data_10055 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Glia Maturation Factor-gamma from Mus Musculus ; _BMRB_accession_number 10055 _BMRB_flat_file_name bmr10055.str _Entry_type original _Submission_date 2006-11-29 _Accession_date 2006-11-30 _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 Goroncy A. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Kobayashi N. . . 5 Tochio N. . . 6 Inoue M. . . 7 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" 929 "13C chemical shifts" 684 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Glia Maturation Factor-gamma from Mus Musculus' _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 Goroncy A. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Kobayashi N. . . 5 Tochio N. . . 6 Inoue M. . . 7 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 'Glia maturation factor gamma' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Glia maturation factor gamma' $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 COFILIN-ADF-domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; GSSGSSGSDSLVVCEVDPEL KETLRKFRFRKETNNAAIIM KVDKDRQMVVLEDELQNISP EELKLELPERQPRFVVYSYK YVHDDGRVSYPLCFIFSSPV GCKPEQQMMYAGSKNRLVQT AELTKVFEIRTTDDLTETWL KEKLASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 ASP 10 SER 11 LEU 12 VAL 13 VAL 14 CYS 15 GLU 16 VAL 17 ASP 18 PRO 19 GLU 20 LEU 21 LYS 22 GLU 23 THR 24 LEU 25 ARG 26 LYS 27 PHE 28 ARG 29 PHE 30 ARG 31 LYS 32 GLU 33 THR 34 ASN 35 ASN 36 ALA 37 ALA 38 ILE 39 ILE 40 MET 41 LYS 42 VAL 43 ASP 44 LYS 45 ASP 46 ARG 47 GLN 48 MET 49 VAL 50 VAL 51 LEU 52 GLU 53 ASP 54 GLU 55 LEU 56 GLN 57 ASN 58 ILE 59 SER 60 PRO 61 GLU 62 GLU 63 LEU 64 LYS 65 LEU 66 GLU 67 LEU 68 PRO 69 GLU 70 ARG 71 GLN 72 PRO 73 ARG 74 PHE 75 VAL 76 VAL 77 TYR 78 SER 79 TYR 80 LYS 81 TYR 82 VAL 83 HIS 84 ASP 85 ASP 86 GLY 87 ARG 88 VAL 89 SER 90 TYR 91 PRO 92 LEU 93 CYS 94 PHE 95 ILE 96 PHE 97 SER 98 SER 99 PRO 100 VAL 101 GLY 102 CYS 103 LYS 104 PRO 105 GLU 106 GLN 107 GLN 108 MET 109 MET 110 TYR 111 ALA 112 GLY 113 SER 114 LYS 115 ASN 116 ARG 117 LEU 118 VAL 119 GLN 120 THR 121 ALA 122 GLU 123 LEU 124 THR 125 LYS 126 VAL 127 PHE 128 GLU 129 ILE 130 ARG 131 THR 132 THR 133 ASP 134 ASP 135 LEU 136 THR 137 GLU 138 THR 139 TRP 140 LEU 141 LYS 142 GLU 143 LYS 144 LEU 145 ALA 146 SER 147 GLY 148 PRO 149 SER 150 SER 151 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1VKK "Crystal Structure Of Glia Maturation Factor-Gamma (Gmfg) From Mus Musculus At 1.50 A Resolution" 91.39 154 100.00 100.00 3.15e-96 PDB 1WFS "Solution Structure Of Glia Maturation Factor-Gamma From Mus Musculus" 100.00 151 100.00 100.00 3.94e-106 PDB 4JD2 "Crystal Structure Of Bos Taurus Arp2/3 Complex Binding With Mus Musculus Gmf" 91.39 142 100.00 100.00 7.41e-96 DBJ BAB22392 "unnamed protein product [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 DBJ BAB26617 "unnamed protein product [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 DBJ BAB29210 "unnamed protein product [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 DBJ BAC76941 "glia maturation factor-gamma [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 DBJ BAF76657 "glia maturation factor gamma [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 GB AAG22804 "glia maturation factor-gamma [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 GB AAH11488 "Glia maturation factor, gamma [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 GB EDL13977 "mCG128295, partial [Mus musculus]" 91.39 154 100.00 100.00 4.57e-96 GB EDL24135 "mCG2995 [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 GB EDM07890 "glia maturation factor, gamma, isoform CRA_a [Rattus norvegicus]" 91.39 142 97.10 98.55 1.15e-93 REF NP_001034281 "glia maturation factor gamma isoform a [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 REF NP_001277479 "glia maturation factor gamma isoform b [Mus musculus]" 64.90 101 100.00 100.00 7.40e-65 REF NP_071307 "glia maturation factor gamma isoform a [Mus musculus]" 91.39 142 100.00 100.00 7.41e-96 REF XP_006228668 "PREDICTED: glia maturation factor gamma isoform X1 [Rattus norvegicus]" 91.39 243 97.10 98.55 2.48e-91 REF XP_006540335 "PREDICTED: glia maturation factor gamma isoform X2 [Mus musculus]" 70.20 109 100.00 100.00 4.62e-71 SP Q9ERL7 "RecName: Full=Glia maturation factor gamma; Short=GMF-gamma" 91.39 142 100.00 100.00 7.41e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P030324-83 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 . 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 20031121 loop_ _Vendor _Address _Electronic_address 'DELAGLIO, FRANK' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.14 loop_ _Vendor _Address _Electronic_address 'JOHNSON, BRUCE, A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.899 loop_ _Vendor _Address _Electronic_address 'KOBAYASHI, NAOHIRO' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.26 loop_ _Vendor _Address _Electronic_address 'GUENTERT, P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ 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 'Glia maturation factor gamma' _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 1 1 GLY HA2 H 3.925 0.030 1 2 1 1 GLY HA3 H 3.925 0.030 1 3 1 1 GLY CA C 43.459 0.300 1 4 3 3 SER H H 9.111 0.030 1 5 3 3 SER HA H 5.483 0.030 1 6 3 3 SER HB2 H 4.313 0.030 1 7 3 3 SER HB3 H 4.313 0.030 1 8 3 3 SER CA C 55.714 0.300 1 9 3 3 SER N N 122.858 0.300 1 10 4 4 GLY H H 8.096 0.030 1 11 4 4 GLY HA2 H 3.828 0.030 2 12 4 4 GLY HA3 H 4.133 0.030 2 13 4 4 GLY C C 174.833 0.300 1 14 4 4 GLY CA C 44.580 0.300 1 15 4 4 GLY N N 110.188 0.300 1 16 5 5 SER H H 8.608 0.030 1 17 5 5 SER HA H 4.549 0.030 1 18 5 5 SER HB2 H 3.915 0.030 1 19 5 5 SER HB3 H 3.915 0.030 1 20 5 5 SER C C 174.884 0.300 1 21 5 5 SER CA C 58.286 0.300 1 22 5 5 SER CB C 64.103 0.300 1 23 5 5 SER N N 118.130 0.300 1 24 6 6 SER H H 8.510 0.030 1 25 6 6 SER HA H 4.556 0.030 1 26 6 6 SER HB2 H 3.928 0.030 1 27 6 6 SER HB3 H 3.928 0.030 1 28 6 6 SER C C 174.961 0.300 1 29 6 6 SER CA C 58.682 0.300 1 30 6 6 SER CB C 64.059 0.300 1 31 6 6 SER N N 118.020 0.300 1 32 7 7 GLY H H 8.480 0.030 1 33 7 7 GLY HA2 H 4.040 0.030 1 34 7 7 GLY HA3 H 4.040 0.030 1 35 7 7 GLY C C 174.423 0.300 1 36 7 7 GLY CA C 45.471 0.300 1 37 7 7 GLY N N 111.024 0.300 1 38 8 8 SER H H 8.293 0.030 1 39 8 8 SER HA H 4.490 0.030 1 40 8 8 SER HB2 H 3.899 0.030 1 41 8 8 SER HB3 H 3.899 0.030 1 42 8 8 SER C C 174.704 0.300 1 43 8 8 SER CA C 58.608 0.300 1 44 8 8 SER CB C 63.938 0.300 1 45 8 8 SER N N 115.751 0.300 1 46 9 9 ASP H H 8.432 0.030 1 47 9 9 ASP HA H 4.647 0.030 1 48 9 9 ASP HB2 H 2.669 0.030 2 49 9 9 ASP HB3 H 2.721 0.030 2 50 9 9 ASP C C 176.264 0.300 1 51 9 9 ASP CA C 54.642 0.300 1 52 9 9 ASP CB C 41.017 0.300 1 53 9 9 ASP N N 122.291 0.300 1 54 10 10 SER H H 8.139 0.030 1 55 10 10 SER HA H 4.426 0.030 1 56 10 10 SER HB2 H 3.851 0.030 1 57 10 10 SER HB3 H 3.851 0.030 1 58 10 10 SER C C 174.115 0.300 1 59 10 10 SER CA C 58.533 0.300 1 60 10 10 SER CB C 64.070 0.300 1 61 10 10 SER N N 115.294 0.300 1 62 11 11 LEU H H 8.092 0.030 1 63 11 11 LEU HA H 4.364 0.030 1 64 11 11 LEU HB2 H 1.573 0.030 2 65 11 11 LEU HB3 H 1.643 0.030 2 66 11 11 LEU HG H 1.599 0.030 1 67 11 11 LEU HD1 H 0.929 0.030 1 68 11 11 LEU HD2 H 0.883 0.030 1 69 11 11 LEU C C 176.737 0.300 1 70 11 11 LEU CA C 55.237 0.300 1 71 11 11 LEU CB C 42.481 0.300 1 72 11 11 LEU CG C 27.055 0.300 1 73 11 11 LEU CD1 C 24.984 0.300 2 74 11 11 LEU CD2 C 24.093 0.300 2 75 11 11 LEU N N 123.804 0.300 1 76 12 12 VAL H H 7.953 0.030 1 77 12 12 VAL HA H 4.055 0.030 1 78 12 12 VAL HB H 1.936 0.030 1 79 12 12 VAL HG1 H 0.828 0.030 1 80 12 12 VAL HG2 H 0.911 0.030 1 81 12 12 VAL C C 174.704 0.300 1 82 12 12 VAL CA C 62.200 0.300 1 83 12 12 VAL CB C 33.298 0.300 1 84 12 12 VAL CG1 C 21.138 0.300 2 85 12 12 VAL CG2 C 20.828 0.300 2 86 12 12 VAL N N 122.858 0.300 1 87 13 13 VAL H H 8.212 0.030 1 88 13 13 VAL HA H 3.914 0.030 1 89 13 13 VAL HB H 1.928 0.030 1 90 13 13 VAL HG1 H 0.901 0.030 1 91 13 13 VAL HG2 H 0.832 0.030 1 92 13 13 VAL C C 176.073 0.300 1 93 13 13 VAL CA C 61.940 0.300 1 94 13 13 VAL CB C 32.852 0.300 1 95 13 13 VAL CG1 C 20.828 0.300 2 96 13 13 VAL CG2 C 21.124 0.300 2 97 13 13 VAL N N 125.695 0.300 1 98 14 14 CYS H H 8.197 0.030 1 99 14 14 CYS HA H 4.356 0.030 1 100 14 14 CYS HB2 H 2.709 0.030 2 101 14 14 CYS HB3 H 2.394 0.030 2 102 14 14 CYS C C 174.269 0.300 1 103 14 14 CYS CA C 59.520 0.300 1 104 14 14 CYS CB C 28.733 0.300 1 105 14 14 CYS N N 124.474 0.300 1 106 15 15 GLU H H 7.671 0.030 1 107 15 15 GLU HA H 4.434 0.030 1 108 15 15 GLU HB2 H 1.957 0.030 2 109 15 15 GLU HB3 H 2.124 0.030 2 110 15 15 GLU HG2 H 2.464 0.030 2 111 15 15 GLU HG3 H 2.350 0.030 2 112 15 15 GLU C C 175.100 0.300 1 113 15 15 GLU CA C 54.824 0.300 1 114 15 15 GLU CB C 31.490 0.300 1 115 15 15 GLU CG C 36.067 0.300 1 116 15 15 GLU N N 120.667 0.300 1 117 16 16 VAL H H 9.004 0.030 1 118 16 16 VAL HA H 3.955 0.030 1 119 16 16 VAL HB H 1.870 0.030 1 120 16 16 VAL HG1 H 0.805 0.030 1 121 16 16 VAL HG2 H 0.805 0.030 1 122 16 16 VAL C C 175.139 0.300 1 123 16 16 VAL CA C 62.740 0.300 1 124 16 16 VAL CB C 32.110 0.300 1 125 16 16 VAL CG1 C 22.048 0.300 1 126 16 16 VAL CG2 C 22.048 0.300 1 127 16 16 VAL N N 121.535 0.300 1 128 17 17 ASP H H 8.507 0.030 1 129 17 17 ASP HA H 4.835 0.030 1 130 17 17 ASP HB2 H 2.885 0.030 2 131 17 17 ASP HB3 H 2.983 0.030 2 132 17 17 ASP C C 175.753 0.300 1 133 17 17 ASP CA C 53.246 0.300 1 134 17 17 ASP CB C 43.986 0.300 1 135 17 17 ASP N N 129.932 0.300 1 136 18 18 PRO HA H 4.183 0.030 1 137 18 18 PRO HB2 H 2.461 0.030 2 138 18 18 PRO HB3 H 2.091 0.030 2 139 18 18 PRO HG2 H 2.119 0.030 2 140 18 18 PRO HG3 H 2.210 0.030 2 141 18 18 PRO HD2 H 3.960 0.030 2 142 18 18 PRO HD3 H 4.056 0.030 2 143 18 18 PRO C C 179.662 0.300 1 144 18 18 PRO CA C 65.958 0.300 1 145 18 18 PRO CB C 32.249 0.300 1 146 18 18 PRO CG C 27.783 0.300 1 147 18 18 PRO CD C 51.360 0.300 1 148 19 19 GLU H H 8.516 0.030 1 149 19 19 GLU HA H 4.191 0.030 1 150 19 19 GLU HB2 H 2.120 0.030 1 151 19 19 GLU HB3 H 2.120 0.030 1 152 19 19 GLU HG2 H 2.412 0.030 2 153 19 19 GLU HG3 H 2.276 0.030 2 154 19 19 GLU C C 179.807 0.300 1 155 19 19 GLU CA C 59.277 0.300 1 156 19 19 GLU CB C 29.301 0.300 1 157 19 19 GLU CG C 36.712 0.300 1 158 19 19 GLU N N 118.469 0.300 1 159 20 20 LEU H H 7.725 0.030 1 160 20 20 LEU HA H 4.196 0.030 1 161 20 20 LEU HB2 H 2.280 0.030 2 162 20 20 LEU HB3 H 1.765 0.030 2 163 20 20 LEU HG H 1.361 0.030 1 164 20 20 LEU HD1 H 0.942 0.030 1 165 20 20 LEU HD2 H 0.800 0.030 1 166 20 20 LEU C C 178.132 0.300 1 167 20 20 LEU CA C 57.230 0.300 1 168 20 20 LEU CB C 40.774 0.300 1 169 20 20 LEU CG C 27.508 0.300 1 170 20 20 LEU CD1 C 22.164 0.300 2 171 20 20 LEU CD2 C 26.327 0.300 2 172 20 20 LEU N N 122.480 0.300 1 173 21 21 LYS H H 8.417 0.030 1 174 21 21 LYS HA H 3.677 0.030 1 175 21 21 LYS HB2 H 1.990 0.030 2 176 21 21 LYS HB3 H 1.889 0.030 2 177 21 21 LYS HG2 H 1.446 0.030 2 178 21 21 LYS HG3 H 1.228 0.030 2 179 21 21 LYS HD2 H 1.730 0.030 1 180 21 21 LYS HD3 H 1.730 0.030 1 181 21 21 LYS HE2 H 2.996 0.030 1 182 21 21 LYS HE3 H 2.996 0.030 1 183 21 21 LYS C C 178.925 0.300 1 184 21 21 LYS CA C 61.059 0.300 1 185 21 21 LYS CB C 32.191 0.300 1 186 21 21 LYS CG C 25.967 0.300 1 187 21 21 LYS CD C 29.918 0.300 1 188 21 21 LYS CE C 42.057 0.300 1 189 21 21 LYS N N 119.598 0.300 1 190 22 22 GLU H H 7.455 0.030 1 191 22 22 GLU HA H 4.379 0.030 1 192 22 22 GLU HB2 H 2.187 0.030 2 193 22 22 GLU HB3 H 2.122 0.030 2 194 22 22 GLU HG2 H 2.450 0.030 2 195 22 22 GLU HG3 H 2.360 0.030 2 196 22 22 GLU C C 178.439 0.300 1 197 22 22 GLU CA C 58.626 0.300 1 198 22 22 GLU CB C 28.994 0.300 1 199 22 22 GLU CG C 35.376 0.300 1 200 22 22 GLU N N 118.160 0.300 1 201 23 23 THR H H 8.243 0.030 1 202 23 23 THR HA H 3.924 0.030 1 203 23 23 THR HB H 4.366 0.030 1 204 23 23 THR HG2 H 1.216 0.030 1 205 23 23 THR C C 177.236 0.300 1 206 23 23 THR CA C 67.730 0.300 1 207 23 23 THR CB C 68.927 0.300 1 208 23 23 THR CG2 C 21.570 0.300 1 209 23 23 THR N N 119.644 0.300 1 210 24 24 LEU H H 8.857 0.030 1 211 24 24 LEU HA H 3.949 0.030 1 212 24 24 LEU HB2 H 1.985 0.030 2 213 24 24 LEU HB3 H 1.357 0.030 2 214 24 24 LEU HG H 1.706 0.030 1 215 24 24 LEU HD1 H 0.788 0.030 1 216 24 24 LEU HD2 H 0.723 0.030 1 217 24 24 LEU C C 178.388 0.300 1 218 24 24 LEU CA C 58.160 0.300 1 219 24 24 LEU CB C 42.043 0.300 1 220 24 24 LEU CG C 27.063 0.300 1 221 24 24 LEU CD1 C 22.686 0.300 2 222 24 24 LEU CD2 C 25.726 0.300 2 223 24 24 LEU N N 121.535 0.300 1 224 25 25 ARG H H 7.907 0.030 1 225 25 25 ARG HA H 4.026 0.030 1 226 25 25 ARG HB2 H 2.104 0.030 2 227 25 25 ARG HB3 H 2.014 0.030 2 228 25 25 ARG HG2 H 1.836 0.030 2 229 25 25 ARG HG3 H 1.708 0.030 2 230 25 25 ARG HD2 H 3.376 0.030 2 231 25 25 ARG HD3 H 3.192 0.030 2 232 25 25 ARG HE H 7.922 0.030 1 233 25 25 ARG C C 178.528 0.300 1 234 25 25 ARG CA C 59.966 0.300 1 235 25 25 ARG CB C 29.914 0.300 1 236 25 25 ARG CG C 27.251 0.300 1 237 25 25 ARG CD C 43.096 0.300 1 238 25 25 ARG N N 121.156 0.300 1 239 25 25 ARG NE N 107.729 0.300 1 240 26 26 LYS H H 8.117 0.030 1 241 26 26 LYS HA H 4.049 0.030 1 242 26 26 LYS HB2 H 1.969 0.030 1 243 26 26 LYS HB3 H 1.969 0.030 1 244 26 26 LYS HG2 H 1.749 0.030 2 245 26 26 LYS HG3 H 1.495 0.030 2 246 26 26 LYS HD2 H 1.760 0.030 1 247 26 26 LYS HD3 H 1.760 0.030 1 248 26 26 LYS HE2 H 3.014 0.030 1 249 26 26 LYS HE3 H 3.014 0.030 1 250 26 26 LYS C C 179.718 0.300 1 251 26 26 LYS CA C 59.520 0.300 1 252 26 26 LYS CB C 32.555 0.300 1 253 26 26 LYS CG C 25.875 0.300 1 254 26 26 LYS CD C 29.604 0.300 1 255 26 26 LYS CE C 41.984 0.300 1 256 26 26 LYS N N 116.885 0.300 1 257 27 27 PHE H H 8.241 0.030 1 258 27 27 PHE HA H 4.305 0.030 1 259 27 27 PHE HB2 H 3.383 0.030 2 260 27 27 PHE HB3 H 3.053 0.030 2 261 27 27 PHE HD1 H 7.161 0.030 1 262 27 27 PHE HD2 H 7.161 0.030 1 263 27 27 PHE HE1 H 7.114 0.030 1 264 27 27 PHE HE2 H 7.114 0.030 1 265 27 27 PHE HZ H 7.070 0.030 1 266 27 27 PHE C C 177.658 0.300 1 267 27 27 PHE CA C 61.344 0.300 1 268 27 27 PHE CB C 40.337 0.300 1 269 27 27 PHE CD1 C 131.575 0.300 1 270 27 27 PHE CD2 C 131.575 0.300 1 271 27 27 PHE CE1 C 131.129 0.300 1 272 27 27 PHE CE2 C 131.129 0.300 1 273 27 27 PHE CZ C 129.199 0.300 1 274 27 27 PHE N N 121.156 0.300 1 275 28 28 ARG H H 7.872 0.030 1 276 28 28 ARG HA H 3.922 0.030 1 277 28 28 ARG HB2 H 1.644 0.030 2 278 28 28 ARG HB3 H 1.808 0.030 2 279 28 28 ARG HG2 H 1.270 0.030 2 280 28 28 ARG HG3 H 1.337 0.030 2 281 28 28 ARG HD2 H 3.137 0.030 1 282 28 28 ARG HD3 H 3.137 0.030 1 283 28 28 ARG HE H 7.186 0.030 1 284 28 28 ARG C C 176.955 0.300 1 285 28 28 ARG CA C 58.310 0.300 1 286 28 28 ARG CB C 30.176 0.300 1 287 28 28 ARG CG C 27.211 0.300 1 288 28 28 ARG CD C 43.541 0.300 1 289 28 28 ARG N N 115.935 0.300 1 290 28 28 ARG NE N 109.053 0.300 1 291 29 29 PHE H H 7.324 0.030 1 292 29 29 PHE HA H 4.803 0.030 1 293 29 29 PHE HB2 H 2.752 0.030 2 294 29 29 PHE HB3 H 3.500 0.030 2 295 29 29 PHE HD1 H 7.428 0.030 1 296 29 29 PHE HD2 H 7.428 0.030 1 297 29 29 PHE HE1 H 7.344 0.030 1 298 29 29 PHE HE2 H 7.344 0.030 1 299 29 29 PHE HZ H 7.320 0.030 1 300 29 29 PHE C C 175.497 0.300 1 301 29 29 PHE CA C 56.820 0.300 1 302 29 29 PHE CB C 38.978 0.300 1 303 29 29 PHE CD1 C 132.168 0.300 1 304 29 29 PHE CD2 C 132.168 0.300 1 305 29 29 PHE CE1 C 131.129 0.300 1 306 29 29 PHE CE2 C 131.129 0.300 1 307 29 29 PHE CZ C 129.496 0.300 1 308 29 29 PHE N N 115.724 0.300 1 309 30 30 ARG H H 7.205 0.030 1 310 30 30 ARG HA H 4.275 0.030 1 311 30 30 ARG HB2 H 2.038 0.030 2 312 30 30 ARG HB3 H 1.794 0.030 2 313 30 30 ARG HG2 H 1.518 0.030 2 314 30 30 ARG HG3 H 1.379 0.030 2 315 30 30 ARG HD2 H 2.522 0.030 2 316 30 30 ARG HD3 H 2.712 0.030 2 317 30 30 ARG HE H 7.043 0.030 1 318 30 30 ARG C C 175.906 0.300 1 319 30 30 ARG CA C 56.755 0.300 1 320 30 30 ARG CB C 30.180 0.300 1 321 30 30 ARG CG C 26.617 0.300 1 322 30 30 ARG CD C 43.076 0.300 1 323 30 30 ARG N N 121.612 0.300 1 324 30 30 ARG NE N 108.297 0.300 1 325 31 31 LYS H H 8.625 0.030 1 326 31 31 LYS HA H 4.229 0.030 1 327 31 31 LYS HB2 H 1.703 0.030 2 328 31 31 LYS HB3 H 1.798 0.030 2 329 31 31 LYS HG2 H 1.464 0.030 2 330 31 31 LYS HG3 H 1.428 0.030 2 331 31 31 LYS HD2 H 1.668 0.030 1 332 31 31 LYS HD3 H 1.668 0.030 1 333 31 31 LYS HE2 H 3.021 0.030 1 334 31 31 LYS HE3 H 3.021 0.030 1 335 31 31 LYS C C 177.365 0.300 1 336 31 31 LYS CA C 55.863 0.300 1 337 31 31 LYS CB C 32.761 0.300 1 338 31 31 LYS CG C 24.687 0.300 1 339 31 31 LYS CD C 28.844 0.300 1 340 31 31 LYS CE C 42.205 0.300 1 341 31 31 LYS N N 121.156 0.300 1 342 32 32 GLU H H 7.936 0.030 1 343 32 32 GLU HA H 4.072 0.030 1 344 32 32 GLU HB2 H 1.952 0.030 2 345 32 32 GLU HB3 H 1.831 0.030 2 346 32 32 GLU HG2 H 2.180 0.030 2 347 32 32 GLU HG3 H 2.369 0.030 2 348 32 32 GLU C C 175.996 0.300 1 349 32 32 GLU CA C 57.621 0.300 1 350 32 32 GLU CB C 30.133 0.300 1 351 32 32 GLU CG C 37.009 0.300 1 352 32 32 GLU N N 120.778 0.300 1 353 33 33 THR H H 8.126 0.030 1 354 33 33 THR HA H 4.043 0.030 1 355 33 33 THR HB H 4.291 0.030 1 356 33 33 THR HG2 H 0.812 0.030 1 357 33 33 THR C C 174.486 0.300 1 358 33 33 THR CA C 60.506 0.300 1 359 33 33 THR CB C 68.927 0.300 1 360 33 33 THR CG2 C 21.047 0.300 1 361 33 33 THR N N 109.437 0.300 1 362 34 34 ASN H H 7.829 0.030 1 363 34 34 ASN HA H 4.676 0.030 1 364 34 34 ASN HB2 H 2.927 0.030 2 365 34 34 ASN HB3 H 3.016 0.030 2 366 34 34 ASN HD21 H 7.293 0.030 2 367 34 34 ASN HD22 H 7.435 0.030 2 368 34 34 ASN C C 174.077 0.300 1 369 34 34 ASN CA C 52.128 0.300 1 370 34 34 ASN CB C 38.891 0.300 1 371 34 34 ASN N N 118.887 0.300 1 372 34 34 ASN ND2 N 111.701 0.300 1 373 35 35 ASN H H 8.693 0.030 1 374 35 35 ASN HA H 5.218 0.030 1 375 35 35 ASN HB2 H 3.180 0.030 2 376 35 35 ASN HB3 H 2.923 0.030 2 377 35 35 ASN HD21 H 7.283 0.030 2 378 35 35 ASN HD22 H 7.016 0.030 2 379 35 35 ASN C C 175.855 0.300 1 380 35 35 ASN CA C 53.226 0.300 1 381 35 35 ASN CB C 38.891 0.300 1 382 35 35 ASN N N 121.535 0.300 1 383 35 35 ASN ND2 N 109.810 0.300 1 384 36 36 ALA H H 8.611 0.030 1 385 36 36 ALA HA H 5.178 0.030 1 386 36 36 ALA HB H 1.621 0.030 1 387 36 36 ALA C C 174.615 0.300 1 388 36 36 ALA CA C 52.333 0.300 1 389 36 36 ALA CB C 22.952 0.300 1 390 36 36 ALA N N 123.503 0.300 1 391 37 37 ALA H H 9.410 0.030 1 392 37 37 ALA HA H 5.981 0.030 1 393 37 37 ALA HB H 1.339 0.030 1 394 37 37 ALA C C 175.548 0.300 1 395 37 37 ALA CA C 50.266 0.300 1 396 37 37 ALA CB C 25.711 0.300 1 397 37 37 ALA N N 121.234 0.300 1 398 38 38 ILE H H 9.012 0.030 1 399 38 38 ILE HA H 4.515 0.030 1 400 38 38 ILE HB H 1.372 0.030 1 401 38 38 ILE HG12 H 0.470 0.030 2 402 38 38 ILE HG13 H 0.783 0.030 2 403 38 38 ILE HG2 H 0.678 0.030 1 404 38 38 ILE HD1 H 0.220 0.030 1 405 38 38 ILE C C 174.653 0.300 1 406 38 38 ILE CA C 60.450 0.300 1 407 38 38 ILE CB C 40.204 0.300 1 408 38 38 ILE CG1 C 27.251 0.300 1 409 38 38 ILE CG2 C 17.561 0.300 1 410 38 38 ILE CD1 C 13.405 0.300 1 411 38 38 ILE N N 120.478 0.300 1 412 39 39 ILE H H 9.076 0.030 1 413 39 39 ILE HA H 4.815 0.030 1 414 39 39 ILE HB H 1.797 0.030 1 415 39 39 ILE HG12 H 1.513 0.030 2 416 39 39 ILE HG13 H 0.936 0.030 2 417 39 39 ILE HG2 H 1.067 0.030 1 418 39 39 ILE HD1 H 0.751 0.030 1 419 39 39 ILE C C 175.932 0.300 1 420 39 39 ILE CA C 61.102 0.300 1 421 39 39 ILE CB C 38.939 0.300 1 422 39 39 ILE CG1 C 28.147 0.300 1 423 39 39 ILE CG2 C 18.134 0.300 1 424 39 39 ILE CD1 C 13.674 0.300 1 425 39 39 ILE N N 126.641 0.300 1 426 40 40 MET H H 9.713 0.030 1 427 40 40 MET HA H 5.160 0.030 1 428 40 40 MET HB2 H 2.184 0.030 2 429 40 40 MET HB3 H 2.044 0.030 2 430 40 40 MET HG2 H 2.475 0.030 2 431 40 40 MET HG3 H 2.158 0.030 2 432 40 40 MET HE H 1.857 0.030 1 433 40 40 MET C C 173.323 0.300 1 434 40 40 MET CA C 54.996 0.300 1 435 40 40 MET CB C 38.663 0.300 1 436 40 40 MET CG C 32.258 0.300 1 437 40 40 MET CE C 17.710 0.300 1 438 40 40 MET N N 127.019 0.300 1 439 41 41 LYS H H 8.874 0.030 1 440 41 41 LYS HA H 5.438 0.030 1 441 41 41 LYS HB2 H 1.456 0.030 2 442 41 41 LYS HB3 H 2.026 0.030 2 443 41 41 LYS HG2 H 1.166 0.030 2 444 41 41 LYS HG3 H 0.903 0.030 2 445 41 41 LYS HD2 H 1.578 0.030 1 446 41 41 LYS HD3 H 1.578 0.030 1 447 41 41 LYS HE2 H 2.842 0.030 1 448 41 41 LYS HE3 H 2.842 0.030 1 449 41 41 LYS C C 173.591 0.300 1 450 41 41 LYS CA C 52.966 0.300 1 451 41 41 LYS CB C 36.861 0.300 1 452 41 41 LYS CG C 24.093 0.300 1 453 41 41 LYS CD C 29.735 0.300 1 454 41 41 LYS CE C 42.353 0.300 1 455 41 41 LYS N N 117.263 0.300 1 456 42 42 VAL H H 7.736 0.030 1 457 42 42 VAL HA H 4.176 0.030 1 458 42 42 VAL HB H 1.316 0.030 1 459 42 42 VAL HG1 H 0.003 0.030 1 460 42 42 VAL HG2 H 0.579 0.030 1 461 42 42 VAL C C 175.599 0.300 1 462 42 42 VAL CA C 61.977 0.300 1 463 42 42 VAL CB C 33.743 0.300 1 464 42 42 VAL CG1 C 20.338 0.300 2 465 42 42 VAL CG2 C 21.819 0.300 2 466 42 42 VAL N N 117.831 0.300 1 467 43 43 ASP H H 9.177 0.030 1 468 43 43 ASP HA H 4.777 0.030 1 469 43 43 ASP HB2 H 2.927 0.030 2 470 43 43 ASP HB3 H 2.430 0.030 2 471 43 43 ASP C C 176.405 0.300 1 472 43 43 ASP CA C 52.780 0.300 1 473 43 43 ASP CB C 42.394 0.300 1 474 43 43 ASP N N 129.099 0.300 1 475 44 44 LYS H H 8.821 0.030 1 476 44 44 LYS HA H 3.819 0.030 1 477 44 44 LYS HB2 H 1.823 0.030 2 478 44 44 LYS HB3 H 1.911 0.030 2 479 44 44 LYS HG2 H 1.435 0.030 1 480 44 44 LYS HG3 H 1.435 0.030 1 481 44 44 LYS HD2 H 1.701 0.030 1 482 44 44 LYS HD3 H 1.701 0.030 1 483 44 44 LYS HE2 H 3.020 0.030 1 484 44 44 LYS HE3 H 3.020 0.030 1 485 44 44 LYS C C 177.556 0.300 1 486 44 44 LYS CA C 59.203 0.300 1 487 44 44 LYS CB C 32.704 0.300 1 488 44 44 LYS CG C 24.597 0.300 1 489 44 44 LYS CD C 29.604 0.300 1 490 44 44 LYS CE C 42.205 0.300 1 491 44 44 LYS N N 126.822 0.300 1 492 45 45 ASP H H 8.215 0.030 1 493 45 45 ASP HA H 4.495 0.030 1 494 45 45 ASP HB2 H 2.715 0.030 2 495 45 45 ASP HB3 H 2.789 0.030 2 496 45 45 ASP C C 177.966 0.300 1 497 45 45 ASP CA C 57.285 0.300 1 498 45 45 ASP CB C 40.773 0.300 1 499 45 45 ASP N N 119.287 0.300 1 500 46 46 ARG H H 7.786 0.030 1 501 46 46 ARG HA H 4.259 0.030 1 502 46 46 ARG HB2 H 1.987 0.030 2 503 46 46 ARG HB3 H 1.303 0.030 2 504 46 46 ARG HG2 H 1.607 0.030 2 505 46 46 ARG HG3 H 1.750 0.030 2 506 46 46 ARG HD2 H 3.241 0.030 2 507 46 46 ARG HD3 H 3.091 0.030 2 508 46 46 ARG HE H 7.161 0.030 1 509 46 46 ARG C C 175.382 0.300 1 510 46 46 ARG CA C 56.149 0.300 1 511 46 46 ARG CB C 31.961 0.300 1 512 46 46 ARG CG C 27.805 0.300 1 513 46 46 ARG CD C 43.987 0.300 1 514 46 46 ARG N N 116.428 0.300 1 515 46 46 ARG NE N 108.675 0.300 1 516 47 47 GLN H H 8.045 0.030 1 517 47 47 GLN HA H 3.676 0.030 1 518 47 47 GLN HB2 H 2.192 0.030 2 519 47 47 GLN HB3 H 2.270 0.030 2 520 47 47 GLN HG2 H 2.264 0.030 1 521 47 47 GLN HG3 H 2.264 0.030 1 522 47 47 GLN HE21 H 7.547 0.030 2 523 47 47 GLN HE22 H 6.709 0.030 2 524 47 47 GLN C C 174.602 0.300 1 525 47 47 GLN CA C 56.902 0.300 1 526 47 47 GLN CB C 25.930 0.300 1 527 47 47 GLN CG C 34.634 0.300 1 528 47 47 GLN N N 117.074 0.300 1 529 47 47 GLN NE2 N 111.512 0.300 1 530 48 48 MET H H 7.448 0.030 1 531 48 48 MET HA H 5.451 0.030 1 532 48 48 MET HB2 H 1.790 0.030 2 533 48 48 MET HB3 H 1.523 0.030 2 534 48 48 MET HG2 H 2.373 0.030 2 535 48 48 MET HG3 H 2.459 0.030 2 536 48 48 MET HE H 2.074 0.030 1 537 48 48 MET C C 174.703 0.300 1 538 48 48 MET CA C 53.487 0.300 1 539 48 48 MET CB C 39.236 0.300 1 540 48 48 MET CG C 32.407 0.300 1 541 48 48 MET CE C 17.264 0.300 1 542 48 48 MET N N 115.105 0.300 1 543 49 49 VAL H H 9.077 0.030 1 544 49 49 VAL HA H 4.499 0.030 1 545 49 49 VAL HB H 1.872 0.030 1 546 49 49 VAL HG1 H 0.961 0.030 1 547 49 49 VAL HG2 H 0.831 0.030 1 548 49 49 VAL C C 174.679 0.300 1 549 49 49 VAL CA C 62.536 0.300 1 550 49 49 VAL CB C 32.110 0.300 1 551 49 49 VAL CG1 C 22.906 0.300 2 552 49 49 VAL CG2 C 21.502 0.300 2 553 49 49 VAL N N 124.371 0.300 1 554 50 50 VAL H H 9.140 0.030 1 555 50 50 VAL HA H 4.841 0.030 1 556 50 50 VAL HB H 2.361 0.030 1 557 50 50 VAL HG1 H 0.917 0.030 1 558 50 50 VAL HG2 H 0.736 0.030 1 559 50 50 VAL C C 175.216 0.300 1 560 50 50 VAL CA C 59.129 0.300 1 561 50 50 VAL CB C 35.970 0.300 1 562 50 50 VAL CG1 C 21.718 0.300 2 563 50 50 VAL CG2 C 19.194 0.300 2 564 50 50 VAL N N 118.130 0.300 1 565 51 51 LEU H H 9.024 0.030 1 566 51 51 LEU HA H 4.002 0.030 1 567 51 51 LEU HB2 H 1.879 0.030 2 568 51 51 LEU HB3 H 1.444 0.030 2 569 51 51 LEU HG H 1.358 0.030 1 570 51 51 LEU HD1 H 0.889 0.030 1 571 51 51 LEU HD2 H 0.889 0.030 1 572 51 51 LEU C C 175.676 0.300 1 573 51 51 LEU CA C 56.615 0.300 1 574 51 51 LEU CB C 43.392 0.300 1 575 51 51 LEU CG C 27.360 0.300 1 576 51 51 LEU CD1 C 25.875 0.300 1 577 51 51 LEU CD2 C 25.875 0.300 1 578 51 51 LEU N N 123.237 0.300 1 579 52 52 GLU H H 9.526 0.030 1 580 52 52 GLU HA H 4.647 0.030 1 581 52 52 GLU HB2 H 1.478 0.030 2 582 52 52 GLU HB3 H 2.008 0.030 2 583 52 52 GLU HG2 H 2.110 0.030 2 584 52 52 GLU HG3 H 2.252 0.030 2 585 52 52 GLU C C 175.011 0.300 1 586 52 52 GLU CA C 57.546 0.300 1 587 52 52 GLU CB C 32.410 0.300 1 588 52 52 GLU CG C 37.068 0.300 1 589 52 52 GLU N N 128.153 0.300 1 590 53 53 ASP H H 8.072 0.030 1 591 53 53 ASP HA H 4.910 0.030 1 592 53 53 ASP HB2 H 2.381 0.030 2 593 53 53 ASP HB3 H 2.497 0.030 2 594 53 53 ASP C C 173.476 0.300 1 595 53 53 ASP CA C 53.636 0.300 1 596 53 53 ASP CB C 45.197 0.300 1 597 53 53 ASP N N 115.105 0.300 1 598 54 54 GLU H H 8.729 0.030 1 599 54 54 GLU HA H 5.077 0.030 1 600 54 54 GLU HB2 H 1.901 0.030 2 601 54 54 GLU HB3 H 2.056 0.030 2 602 54 54 GLU HG2 H 2.243 0.030 2 603 54 54 GLU HG3 H 2.048 0.030 2 604 54 54 GLU C C 174.473 0.300 1 605 54 54 GLU CA C 55.330 0.300 1 606 54 54 GLU CB C 32.455 0.300 1 607 54 54 GLU CG C 36.613 0.300 1 608 54 54 GLU N N 121.801 0.300 1 609 55 55 LEU H H 9.135 0.030 1 610 55 55 LEU HA H 4.904 0.030 1 611 55 55 LEU HB2 H 1.559 0.030 1 612 55 55 LEU HB3 H 1.559 0.030 1 613 55 55 LEU HG H 1.445 0.030 1 614 55 55 LEU HD1 H 0.872 0.030 1 615 55 55 LEU HD2 H 0.786 0.030 1 616 55 55 LEU C C 175.919 0.300 1 617 55 55 LEU CA C 53.562 0.300 1 618 55 55 LEU CB C 45.415 0.300 1 619 55 55 LEU CG C 27.508 0.300 1 620 55 55 LEU CD1 C 23.796 0.300 2 621 55 55 LEU CD2 C 26.320 0.300 2 622 55 55 LEU N N 125.205 0.300 1 623 56 56 GLN H H 8.871 0.030 1 624 56 56 GLN HA H 4.765 0.030 1 625 56 56 GLN HB2 H 1.979 0.030 2 626 56 56 GLN HB3 H 2.141 0.030 2 627 56 56 GLN HG2 H 2.447 0.030 2 628 56 56 GLN HG3 H 2.395 0.030 2 629 56 56 GLN HE21 H 7.674 0.030 2 630 56 56 GLN HE22 H 6.792 0.030 2 631 56 56 GLN C C 175.369 0.300 1 632 56 56 GLN CA C 54.995 0.300 1 633 56 56 GLN CB C 31.665 0.300 1 634 56 56 GLN CG C 33.427 0.300 1 635 56 56 GLN N N 119.454 0.300 1 636 56 56 GLN NE2 N 112.079 0.300 1 637 57 57 ASN H H 8.722 0.030 1 638 57 57 ASN HA H 4.575 0.030 1 639 57 57 ASN HB2 H 3.051 0.030 2 640 57 57 ASN HB3 H 3.126 0.030 2 641 57 57 ASN HD21 H 7.131 0.030 2 642 57 57 ASN HD22 H 7.857 0.030 2 643 57 57 ASN C C 173.795 0.300 1 644 57 57 ASN CA C 54.660 0.300 1 645 57 57 ASN CB C 36.712 0.300 1 646 57 57 ASN N N 116.885 0.300 1 647 57 57 ASN ND2 N 115.483 0.300 1 648 58 58 ILE H H 7.193 0.030 1 649 58 58 ILE HA H 5.052 0.030 1 650 58 58 ILE HB H 1.747 0.030 1 651 58 58 ILE HG12 H 1.292 0.030 2 652 58 58 ILE HG13 H 1.581 0.030 2 653 58 58 ILE HG2 H 0.931 0.030 1 654 58 58 ILE HD1 H 0.804 0.030 1 655 58 58 ILE C C 174.538 0.300 1 656 58 58 ILE CA C 58.533 0.300 1 657 58 58 ILE CB C 41.611 0.300 1 658 58 58 ILE CG1 C 28.844 0.300 1 659 58 58 ILE CG2 C 17.406 0.300 1 660 58 58 ILE CD1 C 15.038 0.300 1 661 58 58 ILE N N 114.427 0.300 1 662 59 59 SER H H 9.252 0.030 1 663 59 59 SER HA H 4.884 0.030 1 664 59 59 SER HB2 H 4.066 0.030 2 665 59 59 SER HB3 H 4.555 0.030 2 666 59 59 SER C C 173.269 0.300 1 667 59 59 SER CA C 56.902 0.300 1 668 59 59 SER CB C 63.509 0.300 1 669 59 59 SER N N 125.961 0.300 1 670 60 60 PRO HA H 3.774 0.030 1 671 60 60 PRO HB2 H 1.800 0.030 2 672 60 60 PRO HB3 H 1.637 0.030 2 673 60 60 PRO HG2 H 1.930 0.030 2 674 60 60 PRO HG3 H 1.875 0.030 2 675 60 60 PRO HD2 H 4.023 0.030 2 676 60 60 PRO HD3 H 4.290 0.030 2 677 60 60 PRO C C 176.392 0.300 1 678 60 60 PRO CA C 66.352 0.300 1 679 60 60 PRO CB C 30.940 0.300 1 680 60 60 PRO CG C 29.141 0.300 1 681 60 60 PRO CD C 50.073 0.300 1 682 61 61 GLU H H 8.736 0.030 1 683 61 61 GLU HA H 3.990 0.030 1 684 61 61 GLU HB2 H 1.957 0.030 2 685 61 61 GLU HB3 H 2.101 0.030 2 686 61 61 GLU HG2 H 2.362 0.030 2 687 61 61 GLU HG3 H 2.602 0.030 2 688 61 61 GLU C C 179.181 0.300 1 689 61 61 GLU CA C 60.209 0.300 1 690 61 61 GLU CB C 28.819 0.300 1 691 61 61 GLU CG C 37.706 0.300 1 692 61 61 GLU N N 114.976 0.300 1 693 62 62 GLU H H 7.565 0.030 1 694 62 62 GLU HA H 3.984 0.030 1 695 62 62 GLU HB2 H 2.339 0.030 2 696 62 62 GLU HB3 H 1.999 0.030 2 697 62 62 GLU HG2 H 2.324 0.030 1 698 62 62 GLU HG3 H 2.324 0.030 1 699 62 62 GLU C C 179.514 0.300 1 700 62 62 GLU CA C 58.608 0.300 1 701 62 62 GLU CB C 30.264 0.300 1 702 62 62 GLU CG C 37.306 0.300 1 703 62 62 GLU N N 118.887 0.300 1 704 63 63 LEU H H 8.424 0.030 1 705 63 63 LEU HA H 3.719 0.030 1 706 63 63 LEU HB2 H 1.830 0.030 2 707 63 63 LEU HB3 H 1.074 0.030 2 708 63 63 LEU HG H 1.154 0.030 1 709 63 63 LEU HD1 H 0.147 0.030 1 710 63 63 LEU HD2 H 0.500 0.030 1 711 63 63 LEU C C 177.991 0.300 1 712 63 63 LEU CA C 57.844 0.300 1 713 63 63 LEU CB C 41.168 0.300 1 714 63 63 LEU CG C 26.766 0.300 1 715 63 63 LEU CD1 C 24.836 0.300 2 716 63 63 LEU CD2 C 22.959 0.300 2 717 63 63 LEU N N 122.683 0.300 1 718 64 64 LYS H H 7.917 0.030 1 719 64 64 LYS HA H 3.575 0.030 1 720 64 64 LYS HB2 H 2.050 0.030 2 721 64 64 LYS HB3 H 1.945 0.030 2 722 64 64 LYS HG2 H 1.518 0.030 2 723 64 64 LYS HG3 H 1.263 0.030 2 724 64 64 LYS HD2 H 1.667 0.030 2 725 64 64 LYS HD3 H 1.570 0.030 2 726 64 64 LYS HE2 H 2.870 0.030 1 727 64 64 LYS HE3 H 2.870 0.030 1 728 64 64 LYS C C 178.234 0.300 1 729 64 64 LYS CA C 60.019 0.300 1 730 64 64 LYS CB C 31.368 0.300 1 731 64 64 LYS CG C 24.242 0.300 1 732 64 64 LYS CD C 29.883 0.300 1 733 64 64 LYS CE C 42.353 0.300 1 734 64 64 LYS N N 117.341 0.300 1 735 65 65 LEU H H 6.994 0.030 1 736 65 65 LEU HA H 4.061 0.030 1 737 65 65 LEU HB2 H 1.892 0.030 2 738 65 65 LEU HB3 H 1.580 0.030 2 739 65 65 LEU HG H 1.840 0.030 1 740 65 65 LEU HD1 H 0.950 0.030 1 741 65 65 LEU HD2 H 0.863 0.030 1 742 65 65 LEU C C 178.234 0.300 1 743 65 65 LEU CA C 56.392 0.300 1 744 65 65 LEU CB C 41.825 0.300 1 745 65 65 LEU CG C 26.766 0.300 1 746 65 65 LEU CD1 C 25.416 0.300 2 747 65 65 LEU CD2 C 22.503 0.300 2 748 65 65 LEU N N 115.964 0.300 1 749 66 66 GLU H H 7.525 0.030 1 750 66 66 GLU HA H 4.233 0.030 1 751 66 66 GLU HB2 H 1.775 0.030 2 752 66 66 GLU HB3 H 2.191 0.030 2 753 66 66 GLU HG2 H 2.319 0.030 2 754 66 66 GLU HG3 H 2.154 0.030 2 755 66 66 GLU C C 176.558 0.300 1 756 66 66 GLU CA C 55.703 0.300 1 757 66 66 GLU CB C 29.438 0.300 1 758 66 66 GLU CG C 34.485 0.300 1 759 66 66 GLU N N 116.618 0.300 1 760 67 67 LEU H H 7.117 0.030 1 761 67 67 LEU HA H 4.486 0.030 1 762 67 67 LEU HB2 H 1.659 0.030 2 763 67 67 LEU HB3 H 1.147 0.030 2 764 67 67 LEU HG H 1.787 0.030 1 765 67 67 LEU HD1 H 0.581 0.030 1 766 67 67 LEU HD2 H 0.624 0.030 1 767 67 67 LEU C C 174.549 0.300 1 768 67 67 LEU CA C 52.021 0.300 1 769 67 67 LEU CB C 41.273 0.300 1 770 67 67 LEU CG C 25.875 0.300 1 771 67 67 LEU CD1 C 25.281 0.300 2 772 67 67 LEU CD2 C 22.610 0.300 2 773 67 67 LEU N N 118.887 0.300 1 774 68 68 PRO HA H 4.415 0.030 1 775 68 68 PRO HB2 H 2.293 0.030 2 776 68 68 PRO HB3 H 1.851 0.030 2 777 68 68 PRO HG2 H 1.940 0.030 2 778 68 68 PRO HG3 H 1.816 0.030 2 779 68 68 PRO HD2 H 3.452 0.030 2 780 68 68 PRO HD3 H 3.979 0.030 2 781 68 68 PRO C C 177.005 0.300 1 782 68 68 PRO CA C 62.282 0.300 1 783 68 68 PRO CB C 31.961 0.300 1 784 68 68 PRO CG C 26.873 0.300 1 785 68 68 PRO CD C 50.221 0.300 1 786 69 69 GLU H H 8.676 0.030 1 787 69 69 GLU HA H 4.004 0.030 1 788 69 69 GLU HB2 H 1.953 0.030 1 789 69 69 GLU HB3 H 1.953 0.030 1 790 69 69 GLU HG2 H 2.339 0.030 2 791 69 69 GLU HG3 H 2.201 0.030 2 792 69 69 GLU C C 177.991 0.300 1 793 69 69 GLU CA C 58.386 0.300 1 794 69 69 GLU CB C 30.703 0.300 1 795 69 69 GLU CG C 36.712 0.300 1 796 69 69 GLU N N 120.460 0.300 1 797 70 70 ARG H H 8.380 0.030 1 798 70 70 ARG HA H 4.258 0.030 1 799 70 70 ARG HB2 H 2.059 0.030 2 800 70 70 ARG HB3 H 1.544 0.030 2 801 70 70 ARG HG2 H 1.498 0.030 1 802 70 70 ARG HG3 H 1.498 0.030 1 803 70 70 ARG HD2 H 3.197 0.030 2 804 70 70 ARG HD3 H 3.119 0.030 2 805 70 70 ARG HE H 7.466 0.030 1 806 70 70 ARG CA C 54.623 0.300 1 807 70 70 ARG CB C 31.184 0.300 1 808 70 70 ARG CG C 27.805 0.300 1 809 70 70 ARG CD C 43.258 0.300 1 810 70 70 ARG N N 113.592 0.300 1 811 70 70 ARG NE N 108.675 0.300 1 812 71 71 GLN H H 6.732 0.030 1 813 71 71 GLN HA H 4.841 0.030 1 814 71 71 GLN HB2 H 1.434 0.030 2 815 71 71 GLN HB3 H 1.989 0.030 2 816 71 71 GLN HG2 H 2.484 0.030 2 817 71 71 GLN HG3 H 2.419 0.030 2 818 71 71 GLN HE21 H 7.103 0.030 2 819 71 71 GLN HE22 H 7.609 0.030 2 820 71 71 GLN C C 171.143 0.300 1 821 71 71 GLN CA C 53.321 0.300 1 822 71 71 GLN CB C 32.258 0.300 1 823 71 71 GLN CG C 33.595 0.300 1 824 71 71 GLN N N 115.184 0.300 1 825 71 71 GLN NE2 N 113.025 0.300 1 826 72 72 PRO HA H 4.765 0.030 1 827 72 72 PRO HB2 H 0.046 0.030 2 828 72 72 PRO HB3 H 2.088 0.030 2 829 72 72 PRO HG2 H 1.677 0.030 2 830 72 72 PRO HG3 H 1.283 0.030 2 831 72 72 PRO HD2 H 3.729 0.030 2 832 72 72 PRO HD3 H 3.082 0.030 2 833 72 72 PRO C C 175.421 0.300 1 834 72 72 PRO CA C 60.489 0.300 1 835 72 72 PRO CB C 30.922 0.300 1 836 72 72 PRO CG C 27.211 0.300 1 837 72 72 PRO CD C 50.370 0.300 1 838 73 73 ARG H H 8.622 0.030 1 839 73 73 ARG HA H 4.562 0.030 1 840 73 73 ARG HB2 H 1.678 0.030 2 841 73 73 ARG HB3 H 1.814 0.030 2 842 73 73 ARG HG2 H 1.293 0.030 1 843 73 73 ARG HG3 H 1.293 0.030 1 844 73 73 ARG HD2 H 2.981 0.030 1 845 73 73 ARG HD3 H 2.981 0.030 1 846 73 73 ARG HE H 9.344 0.030 1 847 73 73 ARG C C 175.088 0.300 1 848 73 73 ARG CA C 53.879 0.300 1 849 73 73 ARG CB C 38.642 0.300 1 850 73 73 ARG CG C 29.325 0.300 1 851 73 73 ARG CD C 42.947 0.300 1 852 73 73 ARG N N 114.616 0.300 1 853 73 73 ARG NE N 110.755 0.300 1 854 74 74 PHE H H 8.021 0.030 1 855 74 74 PHE HA H 5.558 0.030 1 856 74 74 PHE HB2 H 2.939 0.030 1 857 74 74 PHE HB3 H 2.939 0.030 1 858 74 74 PHE HD1 H 7.030 0.030 1 859 74 74 PHE HD2 H 7.030 0.030 1 860 74 74 PHE HE1 H 6.534 0.030 1 861 74 74 PHE HE2 H 6.534 0.030 1 862 74 74 PHE HZ H 7.626 0.030 1 863 74 74 PHE C C 174.269 0.300 1 864 74 74 PHE CA C 54.213 0.300 1 865 74 74 PHE CB C 42.394 0.300 1 866 74 74 PHE CD1 C 131.407 0.300 1 867 74 74 PHE CD2 C 131.407 0.300 1 868 74 74 PHE CE1 C 130.981 0.300 1 869 74 74 PHE CE2 C 130.981 0.300 1 870 74 74 PHE CZ C 130.802 0.300 1 871 74 74 PHE N N 116.507 0.300 1 872 75 75 VAL H H 8.833 0.030 1 873 75 75 VAL HA H 5.221 0.030 1 874 75 75 VAL HB H 2.049 0.030 1 875 75 75 VAL HG1 H 0.838 0.030 1 876 75 75 VAL HG2 H 0.838 0.030 1 877 75 75 VAL C C 175.279 0.300 1 878 75 75 VAL CA C 60.078 0.300 1 879 75 75 VAL CB C 36.267 0.300 1 880 75 75 VAL CG1 C 22.017 0.300 1 881 75 75 VAL CG2 C 22.017 0.300 1 882 75 75 VAL N N 122.369 0.300 1 883 76 76 VAL H H 8.820 0.030 1 884 76 76 VAL HA H 5.079 0.030 1 885 76 76 VAL HB H 1.710 0.030 1 886 76 76 VAL HG1 H 0.904 0.030 1 887 76 76 VAL HG2 H 0.974 0.030 1 888 76 76 VAL C C 173.706 0.300 1 889 76 76 VAL CA C 61.456 0.300 1 890 76 76 VAL CB C 33.680 0.300 1 891 76 76 VAL CG1 C 23.103 0.300 2 892 76 76 VAL CG2 C 22.164 0.300 2 893 76 76 VAL N N 125.016 0.300 1 894 77 77 TYR H H 9.499 0.030 1 895 77 77 TYR HA H 5.800 0.030 1 896 77 77 TYR HB2 H 2.601 0.030 2 897 77 77 TYR HB3 H 2.927 0.030 2 898 77 77 TYR HD1 H 6.949 0.030 1 899 77 77 TYR HD2 H 6.949 0.030 1 900 77 77 TYR HE1 H 6.502 0.030 1 901 77 77 TYR HE2 H 6.502 0.030 1 902 77 77 TYR C C 173.786 0.300 1 903 77 77 TYR CA C 54.418 0.300 1 904 77 77 TYR CB C 42.831 0.300 1 905 77 77 TYR CD1 C 131.871 0.300 1 906 77 77 TYR CD2 C 131.871 0.300 1 907 77 77 TYR CE1 C 117.026 0.300 1 908 77 77 TYR CE2 C 117.026 0.300 1 909 77 77 TYR N N 129.288 0.300 1 910 78 78 SER H H 9.195 0.030 1 911 78 78 SER HA H 5.034 0.030 1 912 78 78 SER HB2 H 3.569 0.030 2 913 78 78 SER HB3 H 3.731 0.030 2 914 78 78 SER C C 171.596 0.300 1 915 78 78 SER CA C 56.894 0.300 1 916 78 78 SER CB C 63.850 0.300 1 917 78 78 SER N N 123.881 0.300 1 918 79 79 TYR H H 7.659 0.030 1 919 79 79 TYR HA H 4.598 0.030 1 920 79 79 TYR HB2 H 2.395 0.030 2 921 79 79 TYR HB3 H 2.337 0.030 2 922 79 79 TYR HD1 H 6.797 0.030 1 923 79 79 TYR HD2 H 6.797 0.030 1 924 79 79 TYR HE1 H 6.545 0.030 1 925 79 79 TYR HE2 H 6.545 0.030 1 926 79 79 TYR C C 172.325 0.300 1 927 79 79 TYR CA C 54.772 0.300 1 928 79 79 TYR CB C 42.876 0.300 1 929 79 79 TYR CD1 C 133.208 0.300 1 930 79 79 TYR CD2 C 133.208 0.300 1 931 79 79 TYR CE1 C 117.174 0.300 1 932 79 79 TYR CE2 C 117.174 0.300 1 933 79 79 TYR N N 127.852 0.300 1 934 80 80 LYS H H 7.742 0.030 1 935 80 80 LYS HA H 3.796 0.030 1 936 80 80 LYS HB2 H 1.501 0.030 2 937 80 80 LYS HB3 H 1.591 0.030 2 938 80 80 LYS HG2 H 0.848 0.030 2 939 80 80 LYS HG3 H 0.645 0.030 2 940 80 80 LYS HD2 H 1.736 0.030 2 941 80 80 LYS HD3 H 1.605 0.030 2 942 80 80 LYS HE2 H 2.767 0.030 2 943 80 80 LYS HE3 H 2.865 0.030 2 944 80 80 LYS C C 172.849 0.300 1 945 80 80 LYS CA C 56.075 0.300 1 946 80 80 LYS CB C 31.841 0.300 1 947 80 80 LYS CG C 24.961 0.300 1 948 80 80 LYS CD C 29.883 0.300 1 949 80 80 LYS CE C 42.348 0.300 1 950 80 80 LYS N N 125.583 0.300 1 951 81 81 TYR H H 8.874 0.030 1 952 81 81 TYR HA H 4.408 0.030 1 953 81 81 TYR HB2 H 3.150 0.030 2 954 81 81 TYR HB3 H 2.477 0.030 2 955 81 81 TYR HD1 H 6.670 0.030 1 956 81 81 TYR HD2 H 6.670 0.030 1 957 81 81 TYR HE1 H 6.493 0.030 1 958 81 81 TYR HE2 H 6.493 0.030 1 959 81 81 TYR C C 173.336 0.300 1 960 81 81 TYR CA C 54.378 0.300 1 961 81 81 TYR CB C 38.939 0.300 1 962 81 81 TYR CD1 C 131.129 0.300 1 963 81 81 TYR CD2 C 131.129 0.300 1 964 81 81 TYR CE1 C 117.917 0.300 1 965 81 81 TYR CE2 C 117.917 0.300 1 966 81 81 TYR N N 131.447 0.300 1 967 82 82 VAL H H 8.322 0.030 1 968 82 82 VAL HA H 4.202 0.030 1 969 82 82 VAL HB H 1.901 0.030 1 970 82 82 VAL HG1 H 0.895 0.030 1 971 82 82 VAL HG2 H 0.835 0.030 1 972 82 82 VAL C C 175.970 0.300 1 973 82 82 VAL CA C 62.089 0.300 1 974 82 82 VAL CB C 31.219 0.300 1 975 82 82 VAL CG1 C 20.828 0.300 2 976 82 82 VAL CG2 C 21.124 0.300 2 977 82 82 VAL N N 128.721 0.300 1 978 83 83 HIS H H 9.098 0.030 1 979 83 83 HIS HA H 4.300 0.030 1 980 83 83 HIS HB2 H 3.271 0.030 1 981 83 83 HIS HB3 H 3.271 0.030 1 982 83 83 HIS HD2 H 6.669 0.030 1 983 83 83 HIS HE1 H 7.983 0.030 1 984 83 83 HIS C C 176.905 0.300 1 985 83 83 HIS CA C 55.400 0.300 1 986 83 83 HIS CB C 30.112 0.300 1 987 83 83 HIS CD2 C 122.370 0.300 1 988 83 83 HIS CE1 C 136.325 0.300 1 989 83 83 HIS N N 126.118 0.300 1 990 84 84 ASP H H 7.960 0.030 1 991 84 84 ASP HA H 4.349 0.030 1 992 84 84 ASP HB2 H 2.753 0.030 1 993 84 84 ASP HB3 H 2.753 0.030 1 994 84 84 ASP C C 176.289 0.300 1 995 84 84 ASP CA C 57.277 0.300 1 996 84 84 ASP CB C 39.978 0.300 1 997 84 84 ASP N N 116.050 0.300 1 998 85 85 ASP H H 7.960 0.030 1 999 85 85 ASP HA H 4.537 0.030 1 1000 85 85 ASP HB2 H 3.060 0.030 2 1001 85 85 ASP HB3 H 2.587 0.030 2 1002 85 85 ASP C C 177.415 0.300 1 1003 85 85 ASP CA C 53.022 0.300 1 1004 85 85 ASP CB C 40.103 0.300 1 1005 85 85 ASP N N 116.050 0.300 1 1006 86 86 GLY H H 8.036 0.030 1 1007 86 86 GLY HA2 H 4.287 0.030 2 1008 86 86 GLY HA3 H 3.468 0.030 2 1009 86 86 GLY C C 174.691 0.300 1 1010 86 86 GLY CA C 44.923 0.300 1 1011 86 86 GLY N N 108.486 0.300 1 1012 87 87 ARG H H 7.788 0.030 1 1013 87 87 ARG HA H 4.180 0.030 1 1014 87 87 ARG HB2 H 1.648 0.030 2 1015 87 87 ARG HB3 H 1.491 0.030 2 1016 87 87 ARG HG2 H 1.463 0.030 1 1017 87 87 ARG HG3 H 1.463 0.030 1 1018 87 87 ARG HD2 H 3.109 0.030 2 1019 87 87 ARG HD3 H 3.055 0.030 2 1020 87 87 ARG HE H 7.720 0.030 1 1021 87 87 ARG C C 174.641 0.300 1 1022 87 87 ARG CA C 57.050 0.300 1 1023 87 87 ARG CB C 30.625 0.300 1 1024 87 87 ARG CG C 28.102 0.300 1 1025 87 87 ARG CD C 43.392 0.300 1 1026 87 87 ARG N N 121.156 0.300 1 1027 87 87 ARG NE N 109.999 0.300 1 1028 88 88 VAL H H 8.315 0.030 1 1029 88 88 VAL HA H 4.942 0.030 1 1030 88 88 VAL HB H 1.764 0.030 1 1031 88 88 VAL HG1 H 0.882 0.030 1 1032 88 88 VAL HG2 H 0.526 0.030 1 1033 88 88 VAL C C 176.073 0.300 1 1034 88 88 VAL CA C 61.028 0.300 1 1035 88 88 VAL CB C 34.468 0.300 1 1036 88 88 VAL CG1 C 21.867 0.300 2 1037 88 88 VAL CG2 C 22.164 0.300 2 1038 88 88 VAL N N 121.346 0.300 1 1039 89 89 SER H H 9.057 0.030 1 1040 89 89 SER HA H 4.691 0.030 1 1041 89 89 SER HB2 H 3.920 0.030 2 1042 89 89 SER HB3 H 4.092 0.030 2 1043 89 89 SER C C 170.739 0.300 1 1044 89 89 SER CA C 56.913 0.300 1 1045 89 89 SER CB C 65.958 0.300 1 1046 89 89 SER N N 122.864 0.300 1 1047 90 90 TYR H H 8.530 0.030 1 1048 90 90 TYR HA H 5.674 0.030 1 1049 90 90 TYR HB2 H 2.831 0.030 2 1050 90 90 TYR HB3 H 2.656 0.030 2 1051 90 90 TYR HD1 H 6.969 0.030 1 1052 90 90 TYR HD2 H 6.969 0.030 1 1053 90 90 TYR HE1 H 6.574 0.030 1 1054 90 90 TYR HE2 H 6.574 0.030 1 1055 90 90 TYR C C 173.806 0.300 1 1056 90 90 TYR CA C 55.120 0.300 1 1057 90 90 TYR CB C 38.549 0.300 1 1058 90 90 TYR CD1 C 133.208 0.300 1 1059 90 90 TYR CD2 C 133.208 0.300 1 1060 90 90 TYR CE1 C 117.471 0.300 1 1061 90 90 TYR CE2 C 117.471 0.300 1 1062 90 90 TYR N N 116.618 0.300 1 1063 91 91 PRO HA H 4.498 0.030 1 1064 91 91 PRO HB2 H 1.899 0.030 2 1065 91 91 PRO HB3 H 2.354 0.030 2 1066 91 91 PRO HG2 H 2.286 0.030 2 1067 91 91 PRO HG3 H 2.016 0.030 2 1068 91 91 PRO HD2 H 3.504 0.030 2 1069 91 91 PRO HD3 H 4.669 0.030 2 1070 91 91 PRO C C 174.603 0.300 1 1071 91 91 PRO CA C 63.327 0.300 1 1072 91 91 PRO CB C 32.598 0.300 1 1073 91 91 PRO CG C 28.250 0.300 1 1074 91 91 PRO CD C 50.667 0.300 1 1075 92 92 LEU H H 7.958 0.030 1 1076 92 92 LEU HA H 5.193 0.030 1 1077 92 92 LEU HB2 H 1.774 0.030 2 1078 92 92 LEU HB3 H 1.605 0.030 2 1079 92 92 LEU HG H 1.733 0.030 1 1080 92 92 LEU HD1 H 1.032 0.030 1 1081 92 92 LEU HD2 H 0.960 0.030 1 1082 92 92 LEU C C 176.865 0.300 1 1083 92 92 LEU CA C 53.543 0.300 1 1084 92 92 LEU CB C 43.986 0.300 1 1085 92 92 LEU CG C 27.656 0.300 1 1086 92 92 LEU CD1 C 25.578 0.300 2 1087 92 92 LEU CD2 C 26.023 0.300 2 1088 92 92 LEU N N 120.667 0.300 1 1089 93 93 CYS H H 9.207 0.030 1 1090 93 93 CYS HA H 4.992 0.030 1 1091 93 93 CYS HB2 H 3.097 0.030 2 1092 93 93 CYS HB3 H 2.724 0.030 2 1093 93 93 CYS C C 172.185 0.300 1 1094 93 93 CYS CA C 56.932 0.300 1 1095 93 93 CYS CB C 30.922 0.300 1 1096 93 93 CYS N N 119.540 0.300 1 1097 94 94 PHE H H 9.113 0.030 1 1098 94 94 PHE HA H 5.467 0.030 1 1099 94 94 PHE HB2 H 3.362 0.030 2 1100 94 94 PHE HB3 H 2.774 0.030 2 1101 94 94 PHE HD1 H 7.039 0.030 1 1102 94 94 PHE HD2 H 7.039 0.030 1 1103 94 94 PHE HE1 H 6.780 0.030 1 1104 94 94 PHE HE2 H 6.780 0.030 1 1105 94 94 PHE HZ H 6.380 0.030 1 1106 94 94 PHE C C 173.796 0.300 1 1107 94 94 PHE CA C 56.001 0.300 1 1108 94 94 PHE CB C 41.124 0.300 1 1109 94 94 PHE CD1 C 132.168 0.300 1 1110 94 94 PHE CD2 C 132.168 0.300 1 1111 94 94 PHE CE1 C 129.645 0.300 1 1112 94 94 PHE CE2 C 129.645 0.300 1 1113 94 94 PHE CZ C 128.754 0.300 1 1114 94 94 PHE N N 125.317 0.300 1 1115 95 95 ILE H H 9.444 0.030 1 1116 95 95 ILE HA H 4.942 0.030 1 1117 95 95 ILE HB H 1.514 0.030 1 1118 95 95 ILE HG12 H 1.749 0.030 2 1119 95 95 ILE HG13 H 1.161 0.030 2 1120 95 95 ILE HG2 H 0.711 0.030 1 1121 95 95 ILE HD1 H 0.842 0.030 1 1122 95 95 ILE C C 174.180 0.300 1 1123 95 95 ILE CA C 59.743 0.300 1 1124 95 95 ILE CB C 42.353 0.300 1 1125 95 95 ILE CG1 C 28.250 0.300 1 1126 95 95 ILE CG2 C 17.079 0.300 1 1127 95 95 ILE CD1 C 14.147 0.300 1 1128 95 95 ILE N N 127.663 0.300 1 1129 96 96 PHE H H 9.260 0.030 1 1130 96 96 PHE HA H 5.576 0.030 1 1131 96 96 PHE HB2 H 3.256 0.030 2 1132 96 96 PHE HB3 H 3.529 0.030 2 1133 96 96 PHE HD1 H 7.412 0.030 1 1134 96 96 PHE HD2 H 7.412 0.030 1 1135 96 96 PHE HE1 H 7.201 0.030 1 1136 96 96 PHE HE2 H 7.201 0.030 1 1137 96 96 PHE HZ H 7.116 0.030 1 1138 96 96 PHE C C 173.848 0.300 1 1139 96 96 PHE CA C 52.630 0.300 1 1140 96 96 PHE CB C 38.935 0.300 1 1141 96 96 PHE CD1 C 130.535 0.300 1 1142 96 96 PHE CD2 C 130.535 0.300 1 1143 96 96 PHE CE1 C 131.575 0.300 1 1144 96 96 PHE CE2 C 131.575 0.300 1 1145 96 96 PHE CZ C 130.771 0.300 1 1146 96 96 PHE N N 127.397 0.300 1 1147 97 97 SER H H 8.600 0.030 1 1148 97 97 SER HA H 4.479 0.030 1 1149 97 97 SER HB2 H 3.100 0.030 2 1150 97 97 SER HB3 H 3.835 0.030 2 1151 97 97 SER C C 172.556 0.300 1 1152 97 97 SER CA C 56.308 0.300 1 1153 97 97 SER CB C 62.275 0.300 1 1154 97 97 SER N N 121.990 0.300 1 1155 98 98 SER H H 7.789 0.030 1 1156 98 98 SER HA H 4.193 0.030 1 1157 98 98 SER HB2 H 3.226 0.030 2 1158 98 98 SER HB3 H 1.784 0.030 2 1159 98 98 SER CA C 53.339 0.300 1 1160 98 98 SER CB C 62.098 0.300 1 1161 98 98 SER N N 121.156 0.300 1 1162 99 99 PRO HA H 4.277 0.030 1 1163 99 99 PRO HB2 H 2.253 0.030 2 1164 99 99 PRO HB3 H 1.694 0.030 2 1165 99 99 PRO HG2 H 1.371 0.030 2 1166 99 99 PRO HG3 H 1.506 0.030 2 1167 99 99 PRO HD2 H 3.271 0.030 2 1168 99 99 PRO HD3 H 2.665 0.030 2 1169 99 99 PRO C C 178.282 0.300 1 1170 99 99 PRO CA C 62.693 0.300 1 1171 99 99 PRO CB C 32.704 0.300 1 1172 99 99 PRO CG C 27.646 0.300 1 1173 99 99 PRO CD C 49.925 0.300 1 1174 100 100 VAL H H 8.156 0.030 1 1175 100 100 VAL HA H 3.834 0.030 1 1176 100 100 VAL HB H 2.041 0.030 1 1177 100 100 VAL HG1 H 1.053 0.030 1 1178 100 100 VAL HG2 H 0.983 0.030 1 1179 100 100 VAL C C 177.070 0.300 1 1180 100 100 VAL CA C 64.379 0.300 1 1181 100 100 VAL CB C 31.961 0.300 1 1182 100 100 VAL CG1 C 20.976 0.300 1 1183 100 100 VAL CG2 C 20.976 0.300 1 1184 100 100 VAL N N 122.227 0.300 1 1185 101 101 GLY H H 8.730 0.030 1 1186 101 101 GLY HA2 H 4.029 0.030 2 1187 101 101 GLY HA3 H 3.865 0.030 2 1188 101 101 GLY C C 175.139 0.300 1 1189 101 101 GLY CA C 44.960 0.300 1 1190 101 101 GLY N N 111.084 0.300 1 1191 102 102 CYS H H 7.355 0.030 1 1192 102 102 CYS HA H 4.380 0.030 1 1193 102 102 CYS HB2 H 2.648 0.030 2 1194 102 102 CYS HB3 H 2.870 0.030 2 1195 102 102 CYS C C 174.589 0.300 1 1196 102 102 CYS CA C 59.091 0.300 1 1197 102 102 CYS CB C 27.987 0.300 1 1198 102 102 CYS N N 117.074 0.300 1 1199 103 103 LYS H H 9.086 0.030 1 1200 103 103 LYS HA H 4.536 0.030 1 1201 103 103 LYS HB2 H 1.790 0.030 2 1202 103 103 LYS HB3 H 2.106 0.030 2 1203 103 103 LYS HG2 H 1.771 0.030 2 1204 103 103 LYS HG3 H 1.663 0.030 2 1205 103 103 LYS HD2 H 1.820 0.030 1 1206 103 103 LYS HD3 H 1.820 0.030 1 1207 103 103 LYS HE2 H 3.106 0.030 1 1208 103 103 LYS HE3 H 3.106 0.030 1 1209 103 103 LYS C C 176.854 0.300 1 1210 103 103 LYS CA C 55.028 0.300 1 1211 103 103 LYS CB C 31.957 0.300 1 1212 103 103 LYS CG C 25.281 0.300 1 1213 103 103 LYS CD C 29.226 0.300 1 1214 103 103 LYS CE C 42.502 0.300 1 1215 103 103 LYS N N 124.939 0.300 1 1216 104 104 PRO HA H 4.330 0.030 1 1217 104 104 PRO HB2 H 2.442 0.030 2 1218 104 104 PRO HB3 H 2.044 0.030 2 1219 104 104 PRO HG2 H 2.120 0.030 2 1220 104 104 PRO HG3 H 2.258 0.030 2 1221 104 104 PRO HD2 H 3.912 0.030 2 1222 104 104 PRO HD3 H 4.062 0.030 2 1223 104 104 PRO C C 178.563 0.300 1 1224 104 104 PRO CA C 65.809 0.300 1 1225 104 104 PRO CB C 31.900 0.300 1 1226 104 104 PRO CG C 27.783 0.300 1 1227 104 104 PRO CD C 51.087 0.300 1 1228 105 105 GLU H H 9.577 0.030 1 1229 105 105 GLU HA H 4.170 0.030 1 1230 105 105 GLU HB2 H 2.098 0.030 1 1231 105 105 GLU HB3 H 2.098 0.030 1 1232 105 105 GLU HG2 H 2.379 0.030 1 1233 105 105 GLU HG3 H 2.379 0.030 1 1234 105 105 GLU C C 179.270 0.300 1 1235 105 105 GLU CA C 59.871 0.300 1 1236 105 105 GLU CB C 28.696 0.300 1 1237 105 105 GLU CG C 36.431 0.300 1 1238 105 105 GLU N N 116.807 0.300 1 1239 106 106 GLN H H 7.224 0.030 1 1240 106 106 GLN HA H 4.389 0.030 1 1241 106 106 GLN HB2 H 2.190 0.030 2 1242 106 106 GLN HB3 H 2.284 0.030 2 1243 106 106 GLN HG2 H 2.419 0.030 2 1244 106 106 GLN HG3 H 2.672 0.030 2 1245 106 106 GLN HE21 H 7.767 0.030 2 1246 106 106 GLN HE22 H 6.977 0.030 2 1247 106 106 GLN C C 178.170 0.300 1 1248 106 106 GLN CA C 58.533 0.300 1 1249 106 106 GLN CB C 29.345 0.300 1 1250 106 106 GLN CG C 34.610 0.300 1 1251 106 106 GLN N N 117.922 0.300 1 1252 106 106 GLN NE2 N 111.890 0.300 1 1253 107 107 GLN H H 8.215 0.030 1 1254 107 107 GLN HA H 3.868 0.030 1 1255 107 107 GLN HB2 H 2.315 0.030 2 1256 107 107 GLN HB3 H 1.976 0.030 2 1257 107 107 GLN HG2 H 2.388 0.030 2 1258 107 107 GLN HG3 H 2.266 0.030 2 1259 107 107 GLN HE21 H 7.315 0.030 2 1260 107 107 GLN HE22 H 6.651 0.030 2 1261 107 107 GLN C C 178.707 0.300 1 1262 107 107 GLN CA C 60.861 0.300 1 1263 107 107 GLN CB C 28.206 0.300 1 1264 107 107 GLN CG C 33.700 0.300 1 1265 107 107 GLN N N 120.211 0.300 1 1266 107 107 GLN NE2 N 110.377 0.300 1 1267 108 108 MET H H 8.617 0.030 1 1268 108 108 MET HA H 4.276 0.030 1 1269 108 108 MET HB2 H 2.219 0.030 2 1270 108 108 MET HB3 H 2.164 0.030 2 1271 108 108 MET HG2 H 2.694 0.030 2 1272 108 108 MET HG3 H 2.772 0.030 2 1273 108 108 MET HE H 2.114 0.030 1 1274 108 108 MET C C 179.181 0.300 1 1275 108 108 MET CA C 58.850 0.300 1 1276 108 108 MET CB C 32.704 0.300 1 1277 108 108 MET CG C 32.258 0.300 1 1278 108 108 MET CE C 17.116 0.300 1 1279 108 108 MET N N 116.428 0.300 1 1280 109 109 MET H H 7.723 0.030 1 1281 109 109 MET HA H 4.342 0.030 1 1282 109 109 MET HB2 H 2.300 0.030 2 1283 109 109 MET HB3 H 2.103 0.030 2 1284 109 109 MET HG2 H 2.450 0.030 2 1285 109 109 MET HG3 H 2.751 0.030 2 1286 109 109 MET HE H 2.077 0.030 1 1287 109 109 MET C C 178.860 0.300 1 1288 109 109 MET CA C 58.980 0.300 1 1289 109 109 MET CB C 33.001 0.300 1 1290 109 109 MET CG C 32.258 0.300 1 1291 109 109 MET CE C 17.264 0.300 1 1292 109 109 MET N N 119.489 0.300 1 1293 110 110 TYR H H 8.010 0.030 1 1294 110 110 TYR HA H 3.951 0.030 1 1295 110 110 TYR HB2 H 3.104 0.030 2 1296 110 110 TYR HB3 H 2.699 0.030 2 1297 110 110 TYR HD1 H 7.244 0.030 1 1298 110 110 TYR HD2 H 7.244 0.030 1 1299 110 110 TYR HE1 H 6.562 0.030 1 1300 110 110 TYR HE2 H 6.562 0.030 1 1301 110 110 TYR C C 178.106 0.300 1 1302 110 110 TYR CA C 62.098 0.300 1 1303 110 110 TYR CB C 38.234 0.300 1 1304 110 110 TYR CD1 C 129.051 0.300 1 1305 110 110 TYR CD2 C 129.051 0.300 1 1306 110 110 TYR CE1 C 117.917 0.300 1 1307 110 110 TYR CE2 C 117.917 0.300 1 1308 110 110 TYR N N 118.320 0.300 1 1309 111 111 ALA H H 9.107 0.030 1 1310 111 111 ALA HA H 4.013 0.030 1 1311 111 111 ALA HB H 1.706 0.030 1 1312 111 111 ALA C C 181.137 0.300 1 1313 111 111 ALA CA C 56.160 0.300 1 1314 111 111 ALA CB C 18.155 0.300 1 1315 111 111 ALA N N 122.102 0.300 1 1316 112 112 GLY H H 8.345 0.030 1 1317 112 112 GLY HA2 H 4.067 0.030 1 1318 112 112 GLY HA3 H 4.067 0.030 1 1319 112 112 GLY C C 175.126 0.300 1 1320 112 112 GLY CA C 46.468 0.300 1 1321 112 112 GLY N N 102.572 0.300 1 1322 113 113 SER H H 7.418 0.030 1 1323 113 113 SER HA H 4.684 0.030 1 1324 113 113 SER HB2 H 3.764 0.030 2 1325 113 113 SER HB3 H 3.892 0.030 2 1326 113 113 SER C C 173.271 0.300 1 1327 113 113 SER CA C 59.873 0.300 1 1328 113 113 SER CB C 64.325 0.300 1 1329 113 113 SER N N 113.970 0.300 1 1330 114 114 LYS H H 7.311 0.030 1 1331 114 114 LYS HA H 3.237 0.030 1 1332 114 114 LYS HB2 H 1.703 0.030 1 1333 114 114 LYS HB3 H 1.703 0.030 1 1334 114 114 LYS HG2 H 1.058 0.030 2 1335 114 114 LYS HG3 H 1.181 0.030 2 1336 114 114 LYS HD2 H 1.518 0.030 1 1337 114 114 LYS HD3 H 1.518 0.030 1 1338 114 114 LYS HE2 H 2.901 0.030 1 1339 114 114 LYS HE3 H 2.901 0.030 1 1340 114 114 LYS C C 176.328 0.300 1 1341 114 114 LYS CA C 60.168 0.300 1 1342 114 114 LYS CB C 32.555 0.300 1 1343 114 114 LYS CG C 23.687 0.300 1 1344 114 114 LYS CD C 29.586 0.300 1 1345 114 114 LYS CE C 41.347 0.300 1 1346 114 114 LYS N N 122.102 0.300 1 1347 115 115 ASN H H 8.652 0.030 1 1348 115 115 ASN HA H 4.162 0.030 1 1349 115 115 ASN HB2 H 2.658 0.030 2 1350 115 115 ASN HB3 H 2.787 0.030 2 1351 115 115 ASN HD21 H 7.597 0.030 2 1352 115 115 ASN HD22 H 6.916 0.030 2 1353 115 115 ASN C C 177.658 0.300 1 1354 115 115 ASN CA C 56.317 0.300 1 1355 115 115 ASN CB C 37.051 0.300 1 1356 115 115 ASN N N 116.788 0.300 1 1357 115 115 ASN ND2 N 111.890 0.300 1 1358 116 116 ARG H H 8.325 0.030 1 1359 116 116 ARG HA H 4.004 0.030 1 1360 116 116 ARG HB2 H 1.882 0.030 2 1361 116 116 ARG HB3 H 1.757 0.030 2 1362 116 116 ARG HG2 H 1.602 0.030 2 1363 116 116 ARG HG3 H 1.549 0.030 2 1364 116 116 ARG HD2 H 3.219 0.030 1 1365 116 116 ARG HD3 H 3.219 0.030 1 1366 116 116 ARG HE H 7.195 0.030 1 1367 116 116 ARG C C 179.066 0.300 1 1368 116 116 ARG CA C 58.238 0.300 1 1369 116 116 ARG CB C 29.289 0.300 1 1370 116 116 ARG CG C 26.573 0.300 1 1371 116 116 ARG CD C 42.803 0.300 1 1372 116 116 ARG N N 120.589 0.300 1 1373 116 116 ARG NE N 108.864 0.300 1 1374 117 117 LEU H H 7.494 0.030 1 1375 117 117 LEU HA H 3.804 0.030 1 1376 117 117 LEU HB2 H 1.417 0.030 2 1377 117 117 LEU HB3 H 1.095 0.030 2 1378 117 117 LEU HG H 1.245 0.030 1 1379 117 117 LEU HD1 H 0.677 0.030 1 1380 117 117 LEU HD2 H 0.431 0.030 1 1381 117 117 LEU C C 177.608 0.300 1 1382 117 117 LEU CA C 57.644 0.300 1 1383 117 117 LEU CB C 41.463 0.300 1 1384 117 117 LEU CG C 27.360 0.300 1 1385 117 117 LEU CD1 C 23.687 0.300 2 1386 117 117 LEU CD2 C 26.617 0.300 2 1387 117 117 LEU N N 123.073 0.300 1 1388 118 118 VAL H H 7.980 0.030 1 1389 118 118 VAL HA H 2.906 0.030 1 1390 118 118 VAL HB H 1.756 0.030 1 1391 118 118 VAL HG1 H 0.542 0.030 1 1392 118 118 VAL HG2 H 0.021 0.030 1 1393 118 118 VAL C C 178.081 0.300 1 1394 118 118 VAL CA C 67.004 0.300 1 1395 118 118 VAL CB C 31.516 0.300 1 1396 118 118 VAL CG1 C 21.273 0.300 2 1397 118 118 VAL CG2 C 22.164 0.300 2 1398 118 118 VAL N N 119.454 0.300 1 1399 119 119 GLN H H 7.919 0.030 1 1400 119 119 GLN HA H 4.049 0.030 1 1401 119 119 GLN HB2 H 2.077 0.030 1 1402 119 119 GLN HB3 H 2.077 0.030 1 1403 119 119 GLN HG2 H 2.327 0.030 2 1404 119 119 GLN HG3 H 2.455 0.030 2 1405 119 119 GLN HE21 H 6.775 0.030 2 1406 119 119 GLN HE22 H 7.413 0.030 2 1407 119 119 GLN C C 179.680 0.300 1 1408 119 119 GLN CA C 58.386 0.300 1 1409 119 119 GLN CB C 28.382 0.300 1 1410 119 119 GLN CG C 33.882 0.300 1 1411 119 119 GLN N N 116.618 0.300 1 1412 119 119 GLN NE2 N 111.512 0.300 1 1413 120 120 THR H H 7.994 0.030 1 1414 120 120 THR HA H 3.953 0.030 1 1415 120 120 THR HB H 4.269 0.030 1 1416 120 120 THR HG2 H 1.208 0.030 1 1417 120 120 THR C C 174.934 0.300 1 1418 120 120 THR CA C 66.539 0.300 1 1419 120 120 THR CB C 68.778 0.300 1 1420 120 120 THR CG2 C 21.229 0.300 1 1421 120 120 THR N N 116.731 0.300 1 1422 121 121 ALA H H 8.038 0.030 1 1423 121 121 ALA HA H 4.186 0.030 1 1424 121 121 ALA HB H 1.315 0.030 1 1425 121 121 ALA C C 174.755 0.300 1 1426 121 121 ALA CA C 52.351 0.300 1 1427 121 121 ALA CB C 18.749 0.300 1 1428 121 121 ALA N N 121.234 0.300 1 1429 122 122 GLU H H 7.621 0.030 1 1430 122 122 GLU HA H 3.820 0.030 1 1431 122 122 GLU HB2 H 2.128 0.030 1 1432 122 122 GLU HB3 H 2.128 0.030 1 1433 122 122 GLU HG2 H 2.156 0.030 1 1434 122 122 GLU HG3 H 2.156 0.030 1 1435 122 122 GLU C C 175.318 0.300 1 1436 122 122 GLU CA C 57.155 0.300 1 1437 122 122 GLU CB C 26.617 0.300 1 1438 122 122 GLU CG C 36.861 0.300 1 1439 122 122 GLU N N 113.482 0.300 1 1440 123 123 LEU H H 7.267 0.030 1 1441 123 123 LEU HA H 4.685 0.030 1 1442 123 123 LEU HB2 H 1.494 0.030 2 1443 123 123 LEU HB3 H 1.444 0.030 2 1444 123 123 LEU HG H 1.625 0.030 1 1445 123 123 LEU HD1 H 0.845 0.030 1 1446 123 123 LEU HD2 H 0.916 0.030 1 1447 123 123 LEU C C 176.777 0.300 1 1448 123 123 LEU CA C 53.766 0.300 1 1449 123 123 LEU CB C 43.383 0.300 1 1450 123 123 LEU CG C 26.617 0.300 1 1451 123 123 LEU CD1 C 27.656 0.300 2 1452 123 123 LEU CD2 C 23.945 0.300 2 1453 123 123 LEU N N 117.452 0.300 1 1454 124 124 THR H H 8.280 0.030 1 1455 124 124 THR HA H 4.376 0.030 1 1456 124 124 THR HB H 4.321 0.030 1 1457 124 124 THR HG2 H 1.147 0.030 1 1458 124 124 THR C C 174.943 0.300 1 1459 124 124 THR CA C 61.949 0.300 1 1460 124 124 THR CB C 70.114 0.300 1 1461 124 124 THR CG2 C 21.819 0.300 1 1462 124 124 THR N N 108.675 0.300 1 1463 125 125 LYS H H 7.798 0.030 1 1464 125 125 LYS HA H 4.405 0.030 1 1465 125 125 LYS HB2 H 2.101 0.030 2 1466 125 125 LYS HB3 H 1.525 0.030 2 1467 125 125 LYS HG2 H 1.489 0.030 1 1468 125 125 LYS HG3 H 1.489 0.030 1 1469 125 125 LYS HD2 H 1.757 0.030 1 1470 125 125 LYS HD3 H 1.757 0.030 1 1471 125 125 LYS HE2 H 3.108 0.030 1 1472 125 125 LYS HE3 H 3.108 0.030 1 1473 125 125 LYS C C 173.247 0.300 1 1474 125 125 LYS CA C 55.417 0.300 1 1475 125 125 LYS CB C 32.110 0.300 1 1476 125 125 LYS CG C 24.683 0.300 1 1477 125 125 LYS CD C 29.289 0.300 1 1478 125 125 LYS CE C 42.658 0.300 1 1479 125 125 LYS N N 125.128 0.300 1 1480 126 126 VAL H H 7.740 0.030 1 1481 126 126 VAL HA H 4.588 0.030 1 1482 126 126 VAL HB H 1.944 0.030 1 1483 126 126 VAL HG1 H 0.891 0.030 1 1484 126 126 VAL HG2 H 0.614 0.030 1 1485 126 126 VAL C C 174.603 0.300 1 1486 126 126 VAL CA C 61.207 0.300 1 1487 126 126 VAL CB C 34.362 0.300 1 1488 126 126 VAL CG1 C 21.124 0.300 2 1489 126 126 VAL CG2 C 20.828 0.300 2 1490 126 126 VAL N N 124.182 0.300 1 1491 127 127 PHE H H 9.395 0.030 1 1492 127 127 PHE HA H 5.484 0.030 1 1493 127 127 PHE HB2 H 3.586 0.030 2 1494 127 127 PHE HB3 H 3.062 0.030 2 1495 127 127 PHE HD1 H 7.118 0.030 1 1496 127 127 PHE HD2 H 7.118 0.030 1 1497 127 127 PHE HE1 H 6.944 0.030 1 1498 127 127 PHE HE2 H 6.944 0.030 1 1499 127 127 PHE HZ H 6.976 0.030 1 1500 127 127 PHE C C 174.556 0.300 1 1501 127 127 PHE CA C 54.230 0.300 1 1502 127 127 PHE CB C 42.502 0.300 1 1503 127 127 PHE CD1 C 131.278 0.300 1 1504 127 127 PHE CD2 C 131.278 0.300 1 1505 127 127 PHE CE1 C 131.880 0.300 1 1506 127 127 PHE CE2 C 131.880 0.300 1 1507 127 127 PHE CZ C 129.051 0.300 1 1508 127 127 PHE N N 127.397 0.300 1 1509 128 128 GLU H H 9.123 0.030 1 1510 128 128 GLU HA H 5.472 0.030 1 1511 128 128 GLU HB2 H 2.114 0.030 2 1512 128 128 GLU HB3 H 2.212 0.030 2 1513 128 128 GLU HG2 H 2.350 0.030 2 1514 128 128 GLU HG3 H 2.100 0.030 2 1515 128 128 GLU C C 175.242 0.300 1 1516 128 128 GLU CA C 55.417 0.300 1 1517 128 128 GLU CB C 33.001 0.300 1 1518 128 128 GLU CG C 36.930 0.300 1 1519 128 128 GLU N N 123.237 0.300 1 1520 129 129 ILE H H 8.391 0.030 1 1521 129 129 ILE HA H 4.716 0.030 1 1522 129 129 ILE HB H 1.711 0.030 1 1523 129 129 ILE HG12 H 1.252 0.030 2 1524 129 129 ILE HG13 H 0.676 0.030 2 1525 129 129 ILE HG2 H 0.329 0.030 1 1526 129 129 ILE HD1 H 0.223 0.030 1 1527 129 129 ILE C C 174.731 0.300 1 1528 129 129 ILE CA C 59.470 0.300 1 1529 129 129 ILE CB C 40.815 0.300 1 1530 129 129 ILE CG1 C 26.272 0.300 1 1531 129 129 ILE CG2 C 18.304 0.300 1 1532 129 129 ILE CD1 C 13.234 0.300 1 1533 129 129 ILE N N 118.320 0.300 1 1534 130 130 ARG H H 9.046 0.030 1 1535 130 130 ARG HA H 4.506 0.030 1 1536 130 130 ARG HB2 H 1.704 0.030 2 1537 130 130 ARG HB3 H 1.993 0.030 2 1538 130 130 ARG HG2 H 1.544 0.030 2 1539 130 130 ARG HG3 H 1.677 0.030 2 1540 130 130 ARG HD2 H 3.232 0.030 2 1541 130 130 ARG HD3 H 3.120 0.030 2 1542 130 130 ARG HE H 7.353 0.030 1 1543 130 130 ARG C C 175.446 0.300 1 1544 130 130 ARG CA C 54.962 0.300 1 1545 130 130 ARG CB C 30.154 0.300 1 1546 130 130 ARG CG C 26.766 0.300 1 1547 130 130 ARG CD C 42.650 0.300 1 1548 130 130 ARG N N 123.426 0.300 1 1549 130 130 ARG NE N 108.297 0.300 1 1550 131 131 THR H H 7.206 0.030 1 1551 131 131 THR HA H 4.536 0.030 1 1552 131 131 THR HB H 4.256 0.030 1 1553 131 131 THR HG2 H 1.045 0.030 1 1554 131 131 THR C C 175.307 0.300 1 1555 131 131 THR CA C 59.744 0.300 1 1556 131 131 THR CB C 69.573 0.300 1 1557 131 131 THR CG2 C 20.976 0.300 1 1558 131 131 THR N N 113.482 0.300 1 1559 132 132 THR H H 8.813 0.030 1 1560 132 132 THR HA H 3.656 0.030 1 1561 132 132 THR HB H 4.134 0.030 1 1562 132 132 THR HG2 H 1.026 0.030 1 1563 132 132 THR C C 175.476 0.300 1 1564 132 132 THR CA C 64.986 0.300 1 1565 132 132 THR CB C 67.794 0.300 1 1566 132 132 THR CG2 C 23.351 0.300 1 1567 132 132 THR N N 118.732 0.300 1 1568 133 133 ASP H H 7.792 0.030 1 1569 133 133 ASP HA H 4.169 0.030 1 1570 133 133 ASP HB2 H 2.406 0.030 2 1571 133 133 ASP HB3 H 2.522 0.030 2 1572 133 133 ASP C C 176.615 0.300 1 1573 133 133 ASP CA C 56.120 0.300 1 1574 133 133 ASP CB C 40.714 0.300 1 1575 133 133 ASP N N 118.128 0.300 1 1576 134 134 ASP H H 7.162 0.030 1 1577 134 134 ASP HA H 4.212 0.030 1 1578 134 134 ASP HB2 H 1.911 0.030 2 1579 134 134 ASP HB3 H 2.164 0.030 2 1580 134 134 ASP C C 175.612 0.300 1 1581 134 134 ASP CA C 55.163 0.300 1 1582 134 134 ASP CB C 40.599 0.300 1 1583 134 134 ASP N N 117.499 0.300 1 1584 135 135 LEU H H 6.955 0.030 1 1585 135 135 LEU HA H 3.496 0.030 1 1586 135 135 LEU HB2 H 1.762 0.030 2 1587 135 135 LEU HB3 H 0.885 0.030 2 1588 135 135 LEU HG H 1.284 0.030 1 1589 135 135 LEU HD1 H 0.486 0.030 1 1590 135 135 LEU HD2 H 0.562 0.030 1 1591 135 135 LEU C C 172.759 0.300 1 1592 135 135 LEU CA C 55.566 0.300 1 1593 135 135 LEU CB C 40.117 0.300 1 1594 135 135 LEU CG C 27.211 0.300 1 1595 135 135 LEU CD1 C 24.506 0.300 1 1596 135 135 LEU CD2 C 24.506 0.300 1 1597 135 135 LEU N N 118.965 0.300 1 1598 136 136 THR H H 7.377 0.030 1 1599 136 136 THR HA H 4.557 0.030 1 1600 136 136 THR HB H 4.703 0.030 1 1601 136 136 THR HG2 H 1.165 0.030 1 1602 136 136 THR C C 174.896 0.300 1 1603 136 136 THR CA C 58.439 0.300 1 1604 136 136 THR CB C 73.264 0.300 1 1605 136 136 THR CG2 C 21.718 0.300 1 1606 136 136 THR N N 115.184 0.300 1 1607 137 137 GLU H H 9.728 0.030 1 1608 137 137 GLU HA H 3.933 0.030 1 1609 137 137 GLU HB2 H 2.315 0.030 1 1610 137 137 GLU HB3 H 2.315 0.030 1 1611 137 137 GLU HG2 H 2.495 0.030 1 1612 137 137 GLU HG3 H 2.495 0.030 1 1613 137 137 GLU C C 177.658 0.300 1 1614 137 137 GLU CA C 60.762 0.300 1 1615 137 137 GLU CB C 29.477 0.300 1 1616 137 137 GLU CG C 36.861 0.300 1 1617 137 137 GLU N N 123.125 0.300 1 1618 138 138 THR H H 8.167 0.030 1 1619 138 138 THR HA H 3.852 0.030 1 1620 138 138 THR HB H 4.111 0.030 1 1621 138 138 THR HG2 H 1.274 0.030 1 1622 138 138 THR C C 175.932 0.300 1 1623 138 138 THR CA C 66.700 0.300 1 1624 138 138 THR CB C 68.778 0.300 1 1625 138 138 THR CG2 C 21.866 0.300 1 1626 138 138 THR N N 114.056 0.300 1 1627 139 139 TRP H H 8.083 0.030 1 1628 139 139 TRP HA H 4.070 0.030 1 1629 139 139 TRP HB2 H 3.530 0.030 2 1630 139 139 TRP HB3 H 3.404 0.030 2 1631 139 139 TRP HD1 H 7.225 0.030 1 1632 139 139 TRP HE1 H 10.056 0.030 1 1633 139 139 TRP HE3 H 7.358 0.030 1 1634 139 139 TRP HZ2 H 7.274 0.030 1 1635 139 139 TRP HZ3 H 6.557 0.030 1 1636 139 139 TRP HH2 H 6.709 0.030 1 1637 139 139 TRP C C 177.710 0.300 1 1638 139 139 TRP CA C 61.456 0.300 1 1639 139 139 TRP CB C 29.871 0.300 1 1640 139 139 TRP CD1 C 127.418 0.300 1 1641 139 139 TRP CE3 C 119.847 0.300 1 1642 139 139 TRP CZ2 C 114.502 0.300 1 1643 139 139 TRP CZ3 C 120.144 0.300 1 1644 139 139 TRP CH2 C 122.667 0.300 1 1645 139 139 TRP N N 124.182 0.300 1 1646 139 139 TRP NE1 N 127.964 0.300 1 1647 140 140 LEU H H 8.175 0.030 1 1648 140 140 LEU HA H 3.245 0.030 1 1649 140 140 LEU HB2 H 1.387 0.030 2 1650 140 140 LEU HB3 H 1.583 0.030 2 1651 140 140 LEU HG H 1.262 0.030 1 1652 140 140 LEU HD1 H 0.723 0.030 1 1653 140 140 LEU HD2 H 0.315 0.030 1 1654 140 140 LEU C C 178.285 0.300 1 1655 140 140 LEU CA C 57.639 0.300 1 1656 140 140 LEU CB C 42.394 0.300 1 1657 140 140 LEU CG C 26.914 0.300 1 1658 140 140 LEU CD1 C 23.596 0.300 2 1659 140 140 LEU CD2 C 25.875 0.300 2 1660 140 140 LEU N N 119.454 0.300 1 1661 141 141 LYS H H 8.402 0.030 1 1662 141 141 LYS HA H 3.577 0.030 1 1663 141 141 LYS HB2 H 1.888 0.030 1 1664 141 141 LYS HB3 H 1.888 0.030 1 1665 141 141 LYS HG2 H 1.209 0.030 2 1666 141 141 LYS HG3 H 1.882 0.030 2 1667 141 141 LYS HD2 H 1.739 0.030 2 1668 141 141 LYS HD3 H 1.828 0.030 2 1669 141 141 LYS HE2 H 2.996 0.030 1 1670 141 141 LYS HE3 H 2.996 0.030 1 1671 141 141 LYS C C 179.027 0.300 1 1672 141 141 LYS CA C 60.860 0.300 1 1673 141 141 LYS CB C 32.258 0.300 1 1674 141 141 LYS CG C 26.873 0.300 1 1675 141 141 LYS CD C 29.883 0.300 1 1676 141 141 LYS CE C 42.057 0.300 1 1677 141 141 LYS N N 116.996 0.300 1 1678 142 142 GLU H H 7.683 0.030 1 1679 142 142 GLU HA H 3.941 0.030 1 1680 142 142 GLU HB2 H 2.024 0.030 2 1681 142 142 GLU HB3 H 1.941 0.030 2 1682 142 142 GLU HG2 H 2.353 0.030 2 1683 142 142 GLU HG3 H 2.079 0.030 2 1684 142 142 GLU C C 179.769 0.300 1 1685 142 142 GLU CA C 59.352 0.300 1 1686 142 142 GLU CB C 29.039 0.300 1 1687 142 142 GLU CG C 36.415 0.300 1 1688 142 142 GLU N N 118.887 0.300 1 1689 143 143 LYS H H 7.675 0.030 1 1690 143 143 LYS HA H 3.569 0.030 1 1691 143 143 LYS HB2 H 0.779 0.030 2 1692 143 143 LYS HB3 H 0.194 0.030 2 1693 143 143 LYS HG2 H 0.166 0.030 2 1694 143 143 LYS HG3 H -0.564 0.030 2 1695 143 143 LYS HD2 H 0.947 0.030 2 1696 143 143 LYS HD3 H 0.967 0.030 2 1697 143 143 LYS HE2 H 2.403 0.030 2 1698 143 143 LYS HE3 H 2.683 0.030 2 1699 143 143 LYS C C 179.815 0.300 1 1700 143 143 LYS CA C 56.727 0.300 1 1701 143 143 LYS CB C 29.735 0.300 1 1702 143 143 LYS CG C 21.960 0.300 1 1703 143 143 LYS CD C 26.914 0.300 1 1704 143 143 LYS CE C 42.205 0.300 1 1705 143 143 LYS N N 118.928 0.300 1 1706 144 144 LEU H H 8.001 0.030 1 1707 144 144 LEU HA H 4.048 0.030 1 1708 144 144 LEU HB2 H 1.519 0.030 2 1709 144 144 LEU HB3 H 1.138 0.030 2 1710 144 144 LEU HG H 1.606 0.030 1 1711 144 144 LEU HD1 H 0.948 0.030 1 1712 144 144 LEU HD2 H 0.561 0.030 1 1713 144 144 LEU C C 178.004 0.300 1 1714 144 144 LEU CA C 56.522 0.300 1 1715 144 144 LEU CB C 42.057 0.300 1 1716 144 144 LEU CG C 26.766 0.300 1 1717 144 144 LEU CD1 C 22.906 0.300 2 1718 144 144 LEU CD2 C 26.469 0.300 2 1719 144 144 LEU N N 118.888 0.300 1 1720 145 145 ALA H H 7.660 0.030 1 1721 145 145 ALA HA H 4.297 0.030 1 1722 145 145 ALA HB H 1.520 0.030 1 1723 145 145 ALA C C 178.388 0.300 1 1724 145 145 ALA CA C 53.450 0.300 1 1725 145 145 ALA CB C 19.098 0.300 1 1726 145 145 ALA N N 121.724 0.300 1 1727 146 146 SER H H 7.692 0.030 1 1728 146 146 SER HA H 4.487 0.030 1 1729 146 146 SER HB2 H 3.966 0.030 1 1730 146 146 SER HB3 H 3.966 0.030 1 1731 146 146 SER C C 174.679 0.300 1 1732 146 146 SER CA C 58.850 0.300 1 1733 146 146 SER CB C 64.114 0.300 1 1734 146 146 SER N N 113.025 0.300 1 1735 147 147 GLY H H 8.085 0.030 1 1736 147 147 GLY HA2 H 4.132 0.030 2 1737 147 147 GLY HA3 H 4.279 0.030 2 1738 147 147 GLY C C 172.039 0.300 1 1739 147 147 GLY CA C 44.930 0.300 1 1740 147 147 GLY N N 110.377 0.300 1 1741 148 148 PRO HA H 4.524 0.030 1 1742 148 148 PRO HB2 H 2.344 0.030 2 1743 148 148 PRO HB3 H 2.020 0.030 2 1744 148 148 PRO HG2 H 2.071 0.030 1 1745 148 148 PRO HG3 H 2.071 0.030 1 1746 148 148 PRO HD2 H 3.700 0.030 1 1747 148 148 PRO HD3 H 3.700 0.030 1 1748 148 148 PRO C C 177.516 0.300 1 1749 148 148 PRO CA C 63.402 0.300 1 1750 148 148 PRO CB C 32.249 0.300 1 1751 148 148 PRO CG C 27.146 0.300 1 1752 148 148 PRO CD C 49.904 0.300 1 1753 149 149 SER H H 8.579 0.030 1 1754 149 149 SER HA H 4.549 0.030 1 1755 149 149 SER HB2 H 3.941 0.030 1 1756 149 149 SER HB3 H 3.941 0.030 1 1757 149 149 SER C C 174.729 0.300 1 1758 149 149 SER CA C 58.514 0.300 1 1759 149 149 SER CB C 64.026 0.300 1 1760 149 149 SER N N 116.428 0.300 1 1761 150 150 SER H H 8.337 0.030 1 1762 150 150 SER HA H 4.539 0.030 1 1763 150 150 SER HB2 H 3.953 0.030 1 1764 150 150 SER HB3 H 3.953 0.030 1 1765 150 150 SER C C 173.988 0.300 1 1766 150 150 SER CA C 58.384 0.300 1 1767 150 150 SER CB C 63.928 0.300 1 1768 150 150 SER N N 117.642 0.300 1 1769 151 151 GLY H H 8.117 0.030 1 1770 151 151 GLY HA2 H 3.844 0.030 2 1771 151 151 GLY HA3 H 3.792 0.030 2 1772 151 151 GLY C C 179.748 0.300 1 1773 151 151 GLY CA C 46.362 0.300 1 1774 151 151 GLY N N 116.885 0.300 1 stop_ save_