data_10068 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the CH domain from Mouse Trangelin ; _BMRB_accession_number 10068 _BMRB_flat_file_name bmr10068.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-26 _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 Kigawa T. . . 4 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" 835 "13C chemical shifts" 609 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the CH domain from Mouse Trangelin' _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 Kigawa T. . . 4 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 Transgelin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Transgelin $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 'Calponin homology (CH) domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; GSSGSSGEELEERLVEWIVV QCGPDVGRPDRGRLGFQVWL KNGVILSKLVNSLYPEGSKP VKVPENPPSMVFKQMEQVAQ FLKAAEDYGVIKTDMFQTVD LYEGKDMAAVQRTLMALGSL AVTKNDGNYRGDPNWFMKSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 GLU 10 LEU 11 GLU 12 GLU 13 ARG 14 LEU 15 VAL 16 GLU 17 TRP 18 ILE 19 VAL 20 VAL 21 GLN 22 CYS 23 GLY 24 PRO 25 ASP 26 VAL 27 GLY 28 ARG 29 PRO 30 ASP 31 ARG 32 GLY 33 ARG 34 LEU 35 GLY 36 PHE 37 GLN 38 VAL 39 TRP 40 LEU 41 LYS 42 ASN 43 GLY 44 VAL 45 ILE 46 LEU 47 SER 48 LYS 49 LEU 50 VAL 51 ASN 52 SER 53 LEU 54 TYR 55 PRO 56 GLU 57 GLY 58 SER 59 LYS 60 PRO 61 VAL 62 LYS 63 VAL 64 PRO 65 GLU 66 ASN 67 PRO 68 PRO 69 SER 70 MET 71 VAL 72 PHE 73 LYS 74 GLN 75 MET 76 GLU 77 GLN 78 VAL 79 ALA 80 GLN 81 PHE 82 LEU 83 LYS 84 ALA 85 ALA 86 GLU 87 ASP 88 TYR 89 GLY 90 VAL 91 ILE 92 LYS 93 THR 94 ASP 95 MET 96 PHE 97 GLN 98 THR 99 VAL 100 ASP 101 LEU 102 TYR 103 GLU 104 GLY 105 LYS 106 ASP 107 MET 108 ALA 109 ALA 110 VAL 111 GLN 112 ARG 113 THR 114 LEU 115 MET 116 ALA 117 LEU 118 GLY 119 SER 120 LEU 121 ALA 122 VAL 123 THR 124 LYS 125 ASN 126 ASP 127 GLY 128 ASN 129 TYR 130 ARG 131 GLY 132 ASP 133 PRO 134 ASN 135 TRP 136 PHE 137 MET 138 LYS 139 SER 140 GLY 141 PRO 142 SER 143 SER 144 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1UJO "Solution Structure Of The Ch Domain From Mouse Trangelin" 100.00 144 100.00 100.00 1.62e-99 DBJ BAA21811 "SM22 alpha [Homo sapiens]" 90.97 201 96.95 100.00 6.26e-89 DBJ BAA21839 "SM22 alpha [Homo sapiens]" 90.97 201 96.95 100.00 6.26e-89 DBJ BAB22427 "unnamed protein product [Mus musculus]" 90.97 201 100.00 100.00 1.28e-90 DBJ BAC36700 "unnamed protein product [Mus musculus]" 90.97 201 100.00 100.00 1.28e-90 DBJ BAG36752 "unnamed protein product [Homo sapiens]" 90.97 201 96.95 100.00 6.26e-89 EMBL CAA92941 "SM22 [Mus musculus]" 90.97 201 100.00 100.00 1.28e-90 EMBL CAG46482 "TAGLN [Homo sapiens]" 90.97 201 96.95 100.00 6.26e-89 EMBL CAH18406 "hypothetical protein [Homo sapiens]" 90.97 201 96.95 100.00 6.26e-89 GB AAA58375 "SM22, partial [Homo sapiens]" 90.97 201 96.95 99.24 3.74e-88 GB AAA79165 "SM22 alpha [Mus musculus]" 90.97 201 100.00 100.00 1.28e-90 GB AAA79166 "SM22 alpha [Mus musculus]" 90.97 201 100.00 100.00 1.28e-90 GB AAC08010 "smooth muscle protein 22-alpha [Sus scrofa]" 60.42 89 97.70 100.00 5.30e-54 GB AAC21582 "22 kDa actin-binding protein [Homo sapiens]" 90.97 201 96.95 100.00 6.26e-89 REF NP_001001522 "transgelin [Homo sapiens]" 90.97 201 96.95 100.00 6.26e-89 REF NP_003177 "transgelin [Homo sapiens]" 90.97 201 96.95 100.00 6.26e-89 REF NP_035656 "transgelin [Mus musculus]" 90.97 201 100.00 100.00 1.28e-90 REF XP_003253239 "PREDICTED: transgelin [Nomascus leucogenys]" 90.97 201 96.95 100.00 6.26e-89 REF XP_003253241 "PREDICTED: transgelin [Nomascus leucogenys]" 90.97 201 96.95 100.00 6.26e-89 SP P37804 "RecName: Full=Transgelin; AltName: Full=Actin-associated protein p27; AltName: Full=Smooth muscle protein 22-alpha; Short=SM22-" 90.97 201 100.00 100.00 1.28e-90 SP Q01995 "RecName: Full=Transgelin; AltName: Full=22 kDa actin-binding protein; AltName: Full=Protein WS3-10; AltName: Full=Smooth muscle" 90.97 201 96.95 100.00 6.26e-89 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 P020520-56 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 1.0 mM '[U-13C; U-15N]' 'Tris-HCl(pH 7.0)' 20 mM . NaCl 200 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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' 220 0.1 mM pH 7.0 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 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 Transgelin _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 3.905 0.030 1 2 1 1 GLY HA3 H 3.905 0.030 1 3 1 1 GLY CA C 43.739 0.300 1 4 6 6 SER HA H 4.518 0.030 1 5 6 6 SER CA C 58.844 0.300 1 6 7 7 GLY H H 8.637 0.030 1 7 7 7 GLY HA2 H 3.947 0.030 2 8 7 7 GLY HA3 H 4.031 0.030 2 9 7 7 GLY C C 175.078 0.300 1 10 7 7 GLY CA C 46.172 0.300 1 11 7 7 GLY N N 110.824 0.300 1 12 8 8 GLU H H 8.406 0.030 1 13 8 8 GLU HA H 4.132 0.030 1 14 8 8 GLU HB2 H 1.955 0.030 2 15 8 8 GLU HB3 H 2.048 0.030 2 16 8 8 GLU HG2 H 2.259 0.030 1 17 8 8 GLU HG3 H 2.259 0.030 1 18 8 8 GLU C C 177.533 0.300 1 19 8 8 GLU CA C 58.126 0.300 1 20 8 8 GLU CB C 29.818 0.300 1 21 8 8 GLU CG C 36.566 0.300 1 22 8 8 GLU N N 121.299 0.300 1 23 9 9 GLU H H 8.387 0.030 1 24 9 9 GLU HA H 4.130 0.030 1 25 9 9 GLU HB2 H 1.952 0.030 1 26 9 9 GLU HB3 H 1.952 0.030 1 27 9 9 GLU HG2 H 2.330 0.030 1 28 9 9 GLU HG3 H 2.330 0.030 1 29 9 9 GLU C C 178.314 0.300 1 30 9 9 GLU CA C 58.341 0.300 1 31 9 9 GLU CB C 29.736 0.300 1 32 9 9 GLU CG C 36.566 0.300 1 33 9 9 GLU N N 120.754 0.300 1 34 10 10 LEU H H 8.021 0.030 1 35 10 10 LEU HA H 4.094 0.030 1 36 10 10 LEU HB2 H 1.578 0.030 2 37 10 10 LEU HB3 H 1.657 0.030 2 38 10 10 LEU HG H 1.595 0.030 1 39 10 10 LEU HD1 H 0.938 0.030 1 40 10 10 LEU HD2 H 0.880 0.030 1 41 10 10 LEU C C 177.638 0.300 1 42 10 10 LEU CA C 57.381 0.300 1 43 10 10 LEU CB C 41.484 0.300 1 44 10 10 LEU CG C 27.238 0.300 1 45 10 10 LEU CD1 C 24.384 0.300 2 46 10 10 LEU CD2 C 24.017 0.300 2 47 10 10 LEU N N 121.503 0.300 1 48 11 11 GLU H H 7.937 0.030 1 49 11 11 GLU HA H 3.373 0.030 1 50 11 11 GLU HB2 H 1.837 0.030 2 51 11 11 GLU HB3 H 1.667 0.030 2 52 11 11 GLU HG2 H 1.484 0.030 1 53 11 11 GLU HG3 H 1.484 0.030 1 54 11 11 GLU C C 177.517 0.300 1 55 11 11 GLU CA C 60.464 0.300 1 56 11 11 GLU CB C 29.818 0.300 1 57 11 11 GLU CG C 36.820 0.300 1 58 11 11 GLU N N 118.977 0.300 1 59 12 12 GLU H H 7.830 0.030 1 60 12 12 GLU HA H 3.852 0.030 1 61 12 12 GLU HB2 H 2.032 0.030 2 62 12 12 GLU HB3 H 1.985 0.030 2 63 12 12 GLU HG2 H 2.205 0.030 2 64 12 12 GLU HG3 H 2.347 0.030 2 65 12 12 GLU C C 178.902 0.300 1 66 12 12 GLU CA C 59.659 0.300 1 67 12 12 GLU CB C 29.349 0.300 1 68 12 12 GLU CG C 36.484 0.300 1 69 12 12 GLU N N 116.747 0.300 1 70 13 13 ARG H H 7.680 0.030 1 71 13 13 ARG HA H 3.720 0.030 1 72 13 13 ARG HB2 H 1.598 0.030 2 73 13 13 ARG HB3 H 1.674 0.030 2 74 13 13 ARG HG2 H 1.241 0.030 2 75 13 13 ARG HG3 H 1.006 0.030 2 76 13 13 ARG HD2 H 2.434 0.030 2 77 13 13 ARG HD3 H 2.663 0.030 2 78 13 13 ARG HE H 7.153 0.030 1 79 13 13 ARG C C 177.985 0.300 1 80 13 13 ARG CA C 58.233 0.300 1 81 13 13 ARG CB C 29.356 0.300 1 82 13 13 ARG CG C 25.562 0.300 1 83 13 13 ARG CD C 42.584 0.300 1 84 13 13 ARG N N 119.621 0.300 1 85 13 13 ARG NE N 83.144 0.300 1 86 14 14 LEU H H 8.119 0.030 1 87 14 14 LEU HA H 4.510 0.030 1 88 14 14 LEU HB2 H 2.361 0.030 2 89 14 14 LEU HB3 H 1.564 0.030 2 90 14 14 LEU HG H 2.180 0.030 1 91 14 14 LEU HD1 H 1.271 0.030 1 92 14 14 LEU HD2 H 1.108 0.030 1 93 14 14 LEU C C 179.182 0.300 1 94 14 14 LEU CA C 58.314 0.300 1 95 14 14 LEU CB C 42.424 0.300 1 96 14 14 LEU CG C 26.899 0.300 1 97 14 14 LEU CD1 C 23.572 0.300 2 98 14 14 LEU CD2 C 26.677 0.300 2 99 14 14 LEU N N 118.314 0.300 1 100 15 15 VAL H H 8.526 0.030 1 101 15 15 VAL HA H 3.822 0.030 1 102 15 15 VAL HB H 2.214 0.030 1 103 15 15 VAL HG1 H 0.747 0.030 1 104 15 15 VAL HG2 H 1.135 0.030 1 105 15 15 VAL C C 177.185 0.300 1 106 15 15 VAL CA C 67.961 0.300 1 107 15 15 VAL CB C 32.050 0.300 1 108 15 15 VAL CG1 C 21.316 0.300 2 109 15 15 VAL CG2 C 24.078 0.300 2 110 15 15 VAL N N 119.193 0.300 1 111 16 16 GLU H H 7.810 0.030 1 112 16 16 GLU HA H 3.983 0.030 1 113 16 16 GLU HB2 H 1.878 0.030 2 114 16 16 GLU HB3 H 2.002 0.030 2 115 16 16 GLU HG2 H 2.412 0.030 1 116 16 16 GLU HG3 H 2.412 0.030 1 117 16 16 GLU C C 179.425 0.300 1 118 16 16 GLU CA C 59.171 0.300 1 119 16 16 GLU CB C 28.731 0.300 1 120 16 16 GLU CG C 35.907 0.300 1 121 16 16 GLU N N 116.266 0.300 1 122 17 17 TRP H H 8.368 0.030 1 123 17 17 TRP HA H 5.011 0.030 1 124 17 17 TRP HB2 H 3.517 0.030 2 125 17 17 TRP HB3 H 3.807 0.030 2 126 17 17 TRP HD1 H 7.587 0.030 1 127 17 17 TRP HE1 H 9.981 0.030 1 128 17 17 TRP HE3 H 7.633 0.030 1 129 17 17 TRP HZ2 H 7.199 0.030 1 130 17 17 TRP HZ3 H 7.070 0.030 1 131 17 17 TRP HH2 H 6.727 0.030 1 132 17 17 TRP C C 176.715 0.300 1 133 17 17 TRP CA C 60.031 0.300 1 134 17 17 TRP CB C 28.092 0.300 1 135 17 17 TRP CD1 C 126.849 0.300 1 136 17 17 TRP CE3 C 120.924 0.300 1 137 17 17 TRP CZ2 C 112.621 0.300 1 138 17 17 TRP CZ3 C 121.734 0.300 1 139 17 17 TRP CH2 C 123.312 0.300 1 140 17 17 TRP N N 118.760 0.300 1 141 17 17 TRP NE1 N 133.765 0.300 1 142 18 18 ILE H H 8.822 0.030 1 143 18 18 ILE HA H 2.998 0.030 1 144 18 18 ILE HB H 2.244 0.030 1 145 18 18 ILE HG12 H 0.624 0.030 2 146 18 18 ILE HG13 H 2.139 0.030 2 147 18 18 ILE HG2 H 0.643 0.030 1 148 18 18 ILE HD1 H 0.877 0.030 1 149 18 18 ILE C C 178.156 0.300 1 150 18 18 ILE CA C 66.814 0.300 1 151 18 18 ILE CB C 37.966 0.300 1 152 18 18 ILE CG1 C 31.120 0.300 1 153 18 18 ILE CG2 C 19.173 0.300 1 154 18 18 ILE CD1 C 13.876 0.300 1 155 18 18 ILE N N 120.067 0.300 1 156 19 19 VAL H H 8.682 0.030 1 157 19 19 VAL HA H 3.619 0.030 1 158 19 19 VAL HB H 2.240 0.030 1 159 19 19 VAL HG1 H 0.951 0.030 1 160 19 19 VAL HG2 H 1.210 0.030 1 161 19 19 VAL C C 179.473 0.300 1 162 19 19 VAL CA C 67.069 0.300 1 163 19 19 VAL CB C 31.770 0.300 1 164 19 19 VAL CG1 C 21.386 0.300 2 165 19 19 VAL CG2 C 22.853 0.300 2 166 19 19 VAL N N 118.629 0.300 1 167 20 20 VAL H H 8.142 0.030 1 168 20 20 VAL HA H 4.155 0.030 1 169 20 20 VAL HB H 2.400 0.030 1 170 20 20 VAL HG1 H 1.322 0.030 1 171 20 20 VAL HG2 H 1.271 0.030 1 172 20 20 VAL C C 177.981 0.300 1 173 20 20 VAL CA C 65.022 0.300 1 174 20 20 VAL CB C 31.838 0.300 1 175 20 20 VAL CG1 C 22.693 0.300 2 176 20 20 VAL CG2 C 21.629 0.300 2 177 20 20 VAL N N 119.223 0.300 1 178 21 21 GLN H H 8.541 0.030 1 179 21 21 GLN HA H 3.903 0.030 1 180 21 21 GLN HB2 H 1.741 0.030 2 181 21 21 GLN HB3 H 2.139 0.030 2 182 21 21 GLN HG2 H 1.646 0.030 2 183 21 21 GLN HG3 H 1.970 0.030 2 184 21 21 GLN HE21 H 7.660 0.030 2 185 21 21 GLN HE22 H 7.520 0.030 2 186 21 21 GLN C C 178.034 0.300 1 187 21 21 GLN CA C 58.420 0.300 1 188 21 21 GLN CB C 29.740 0.300 1 189 21 21 GLN CG C 33.689 0.300 1 190 21 21 GLN N N 119.868 0.300 1 191 21 21 GLN NE2 N 109.752 0.300 1 192 22 22 CYS H H 8.396 0.030 1 193 22 22 CYS HA H 4.210 0.030 1 194 22 22 CYS HB2 H 2.920 0.030 2 195 22 22 CYS HB3 H 2.750 0.030 2 196 22 22 CYS C C 176.140 0.300 1 197 22 22 CYS CA C 61.373 0.300 1 198 22 22 CYS CB C 30.134 0.300 1 199 22 22 CYS N N 112.378 0.300 1 200 23 23 GLY H H 8.064 0.030 1 201 23 23 GLY HA2 H 4.006 0.030 2 202 23 23 GLY HA3 H 4.594 0.030 2 203 23 23 GLY C C 171.985 0.300 1 204 23 23 GLY CA C 44.399 0.300 1 205 23 23 GLY N N 110.064 0.300 1 206 24 24 PRO HA H 4.462 0.030 1 207 24 24 PRO HB2 H 2.068 0.030 2 208 24 24 PRO HB3 H 2.333 0.030 2 209 24 24 PRO HG2 H 2.078 0.030 1 210 24 24 PRO HG3 H 2.078 0.030 1 211 24 24 PRO HD2 H 3.790 0.030 2 212 24 24 PRO HD3 H 3.667 0.030 2 213 24 24 PRO C C 178.950 0.300 1 214 24 24 PRO CA C 64.260 0.300 1 215 24 24 PRO CB C 31.987 0.300 1 216 24 24 PRO CG C 27.649 0.300 1 217 24 24 PRO CD C 49.873 0.300 1 218 25 25 ASP H H 8.748 0.030 1 219 25 25 ASP HA H 4.463 0.030 1 220 25 25 ASP HB2 H 2.674 0.030 2 221 25 25 ASP HB3 H 2.731 0.030 2 222 25 25 ASP C C 177.608 0.300 1 223 25 25 ASP CA C 56.139 0.300 1 224 25 25 ASP CB C 40.127 0.300 1 225 25 25 ASP N N 118.716 0.300 1 226 26 26 VAL H H 7.160 0.030 1 227 26 26 VAL HA H 4.250 0.030 1 228 26 26 VAL HB H 2.336 0.030 1 229 26 26 VAL HG1 H 0.851 0.030 1 230 26 26 VAL HG2 H 1.240 0.030 1 231 26 26 VAL C C 176.671 0.300 1 232 26 26 VAL CA C 62.239 0.300 1 233 26 26 VAL CB C 31.380 0.300 1 234 26 26 VAL CG1 C 22.528 0.300 2 235 26 26 VAL CG2 C 17.425 0.300 2 236 26 26 VAL N N 109.392 0.300 1 237 27 27 GLY H H 7.840 0.030 1 238 27 27 GLY HA2 H 3.845 0.030 2 239 27 27 GLY HA3 H 4.185 0.030 2 240 27 27 GLY C C 171.913 0.300 1 241 27 27 GLY CA C 45.668 0.300 1 242 27 27 GLY N N 110.597 0.300 1 243 28 28 ARG H H 7.823 0.030 1 244 28 28 ARG HA H 4.082 0.030 1 245 28 28 ARG HB2 H 1.250 0.030 2 246 28 28 ARG HB3 H 1.523 0.030 2 247 28 28 ARG HG2 H 1.562 0.030 2 248 28 28 ARG HG3 H 1.330 0.030 2 249 28 28 ARG HD2 H 3.029 0.030 2 250 28 28 ARG HD3 H 3.093 0.030 2 251 28 28 ARG HE H 7.298 0.030 1 252 28 28 ARG C C 173.002 0.300 1 253 28 28 ARG CA C 52.835 0.300 1 254 28 28 ARG CB C 32.810 0.300 1 255 28 28 ARG CG C 28.826 0.300 1 256 28 28 ARG CD C 42.976 0.300 1 257 28 28 ARG N N 117.700 0.300 1 258 28 28 ARG NE N 84.583 0.300 1 259 29 29 PRO HA H 3.779 0.030 1 260 29 29 PRO HB2 H 1.660 0.030 2 261 29 29 PRO HB3 H 1.506 0.030 2 262 29 29 PRO HG2 H 1.596 0.030 2 263 29 29 PRO HG3 H 1.275 0.030 2 264 29 29 PRO HD2 H 0.742 0.030 2 265 29 29 PRO HD3 H 2.720 0.030 2 266 29 29 PRO C C 176.867 0.300 1 267 29 29 PRO CA C 61.933 0.300 1 268 29 29 PRO CB C 31.121 0.300 1 269 29 29 PRO CG C 26.718 0.300 1 270 29 29 PRO CD C 48.322 0.300 1 271 30 30 ASP H H 8.564 0.030 1 272 30 30 ASP HA H 4.465 0.030 1 273 30 30 ASP HB2 H 2.509 0.030 2 274 30 30 ASP HB3 H 2.682 0.030 2 275 30 30 ASP C C 175.836 0.300 1 276 30 30 ASP CA C 54.289 0.300 1 277 30 30 ASP CB C 41.290 0.300 1 278 30 30 ASP N N 121.269 0.300 1 279 31 31 ARG H H 8.275 0.030 1 280 31 31 ARG HA H 4.140 0.030 1 281 31 31 ARG HB2 H 1.751 0.030 2 282 31 31 ARG HB3 H 1.846 0.030 2 283 31 31 ARG HG2 H 1.645 0.030 2 284 31 31 ARG HG3 H 1.702 0.030 2 285 31 31 ARG HD2 H 3.190 0.030 1 286 31 31 ARG HD3 H 3.190 0.030 1 287 31 31 ARG C C 177.259 0.300 1 288 31 31 ARG CA C 56.758 0.300 1 289 31 31 ARG CB C 30.384 0.300 1 290 31 31 ARG CG C 27.256 0.300 1 291 31 31 ARG CD C 43.168 0.300 1 292 31 31 ARG N N 119.200 0.300 1 293 32 32 GLY H H 8.458 0.030 1 294 32 32 GLY HA2 H 3.937 0.030 2 295 32 32 GLY HA3 H 4.382 0.030 2 296 32 32 GLY C C 175.029 0.300 1 297 32 32 GLY CA C 44.296 0.300 1 298 32 32 GLY N N 110.498 0.300 1 299 33 33 ARG HA H 4.158 0.030 1 300 33 33 ARG HB2 H 1.900 0.030 2 301 33 33 ARG HB3 H 1.931 0.030 2 302 33 33 ARG HG2 H 1.731 0.030 1 303 33 33 ARG HG3 H 1.731 0.030 1 304 33 33 ARG HD2 H 3.273 0.030 1 305 33 33 ARG HD3 H 3.273 0.030 1 306 33 33 ARG CA C 59.193 0.300 1 307 33 33 ARG CB C 30.367 0.300 1 308 33 33 ARG CG C 27.117 0.300 1 309 33 33 ARG CD C 43.243 0.300 1 310 34 34 LEU H H 8.512 0.030 1 311 34 34 LEU HA H 4.575 0.030 1 312 34 34 LEU HB2 H 1.712 0.030 2 313 34 34 LEU HB3 H 1.896 0.030 2 314 34 34 LEU HG H 1.643 0.030 1 315 34 34 LEU HD1 H 0.919 0.030 1 316 34 34 LEU HD2 H 0.952 0.030 1 317 34 34 LEU C C 177.707 0.300 1 318 34 34 LEU CA C 55.814 0.300 1 319 34 34 LEU CB C 41.220 0.300 1 320 34 34 LEU CG C 27.334 0.300 1 321 34 34 LEU CD1 C 23.332 0.300 2 322 34 34 LEU CD2 C 24.891 0.300 2 323 34 34 LEU N N 118.989 0.300 1 324 35 35 GLY H H 7.770 0.030 1 325 35 35 GLY HA2 H 3.652 0.030 2 326 35 35 GLY HA3 H 4.056 0.030 2 327 35 35 GLY C C 177.010 0.300 1 328 35 35 GLY CA C 47.746 0.300 1 329 35 35 GLY N N 106.796 0.300 1 330 36 36 PHE H H 8.836 0.030 1 331 36 36 PHE HA H 4.214 0.030 1 332 36 36 PHE HB2 H 3.272 0.030 2 333 36 36 PHE HB3 H 3.137 0.030 2 334 36 36 PHE HD1 H 7.165 0.030 1 335 36 36 PHE HD2 H 7.165 0.030 1 336 36 36 PHE HE1 H 7.153 0.030 1 337 36 36 PHE HE2 H 7.153 0.030 1 338 36 36 PHE HZ H 7.028 0.030 1 339 36 36 PHE C C 175.836 0.300 1 340 36 36 PHE CA C 62.259 0.300 1 341 36 36 PHE CB C 39.575 0.300 1 342 36 36 PHE CD1 C 132.413 0.300 1 343 36 36 PHE CD2 C 132.413 0.300 1 344 36 36 PHE CE1 C 130.419 0.300 1 345 36 36 PHE CE2 C 130.419 0.300 1 346 36 36 PHE CZ C 128.780 0.300 1 347 36 36 PHE N N 125.108 0.300 1 348 37 37 GLN H H 8.095 0.030 1 349 37 37 GLN HA H 3.591 0.030 1 350 37 37 GLN HB2 H 2.166 0.030 2 351 37 37 GLN HB3 H 2.676 0.030 2 352 37 37 GLN HG2 H 2.345 0.030 2 353 37 37 GLN HG3 H 2.749 0.030 2 354 37 37 GLN HE21 H 6.959 0.030 2 355 37 37 GLN HE22 H 6.178 0.030 2 356 37 37 GLN C C 178.205 0.300 1 357 37 37 GLN CA C 60.467 0.300 1 358 37 37 GLN CB C 26.577 0.300 1 359 37 37 GLN CG C 33.384 0.300 1 360 37 37 GLN N N 118.265 0.300 1 361 37 37 GLN NE2 N 106.138 0.300 1 362 38 38 VAL H H 8.465 0.030 1 363 38 38 VAL HA H 3.366 0.030 1 364 38 38 VAL HB H 2.101 0.030 1 365 38 38 VAL HG1 H 1.008 0.030 1 366 38 38 VAL HG2 H 1.115 0.030 1 367 38 38 VAL C C 178.156 0.300 1 368 38 38 VAL CA C 66.879 0.300 1 369 38 38 VAL CB C 32.148 0.300 1 370 38 38 VAL CG1 C 21.339 0.300 2 371 38 38 VAL CG2 C 23.363 0.300 2 372 38 38 VAL N N 118.196 0.300 1 373 39 39 TRP H H 8.021 0.030 1 374 39 39 TRP HA H 4.514 0.030 1 375 39 39 TRP HB2 H 3.255 0.030 2 376 39 39 TRP HB3 H 3.568 0.030 2 377 39 39 TRP HD1 H 7.228 0.030 1 378 39 39 TRP HE1 H 9.471 0.030 1 379 39 39 TRP HE3 H 7.145 0.030 1 380 39 39 TRP HZ2 H 7.355 0.030 1 381 39 39 TRP HZ3 H 6.875 0.030 1 382 39 39 TRP HH2 H 7.077 0.030 1 383 39 39 TRP C C 177.619 0.300 1 384 39 39 TRP CA C 59.043 0.300 1 385 39 39 TRP CB C 29.877 0.300 1 386 39 39 TRP CD1 C 126.544 0.300 1 387 39 39 TRP CE3 C 119.679 0.300 1 388 39 39 TRP CZ2 C 115.177 0.300 1 389 39 39 TRP CZ3 C 121.139 0.300 1 390 39 39 TRP CH2 C 123.916 0.300 1 391 39 39 TRP N N 121.052 0.300 1 392 39 39 TRP NE1 N 130.553 0.300 1 393 40 40 LEU H H 7.162 0.030 1 394 40 40 LEU HA H 4.144 0.030 1 395 40 40 LEU HB2 H 1.503 0.030 2 396 40 40 LEU HB3 H 1.126 0.030 2 397 40 40 LEU HG H 1.527 0.030 1 398 40 40 LEU HD1 H -0.022 0.030 1 399 40 40 LEU HD2 H -0.059 0.030 1 400 40 40 LEU C C 178.918 0.300 1 401 40 40 LEU CA C 53.928 0.300 1 402 40 40 LEU CB C 44.050 0.300 1 403 40 40 LEU CG C 25.535 0.300 1 404 40 40 LEU CD1 C 25.772 0.300 2 405 40 40 LEU CD2 C 21.600 0.300 2 406 40 40 LEU N N 112.220 0.300 1 407 41 41 LYS H H 7.708 0.030 1 408 41 41 LYS HA H 3.614 0.030 1 409 41 41 LYS HB2 H 1.972 0.030 2 410 41 41 LYS HB3 H 1.738 0.030 2 411 41 41 LYS HG2 H 1.298 0.030 2 412 41 41 LYS HG3 H 1.107 0.030 2 413 41 41 LYS HD2 H 1.383 0.030 2 414 41 41 LYS HD3 H 1.566 0.030 2 415 41 41 LYS HE2 H 2.488 0.030 2 416 41 41 LYS HE3 H 2.641 0.030 2 417 41 41 LYS C C 173.531 0.300 1 418 41 41 LYS CA C 61.200 0.300 1 419 41 41 LYS CB C 33.098 0.300 1 420 41 41 LYS CG C 24.981 0.300 1 421 41 41 LYS CD C 30.007 0.300 1 422 41 41 LYS CE C 41.806 0.300 1 423 41 41 LYS N N 122.024 0.300 1 424 42 42 ASN H H 8.073 0.030 1 425 42 42 ASN HA H 4.461 0.030 1 426 42 42 ASN HB2 H 2.825 0.030 2 427 42 42 ASN HB3 H 3.288 0.030 2 428 42 42 ASN HD21 H 7.475 0.030 2 429 42 42 ASN HD22 H 7.963 0.030 2 430 42 42 ASN C C 176.007 0.300 1 431 42 42 ASN CA C 52.725 0.300 1 432 42 42 ASN CB C 37.656 0.300 1 433 42 42 ASN N N 108.604 0.300 1 434 42 42 ASN ND2 N 113.178 0.300 1 435 43 43 GLY H H 7.532 0.030 1 436 43 43 GLY HA2 H 3.849 0.030 2 437 43 43 GLY HA3 H 3.391 0.030 2 438 43 43 GLY C C 176.381 0.300 1 439 43 43 GLY CA C 47.435 0.300 1 440 43 43 GLY N N 100.551 0.300 1 441 44 44 VAL H H 8.222 0.030 1 442 44 44 VAL HA H 3.239 0.030 1 443 44 44 VAL HB H 2.127 0.030 1 444 44 44 VAL HG1 H 0.779 0.030 1 445 44 44 VAL HG2 H 0.800 0.030 1 446 44 44 VAL C C 176.792 0.300 1 447 44 44 VAL CA C 68.646 0.300 1 448 44 44 VAL CB C 31.024 0.300 1 449 44 44 VAL CG1 C 20.903 0.300 2 450 44 44 VAL CG2 C 23.152 0.300 2 451 44 44 VAL N N 124.457 0.300 1 452 45 45 ILE H H 7.971 0.030 1 453 45 45 ILE HA H 3.158 0.030 1 454 45 45 ILE HB H 1.012 0.030 1 455 45 45 ILE HG12 H 0.466 0.030 2 456 45 45 ILE HG13 H 1.296 0.030 2 457 45 45 ILE HG2 H -0.072 0.030 1 458 45 45 ILE HD1 H -0.073 0.030 1 459 45 45 ILE C C 177.469 0.300 1 460 45 45 ILE CA C 66.489 0.300 1 461 45 45 ILE CB C 36.300 0.300 1 462 45 45 ILE CG1 C 29.624 0.300 1 463 45 45 ILE CG2 C 17.223 0.300 1 464 45 45 ILE CD1 C 11.888 0.300 1 465 45 45 ILE N N 120.074 0.300 1 466 46 46 LEU H H 8.821 0.030 1 467 46 46 LEU HA H 3.402 0.030 1 468 46 46 LEU HB2 H 0.980 0.030 2 469 46 46 LEU HB3 H -0.002 0.030 2 470 46 46 LEU HG H 1.474 0.030 1 471 46 46 LEU HD1 H 0.545 0.030 1 472 46 46 LEU HD2 H 0.259 0.030 1 473 46 46 LEU C C 178.303 0.300 1 474 46 46 LEU CA C 57.417 0.300 1 475 46 46 LEU CB C 39.034 0.300 1 476 46 46 LEU CG C 25.950 0.300 1 477 46 46 LEU CD1 C 26.240 0.300 2 478 46 46 LEU CD2 C 22.939 0.300 2 479 46 46 LEU N N 118.065 0.300 1 480 47 47 SER H H 7.541 0.030 1 481 47 47 SER HA H 4.110 0.030 1 482 47 47 SER HB2 H 4.291 0.030 2 483 47 47 SER HB3 H 3.420 0.030 2 484 47 47 SER C C 174.401 0.300 1 485 47 47 SER CA C 63.566 0.300 1 486 47 47 SER CB C 62.461 0.300 1 487 47 47 SER N N 114.890 0.300 1 488 48 48 LYS H H 8.220 0.030 1 489 48 48 LYS HA H 3.957 0.030 1 490 48 48 LYS HB2 H 2.001 0.030 2 491 48 48 LYS HB3 H 1.768 0.030 2 492 48 48 LYS HG2 H 1.408 0.030 2 493 48 48 LYS HG3 H 1.601 0.030 2 494 48 48 LYS HD2 H 1.314 0.030 2 495 48 48 LYS HD3 H 1.528 0.030 2 496 48 48 LYS HE2 H 2.694 0.030 2 497 48 48 LYS HE3 H 2.799 0.030 2 498 48 48 LYS C C 179.498 0.300 1 499 48 48 LYS CA C 60.141 0.300 1 500 48 48 LYS CB C 32.708 0.300 1 501 48 48 LYS CG C 26.638 0.300 1 502 48 48 LYS CD C 30.239 0.300 1 503 48 48 LYS CE C 42.057 0.300 1 504 48 48 LYS N N 121.735 0.300 1 505 49 49 LEU H H 8.807 0.030 1 506 49 49 LEU HA H 3.790 0.030 1 507 49 49 LEU HB2 H 0.976 0.030 2 508 49 49 LEU HB3 H 2.184 0.030 2 509 49 49 LEU HG H 1.025 0.030 1 510 49 49 LEU HD1 H -0.105 0.030 1 511 49 49 LEU HD2 H 0.599 0.030 1 512 49 49 LEU C C 179.304 0.300 1 513 49 49 LEU CA C 57.990 0.300 1 514 49 49 LEU CB C 41.611 0.300 1 515 49 49 LEU CG C 27.192 0.300 1 516 49 49 LEU CD1 C 22.039 0.300 2 517 49 49 LEU CD2 C 26.184 0.300 2 518 49 49 LEU N N 123.094 0.300 1 519 50 50 VAL H H 8.327 0.030 1 520 50 50 VAL HA H 3.974 0.030 1 521 50 50 VAL HB H 2.189 0.030 1 522 50 50 VAL HG1 H 1.295 0.030 1 523 50 50 VAL HG2 H 1.003 0.030 1 524 50 50 VAL C C 176.792 0.300 1 525 50 50 VAL CA C 65.635 0.300 1 526 50 50 VAL CB C 31.927 0.300 1 527 50 50 VAL CG1 C 21.515 0.300 2 528 50 50 VAL CG2 C 22.619 0.300 2 529 50 50 VAL N N 119.690 0.300 1 530 51 51 ASN H H 8.040 0.030 1 531 51 51 ASN HA H 4.606 0.030 1 532 51 51 ASN HB2 H 2.998 0.030 2 533 51 51 ASN HB3 H 2.648 0.030 2 534 51 51 ASN HD21 H 7.184 0.030 2 535 51 51 ASN HD22 H 8.067 0.030 2 536 51 51 ASN C C 178.913 0.300 1 537 51 51 ASN CA C 55.618 0.300 1 538 51 51 ASN CB C 37.550 0.300 1 539 51 51 ASN N N 121.168 0.300 1 540 51 51 ASN ND2 N 107.441 0.300 1 541 52 52 SER H H 7.991 0.030 1 542 52 52 SER HA H 4.406 0.030 1 543 52 52 SER HB2 H 4.095 0.030 2 544 52 52 SER HB3 H 4.033 0.030 2 545 52 52 SER C C 173.784 0.300 1 546 52 52 SER CA C 61.177 0.300 1 547 52 52 SER CB C 62.777 0.300 1 548 52 52 SER N N 116.178 0.300 1 549 53 53 LEU H H 7.411 0.030 1 550 53 53 LEU HA H 4.365 0.030 1 551 53 53 LEU HB2 H 1.814 0.030 2 552 53 53 LEU HB3 H 1.522 0.030 2 553 53 53 LEU HG H 1.889 0.030 1 554 53 53 LEU HD1 H 0.614 0.030 1 555 53 53 LEU HD2 H 0.960 0.030 1 556 53 53 LEU C C 175.947 0.300 1 557 53 53 LEU CA C 54.556 0.300 1 558 53 53 LEU CB C 40.596 0.300 1 559 53 53 LEU CG C 26.110 0.300 1 560 53 53 LEU CD1 C 24.892 0.300 2 561 53 53 LEU CD2 C 21.923 0.300 2 562 53 53 LEU N N 119.601 0.300 1 563 54 54 TYR H H 7.938 0.030 1 564 54 54 TYR HA H 4.798 0.030 1 565 54 54 TYR HB2 H 2.853 0.030 2 566 54 54 TYR HB3 H 2.940 0.030 2 567 54 54 TYR HD1 H 7.475 0.030 1 568 54 54 TYR HD2 H 7.475 0.030 1 569 54 54 TYR HE1 H 6.806 0.030 1 570 54 54 TYR HE2 H 6.806 0.030 1 571 54 54 TYR C C 172.758 0.300 1 572 54 54 TYR CA C 56.182 0.300 1 573 54 54 TYR CB C 41.299 0.300 1 574 54 54 TYR CD1 C 133.629 0.300 1 575 54 54 TYR CD2 C 133.629 0.300 1 576 54 54 TYR CE1 C 118.951 0.300 1 577 54 54 TYR CE2 C 118.951 0.300 1 578 54 54 TYR N N 120.815 0.300 1 579 55 55 PRO HA H 4.673 0.030 1 580 55 55 PRO HB2 H 2.084 0.030 2 581 55 55 PRO HB3 H 2.459 0.030 2 582 55 55 PRO HG2 H 2.096 0.030 2 583 55 55 PRO HG3 H 2.185 0.030 2 584 55 55 PRO HD2 H 3.861 0.030 1 585 55 55 PRO HD3 H 3.861 0.030 1 586 55 55 PRO CA C 61.796 0.300 1 587 55 55 PRO CB C 32.570 0.300 1 588 55 55 PRO CG C 27.224 0.300 1 589 55 55 PRO CD C 50.743 0.300 1 590 56 56 GLU H H 8.654 0.030 1 591 56 56 GLU HA H 3.974 0.030 1 592 56 56 GLU HB2 H 2.049 0.030 1 593 56 56 GLU HB3 H 2.049 0.030 1 594 56 56 GLU HG2 H 2.380 0.030 1 595 56 56 GLU HG3 H 2.380 0.030 1 596 56 56 GLU C C 177.583 0.300 1 597 56 56 GLU CA C 58.583 0.300 1 598 56 56 GLU CB C 29.447 0.300 1 599 56 56 GLU CG C 35.781 0.300 1 600 56 56 GLU N N 119.900 0.300 1 601 57 57 GLY H H 8.922 0.030 1 602 57 57 GLY HA2 H 3.826 0.030 2 603 57 57 GLY HA3 H 4.406 0.030 2 604 57 57 GLY CA C 45.417 0.300 1 605 57 57 GLY N N 114.085 0.300 1 606 58 58 SER H H 8.044 0.030 1 607 58 58 SER HA H 4.772 0.030 1 608 58 58 SER HB2 H 3.774 0.030 2 609 58 58 SER HB3 H 4.207 0.030 2 610 58 58 SER C C 173.625 0.300 1 611 58 58 SER CA C 56.746 0.300 1 612 58 58 SER CB C 64.463 0.300 1 613 58 58 SER N N 115.562 0.300 1 614 59 59 LYS H H 7.940 0.030 1 615 59 59 LYS HA H 4.140 0.030 1 616 59 59 LYS HB2 H 1.830 0.030 2 617 59 59 LYS HB3 H 1.447 0.030 2 618 59 59 LYS HG2 H 1.533 0.030 2 619 59 59 LYS HG3 H 1.647 0.030 2 620 59 59 LYS HE2 H 2.737 0.030 2 621 59 59 LYS HE3 H 3.071 0.030 2 622 59 59 LYS C C 177.106 0.300 1 623 59 59 LYS CA C 53.826 0.300 1 624 59 59 LYS CB C 31.052 0.300 1 625 59 59 LYS CG C 25.173 0.300 1 626 59 59 LYS CE C 43.076 0.300 1 627 59 59 LYS N N 122.364 0.300 1 628 60 60 PRO HA H 4.240 0.030 1 629 60 60 PRO HB2 H 1.753 0.030 2 630 60 60 PRO HB3 H 1.912 0.030 2 631 60 60 PRO HG2 H 1.749 0.030 2 632 60 60 PRO HG3 H 1.436 0.030 2 633 60 60 PRO HD2 H 2.936 0.030 2 634 60 60 PRO HD3 H 3.768 0.030 2 635 60 60 PRO C C 177.285 0.300 1 636 60 60 PRO CA C 64.768 0.300 1 637 60 60 PRO CB C 32.611 0.300 1 638 60 60 PRO CG C 26.852 0.300 1 639 60 60 PRO CD C 51.571 0.300 1 640 61 61 VAL H H 8.679 0.030 1 641 61 61 VAL HA H 4.273 0.030 1 642 61 61 VAL HB H 1.910 0.030 1 643 61 61 VAL HG1 H 0.852 0.030 1 644 61 61 VAL HG2 H 0.734 0.030 1 645 61 61 VAL C C 176.092 0.300 1 646 61 61 VAL CA C 61.790 0.300 1 647 61 61 VAL CB C 33.536 0.300 1 648 61 61 VAL CG1 C 22.327 0.300 2 649 61 61 VAL CG2 C 23.091 0.300 2 650 61 61 VAL N N 120.220 0.300 1 651 62 62 LYS H H 8.854 0.030 1 652 62 62 LYS HA H 4.260 0.030 1 653 62 62 LYS HB2 H 1.752 0.030 1 654 62 62 LYS HB3 H 1.752 0.030 1 655 62 62 LYS HG2 H 1.411 0.030 2 656 62 62 LYS HG3 H 1.293 0.030 2 657 62 62 LYS HD2 H 1.647 0.030 1 658 62 62 LYS HD3 H 1.647 0.030 1 659 62 62 LYS HE2 H 2.974 0.030 1 660 62 62 LYS HE3 H 2.974 0.030 1 661 62 62 LYS C C 175.494 0.300 1 662 62 62 LYS CA C 56.126 0.300 1 663 62 62 LYS CB C 31.918 0.300 1 664 62 62 LYS CG C 24.818 0.300 1 665 62 62 LYS CD C 28.869 0.300 1 666 62 62 LYS CE C 42.254 0.300 1 667 62 62 LYS N N 129.748 0.300 1 668 63 63 VAL H H 8.702 0.030 1 669 63 63 VAL HA H 4.354 0.030 1 670 63 63 VAL HB H 1.956 0.030 1 671 63 63 VAL HG1 H 0.871 0.030 1 672 63 63 VAL HG2 H 0.751 0.030 1 673 63 63 VAL C C 174.028 0.300 1 674 63 63 VAL CA C 59.336 0.300 1 675 63 63 VAL CB C 33.176 0.300 1 676 63 63 VAL CG1 C 21.922 0.300 2 677 63 63 VAL CG2 C 22.013 0.300 2 678 63 63 VAL N N 128.430 0.300 1 679 64 64 PRO HA H 4.460 0.030 1 680 64 64 PRO HB2 H 2.028 0.030 2 681 64 64 PRO HB3 H 2.296 0.030 2 682 64 64 PRO HG2 H 1.874 0.030 2 683 64 64 PRO HG3 H 1.957 0.030 2 684 64 64 PRO HD2 H 3.868 0.030 2 685 64 64 PRO HD3 H 3.462 0.030 2 686 64 64 PRO C C 176.188 0.300 1 687 64 64 PRO CA C 62.468 0.300 1 688 64 64 PRO CB C 32.183 0.300 1 689 64 64 PRO CG C 27.285 0.300 1 690 64 64 PRO CD C 51.023 0.300 1 691 65 65 GLU H H 8.614 0.030 1 692 65 65 GLU HA H 3.949 0.030 1 693 65 65 GLU HB2 H 1.976 0.030 1 694 65 65 GLU HB3 H 1.976 0.030 1 695 65 65 GLU HG2 H 2.278 0.030 2 696 65 65 GLU HG3 H 2.322 0.030 2 697 65 65 GLU C C 176.237 0.300 1 698 65 65 GLU CA C 58.662 0.300 1 699 65 65 GLU CB C 29.974 0.300 1 700 65 65 GLU CG C 36.401 0.300 1 701 65 65 GLU N N 121.331 0.300 1 702 66 66 ASN H H 7.852 0.030 1 703 66 66 ASN HA H 5.162 0.030 1 704 66 66 ASN HB2 H 2.679 0.030 2 705 66 66 ASN HB3 H 2.537 0.030 2 706 66 66 ASN HD21 H 6.976 0.030 2 707 66 66 ASN HD22 H 7.599 0.030 2 708 66 66 ASN C C 172.154 0.300 1 709 66 66 ASN CA C 49.911 0.300 1 710 66 66 ASN CB C 39.865 0.300 1 711 66 66 ASN N N 115.259 0.300 1 712 66 66 ASN ND2 N 114.264 0.300 1 713 67 67 PRO HA H 4.316 0.030 1 714 67 67 PRO HB2 H 1.880 0.030 2 715 67 67 PRO HB3 H 2.183 0.030 2 716 67 67 PRO HG2 H 2.133 0.030 2 717 67 67 PRO HG3 H 1.940 0.030 2 718 67 67 PRO HD2 H 3.680 0.030 2 719 67 67 PRO HD3 H 3.847 0.030 2 720 67 67 PRO CA C 61.272 0.300 1 721 67 67 PRO CB C 31.031 0.300 1 722 67 67 PRO CG C 27.705 0.300 1 723 67 67 PRO CD C 50.590 0.300 1 724 68 68 PRO HA H 4.562 0.030 1 725 68 68 PRO HB2 H 1.840 0.030 2 726 68 68 PRO HB3 H 2.326 0.030 2 727 68 68 PRO HG2 H 2.088 0.030 1 728 68 68 PRO HG3 H 2.088 0.030 1 729 68 68 PRO HD2 H 3.638 0.030 1 730 68 68 PRO HD3 H 3.638 0.030 1 731 68 68 PRO C C 176.188 0.300 1 732 68 68 PRO CA C 62.793 0.300 1 733 68 68 PRO CB C 32.405 0.300 1 734 68 68 PRO CG C 27.691 0.300 1 735 68 68 PRO CD C 50.659 0.300 1 736 69 69 SER HA H 4.457 0.030 1 737 69 69 SER HB2 H 3.880 0.030 2 738 69 69 SER HB3 H 3.967 0.030 2 739 69 69 SER C C 174.715 0.300 1 740 69 69 SER CA C 59.020 0.300 1 741 69 69 SER CB C 64.220 0.300 1 742 70 70 MET H H 7.747 0.030 1 743 70 70 MET HA H 4.609 0.030 1 744 70 70 MET HB2 H 2.129 0.030 2 745 70 70 MET HB3 H 1.859 0.030 2 746 70 70 MET HG2 H 2.728 0.030 2 747 70 70 MET HG3 H 2.813 0.030 2 748 70 70 MET HE H 2.254 0.030 1 749 70 70 MET C C 177.589 0.300 1 750 70 70 MET CA C 55.644 0.300 1 751 70 70 MET CB C 33.709 0.300 1 752 70 70 MET CG C 32.547 0.300 1 753 70 70 MET CE C 17.662 0.300 1 754 70 70 MET N N 121.158 0.300 1 755 71 71 VAL H H 8.806 0.030 1 756 71 71 VAL HA H 3.624 0.030 1 757 71 71 VAL HB H 2.141 0.030 1 758 71 71 VAL HG1 H 0.930 0.030 1 759 71 71 VAL HG2 H 1.192 0.030 1 760 71 71 VAL CA C 66.984 0.300 1 761 71 71 VAL CB C 31.739 0.300 1 762 71 71 VAL CG1 C 20.678 0.300 2 763 71 71 VAL CG2 C 22.143 0.300 2 764 71 71 VAL N N 126.653 0.300 1 765 72 72 PHE H H 8.518 0.030 1 766 72 72 PHE HA H 4.313 0.030 1 767 72 72 PHE HB2 H 3.124 0.030 2 768 72 72 PHE HB3 H 3.236 0.030 2 769 72 72 PHE HD1 H 7.290 0.030 1 770 72 72 PHE HD2 H 7.290 0.030 1 771 72 72 PHE HE1 H 7.426 0.030 1 772 72 72 PHE HE2 H 7.426 0.030 1 773 72 72 PHE HZ H 7.365 0.030 1 774 72 72 PHE C C 177.985 0.300 1 775 72 72 PHE CA C 60.708 0.300 1 776 72 72 PHE CB C 38.004 0.300 1 777 72 72 PHE CD1 C 131.818 0.300 1 778 72 72 PHE CD2 C 131.818 0.300 1 779 72 72 PHE CE1 C 131.842 0.300 1 780 72 72 PHE CE2 C 131.842 0.300 1 781 72 72 PHE CZ C 130.418 0.300 1 782 72 72 PHE N N 116.635 0.300 1 783 73 73 LYS H H 6.564 0.030 1 784 73 73 LYS HA H 4.075 0.030 1 785 73 73 LYS HB2 H 1.827 0.030 2 786 73 73 LYS HB3 H 1.794 0.030 2 787 73 73 LYS HG2 H 1.216 0.030 2 788 73 73 LYS HG3 H 1.395 0.030 2 789 73 73 LYS HD2 H 1.724 0.030 1 790 73 73 LYS HD3 H 1.724 0.030 1 791 73 73 LYS HE2 H 3.035 0.030 1 792 73 73 LYS HE3 H 3.035 0.030 1 793 73 73 LYS C C 179.329 0.300 1 794 73 73 LYS CA C 57.365 0.300 1 795 73 73 LYS CB C 32.559 0.300 1 796 73 73 LYS CG C 24.915 0.300 1 797 73 73 LYS CD C 28.405 0.300 1 798 73 73 LYS CE C 42.007 0.300 1 799 73 73 LYS N N 117.803 0.300 1 800 74 74 GLN H H 7.870 0.030 1 801 74 74 GLN HA H 4.215 0.030 1 802 74 74 GLN HB2 H 2.406 0.030 2 803 74 74 GLN HB3 H 2.236 0.030 2 804 74 74 GLN HG2 H 2.399 0.030 2 805 74 74 GLN HG3 H 2.616 0.030 2 806 74 74 GLN HE21 H 7.507 0.030 2 807 74 74 GLN HE22 H 6.986 0.030 2 808 74 74 GLN C C 177.710 0.300 1 809 74 74 GLN CA C 59.157 0.300 1 810 74 74 GLN CB C 28.666 0.300 1 811 74 74 GLN CG C 33.937 0.300 1 812 74 74 GLN N N 121.710 0.300 1 813 74 74 GLN NE2 N 110.902 0.300 1 814 75 75 MET H H 8.114 0.030 1 815 75 75 MET HA H 3.607 0.030 1 816 75 75 MET HB2 H 1.361 0.030 2 817 75 75 MET HB3 H 1.921 0.030 2 818 75 75 MET HG2 H 1.943 0.030 2 819 75 75 MET HG3 H 2.045 0.030 2 820 75 75 MET HE H 1.902 0.030 1 821 75 75 MET C C 178.604 0.300 1 822 75 75 MET CA C 60.141 0.300 1 823 75 75 MET CB C 32.248 0.300 1 824 75 75 MET CG C 32.631 0.300 1 825 75 75 MET CE C 17.034 0.300 1 826 75 75 MET N N 116.178 0.300 1 827 76 76 GLU H H 7.760 0.030 1 828 76 76 GLU HA H 4.065 0.030 1 829 76 76 GLU HB2 H 2.049 0.030 2 830 76 76 GLU HB3 H 2.107 0.030 2 831 76 76 GLU HG2 H 2.179 0.030 2 832 76 76 GLU HG3 H 2.401 0.030 2 833 76 76 GLU C C 178.327 0.300 1 834 76 76 GLU CA C 59.092 0.300 1 835 76 76 GLU CB C 29.974 0.300 1 836 76 76 GLU CG C 36.772 0.300 1 837 76 76 GLU N N 118.661 0.300 1 838 77 77 GLN H H 7.694 0.030 1 839 77 77 GLN HA H 3.805 0.030 1 840 77 77 GLN HB2 H 2.846 0.030 2 841 77 77 GLN HB3 H 2.350 0.030 2 842 77 77 GLN HG2 H 2.083 0.030 2 843 77 77 GLN HG3 H 2.172 0.030 2 844 77 77 GLN HE21 H 7.528 0.030 2 845 77 77 GLN HE22 H 6.972 0.030 2 846 77 77 GLN C C 178.773 0.300 1 847 77 77 GLN CA C 58.682 0.300 1 848 77 77 GLN CB C 28.520 0.300 1 849 77 77 GLN CG C 33.022 0.300 1 850 77 77 GLN N N 122.010 0.300 1 851 77 77 GLN NE2 N 111.617 0.300 1 852 78 78 VAL H H 7.894 0.030 1 853 78 78 VAL HA H 3.591 0.030 1 854 78 78 VAL HB H 2.505 0.030 1 855 78 78 VAL HG1 H 1.326 0.030 1 856 78 78 VAL HG2 H 1.188 0.030 1 857 78 78 VAL C C 177.855 0.300 1 858 78 78 VAL CA C 67.518 0.300 1 859 78 78 VAL CB C 31.581 0.300 1 860 78 78 VAL CG1 C 23.501 0.300 2 861 78 78 VAL CG2 C 24.150 0.300 2 862 78 78 VAL N N 118.548 0.300 1 863 79 79 ALA H H 8.398 0.030 1 864 79 79 ALA HA H 4.065 0.030 1 865 79 79 ALA HB H 1.587 0.030 1 866 79 79 ALA C C 180.965 0.300 1 867 79 79 ALA CA C 55.540 0.300 1 868 79 79 ALA CB C 17.812 0.300 1 869 79 79 ALA N N 121.735 0.300 1 870 80 80 GLN H H 8.279 0.030 1 871 80 80 GLN HA H 4.085 0.030 1 872 80 80 GLN HB2 H 2.339 0.030 2 873 80 80 GLN HB3 H 2.191 0.030 2 874 80 80 GLN HG2 H 2.572 0.030 2 875 80 80 GLN HG3 H 2.658 0.030 2 876 80 80 GLN HE21 H 7.301 0.030 2 877 80 80 GLN HE22 H 6.830 0.030 2 878 80 80 GLN C C 179.573 0.300 1 879 80 80 GLN CA C 59.020 0.300 1 880 80 80 GLN CB C 28.689 0.300 1 881 80 80 GLN CG C 34.441 0.300 1 882 80 80 GLN N N 118.891 0.300 1 883 80 80 GLN NE2 N 112.270 0.300 1 884 81 81 PHE H H 7.852 0.030 1 885 81 81 PHE HA H 4.090 0.030 1 886 81 81 PHE HB2 H 3.128 0.030 2 887 81 81 PHE HB3 H 3.583 0.030 2 888 81 81 PHE HD1 H 7.121 0.030 1 889 81 81 PHE HD2 H 7.121 0.030 1 890 81 81 PHE HZ H 6.999 0.030 1 891 81 81 PHE C C 175.391 0.300 1 892 81 81 PHE CA C 61.666 0.300 1 893 81 81 PHE CB C 37.289 0.300 1 894 81 81 PHE CD1 C 133.514 0.300 1 895 81 81 PHE CD2 C 133.514 0.300 1 896 81 81 PHE CZ C 128.370 0.300 1 897 81 81 PHE N N 121.148 0.300 1 898 82 82 LEU H H 8.249 0.030 1 899 82 82 LEU HA H 3.271 0.030 1 900 82 82 LEU HB2 H 1.859 0.030 2 901 82 82 LEU HB3 H 1.224 0.030 2 902 82 82 LEU HG H 1.602 0.030 1 903 82 82 LEU HD1 H 0.656 0.030 1 904 82 82 LEU HD2 H -0.121 0.030 1 905 82 82 LEU C C 179.135 0.300 1 906 82 82 LEU CA C 57.873 0.300 1 907 82 82 LEU CB C 41.263 0.300 1 908 82 82 LEU CG C 26.922 0.300 1 909 82 82 LEU CD1 C 25.806 0.300 2 910 82 82 LEU CD2 C 21.158 0.300 2 911 82 82 LEU N N 120.889 0.300 1 912 83 83 LYS H H 7.692 0.030 1 913 83 83 LYS HA H 4.048 0.030 1 914 83 83 LYS HB2 H 1.868 0.030 1 915 83 83 LYS HB3 H 1.868 0.030 1 916 83 83 LYS HG2 H 1.465 0.030 1 917 83 83 LYS HG3 H 1.465 0.030 1 918 83 83 LYS HD2 H 1.722 0.030 1 919 83 83 LYS HD3 H 1.722 0.030 1 920 83 83 LYS HE2 H 3.007 0.030 1 921 83 83 LYS HE3 H 3.007 0.030 1 922 83 83 LYS C C 178.327 0.300 1 923 83 83 LYS CA C 58.753 0.300 1 924 83 83 LYS CB C 32.101 0.300 1 925 83 83 LYS CG C 24.649 0.300 1 926 83 83 LYS CD C 28.546 0.300 1 927 83 83 LYS CE C 42.336 0.300 1 928 83 83 LYS N N 119.317 0.300 1 929 84 84 ALA H H 7.535 0.030 1 930 84 84 ALA HA H 4.175 0.030 1 931 84 84 ALA HB H 1.356 0.030 1 932 84 84 ALA C C 180.150 0.300 1 933 84 84 ALA CA C 54.347 0.300 1 934 84 84 ALA CB C 19.187 0.300 1 935 84 84 ALA N N 121.032 0.300 1 936 85 85 ALA H H 8.730 0.030 1 937 85 85 ALA HA H 3.782 0.030 1 938 85 85 ALA HB H 0.885 0.030 1 939 85 85 ALA C C 178.840 0.300 1 940 85 85 ALA CA C 55.084 0.300 1 941 85 85 ALA CB C 16.394 0.300 1 942 85 85 ALA N N 122.512 0.300 1 943 86 86 GLU H H 7.840 0.030 1 944 86 86 GLU HA H 4.417 0.030 1 945 86 86 GLU HB2 H 2.098 0.030 2 946 86 86 GLU HB3 H 2.179 0.030 2 947 86 86 GLU HG2 H 2.190 0.030 2 948 86 86 GLU HG3 H 2.480 0.030 2 949 86 86 GLU C C 181.014 0.300 1 950 86 86 GLU CA C 59.118 0.300 1 951 86 86 GLU CB C 29.548 0.300 1 952 86 86 GLU CG C 36.312 0.300 1 953 86 86 GLU N N 120.149 0.300 1 954 87 87 ASP H H 8.244 0.030 1 955 87 87 ASP HA H 4.356 0.030 1 956 87 87 ASP HB2 H 2.831 0.030 1 957 87 87 ASP HB3 H 2.831 0.030 1 958 87 87 ASP C C 178.145 0.300 1 959 87 87 ASP CA C 57.338 0.300 1 960 87 87 ASP CB C 40.432 0.300 1 961 87 87 ASP N N 121.965 0.300 1 962 88 88 TYR H H 8.267 0.030 1 963 88 88 TYR HA H 4.158 0.030 1 964 88 88 TYR HB2 H 3.352 0.030 2 965 88 88 TYR HB3 H 3.054 0.030 2 966 88 88 TYR HD1 H 6.970 0.030 1 967 88 88 TYR HD2 H 6.970 0.030 1 968 88 88 TYR HE1 H 6.564 0.030 1 969 88 88 TYR HE2 H 6.564 0.030 1 970 88 88 TYR C C 175.874 0.300 1 971 88 88 TYR CA C 60.689 0.300 1 972 88 88 TYR CB C 39.144 0.300 1 973 88 88 TYR CD1 C 133.658 0.300 1 974 88 88 TYR CD2 C 133.658 0.300 1 975 88 88 TYR CE1 C 117.759 0.300 1 976 88 88 TYR CE2 C 117.759 0.300 1 977 88 88 TYR N N 120.773 0.300 1 978 89 89 GLY H H 7.423 0.030 1 979 89 89 GLY HA2 H 3.541 0.030 2 980 89 89 GLY HA3 H 4.423 0.030 2 981 89 89 GLY C C 174.272 0.300 1 982 89 89 GLY CA C 44.781 0.300 1 983 89 89 GLY N N 101.089 0.300 1 984 90 90 VAL H H 7.887 0.030 1 985 90 90 VAL HA H 3.915 0.030 1 986 90 90 VAL HB H 1.799 0.030 1 987 90 90 VAL HG1 H 1.089 0.030 1 988 90 90 VAL HG2 H 1.003 0.030 1 989 90 90 VAL C C 176.422 0.300 1 990 90 90 VAL CA C 64.123 0.300 1 991 90 90 VAL CB C 31.536 0.300 1 992 90 90 VAL CG1 C 22.977 0.300 2 993 90 90 VAL CG2 C 23.407 0.300 2 994 90 90 VAL N N 124.086 0.300 1 995 91 91 ILE H H 8.659 0.030 1 996 91 91 ILE HA H 4.252 0.030 1 997 91 91 ILE HB H 2.133 0.030 1 998 91 91 ILE HG12 H 1.456 0.030 2 999 91 91 ILE HG13 H 1.318 0.030 2 1000 91 91 ILE HG2 H 1.060 0.030 1 1001 91 91 ILE HD1 H 0.892 0.030 1 1002 91 91 ILE C C 178.864 0.300 1 1003 91 91 ILE CA C 61.803 0.300 1 1004 91 91 ILE CB C 38.643 0.300 1 1005 91 91 ILE CG1 C 26.720 0.300 1 1006 91 91 ILE CG2 C 17.974 0.300 1 1007 91 91 ILE CD1 C 13.859 0.300 1 1008 91 91 ILE N N 125.472 0.300 1 1009 92 92 LYS H H 8.441 0.030 1 1010 92 92 LYS HA H 3.891 0.030 1 1011 92 92 LYS HB2 H 1.918 0.030 2 1012 92 92 LYS HB3 H 1.846 0.030 2 1013 92 92 LYS HG2 H 1.478 0.030 2 1014 92 92 LYS HG3 H 1.523 0.030 2 1015 92 92 LYS HD2 H 1.712 0.030 1 1016 92 92 LYS HD3 H 1.712 0.030 1 1017 92 92 LYS HE2 H 3.014 0.030 1 1018 92 92 LYS HE3 H 3.014 0.030 1 1019 92 92 LYS C C 179.691 0.300 1 1020 92 92 LYS CA C 60.271 0.300 1 1021 92 92 LYS CB C 32.473 0.300 1 1022 92 92 LYS CG C 24.696 0.300 1 1023 92 92 LYS CD C 28.900 0.300 1 1024 92 92 LYS CE C 41.842 0.300 1 1025 92 92 LYS N N 122.545 0.300 1 1026 93 93 THR H H 7.448 0.030 1 1027 93 93 THR HA H 4.132 0.030 1 1028 93 93 THR HB H 4.362 0.030 1 1029 93 93 THR HG2 H 1.283 0.030 1 1030 93 93 THR C C 174.932 0.300 1 1031 93 93 THR CA C 63.732 0.300 1 1032 93 93 THR CB C 68.196 0.300 1 1033 93 93 THR CG2 C 22.470 0.300 1 1034 93 93 THR N N 106.711 0.300 1 1035 94 94 ASP H H 7.846 0.030 1 1036 94 94 ASP HA H 4.931 0.030 1 1037 94 94 ASP HB2 H 2.638 0.030 2 1038 94 94 ASP HB3 H 2.796 0.030 2 1039 94 94 ASP C C 176.285 0.300 1 1040 94 94 ASP CA C 54.321 0.300 1 1041 94 94 ASP CB C 41.904 0.300 1 1042 94 94 ASP N N 120.142 0.300 1 1043 95 95 MET H H 7.250 0.030 1 1044 95 95 MET HA H 4.596 0.030 1 1045 95 95 MET HB2 H 2.180 0.030 2 1046 95 95 MET HB3 H 1.990 0.030 2 1047 95 95 MET HG2 H 2.412 0.030 2 1048 95 95 MET HG3 H 2.619 0.030 2 1049 95 95 MET HE H 1.920 0.030 1 1050 95 95 MET C C 175.560 0.300 1 1051 95 95 MET CA C 54.992 0.300 1 1052 95 95 MET CB C 33.234 0.300 1 1053 95 95 MET CG C 32.197 0.300 1 1054 95 95 MET CE C 17.509 0.300 1 1055 95 95 MET N N 120.001 0.300 1 1056 96 96 PHE H H 6.832 0.030 1 1057 96 96 PHE HA H 4.931 0.030 1 1058 96 96 PHE HB2 H 3.886 0.030 2 1059 96 96 PHE HB3 H 2.858 0.030 2 1060 96 96 PHE HD1 H 7.977 0.030 1 1061 96 96 PHE HD2 H 7.977 0.030 1 1062 96 96 PHE HE1 H 7.280 0.030 1 1063 96 96 PHE HE2 H 7.280 0.030 1 1064 96 96 PHE HZ H 7.132 0.030 1 1065 96 96 PHE C C 172.480 0.300 1 1066 96 96 PHE CA C 55.299 0.300 1 1067 96 96 PHE CB C 39.088 0.300 1 1068 96 96 PHE CD1 C 134.977 0.300 1 1069 96 96 PHE CD2 C 134.977 0.300 1 1070 96 96 PHE CE1 C 130.982 0.300 1 1071 96 96 PHE CE2 C 130.982 0.300 1 1072 96 96 PHE CZ C 129.087 0.300 1 1073 96 96 PHE N N 119.241 0.300 1 1074 97 97 GLN H H 9.413 0.030 1 1075 97 97 GLN HA H 4.723 0.030 1 1076 97 97 GLN HB2 H 1.993 0.030 2 1077 97 97 GLN HB3 H 2.340 0.030 2 1078 97 97 GLN HG2 H 2.480 0.030 2 1079 97 97 GLN HG3 H 2.510 0.030 2 1080 97 97 GLN HE21 H 6.822 0.030 2 1081 97 97 GLN HE22 H 7.781 0.030 2 1082 97 97 GLN C C 178.229 0.300 1 1083 97 97 GLN CA C 54.002 0.300 1 1084 97 97 GLN CB C 30.778 0.300 1 1085 97 97 GLN CG C 34.084 0.300 1 1086 97 97 GLN N N 117.636 0.300 1 1087 97 97 GLN NE2 N 113.645 0.300 1 1088 98 98 THR H H 9.001 0.030 1 1089 98 98 THR HA H 3.885 0.030 1 1090 98 98 THR HB H 4.240 0.030 1 1091 98 98 THR HG2 H 1.286 0.030 1 1092 98 98 THR CA C 68.691 0.300 1 1093 98 98 THR CB C 68.118 0.300 1 1094 98 98 THR CG2 C 22.718 0.300 1 1095 98 98 THR N N 119.869 0.300 1 1096 99 99 VAL H H 8.392 0.030 1 1097 99 99 VAL HA H 4.007 0.030 1 1098 99 99 VAL HB H 2.325 0.030 1 1099 99 99 VAL HG1 H 1.060 0.030 1 1100 99 99 VAL HG2 H 1.037 0.030 1 1101 99 99 VAL C C 176.422 0.300 1 1102 99 99 VAL CA C 65.922 0.300 1 1103 99 99 VAL CB C 32.005 0.300 1 1104 99 99 VAL CG1 C 21.237 0.300 2 1105 99 99 VAL CG2 C 20.066 0.300 2 1106 99 99 VAL N N 114.927 0.300 1 1107 100 100 ASP H H 8.220 0.030 1 1108 100 100 ASP HA H 4.287 0.030 1 1109 100 100 ASP HB2 H 3.172 0.030 2 1110 100 100 ASP HB3 H 3.044 0.030 2 1111 100 100 ASP C C 176.840 0.300 1 1112 100 100 ASP CA C 57.880 0.300 1 1113 100 100 ASP CB C 40.930 0.300 1 1114 100 100 ASP N N 123.768 0.300 1 1115 101 101 LEU H H 6.747 0.030 1 1116 101 101 LEU HA H 4.526 0.030 1 1117 101 101 LEU HB2 H 1.302 0.030 2 1118 101 101 LEU HB3 H 1.828 0.030 2 1119 101 101 LEU HG H 1.406 0.030 1 1120 101 101 LEU HD1 H 0.822 0.030 1 1121 101 101 LEU HD2 H 0.976 0.030 1 1122 101 101 LEU C C 178.338 0.300 1 1123 101 101 LEU CA C 55.286 0.300 1 1124 101 101 LEU CB C 44.674 0.300 1 1125 101 101 LEU CG C 28.098 0.300 1 1126 101 101 LEU CD1 C 23.130 0.300 2 1127 101 101 LEU CD2 C 26.882 0.300 2 1128 101 101 LEU N N 112.697 0.300 1 1129 102 102 TYR H H 9.114 0.030 1 1130 102 102 TYR HA H 3.874 0.030 1 1131 102 102 TYR HB2 H 3.031 0.030 2 1132 102 102 TYR HB3 H 2.856 0.030 2 1133 102 102 TYR HD1 H 7.231 0.030 1 1134 102 102 TYR HD2 H 7.231 0.030 1 1135 102 102 TYR HE1 H 6.839 0.030 1 1136 102 102 TYR HE2 H 6.839 0.030 1 1137 102 102 TYR C C 175.874 0.300 1 1138 102 102 TYR CA C 63.615 0.300 1 1139 102 102 TYR CB C 40.687 0.300 1 1140 102 102 TYR CD1 C 133.434 0.300 1 1141 102 102 TYR CD2 C 133.434 0.300 1 1142 102 102 TYR CE1 C 118.486 0.300 1 1143 102 102 TYR CE2 C 118.486 0.300 1 1144 102 102 TYR N N 119.747 0.300 1 1145 103 103 GLU H H 7.937 0.030 1 1146 103 103 GLU HA H 4.507 0.030 1 1147 103 103 GLU HB2 H 2.380 0.030 2 1148 103 103 GLU HB3 H 1.980 0.030 2 1149 103 103 GLU HG2 H 2.388 0.030 2 1150 103 103 GLU HG3 H 2.360 0.030 2 1151 103 103 GLU C C 177.396 0.300 1 1152 103 103 GLU CA C 55.025 0.300 1 1153 103 103 GLU CB C 30.130 0.300 1 1154 103 103 GLU CG C 36.825 0.300 1 1155 103 103 GLU N N 111.069 0.300 1 1156 104 104 GLY H H 7.255 0.030 1 1157 104 104 GLY HA2 H 3.827 0.030 2 1158 104 104 GLY HA3 H 3.677 0.030 2 1159 104 104 GLY C C 174.666 0.300 1 1160 104 104 GLY CA C 46.501 0.300 1 1161 104 104 GLY N N 107.831 0.300 1 1162 105 105 LYS H H 7.232 0.030 1 1163 105 105 LYS HA H 4.132 0.030 1 1164 105 105 LYS HB2 H 1.797 0.030 2 1165 105 105 LYS HB3 H 1.976 0.030 2 1166 105 105 LYS HG2 H 1.427 0.030 2 1167 105 105 LYS HG3 H 1.496 0.030 2 1168 105 105 LYS HD2 H 1.698 0.030 1 1169 105 105 LYS HD3 H 1.698 0.030 1 1170 105 105 LYS HE2 H 3.039 0.030 1 1171 105 105 LYS HE3 H 3.039 0.030 1 1172 105 105 LYS C C 176.886 0.300 1 1173 105 105 LYS CA C 58.166 0.300 1 1174 105 105 LYS CB C 33.379 0.300 1 1175 105 105 LYS CG C 25.517 0.300 1 1176 105 105 LYS CD C 29.120 0.300 1 1177 105 105 LYS CE C 42.172 0.300 1 1178 105 105 LYS N N 117.758 0.300 1 1179 106 106 ASP H H 8.517 0.030 1 1180 106 106 ASP HA H 4.756 0.030 1 1181 106 106 ASP HB2 H 2.831 0.030 2 1182 106 106 ASP HB3 H 2.563 0.030 2 1183 106 106 ASP C C 175.077 0.300 1 1184 106 106 ASP CA C 53.578 0.300 1 1185 106 106 ASP CB C 40.283 0.300 1 1186 106 106 ASP N N 117.298 0.300 1 1187 107 107 MET H H 8.893 0.030 1 1188 107 107 MET HA H 4.681 0.030 1 1189 107 107 MET HB2 H 2.096 0.030 2 1190 107 107 MET HB3 H 2.143 0.030 2 1191 107 107 MET HG2 H 3.027 0.030 2 1192 107 107 MET HG3 H 2.400 0.030 2 1193 107 107 MET HE H 2.029 0.030 1 1194 107 107 MET C C 179.594 0.300 1 1195 107 107 MET CA C 54.699 0.300 1 1196 107 107 MET CB C 29.126 0.300 1 1197 107 107 MET CG C 32.466 0.300 1 1198 107 107 MET CE C 15.298 0.300 1 1199 107 107 MET N N 121.738 0.300 1 1200 108 108 ALA H H 8.368 0.030 1 1201 108 108 ALA HA H 4.194 0.030 1 1202 108 108 ALA HB H 1.547 0.030 1 1203 108 108 ALA C C 180.867 0.300 1 1204 108 108 ALA CA C 55.364 0.300 1 1205 108 108 ALA CB C 17.569 0.300 1 1206 108 108 ALA N N 125.373 0.300 1 1207 109 109 ALA H H 7.807 0.030 1 1208 109 109 ALA HA H 4.073 0.030 1 1209 109 109 ALA HB H 1.555 0.030 1 1210 109 109 ALA C C 180.005 0.300 1 1211 109 109 ALA CA C 54.892 0.300 1 1212 109 109 ALA CB C 18.138 0.300 1 1213 109 109 ALA N N 122.909 0.300 1 1214 110 110 VAL H H 7.002 0.030 1 1215 110 110 VAL HA H 3.557 0.030 1 1216 110 110 VAL HB H 2.236 0.030 1 1217 110 110 VAL HG1 H 0.539 0.030 1 1218 110 110 VAL HG2 H 0.197 0.030 1 1219 110 110 VAL C C 178.107 0.300 1 1220 110 110 VAL CA C 65.062 0.300 1 1221 110 110 VAL CB C 31.244 0.300 1 1222 110 110 VAL CG1 C 19.759 0.300 2 1223 110 110 VAL CG2 C 21.382 0.300 2 1224 110 110 VAL N N 118.286 0.300 1 1225 111 111 GLN H H 8.105 0.030 1 1226 111 111 GLN HA H 3.857 0.030 1 1227 111 111 GLN HB2 H 2.348 0.030 2 1228 111 111 GLN HB3 H 2.076 0.030 2 1229 111 111 GLN HG2 H 2.005 0.030 2 1230 111 111 GLN HG3 H 2.651 0.030 2 1231 111 111 GLN HE21 H 6.507 0.030 2 1232 111 111 GLN HE22 H 6.816 0.030 2 1233 111 111 GLN C C 177.710 0.300 1 1234 111 111 GLN CA C 60.178 0.300 1 1235 111 111 GLN CB C 28.334 0.300 1 1236 111 111 GLN CG C 35.000 0.300 1 1237 111 111 GLN N N 117.284 0.300 1 1238 111 111 GLN NE2 N 108.294 0.300 1 1239 112 112 ARG H H 8.237 0.030 1 1240 112 112 ARG HA H 4.159 0.030 1 1241 112 112 ARG HB2 H 2.193 0.030 2 1242 112 112 ARG HB3 H 2.111 0.030 2 1243 112 112 ARG HG2 H 1.608 0.030 2 1244 112 112 ARG HG3 H 1.916 0.030 2 1245 112 112 ARG HD2 H 3.389 0.030 2 1246 112 112 ARG HD3 H 3.432 0.030 2 1247 112 112 ARG HE H 7.404 0.030 1 1248 112 112 ARG C C 179.873 0.300 1 1249 112 112 ARG CA C 60.339 0.300 1 1250 112 112 ARG CB C 29.974 0.300 1 1251 112 112 ARG CG C 27.828 0.300 1 1252 112 112 ARG CD C 43.738 0.300 1 1253 112 112 ARG N N 119.490 0.300 1 1254 112 112 ARG NE N 84.177 0.300 1 1255 113 113 THR H H 8.417 0.030 1 1256 113 113 THR HA H 4.323 0.030 1 1257 113 113 THR HB H 4.731 0.030 1 1258 113 113 THR HG2 H 1.513 0.030 1 1259 113 113 THR C C 176.333 0.300 1 1260 113 113 THR CA C 66.962 0.300 1 1261 113 113 THR CB C 68.243 0.300 1 1262 113 113 THR CG2 C 22.700 0.300 1 1263 113 113 THR N N 118.715 0.300 1 1264 114 114 LEU H H 8.224 0.030 1 1265 114 114 LEU HA H 4.356 0.030 1 1266 114 114 LEU HB2 H 2.355 0.030 2 1267 114 114 LEU HB3 H 1.748 0.030 2 1268 114 114 LEU HG H 2.227 0.030 1 1269 114 114 LEU HD1 H 1.062 0.030 1 1270 114 114 LEU HD2 H 0.972 0.030 1 1271 114 114 LEU C C 178.380 0.300 1 1272 114 114 LEU CA C 58.727 0.300 1 1273 114 114 LEU CB C 42.861 0.300 1 1274 114 114 LEU CG C 27.449 0.300 1 1275 114 114 LEU CD1 C 26.396 0.300 2 1276 114 114 LEU CD2 C 23.096 0.300 2 1277 114 114 LEU N N 120.383 0.300 1 1278 115 115 MET H H 8.784 0.030 1 1279 115 115 MET HA H 4.406 0.030 1 1280 115 115 MET HB2 H 2.351 0.030 1 1281 115 115 MET HB3 H 2.351 0.030 1 1282 115 115 MET HG2 H 2.817 0.030 2 1283 115 115 MET HG3 H 2.881 0.030 2 1284 115 115 MET HE H 2.194 0.030 1 1285 115 115 MET C C 179.027 0.300 1 1286 115 115 MET CA C 57.741 0.300 1 1287 115 115 MET CB C 31.614 0.300 1 1288 115 115 MET CG C 32.624 0.300 1 1289 115 115 MET CE C 16.747 0.300 1 1290 115 115 MET N N 117.668 0.300 1 1291 116 116 ALA H H 8.277 0.030 1 1292 116 116 ALA HA H 4.226 0.030 1 1293 116 116 ALA HB H 1.778 0.030 1 1294 116 116 ALA C C 180.745 0.300 1 1295 116 116 ALA CA C 55.151 0.300 1 1296 116 116 ALA CB C 18.558 0.300 1 1297 116 116 ALA N N 124.124 0.300 1 1298 117 117 LEU H H 8.673 0.030 1 1299 117 117 LEU HA H 4.115 0.030 1 1300 117 117 LEU HB2 H 1.880 0.030 2 1301 117 117 LEU HB3 H 2.268 0.030 2 1302 117 117 LEU HG H 1.876 0.030 1 1303 117 117 LEU HD1 H 0.949 0.030 1 1304 117 117 LEU HD2 H 1.033 0.030 1 1305 117 117 LEU CA C 58.306 0.300 1 1306 117 117 LEU CB C 43.017 0.300 1 1307 117 117 LEU CG C 26.792 0.300 1 1308 117 117 LEU CD1 C 25.191 0.300 2 1309 117 117 LEU CD2 C 26.006 0.300 2 1310 117 117 LEU N N 121.152 0.300 1 1311 118 118 GLY H H 8.108 0.030 1 1312 118 118 GLY HA2 H 2.525 0.030 2 1313 118 118 GLY HA3 H 1.042 0.030 2 1314 118 118 GLY C C 174.835 0.300 1 1315 118 118 GLY CA C 46.540 0.300 1 1316 118 118 GLY N N 107.212 0.300 1 1317 119 119 SER H H 7.900 0.030 1 1318 119 119 SER HA H 4.090 0.030 1 1319 119 119 SER HB2 H 4.076 0.030 2 1320 119 119 SER HB3 H 3.970 0.030 2 1321 119 119 SER CA C 61.720 0.300 1 1322 119 119 SER CB C 63.315 0.300 1 1323 119 119 SER N N 114.822 0.300 1 1324 120 120 LEU H H 8.034 0.030 1 1325 120 120 LEU HA H 4.111 0.030 1 1326 120 120 LEU HB2 H 2.048 0.030 2 1327 120 120 LEU HB3 H 1.577 0.030 2 1328 120 120 LEU HG H 1.642 0.030 1 1329 120 120 LEU HD1 H 0.854 0.030 1 1330 120 120 LEU HD2 H 0.832 0.030 1 1331 120 120 LEU C C 178.538 0.300 1 1332 120 120 LEU CA C 57.804 0.300 1 1333 120 120 LEU CB C 43.095 0.300 1 1334 120 120 LEU CG C 27.251 0.300 1 1335 120 120 LEU CD1 C 25.263 0.300 2 1336 120 120 LEU CD2 C 24.362 0.300 2 1337 120 120 LEU N N 123.087 0.300 1 1338 121 121 ALA H H 8.713 0.030 1 1339 121 121 ALA HA H 4.828 0.030 1 1340 121 121 ALA HB H 1.799 0.030 1 1341 121 121 ALA C C 181.338 0.300 1 1342 121 121 ALA CA C 55.178 0.300 1 1343 121 121 ALA CB C 19.883 0.300 1 1344 121 121 ALA N N 123.057 0.300 1 1345 122 122 VAL H H 7.928 0.030 1 1346 122 122 VAL HA H 3.230 0.030 1 1347 122 122 VAL HB H 1.775 0.030 1 1348 122 122 VAL HG1 H 0.779 0.030 1 1349 122 122 VAL HG2 H 0.608 0.030 1 1350 122 122 VAL C C 178.132 0.300 1 1351 122 122 VAL CA C 65.492 0.300 1 1352 122 122 VAL CB C 31.536 0.300 1 1353 122 122 VAL CG1 C 21.200 0.300 2 1354 122 122 VAL CG2 C 22.636 0.300 2 1355 122 122 VAL N N 117.009 0.300 1 1356 123 123 THR H H 7.675 0.030 1 1357 123 123 THR HA H 3.972 0.030 1 1358 123 123 THR HB H 4.348 0.030 1 1359 123 123 THR HG2 H 1.285 0.030 1 1360 123 123 THR C C 176.333 0.300 1 1361 123 123 THR CA C 65.492 0.300 1 1362 123 123 THR CB C 69.130 0.300 1 1363 123 123 THR CG2 C 22.864 0.300 1 1364 123 123 THR N N 115.799 0.300 1 1365 124 124 LYS H H 8.318 0.030 1 1366 124 124 LYS HA H 3.927 0.030 1 1367 124 124 LYS HB2 H 1.912 0.030 2 1368 124 124 LYS HB3 H 1.751 0.030 2 1369 124 124 LYS HG2 H 1.348 0.030 2 1370 124 124 LYS HG3 H 1.568 0.030 2 1371 124 124 LYS HD2 H 1.453 0.030 2 1372 124 124 LYS HD3 H 1.490 0.030 2 1373 124 124 LYS HE2 H 2.551 0.030 2 1374 124 124 LYS HE3 H 2.186 0.030 2 1375 124 124 LYS C C 177.619 0.300 1 1376 124 124 LYS CA C 59.551 0.300 1 1377 124 124 LYS CB C 32.708 0.300 1 1378 124 124 LYS CG C 26.178 0.300 1 1379 124 124 LYS CD C 29.542 0.300 1 1380 124 124 LYS CE C 42.383 0.300 1 1381 124 124 LYS N N 121.437 0.300 1 1382 125 125 ASN H H 7.723 0.030 1 1383 125 125 ASN HA H 4.575 0.030 1 1384 125 125 ASN HB2 H 3.138 0.030 2 1385 125 125 ASN HB3 H 2.600 0.030 2 1386 125 125 ASN HD21 H 7.661 0.030 2 1387 125 125 ASN HD22 H 6.858 0.030 2 1388 125 125 ASN CA C 53.763 0.300 1 1389 125 125 ASN CB C 37.446 0.300 1 1390 125 125 ASN N N 113.879 0.300 1 1391 125 125 ASN ND2 N 111.663 0.300 1 1392 126 126 ASP H H 8.391 0.030 1 1393 126 126 ASP HA H 4.689 0.030 1 1394 126 126 ASP HB2 H 2.438 0.030 2 1395 126 126 ASP HB3 H 3.154 0.030 2 1396 126 126 ASP C C 177.299 0.300 1 1397 126 126 ASP CA C 53.539 0.300 1 1398 126 126 ASP CB C 41.489 0.300 1 1399 126 126 ASP N N 116.905 0.300 1 1400 127 127 GLY H H 8.766 0.030 1 1401 127 127 GLY HA2 H 4.465 0.030 2 1402 127 127 GLY HA3 H 3.827 0.030 2 1403 127 127 GLY C C 175.560 0.300 1 1404 127 127 GLY CA C 45.195 0.300 1 1405 127 127 GLY N N 109.188 0.300 1 1406 128 128 ASN H H 8.202 0.030 1 1407 128 128 ASN HA H 4.910 0.030 1 1408 128 128 ASN HB2 H 2.874 0.030 2 1409 128 128 ASN HB3 H 3.403 0.030 2 1410 128 128 ASN HD21 H 6.957 0.030 2 1411 128 128 ASN HD22 H 6.368 0.030 2 1412 128 128 ASN C C 174.860 0.300 1 1413 128 128 ASN CA C 54.506 0.300 1 1414 128 128 ASN CB C 39.190 0.300 1 1415 128 128 ASN N N 116.318 0.300 1 1416 128 128 ASN ND2 N 113.878 0.300 1 1417 129 129 TYR H H 8.060 0.030 1 1418 129 129 TYR HA H 4.814 0.030 1 1419 129 129 TYR HB2 H 3.047 0.030 2 1420 129 129 TYR HB3 H 3.125 0.030 2 1421 129 129 TYR HD1 H 7.090 0.030 1 1422 129 129 TYR HD2 H 7.090 0.030 1 1423 129 129 TYR HE1 H 6.187 0.030 1 1424 129 129 TYR HE2 H 6.187 0.030 1 1425 129 129 TYR C C 175.836 0.300 1 1426 129 129 TYR CA C 59.211 0.300 1 1427 129 129 TYR CB C 38.605 0.300 1 1428 129 129 TYR CD1 C 132.688 0.300 1 1429 129 129 TYR CD2 C 132.688 0.300 1 1430 129 129 TYR CE1 C 118.810 0.300 1 1431 129 129 TYR CE2 C 118.810 0.300 1 1432 129 129 TYR N N 120.793 0.300 1 1433 130 130 ARG H H 9.119 0.030 1 1434 130 130 ARG HA H 4.450 0.030 1 1435 130 130 ARG HB2 H 1.200 0.030 2 1436 130 130 ARG HB3 H 1.882 0.030 2 1437 130 130 ARG HG2 H 1.591 0.030 2 1438 130 130 ARG HG3 H 1.699 0.030 2 1439 130 130 ARG HD2 H 3.263 0.030 1 1440 130 130 ARG HD3 H 3.263 0.030 1 1441 130 130 ARG HE H 7.152 0.030 1 1442 130 130 ARG C C 174.232 0.300 1 1443 130 130 ARG CA C 54.873 0.300 1 1444 130 130 ARG CB C 32.335 0.300 1 1445 130 130 ARG CG C 27.404 0.300 1 1446 130 130 ARG CD C 43.284 0.300 1 1447 130 130 ARG N N 129.067 0.300 1 1448 130 130 ARG NE N 84.348 0.300 1 1449 131 131 GLY H H 5.852 0.030 1 1450 131 131 GLY HA2 H 3.704 0.030 2 1451 131 131 GLY HA3 H 3.963 0.030 2 1452 131 131 GLY C C 171.671 0.300 1 1453 131 131 GLY CA C 44.397 0.300 1 1454 131 131 GLY N N 101.225 0.300 1 1455 132 132 ASP H H 4.062 0.030 1 1456 132 132 ASP HA H 4.551 0.030 1 1457 132 132 ASP HB2 H 0.521 0.030 2 1458 132 132 ASP HB3 H 1.384 0.030 2 1459 132 132 ASP CA C 50.662 0.300 1 1460 132 132 ASP CB C 40.598 0.300 1 1461 132 132 ASP N N 118.594 0.300 1 1462 133 133 PRO HA H 4.246 0.030 1 1463 133 133 PRO HB2 H 1.927 0.030 2 1464 133 133 PRO HB3 H 2.332 0.030 2 1465 133 133 PRO HG2 H 2.023 0.030 2 1466 133 133 PRO HG3 H 2.048 0.030 2 1467 133 133 PRO HD2 H 3.876 0.030 2 1468 133 133 PRO HD3 H 3.990 0.030 2 1469 133 133 PRO C C 176.585 0.300 1 1470 133 133 PRO CA C 65.340 0.300 1 1471 133 133 PRO CB C 32.030 0.300 1 1472 133 133 PRO CG C 27.416 0.300 1 1473 133 133 PRO CD C 51.397 0.300 1 1474 134 134 ASN H H 8.657 0.030 1 1475 134 134 ASN HA H 4.619 0.030 1 1476 134 134 ASN HB2 H 2.654 0.030 2 1477 134 134 ASN HB3 H 2.768 0.030 2 1478 134 134 ASN HD21 H 7.934 0.030 2 1479 134 134 ASN HD22 H 6.920 0.030 2 1480 134 134 ASN C C 176.666 0.300 1 1481 134 134 ASN CA C 54.165 0.300 1 1482 134 134 ASN CB C 38.518 0.300 1 1483 134 134 ASN N N 113.753 0.300 1 1484 134 134 ASN ND2 N 114.662 0.300 1 1485 135 135 TRP H H 7.591 0.030 1 1486 135 135 TRP HA H 4.356 0.030 1 1487 135 135 TRP HB2 H 2.892 0.030 2 1488 135 135 TRP HB3 H 1.901 0.030 2 1489 135 135 TRP HD1 H 6.971 0.030 1 1490 135 135 TRP HE1 H 10.298 0.030 1 1491 135 135 TRP HE3 H 7.772 0.030 1 1492 135 135 TRP HZ2 H 7.680 0.030 1 1493 135 135 TRP HZ3 H 7.417 0.030 1 1494 135 135 TRP HH2 H 7.374 0.030 1 1495 135 135 TRP C C 175.958 0.300 1 1496 135 135 TRP CA C 56.997 0.300 1 1497 135 135 TRP CB C 30.130 0.300 1 1498 135 135 TRP CD1 C 123.764 0.300 1 1499 135 135 TRP CE3 C 120.459 0.300 1 1500 135 135 TRP CZ2 C 115.916 0.300 1 1501 135 135 TRP CZ3 C 120.459 0.300 1 1502 135 135 TRP CH2 C 124.486 0.300 1 1503 135 135 TRP N N 119.267 0.300 1 1504 135 135 TRP NE1 N 129.712 0.300 1 1505 136 136 PHE H H 7.142 0.030 1 1506 136 136 PHE HA H 4.772 0.030 1 1507 136 136 PHE HB2 H 2.342 0.030 2 1508 136 136 PHE HB3 H 3.206 0.030 2 1509 136 136 PHE HD1 H 7.127 0.030 1 1510 136 136 PHE HD2 H 7.127 0.030 1 1511 136 136 PHE HE1 H 6.957 0.030 1 1512 136 136 PHE HE2 H 6.957 0.030 1 1513 136 136 PHE HZ H 6.775 0.030 1 1514 136 136 PHE C C 174.688 0.300 1 1515 136 136 PHE CA C 56.478 0.300 1 1516 136 136 PHE CB C 40.361 0.300 1 1517 136 136 PHE CD1 C 132.850 0.300 1 1518 136 136 PHE CD2 C 132.850 0.300 1 1519 136 136 PHE CE1 C 130.418 0.300 1 1520 136 136 PHE CE2 C 130.418 0.300 1 1521 136 136 PHE CZ C 128.915 0.300 1 1522 136 136 PHE N N 111.201 0.300 1 1523 137 137 MET H H 7.774 0.030 1 1524 137 137 MET HA H 4.455 0.030 1 1525 137 137 MET HB2 H 1.980 0.030 2 1526 137 137 MET HB3 H 2.051 0.030 2 1527 137 137 MET HG2 H 2.537 0.030 2 1528 137 137 MET HG3 H 2.585 0.030 2 1529 137 137 MET HE H 2.064 0.030 1 1530 137 137 MET C C 175.933 0.300 1 1531 137 137 MET CA C 55.393 0.300 1 1532 137 137 MET CB C 33.710 0.300 1 1533 137 137 MET CG C 31.837 0.300 1 1534 137 137 MET CE C 16.998 0.300 1 1535 137 137 MET N N 119.340 0.300 1 1536 138 138 LYS H H 8.483 0.030 1 1537 138 138 LYS HA H 4.362 0.030 1 1538 138 138 LYS HB2 H 1.766 0.030 2 1539 138 138 LYS HB3 H 1.855 0.030 2 1540 138 138 LYS HG2 H 1.414 0.030 2 1541 138 138 LYS HG3 H 1.490 0.030 2 1542 138 138 LYS HD2 H 1.709 0.030 1 1543 138 138 LYS HD3 H 1.709 0.030 1 1544 138 138 LYS HE2 H 2.989 0.030 1 1545 138 138 LYS HE3 H 2.989 0.030 1 1546 138 138 LYS C C 176.495 0.300 1 1547 138 138 LYS CA C 56.307 0.300 1 1548 138 138 LYS CB C 33.064 0.300 1 1549 138 138 LYS CG C 24.838 0.300 1 1550 138 138 LYS CD C 29.230 0.300 1 1551 138 138 LYS CE C 42.254 0.300 1 1552 138 138 LYS N N 123.670 0.300 1 1553 139 139 SER H H 8.344 0.030 1 1554 139 139 SER HA H 4.490 0.030 1 1555 139 139 SER HB2 H 3.857 0.030 1 1556 139 139 SER HB3 H 3.857 0.030 1 1557 139 139 SER C C 174.521 0.300 1 1558 139 139 SER CA C 58.270 0.300 1 1559 139 139 SER CB C 64.103 0.300 1 1560 139 139 SER N N 117.767 0.300 1 1561 140 140 GLY H H 8.280 0.030 1 1562 140 140 GLY HA2 H 4.108 0.030 2 1563 140 140 GLY HA3 H 4.190 0.030 2 1564 140 140 GLY C C 171.781 0.300 1 1565 140 140 GLY CA C 44.682 0.300 1 1566 140 140 GLY N N 110.699 0.300 1 1567 141 141 PRO HA H 4.505 0.030 1 1568 141 141 PRO HB2 H 1.996 0.030 2 1569 141 141 PRO HB3 H 2.309 0.030 2 1570 141 141 PRO HG2 H 2.038 0.030 1 1571 141 141 PRO HG3 H 2.038 0.030 1 1572 141 141 PRO HD2 H 3.645 0.030 1 1573 141 141 PRO HD3 H 3.645 0.030 1 1574 141 141 PRO CA C 63.333 0.300 1 1575 141 141 PRO CB C 32.243 0.300 1 1576 141 141 PRO CG C 27.216 0.300 1 1577 141 141 PRO CD C 49.844 0.300 1 1578 142 142 SER H H 8.534 0.030 1 1579 142 142 SER N N 116.429 0.300 1 1580 143 143 SER HA H 4.518 0.030 1 1581 143 143 SER HB2 H 4.019 0.030 2 1582 143 143 SER C C 173.955 0.300 1 1583 143 143 SER CA C 58.494 0.300 1 1584 143 143 SER CB C 64.058 0.300 1 1585 144 144 GLY H H 8.055 0.030 1 1586 144 144 GLY HA2 H 3.793 0.030 1 1587 144 144 GLY HA3 H 3.793 0.030 1 1588 144 144 GLY C C 179.052 0.300 1 1589 144 144 GLY CA C 46.263 0.300 1 1590 144 144 GLY N N 116.887 0.300 1 stop_ save_