300 2 752 71 71 LEU HD2 H 0.835 0.030 1 753 71 71 LEU C C 176.498 0.300 1 754 71 71 LEU HB2 H 1.618 0.030 2 755 72 72 GLN N N 121.553 0.300 1 756 72 72 GLN H H 8.100 0.030 1 757 72 72 GLN CA C 54.209 0.300 1 758 72 72 GLN HA H 4.589 0.030 1 759 72 72 GLN CB C 31.142 0.300 1 760 72 72 GLN HB3 H 2.267 0.030 2 761 72 72 GLN CG C 34.856 0.300 1 762 72 72 GLN HG3 H 2.356 0.030 2 763 72 72 GLN NE2 N 112.487 0.300 1 764 72 72 GLN HE21 H 7.458 0.030 2 765 72 72 GLN HE22 H 6.984 0.030 2 766 72 72 GLN C C 174.254 0.300 1 767 72 72 GLN HB2 H 2.161 0.030 2 768 72 72 GLN HG2 H 2.418 0.030 2 769 73 73 ALA N N 124.262 0.300 1 770 73 73 ALA H H 8.452 0.030 1 771 73 73 ALA CA C 51.211 0.300 1 772 73 73 ALA HA H 4.500 0.030 1 773 73 73 ALA CB C 17.185 0.300 1 774 73 73 ALA HB H 1.414 0.030 1 775 73 73 ALA C C 176.548 0.300 1 776 74 74 PRO CA C 62.160 0.300 1 777 74 74 PRO HA H 4.848 0.030 1 778 74 74 PRO CB C 32.897 0.300 1 779 74 74 PRO HB3 H 2.248 0.030 1 780 74 74 PRO CG C 26.880 0.300 1 781 74 74 PRO CD C 50.207 0.300 1 782 74 74 PRO C C 177.266 0.300 1 783 74 74 PRO HB2 H 2.248 0.030 1 784 74 74 PRO HD2 H 3.806 0.030 2 785 74 74 PRO HG2 H 1.940 0.030 2 786 75 75 SER N N 115.398 0.300 1 787 75 75 SER H H 9.293 0.030 1 788 75 75 SER CA C 61.024 0.300 1 789 75 75 SER HA H 4.154 0.030 1 790 75 75 SER CB C 62.867 0.300 1 791 75 75 SER HB3 H 3.935 0.030 2 792 75 75 SER C C 174.460 0.300 1 793 75 75 SER HB2 H 4.183 0.030 2 794 76 76 GLY N N 106.233 0.300 1 795 76 76 GLY H H 7.208 0.030 1 796 76 76 GLY CA C 44.930 0.300 1 797 76 76 GLY HA3 H 4.306 0.030 2 798 76 76 GLY C C 171.327 0.300 1 799 76 76 GLY HA2 H 4.095 0.030 2 800 77 77 ASN CA C 53.060 0.300 1 801 77 77 ASN HA H 5.001 0.030 1 802 77 77 ASN CB C 40.650 0.300 1 803 77 77 ASN HB3 H 3.139 0.030 2 804 77 77 ASN ND2 N 111.708 0.300 1 805 77 77 ASN HD21 H 7.760 0.030 2 806 77 77 ASN HD22 H 7.032 0.030 2 807 77 77 ASN C C 173.427 0.300 1 808 77 77 ASN HB2 H 2.939 0.030 2 809 78 78 THR N N 114.705 0.300 1 810 78 78 THR H H 7.579 0.030 1 811 78 78 THR CA C 59.766 0.300 1 812 78 78 THR HA H 5.174 0.030 1 813 78 78 THR CB C 71.855 0.300 1 814 78 78 THR HB H 4.019 0.030 1 815 78 78 THR CG2 C 20.607 0.300 1 816 78 78 THR HG2 H 1.075 0.030 1 817 78 78 THR C C 173.138 0.300 1 818 79 79 VAL N N 123.606 0.300 1 819 79 79 VAL H H 8.696 0.030 1 820 79 79 VAL CA C 58.982 0.300 1 821 79 79 VAL HA H 4.495 0.030 1 822 79 79 VAL CB C 32.717 0.300 1 823 79 79 VAL HB H 1.695 0.030 1 824 79 79 VAL CG1 C 23.868 0.300 2 825 79 79 VAL HG1 H 0.716 0.030 1 826 79 79 VAL CG2 C 19.644 0.300 2 827 79 79 VAL HG2 H 0.257 0.030 1 828 79 79 VAL C C 174.289 0.300 1 829 80 80 PRO CA C 63.184 0.300 1 830 80 80 PRO HA H 4.160 0.030 1 831 80 80 PRO CB C 33.128 0.300 1 832 80 80 PRO HB3 H 2.422 0.030 2 833 80 80 PRO CG C 27.500 0.300 1 834 80 80 PRO HG3 H 2.052 0.030 2 835 80 80 PRO CD C 52.368 0.300 1 836 80 80 PRO HD3 H 3.746 0.030 2 837 80 80 PRO C C 174.009 0.300 1 838 80 80 PRO HB2 H 1.785 0.030 2 839 80 80 PRO HD2 H 3.692 0.030 2 840 80 80 PRO HG2 H 1.870 0.030 2 841 81 81 ALA N N 120.000 0.300 1 842 81 81 ALA H H 8.371 0.030 1 843 81 81 ALA CA C 51.951 0.300 1 844 81 81 ALA HA H 3.715 0.030 1 845 81 81 ALA CB C 20.029 0.300 1 846 81 81 ALA HB H 1.133 0.030 1 847 81 81 ALA C C 176.740 0.300 1 848 82 82 ARG N N 111.901 0.300 1 849 82 82 ARG H H 8.724 0.030 1 850 82 82 ARG CA C 57.062 0.300 1 851 82 82 ARG HA H 3.665 0.030 1 852 82 82 ARG CB C 26.959 0.300 1 853 82 82 ARG HB3 H 1.891 0.030 1 854 82 82 ARG CG C 28.164 0.300 1 855 82 82 ARG HG3 H 1.490 0.030 1 856 82 82 ARG CD C 43.551 0.300 1 857 82 82 ARG HD3 H 3.327 0.030 2 858 82 82 ARG C C 176.777 0.300 1 859 82 82 ARG HB2 H 1.891 0.030 1 860 82 82 ARG HD2 H 3.142 0.030 2 861 82 82 ARG HG2 H 1.490 0.030 1 862 83 83 GLY N N 107.610 0.300 1 863 83 83 GLY H H 9.251 0.030 1 864 83 83 GLY CA C 46.389 0.300 1 865 83 83 GLY HA3 H 3.731 0.030 2 866 83 83 GLY C C 176.193 0.300 1 867 83 83 GLY HA2 H 3.352 0.030 2 868 84 84 GLY N N 106.030 0.300 1 869 84 84 GLY H H 7.015 0.030 1 870 84 84 GLY CA C 45.272 0.300 1 871 84 84 GLY HA3 H 3.537 0.030 2 872 84 84 GLY C C 171.651 0.300 1 873 84 84 GLY HA2 H 3.891 0.030 2 874 85 85 LEU N N 120.524 0.300 1 875 85 85 LEU H H 7.903 0.030 1 876 85 85 LEU CA C 53.494 0.300 1 877 85 85 LEU HA H 4.346 0.030 1 878 85 85 LEU CB C 42.901 0.300 1 879 85 85 LEU HB3 H 1.548 0.030 2 880 85 85 LEU CG C 26.298 0.300 1 881 85 85 LEU HG H 1.649 0.030 1 882 85 85 LEU CD1 C 24.419 0.300 2 883 85 85 LEU HD1 H 0.935 0.030 1 884 85 85 LEU CD2 C 25.290 0.300 2 885 85 85 LEU HD2 H 0.888 0.030 1 886 85 85 LEU C C 174.362 0.300 1 887 85 85 LEU HB2 H 1.432 0.030 2 888 86 86 PRO CA C 62.752 0.300 1 889 86 86 PRO HA H 4.570 0.030 1 890 86 86 PRO CB C 33.557 0.300 1 891 86 86 PRO HB3 H 2.097 0.030 2 892 86 86 PRO CG C 26.923 0.300 1 893 86 86 PRO HG3 H 1.778 0.030 1 894 86 86 PRO CD C 51.420 0.300 1 895 86 86 PRO HD3 H 3.933 0.030 2 896 86 86 PRO C C 178.338 0.300 1 897 86 86 PRO HB2 H 1.496 0.030 2 898 86 86 PRO HD2 H 3.515 0.030 2 899 86 86 PRO HG2 H 1.778 0.030 1 900 87 87 ILE N N 118.504 0.300 1 901 87 87 ILE H H 7.544 0.030 1 902 87 87 ILE CA C 60.571 0.300 1 903 87 87 ILE HA H 4.021 0.030 1 904 87 87 ILE CB C 40.787 0.300 1 905 87 87 ILE HB H 1.018 0.030 1 906 87 87 ILE CG1 C 27.977 0.300 1 907 87 87 ILE HG13 H 1.300 0.030 2 908 87 87 ILE CG2 C 17.236 0.300 1 909 87 87 ILE HG2 H 0.738 0.030 1 910 87 87 ILE CD1 C 14.789 0.300 1 911 87 87 ILE HD1 H 0.162 0.030 1 912 87 87 ILE C C 175.620 0.300 1 913 87 87 ILE HG12 H 0.508 0.030 2 914 88 88 THR N N 115.839 0.300 1 915 88 88 THR H H 8.788 0.030 1 916 88 88 THR CA C 58.935 0.300 1 917 88 88 THR HA H 5.678 0.030 1 918 88 88 THR CB C 72.532 0.300 1 919 88 88 THR HB H 3.897 0.030 1 920 88 88 THR CG2 C 21.627 0.300 1 921 88 88 THR HG2 H 1.106 0.030 1 922 88 88 THR C C 174.318 0.300 1 923 89 89 GLN N N 121.295 0.300 1 924 89 89 GLN H H 8.399 0.030 1 925 89 89 GLN CA C 56.259 0.300 1 926 89 89 GLN HA H 4.528 0.030 1 927 89 89 GLN CB C 30.760 0.300 1 928 89 89 GLN HB3 H 1.916 0.030 1 929 89 89 GLN CG C 33.126 0.300 1 930 89 89 GLN HG3 H 2.096 0.030 1 931 89 89 GLN NE2 N 107.572 0.300 1 932 89 89 GLN HE21 H 7.427 0.030 2 933 89 89 GLN HE22 H 6.941 0.030 2 934 89 89 GLN C C 172.439 0.300 1 935 89 89 GLN HB2 H 1.916 0.030 1 936 89 89 GLN HG2 H 2.096 0.030 1 937 90 90 LEU N N 129.715 0.300 1 938 90 90 LEU H H 8.426 0.030 1 939 90 90 LEU CA C 54.513 0.300 1 940 90 90 LEU HA H 5.103 0.030 1 941 90 90 LEU CB C 44.412 0.300 1 942 90 90 LEU HB3 H 1.353 0.030 2 943 90 90 LEU CG C 27.726 0.300 1 944 90 90 LEU HG H 1.400 0.030 1 945 90 90 LEU CD1 C 24.310 0.300 2 946 90 90 LEU HD1 H 0.840 0.030 1 947 90 90 LEU CD2 C 25.973 0.300 2 948 90 90 LEU HD2 H 0.812 0.030 1 949 90 90 LEU C C 175.027 0.300 1 950 90 90 LEU HB2 H 1.594 0.030 2 951 91 91 PHE N N 123.227 0.300 1 952 91 91 PHE H H 9.647 0.030 1 953 91 91 PHE CA C 55.327 0.300 1 954 91 91 PHE HA H 5.064 0.030 1 955 91 91 PHE CB C 40.899 0.300 1 956 91 91 PHE HB3 H 3.091 0.030 2 957 91 91 PHE CD1 C 130.852 0.300 1 958 91 91 PHE HD1 H 7.068 0.030 1 959 91 91 PHE CD2 C 130.852 0.300 1 960 91 91 PHE HD2 H 7.068 0.030 1 961 91 91 PHE CE1 C 129.411 0.300 1 962 91 91 PHE HE1 H 7.085 0.030 1 963 91 91 PHE CE2 C 129.411 0.300 1 964 91 91 PHE HE2 H 7.085 0.030 1 965 91 91 PHE CZ C 130.909 0.300 1 966 91 91 PHE HZ H 7.102 0.030 1 967 91 91 PHE C C 174.296 0.300 1 968 91 91 PHE HB2 H 2.821 0.030 2 969 92 92 ARG N N 121.174 0.300 1 970 92 92 ARG H H 8.726 0.030 1 971 92 92 ARG CA C 55.046 0.300 1 972 92 92 ARG HA H 5.109 0.030 1 973 92 92 ARG CB C 32.524 0.300 1 974 92 92 ARG HB3 H 1.802 0.030 2 975 92 92 ARG CG C 27.888 0.300 1 976 92 92 ARG HG3 H 1.436 0.030 2 977 92 92 ARG CD C 43.490 0.300 1 978 92 92 ARG HD3 H 3.219 0.030 2 979 92 92 ARG C C 175.154 0.300 1 980 92 92 ARG HB2 H 1.738 0.030 2 981 92 92 ARG HD2 H 3.108 0.030 2 982 92 92 ARG HG2 H 1.536 0.030 2 983 93 93 ILE N N 126.629 0.300 1 984 93 93 ILE H H 9.599 0.030 1 985 93 93 ILE CA C 59.538 0.300 1 986 93 93 ILE HA H 5.206 0.030 1 987 93 93 ILE CB C 40.963 0.300 1 988 93 93 ILE HB H 2.032 0.030 1 989 93 93 ILE CG1 C 29.643 0.300 1 990 93 93 ILE HG13 H 1.578 0.030 2 991 93 93 ILE CG2 C 18.555 0.300 1 992 93 93 ILE HG2 H 0.948 0.030 1 993 93 93 ILE CD1 C 14.852 0.300 1 994 93 93 ILE HD1 H 0.876 0.030 1 995 93 93 ILE C C 174.400 0.300 1 996 93 93 ILE HG12 H 1.168 0.030 2 997 94 94 LEU N N 127.940 0.300 1 998 94 94 LEU H H 8.853 0.030 1 999 94 94 LEU CA C 53.673 0.300 1 1000 94 94 LEU HA H 5.152 0.030 1 1001 94 94 LEU CB C 44.245 0.300 1 1002 94 94 LEU HB3 H 1.510 0.030 2 1003 94 94 LEU CG C 27.643 0.300 1 1004 94 94 LEU HG H 1.558 0.030 1 1005 94 94 LEU CD1 C 24.591 0.300 1 1006 94 94 LEU HD1 H 0.840 0.030 1 1007 94 94 LEU CD2 C 24.591 0.300 1 1008 94 94 LEU HD2 H 0.840 0.030 1 1009 94 94 LEU C C 176.106 0.300 1 1010 94 94 LEU HB2 H 1.682 0.030 2 1011 95 95 ASN N N 119.567 0.300 1 1012 95 95 ASN H H 9.271 0.030 1 1013 95 95 ASN CA C 49.634 0.300 1 1014 95 95 ASN HA H 5.361 0.030 1 1015 95 95 ASN CB C 39.189 0.300 1 1016 95 95 ASN HB3 H 3.451 0.030 2 1017 95 95 ASN ND2 N 111.749 0.300 1 1018 95 95 ASN HD21 H 8.155 0.030 2 1019 95 95 ASN HD22 H 8.940 0.030 2 1020 95 95 ASN C C 173.779 0.300 1 1021 95 95 ASN HB2 H 2.368 0.030 2 1022 96 96 PRO CA C 64.795 0.300 1 1023 96 96 PRO HA H 4.306 0.030 1 1024 96 96 PRO CB C 32.010 0.300 1 1025 96 96 PRO HB3 H 2.321 0.030 2 1026 96 96 PRO CG C 27.290 0.300 1 1027 96 96 PRO HG3 H 2.057 0.030 2 1028 96 96 PRO CD C 50.840 0.300 1 1029 96 96 PRO HD3 H 3.439 0.030 2 1030 96 96 PRO C C 177.656 0.300 1 1031 96 96 PRO HB2 H 2.009 0.030 2 1032 96 96 PRO HD2 H 4.060 0.030 2 1033 96 96 PRO HG2 H 2.009 0.030 2 1034 97 97 ASN N N 114.343 0.300 1 1035 97 97 ASN H H 8.840 0.030 1 1036 97 97 ASN CA C 52.889 0.300 1 1037 97 97 ASN HA H 4.828 0.030 1 1038 97 97 ASN CB C 38.085 0.300 1 1039 97 97 ASN HB3 H 2.961 0.030 2 1040 97 97 ASN ND2 N 113.250 0.300 1 1041 97 97 ASN HD21 H 7.502 0.030 2 1042 97 97 ASN HD22 H 7.043 0.030 2 1043 97 97 ASN C C 174.361 0.300 1 1044 97 97 ASN HB2 H 2.763 0.030 2 1045 98 98 LYS N N 118.175 0.300 1 1046 98 98 LYS H H 7.735 0.030 1 1047 98 98 LYS CA C 57.625 0.300 1 1048 98 98 LYS HA H 3.780 0.030 1 1049 98 98 LYS CB C 29.343 0.300 1 1050 98 98 LYS HB3 H 2.051 0.030 1 1051 98 98 LYS CG C 24.887 0.300 1 1052 98 98 LYS HG3 H 1.459 0.030 2 1053 98 98 LYS CD C 29.576 0.300 1 1054 98 98 LYS HD3 H 1.768 0.030 2 1055 98 98 LYS CE C 42.338 0.300 1 1056 98 98 LYS HE3 H 2.948 0.030 2 1057 98 98 LYS C C 174.779 0.300 1 1058 98 98 LYS HB2 H 2.051 0.030 1 1059 98 98 LYS HD2 H 1.676 0.030 2 1060 98 98 LYS HE2 H 3.008 0.030 2 1061 98 98 LYS HG2 H 1.293 0.030 2 1062 99 99 ALA N N 122.321 0.300 1 1063 99 99 ALA H H 8.454 0.030 1 1064 99 99 ALA CA C 49.893 0.300 1 1065 99 99 ALA HA H 4.415 0.030 1 1066 99 99 ALA CB C 18.125 0.300 1 1067 99 99 ALA HB H 1.125 0.030 1 1068 99 99 ALA C C 175.018 0.300 1 1069 100 100 PRO CA C 62.082 0.300 1 1070 100 100 PRO CB C 31.068 0.300 1 1071 100 100 PRO HB3 H 1.173 0.030 2 1072 100 100 PRO CG C 27.469 0.300 1 1073 100 100 PRO HG3 H 1.468 0.030 2 1074 100 100 PRO CD C 49.473 0.300 1 1075 100 100 PRO HD3 H 3.246 0.030 2 1076 100 100 PRO HB2 H 1.270 0.030 2 1077 100 100 PRO HD2 H 3.562 0.030 2 1078 100 100 PRO HG2 H 1.767 0.030 2 1079 101 101 LEU H H 5.223 0.030 1 1080 101 101 LEU CA C 55.181 0.300 1 1081 101 101 LEU HA H 3.758 0.030 1 1082 101 101 LEU CB C 43.103 0.300 1 1083 101 101 LEU HB3 H 1.151 0.030 2 1084 101 101 LEU CG C 27.011 0.300 1 1085 101 101 LEU HG H 1.272 0.030 1 1086 101 101 LEU CD1 C 26.502 0.300 2 1087 101 101 LEU HD1 H 0.903 0.030 1 1088 101 101 LEU CD2 C 24.302 0.300 2 1089 101 101 LEU HD2 H 0.840 0.030 1 1090 101 101 LEU C C 174.350 0.300 1 1091 101 101 LEU HB2 H 1.490 0.030 2 1092 102 102 ARG N N 122.304 0.300 1 1093 102 102 ARG H H 6.412 0.030 1 1094 102 102 ARG CA C 54.659 0.300 1 1095 102 102 ARG HA H 4.500 0.030 1 1096 102 102 ARG CB C 33.168 0.300 1 1097 102 102 ARG HB3 H 1.794 0.030 2 1098 102 102 ARG CG C 26.880 0.300 1 1099 102 102 ARG HG3 H 1.421 0.030 1 1100 102 102 ARG CD C 43.366 0.300 1 1101 102 102 ARG HD3 H 3.076 0.030 1 1102 102 102 ARG C C 173.625 0.300 1 1103 102 102 ARG HB2 H 1.395 0.030 2 1104 102 102 ARG HD2 H 3.076 0.030 1 1105 102 102 ARG HG2 H 1.421 0.030 1 1106 103 103 LEU N N 119.849 0.300 1 1107 103 103 LEU H H 8.301 0.030 1 1108 103 103 LEU CA C 53.667 0.300 1 1109 103 103 LEU HA H 4.886 0.030 1 1110 103 103 LEU CB C 47.097 0.300 1 1111 103 103 LEU HB3 H 1.539 0.030 2 1112 103 103 LEU CG C 27.132 0.300 1 1113 103 103 LEU HG H 1.299 0.030 1 1114 103 103 LEU CD1 C 24.495 0.300 2 1115 103 103 LEU HD1 H 0.704 0.030 1 1116 103 103 LEU CD2 C 25.850 0.300 2 1117 103 103 LEU HD2 H 0.715 0.030 1 1118 103 103 LEU C C 173.874 0.300 1 1119 103 103 LEU HB2 H 1.175 0.030 2 1120 104 104 LYS N N 126.165 0.300 1 1121 104 104 LYS H H 8.516 0.030 1 1122 104 104 LYS CA C 55.117 0.300 1 1123 104 104 LYS HA H 4.773 0.030 1 1124 104 104 LYS CB C 34.581 0.300 1 1125 104 104 LYS HB3 H 1.604 0.030 2 1126 104 104 LYS CG C 24.938 0.300 1 1127 104 104 LYS HG3 H 1.106 0.030 2 1128 104 104 LYS CD C 29.413 0.300 1 1129 104 104 LYS HD3 H 1.479 0.030 1 1130 104 104 LYS CE C 41.792 0.300 1 1131 104 104 LYS HE3 H 2.730 0.030 1 1132 104 104 LYS C C 174.980 0.300 1 1133 104 104 LYS HB2 H 1.521 0.030 2 1134 104 104 LYS HD2 H 1.479 0.030 1 1135 104 104 LYS HE2 H 2.730 0.030 1 1136 104 104 LYS HG2 H 1.041 0.030 2 1137 105 105 LEU N N 125.172 0.300 1 1138 105 105 LEU H H 8.586 0.030 1 1139 105 105 LEU CA C 53.059 0.300 1 1140 105 105 LEU HA H 4.923 0.030 1 1141 105 105 LEU CB C 44.358 0.300 1 1142 105 105 LEU HB3 H 0.622 0.030 1 1143 105 105 LEU CG C 27.239 0.300 1 1144 105 105 LEU HG H 1.173 0.030 1 1145 105 105 LEU CD1 C 26.117 0.300 2 1146 105 105 LEU HD1 H 0.642 0.030 1 1147 105 105 LEU CD2 C 23.901 0.300 2 1148 105 105 LEU HD2 H 0.568 0.030 1 1149 105 105 LEU C C 174.037 0.300 1 1150 105 105 LEU HB2 H 0.622 0.030 1 1151 106 106 ARG N N 119.880 0.300 1 1152 106 106 ARG H H 8.363 0.030 1 1153 106 106 ARG CA C 54.374 0.300 1 1154 106 106 ARG HA H 4.926 0.030 1 1155 106 106 ARG CB C 32.783 0.300 1 1156 106 106 ARG HB3 H 1.465 0.030 2 1157 106 106 ARG CG C 27.540 0.300 1 1158 106 106 ARG HG3 H 1.305 0.030 1 1159 106 106 ARG CD C 43.536 0.300 1 1160 106 106 ARG HD3 H 3.013 0.030 2 1161 106 106 ARG C C 174.611 0.300 1 1162 106 106 ARG HB2 H 1.603 0.030 2 1163 106 106 ARG HD2 H 2.961 0.030 2 1164 106 106 ARG HG2 H 1.305 0.030 1 1165 107 107 LEU N N 128.498 0.300 1 1166 107 107 LEU H H 9.260 0.030 1 1167 107 107 LEU CA C 52.942 0.300 1 1168 107 107 LEU HA H 5.110 0.030 1 1169 107 107 LEU CB C 45.279 0.300 1 1170 107 107 LEU HB3 H 1.361 0.030 2 1171 107 107 LEU CG C 27.116 0.300 1 1172 107 107 LEU HG H 1.370 0.030 1 1173 107 107 LEU CD1 C 25.003 0.300 2 1174 107 107 LEU HD1 H 0.346 0.030 1 1175 107 107 LEU CD2 C 25.099 0.300 2 1176 107 107 LEU HD2 H 0.539 0.030 1 1177 107 107 LEU C C 175.494 0.300 1 1178 107 107 LEU HB2 H 1.271 0.030 2 1179 108 108 THR N N 114.947 0.300 1 1180 108 108 THR H H 8.424 0.030 1 1181 108 108 THR CA C 59.201 0.300 1 1182 108 108 THR HA H 5.344 0.030 1 1183 108 108 THR CB C 71.413 0.300 1 1184 108 108 THR HB H 4.203 0.030 1 1185 108 108 THR CG2 C 21.430 0.300 1 1186 108 108 THR HG2 H 1.106 0.030 1 1187 108 108 THR C C 172.424 0.300 1 1188 109 109 TYR N N 114.691 0.300 1 1189 109 109 TYR H H 8.056 0.030 1 1190 109 109 TYR CA C 57.133 0.300 1 1191 109 109 TYR HA H 4.769 0.030 1 1192 109 109 TYR CB C 38.008 0.300 1 1193 109 109 TYR HB3 H 3.677 0.030 2 1194 109 109 TYR CD1 C 132.135 0.300 1 1195 109 109 TYR HD1 H 6.807 0.030 1 1196 109 109 TYR CD2 C 132.135 0.300 1 1197 109 109 TYR HD2 H 6.807 0.030 1 1198 109 109 TYR CE1 C 116.754 0.300 1 1199 109 109 TYR HE1 H 6.598 0.030 1 1200 109 109 TYR CE2 C 116.754 0.300 1 1201 109 109 TYR HE2 H 6.598 0.030 1 1202 109 109 TYR C C 171.790 0.300 1 1203 109 109 TYR HB2 H 3.026 0.030 2 1204 110 110 ASP N N 119.179 0.300 1 1205 110 110 ASP H H 9.332 0.030 1 1206 110 110 ASP CA C 53.147 0.300 1 1207 110 110 ASP HA H 5.855 0.030 1 1208 110 110 ASP CB C 42.179 0.300 1 1209 110 110 ASP HB3 H 2.435 0.030 2 1210 110 110 ASP C C 176.257 0.300 1 1211 110 110 ASP HB2 H 2.899 0.030 2 1212 111 111 HIS N N 122.092 0.300 1 1213 111 111 HIS H H 8.993 0.030 1 1214 111 111 HIS CA C 55.365 0.300 1 1215 111 111 HIS HA H 4.768 0.030 1 1216 111 111 HIS CB C 36.414 0.300 1 1217 111 111 HIS HB3 H 3.304 0.030 2 1218 111 111 HIS CD2 C 115.949 0.300 1 1219 111 111 HIS HD2 H 6.350 0.030 1 1220 111 111 HIS CE1 C 139.506 0.300 1 1221 111 111 HIS HE1 H 8.304 0.030 1 1222 111 111 HIS C C 175.420 0.300 1 1223 111 111 HIS HB2 H 3.146 0.030 2 1224 112 112 PHE N N 129.361 0.300 1 1225 112 112 PHE H H 10.128 0.030 1 1226 112 112 PHE CA C 59.353 0.300 1 1227 112 112 PHE HA H 3.972 0.030 1 1228 112 112 PHE CB C 36.136 0.300 1 1229 112 112 PHE HB3 H 2.824 0.030 2 1230 112 112 PHE CD1 C 131.393 0.300 1 1231 112 112 PHE HD1 H 6.731 0.030 1 1232 112 112 PHE CD2 C 131.393 0.300 1 1233 112 112 PHE HD2 H 6.731 0.030 1 1234 112 112 PHE CE1 C 130.660 0.300 1 1235 112 112 PHE HE1 H 7.120 0.030 1 1236 112 112 PHE CE2 C 130.660 0.300 1 1237 112 112 PHE HE2 H 7.120 0.030 1 1238 112 112 PHE CZ C 127.622 0.300 1 1239 112 112 PHE HZ H 7.177 0.030 1 1240 112 112 PHE C C 175.288 0.300 1 1241 112 112 PHE HB2 H 3.280 0.030 2 1242 113 113 HIS N N 109.753 0.300 1 1243 113 113 HIS H H 8.856 0.030 1 1244 113 113 HIS CA C 57.593 0.300 1 1245 113 113 HIS HA H 4.168 0.030 1 1246 113 113 HIS CB C 27.575 0.300 1 1247 113 113 HIS HB3 H 3.484 0.030 2 1248 113 113 HIS CD2 C 120.057 0.300 1 1249 113 113 HIS HD2 H 7.075 0.030 1 1250 113 113 HIS CE1 C 137.902 0.300 1 1251 113 113 HIS HE1 H 8.043 0.030 1 1252 113 113 HIS C C 174.146 0.300 1 1253 113 113 HIS HB2 H 3.421 0.030 2 1254 114 114 GLN N N 118.510 0.300 1 1255 114 114 GLN H H 7.930 0.030 1 1256 114 114 GLN CA C 54.303 0.300 1 1257 114 114 GLN HA H 4.674 0.030 1 1258 114 114 GLN CB C 31.548 0.300 1 1259 114 114 GLN HB3 H 2.111 0.030 1 1260 114 114 GLN CG C 33.804 0.300 1 1261 114 114 GLN HG3 H 2.376 0.030 1 1262 114 114 GLN NE2 N 112.246 0.300 1 1263 114 114 GLN HE21 H 6.948 0.030 2 1264 114 114 GLN HE22 H 7.511 0.030 2 1265 114 114 GLN C C 174.702 0.300 1 1266 114 114 GLN HB2 H 2.111 0.030 1 1267 114 114 GLN HG2 H 2.376 0.030 1 1268 115 115 SER N N 118.183 0.300 1 1269 115 115 SER H H 8.528 0.030 1 1270 115 115 SER CA C 57.665 0.300 1 1271 115 115 SER HA H 5.112 0.030 1 1272 115 115 SER CB C 63.266 0.300 1 1273 115 115 SER HB3 H 3.925 0.030 2 1274 115 115 SER C C 174.157 0.300 1 1275 115 115 SER HB2 H 3.651 0.030 2 1276 116 116 VAL N N 130.788 0.300 1 1277 116 116 VAL H H 9.445 0.030 1 1278 116 116 VAL CA C 62.375 0.300 1 1279 116 116 VAL HA H 3.870 0.030 1 1280 116 116 VAL CB C 32.564 0.300 1 1281 116 116 VAL HB H 0.788 0.030 1 1282 116 116 VAL CG1 C 20.881 0.300 2 1283 116 116 VAL HG1 H 0.688 0.030 1 1284 116 116 VAL CG2 C 21.135 0.300 2 1285 116 116 VAL HG2 H 0.735 0.030 1 1286 116 116 VAL C C 175.674 0.300 1 1287 117 117 GLN N N 127.278 0.300 1 1288 117 117 GLN H H 8.612 0.030 1 1289 117 117 GLN CA C 55.004 0.300 1 1290 117 117 GLN HA H 5.170 0.030 1 1291 117 117 GLN CB C 31.166 0.300 1 1292 117 117 GLN HB3 H 1.906 0.030 1 1293 117 117 GLN CG C 34.231 0.300 1 1294 117 117 GLN HG3 H 2.056 0.030 1 1295 117 117 GLN NE2 N 111.519 0.300 1 1296 117 117 GLN HE21 H 7.459 0.030 2 1297 117 117 GLN HE22 H 6.794 0.030 2 1298 117 117 GLN C C 174.229 0.300 1 1299 117 117 GLN HB2 H 1.906 0.030 1 1300 117 117 GLN HG2 H 2.056 0.030 1 1301 118 118 GLU N N 125.633 0.300 1 1302 118 118 GLU H H 8.960 0.030 1 1303 118 118 GLU CA C 54.799 0.300 1 1304 118 118 GLU HA H 4.869 0.030 1 1305 118 118 GLU CB C 33.675 0.300 1 1306 118 118 GLU HB3 H 1.592 0.030 2 1307 118 118 GLU CG C 35.205 0.300 1 1308 118 118 GLU HG3 H 2.198 0.030 2 1309 118 118 GLU C C 174.340 0.300 1 1310 118 118 GLU HB2 H 2.248 0.030 2 1311 118 118 GLU HG2 H 2.384 0.030 2 1312 119 119 ILE N N 123.525 0.300 1 1313 119 119 ILE H H 8.683 0.030 1 1314 119 119 ILE CA C 60.005 0.300 1 1315 119 119 ILE HA H 5.157 0.030 1 1316 119 119 ILE CB C 40.761 0.300 1 1317 119 119 ILE HB H 1.689 0.030 1 1318 119 119 ILE CG1 C 28.298 0.300 1 1319 119 119 ILE HG13 H 0.850 0.030 2 1320 119 119 ILE CG2 C 17.483 0.300 1 1321 119 119 ILE HG2 H 0.806 0.030 1 1322 119 119 ILE CD1 C 14.203 0.300 1 1323 119 119 ILE HD1 H 0.815 0.030 1 1324 119 119 ILE C C 175.386 0.300 1 1325 119 119 ILE HG12 H 1.479 0.030 2 1326 120 120 PHE N N 122.954 0.300 1 1327 120 120 PHE H H 8.647 0.030 1 1328 120 120 PHE CA C 55.754 0.300 1 1329 120 120 PHE HA H 5.064 0.030 1 1330 120 120 PHE CB C 39.904 0.300 1 1331 120 120 PHE HB3 H 3.117 0.030 2 1332 120 120 PHE CD1 C 133.084 0.300 1 1333 120 120 PHE HD1 H 6.972 0.030 1 1334 120 120 PHE CD2 C 133.084 0.300 1 1335 120 120 PHE HD2 H 6.972 0.030 1 1336 120 120 PHE CE1 C 130.295 0.300 1 1337 120 120 PHE HE1 H 6.865 0.030 1 1338 120 120 PHE CE2 C 130.295 0.300 1 1339 120 120 PHE HE2 H 6.865 0.030 1 1340 120 120 PHE CZ C 128.395 0.300 1 1341 120 120 PHE HZ H 6.718 0.030 1 1342 120 120 PHE C C 172.536 0.300 1 1343 120 120 PHE HB2 H 3.444 0.030 2 1344 121 121 GLU N N 120.205 0.300 1 1345 121 121 GLU H H 8.807 0.030 1 1346 121 121 GLU CA C 54.976 0.300 1 1347 121 121 GLU HA H 4.795 0.030 1 1348 121 121 GLU CB C 31.537 0.300 1 1349 121 121 GLU HB3 H 2.013 0.030 2 1350 121 121 GLU CG C 36.957 0.300 1 1351 121 121 GLU HG3 H 2.082 0.030 2 1352 121 121 GLU C C 175.979 0.300 1 1353 121 121 GLU HB2 H 1.897 0.030 2 1354 121 121 GLU HG2 H 2.212 0.030 2 1355 122 122 VAL N N 124.567 0.300 1 1356 122 122 VAL H H 8.818 0.030 1 1357 122 122 VAL CA C 62.536 0.300 1 1358 122 122 VAL HA H 4.300 0.030 1 1359 122 122 VAL CB C 32.136 0.300 1 1360 122 122 VAL HB H 2.119 0.030 1 1361 122 122 VAL CG1 C 22.946 0.300 2 1362 122 122 VAL HG1 H 1.096 0.030 1 1363 122 122 VAL CG2 C 21.443 0.300 2 1364 122 122 VAL HG2 H 1.038 0.030 1 1365 122 122 VAL C C 175.324 0.300 1 1366 123 123 ASN N N 125.013 0.300 1 1367 123 123 ASN H H 8.770 0.030 1 1368 123 123 ASN CA C 52.889 0.300 1 1369 123 123 ASN HA H 5.072 0.030 1 1370 123 123 ASN CB C 40.114 0.300 1 1371 123 123 ASN HB3 H 2.848 0.030 2 1372 123 123 ASN ND2 N 112.867 0.300 1 1373 123 123 ASN HD21 H 7.580 0.030 2 1374 123 123 ASN HD22 H 7.050 0.030 2 1375 123 123 ASN C C 174.799 0.300 1 1376 123 123 ASN HB2 H 2.777 0.030 2 1377 124 124 ASN N N 117.247 0.300 1 1378 124 124 ASN H H 8.599 0.030 1 1379 124 124 ASN CA C 52.853 0.300 1 1380 124 124 ASN HA H 4.721 0.030 1 1381 124 124 ASN CB C 36.882 0.300 1 1382 124 124 ASN HB3 H 2.941 0.030 2 1383 124 124 ASN ND2 N 111.821 0.300 1 1384 124 124 ASN HD21 H 6.847 0.030 2 1385 124 124 ASN HD22 H 7.583 0.030 2 1386 124 124 ASN C C 174.437 0.300 1 1387 124 124 ASN HB2 H 2.807 0.030 2 1388 125 125 LEU N N 119.273 0.300 1 1389 125 125 LEU H H 8.105 0.030 1 1390 125 125 LEU CA C 53.787 0.300 1 1391 125 125 LEU HA H 4.187 0.030 1 1392 125 125 LEU CB C 40.398 0.300 1 1393 125 125 LEU HB3 H 1.230 0.030 2 1394 125 125 LEU CG C 27.469 0.300 1 1395 125 125 LEU HG H 1.642 0.030 1 1396 125 125 LEU CD1 C 26.069 0.300 2 1397 125 125 LEU HD1 H 0.820 0.030 1 1398 125 125 LEU CD2 C 24.853 0.300 2 1399 125 125 LEU HD2 H 0.915 0.030 1 1400 125 125 LEU C C 175.528 0.300 1 1401 125 125 LEU HB2 H 1.739 0.030 2 1402 126 126 PRO CA C 62.439 0.300 1 1403 126 126 PRO HA H 4.519 0.030 1 1404 126 126 PRO CB C 31.210 0.300 1 1405 126 126 PRO HB3 H 2.273 0.030 2 1406 126 126 PRO CG C 27.428 0.300 1 1407 126 126 PRO HG3 H 1.815 0.030 2 1408 126 126 PRO CD C 50.262 0.300 1 1409 126 126 PRO HD3 H 3.584 0.030 2 1410 126 126 PRO C C 179.073 0.300 1 1411 126 126 PRO HB2 H 1.837 0.030 2 1412 126 126 PRO HD2 H 2.953 0.030 2 1413 126 126 PRO HG2 H 1.415 0.030 2 1414 127 127 VAL N N 124.759 0.300 1 1415 127 127 VAL H H 8.794 0.030 1 1416 127 127 VAL CA C 64.360 0.300 1 1417 127 127 VAL HA H 3.216 0.030 1 1418 127 127 VAL CB C 30.825 0.300 1 1419 127 127 VAL HB H 1.578 0.030 1 1420 127 127 VAL CG1 C 21.194 0.300 2 1421 127 127 VAL HG1 H 0.874 0.030 1 1422 127 127 VAL CG2 C 19.426 0.300 2 1423 127 127 VAL HG2 H 0.660 0.030 1 1424 127 127 VAL C C 176.789 0.300 1 1425 128 128 GLU N N 119.892 0.300 1 1426 128 128 GLU H H 9.460 0.030 1 1427 128 128 GLU CA C 59.216 0.300 1 1428 128 128 GLU HA H 3.831 0.030 1 1429 128 128 GLU CB C 29.188 0.300 1 1430 128 128 GLU HB3 H 1.900 0.030 2 1431 128 128 GLU CG C 37.019 0.300 1 1432 128 128 GLU HG3 H 2.492 0.030 2 1433 128 128 GLU C C 177.624 0.300 1 1434 128 128 GLU HB2 H 1.714 0.030 2 1435 128 128 GLU HG2 H 2.119 0.030 2 1436 129 129 SER N N 112.727 0.300 1 1437 129 129 SER H H 8.057 0.030 1 1438 129 129 SER CA C 61.024 0.300 1 1439 129 129 SER HA H 3.925 0.030 1 1440 129 129 SER CB C 64.440 0.300 1 1441 129 129 SER HB3 H 3.202 0.030 2 1442 129 129 SER C C 173.147 0.300 1 1443 129 129 SER HB2 H 4.046 0.030 2 1444 130 130 TRP N N 117.092 0.300 1 1445 130 130 TRP H H 7.184 0.030 1 1446 130 130 TRP CA C 57.027 0.300 1 1447 130 130 TRP HA H 4.974 0.030 1 1448 130 130 TRP CB C 31.384 0.300 1 1449 130 130 TRP HB3 H 2.806 0.030 2 1450 130 130 TRP CD1 C 127.756 0.300 1 1451 130 130 TRP HD1 H 7.005 0.030 1 1452 130 130 TRP NE1 N 130.732 0.300 1 1453 130 130 TRP HE1 H 10.632 0.030 1 1454 130 130 TRP CE3 C 122.434 0.300 1 1455 130 130 TRP HE3 H 7.019 0.030 1 1456 130 130 TRP CZ2 C 114.110 0.300 1 1457 130 130 TRP HZ2 H 7.484 0.030 1 1458 130 130 TRP CZ3 C 122.368 0.300 1 1459 130 130 TRP HZ3 H 7.206 0.030 1 1460 130 130 TRP CH2 C 124.822 0.300 1 1461 130 130 TRP HH2 H 7.218 0.030 1 1462 130 130 TRP C C 174.759 0.300 1 1463 130 130 TRP HB2 H 3.288 0.030 2 1464 131 131 GLN N N 125.549 0.300 1 1465 131 131 GLN H H 7.158 0.030 1 1466 131 131 GLN CA C 58.725 0.300 1 1467 131 131 GLN HA H 3.751 0.030 1 1468 131 131 GLN CB C 28.579 0.300 1 1469 131 131 GLN HB3 H 1.310 0.030 2 1470 131 131 GLN CG C 34.068 0.300 1 1471 131 131 GLN HG3 H 1.503 0.030 2 1472 131 131 GLN NE2 N 109.869 0.300 1 1473 131 131 GLN HE21 H 6.700 0.030 2 1474 131 131 GLN HE22 H 6.655 0.030 2 1475 131 131 GLN C C 181.259 0.300 1 1476 131 131 GLN HB2 H 1.484 0.030 2 1477 131 131 GLN HG2 H 1.727 0.030 2 stop_ save_