data_11255 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Anticodon Binding Domain from Nuclear Receptor Coactivator 5 (Human KIAA1637 Protein) ; _BMRB_accession_number 11255 _BMRB_flat_file_name bmr11255.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Zhao C. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 672 "13C chemical shifts" 499 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-17 original author . stop_ _Original_release_date 2011-08-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of Anticodon Binding Domain from Nuclear Receptor Coactivator 5 (Human KIAA1637 Protein) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao C. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Nuclear receptor coactivator 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Anticodon Binding Domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Anticodon Binding Domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; GSSGSSGPVDCSVIVVNKQT KDYAESVGRKVRDLGMVVDL IFLNTEVSLSQALEDVSRGG SPFAIVITQQHQIHRSCTVN IMFGTPQEHRNMPQADAMVL VARNYERYKNECREKEREEI ARQASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 VAL 10 ASP 11 CYS 12 SER 13 VAL 14 ILE 15 VAL 16 VAL 17 ASN 18 LYS 19 GLN 20 THR 21 LYS 22 ASP 23 TYR 24 ALA 25 GLU 26 SER 27 VAL 28 GLY 29 ARG 30 LYS 31 VAL 32 ARG 33 ASP 34 LEU 35 GLY 36 MET 37 VAL 38 VAL 39 ASP 40 LEU 41 ILE 42 PHE 43 LEU 44 ASN 45 THR 46 GLU 47 VAL 48 SER 49 LEU 50 SER 51 GLN 52 ALA 53 LEU 54 GLU 55 ASP 56 VAL 57 SER 58 ARG 59 GLY 60 GLY 61 SER 62 PRO 63 PHE 64 ALA 65 ILE 66 VAL 67 ILE 68 THR 69 GLN 70 GLN 71 HIS 72 GLN 73 ILE 74 HIS 75 ARG 76 SER 77 CYS 78 THR 79 VAL 80 ASN 81 ILE 82 MET 83 PHE 84 GLY 85 THR 86 PRO 87 GLN 88 GLU 89 HIS 90 ARG 91 ASN 92 MET 93 PRO 94 GLN 95 ALA 96 ASP 97 ALA 98 MET 99 VAL 100 LEU 101 VAL 102 ALA 103 ARG 104 ASN 105 TYR 106 GLU 107 ARG 108 TYR 109 LYS 110 ASN 111 GLU 112 CYS 113 ARG 114 GLU 115 LYS 116 GLU 117 ARG 118 GLU 119 GLU 120 ILE 121 ALA 122 ARG 123 GLN 124 ALA 125 SER 126 GLY 127 PRO 128 SER 129 SER 130 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 1V95 "Solution Structure Of Anticodon Binding Domain From Nuclear Receptor Coactivator 5 (Human Kiaa1637 Protein)" 100.00 130 100.00 100.00 4.26e-90 DBJ BAB13463 "KIAA1637 protein [Homo sapiens]" 90.77 479 99.15 100.00 2.23e-77 DBJ BAC33631 "unnamed protein product [Mus musculus]" 90.77 422 98.31 100.00 3.17e-78 EMBL CAH90835 "hypothetical protein [Pongo abelii]" 90.77 579 99.15 100.00 4.07e-76 GB AAG36793 "nuclear receptor coactivator CIA [Homo sapiens]" 90.77 621 99.15 100.00 5.97e-76 GB AAH17152 "Nuclear receptor coactivator 5 [Mus musculus]" 90.77 579 98.31 100.00 5.20e-76 GB AAI12848 "Nuclear receptor coactivator 5 [Bos taurus]" 90.77 406 99.15 100.00 2.46e-77 GB AAI40837 "Nuclear receptor coactivator 5 [Homo sapiens]" 90.77 579 99.15 100.00 2.55e-76 GB AAI51134 "Nuclear receptor coactivator 5 [Homo sapiens]" 90.77 579 99.15 100.00 2.55e-76 REF NP_001039952 "nuclear receptor coactivator 5 [Bos taurus]" 90.77 406 99.15 100.00 2.46e-77 REF NP_001100013 "nuclear receptor coactivator 5 [Rattus norvegicus]" 90.77 578 98.31 100.00 7.54e-76 REF NP_001125477 "nuclear receptor coactivator 5 [Pongo abelii]" 90.77 579 99.15 100.00 4.07e-76 REF NP_001181331 "nuclear receptor coactivator 5 [Macaca mulatta]" 90.77 579 99.15 100.00 2.25e-76 REF NP_066018 "nuclear receptor coactivator 5 [Homo sapiens]" 90.77 579 99.15 100.00 2.55e-76 SP Q91W39 "RecName: Full=Nuclear receptor coactivator 5; Short=NCoA-5; AltName: Full=Coactivator independent of AF-2; Short=CIA" 90.77 579 98.31 100.00 5.20e-76 SP Q9HCD5 "RecName: Full=Nuclear receptor coactivator 5; Short=NCoA-5; AltName: Full=Coactivator independent of AF-2; Short=CIA" 90.77 579 99.15 100.00 2.55e-76 TPG DAA23290 "TPA: nuclear receptor coactivator 5 [Bos taurus]" 90.77 406 99.15 100.00 2.51e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P030506-92 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.02mM Anticodon Binding Domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.5);} 200mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% {D2O;} 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.02 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 200 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _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_Kujira _Saveframe_category software _Name Kujira _Version 0.860 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _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_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 0.1 mM pH 7.5 0.05 pH pressure 1 0.001 atm temperature 298.0 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_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ 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 'Anticodon Binding Domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 4.231 0.030 2 2 7 7 GLY HA3 H 4.108 0.030 2 3 8 8 PRO HA H 4.479 0.030 1 4 8 8 PRO HB2 H 2.270 0.030 2 5 8 8 PRO HB3 H 1.899 0.030 2 6 8 8 PRO HD2 H 3.658 0.030 1 7 8 8 PRO HD3 H 3.658 0.030 1 8 8 8 PRO HG2 H 2.045 0.030 1 9 8 8 PRO HG3 H 2.045 0.030 1 10 8 8 PRO C C 177.301 0.300 1 11 8 8 PRO CA C 62.793 0.300 1 12 8 8 PRO CB C 32.116 0.300 1 13 8 8 PRO CD C 49.763 0.300 1 14 8 8 PRO CG C 27.183 0.300 1 15 9 9 VAL H H 8.271 0.030 1 16 9 9 VAL HA H 3.824 0.030 1 17 9 9 VAL HB H 1.945 0.030 1 18 9 9 VAL HG1 H 0.834 0.030 1 19 9 9 VAL HG2 H 0.820 0.030 1 20 9 9 VAL C C 176.207 0.300 1 21 9 9 VAL CA C 62.364 0.300 1 22 9 9 VAL CB C 32.612 0.300 1 23 9 9 VAL CG1 C 21.914 0.300 2 24 9 9 VAL CG2 C 20.406 0.300 2 25 9 9 VAL N N 118.108 0.300 1 26 10 10 ASP H H 8.047 0.030 1 27 10 10 ASP HA H 4.793 0.030 1 28 10 10 ASP HB2 H 2.679 0.030 2 29 10 10 ASP HB3 H 2.453 0.030 2 30 10 10 ASP C C 174.910 0.300 1 31 10 10 ASP CA C 56.664 0.300 1 32 10 10 ASP CB C 43.483 0.300 1 33 10 10 ASP N N 123.261 0.300 1 34 11 11 CYS H H 7.877 0.030 1 35 11 11 CYS HA H 5.220 0.030 1 36 11 11 CYS HB2 H 2.542 0.030 2 37 11 11 CYS HB3 H 2.289 0.030 2 38 11 11 CYS C C 172.864 0.300 1 39 11 11 CYS CA C 56.555 0.300 1 40 11 11 CYS CB C 29.671 0.300 1 41 11 11 CYS N N 116.316 0.300 1 42 12 12 SER H H 7.903 0.030 1 43 12 12 SER HA H 5.287 0.030 1 44 12 12 SER HB2 H 3.569 0.030 1 45 12 12 SER HB3 H 3.569 0.030 1 46 12 12 SER C C 172.977 0.300 1 47 12 12 SER CA C 57.799 0.300 1 48 12 12 SER CB C 65.101 0.300 1 49 12 12 SER N N 125.615 0.300 1 50 13 13 VAL H H 9.290 0.030 1 51 13 13 VAL HA H 4.631 0.030 1 52 13 13 VAL HB H 2.034 0.030 1 53 13 13 VAL HG1 H 0.660 0.030 1 54 13 13 VAL HG2 H 0.614 0.030 1 55 13 13 VAL C C 173.909 0.300 1 56 13 13 VAL CA C 61.135 0.300 1 57 13 13 VAL CB C 31.705 0.300 1 58 13 13 VAL CG1 C 21.182 0.300 2 59 13 13 VAL CG2 C 21.226 0.300 2 60 13 13 VAL N N 128.074 0.300 1 61 14 14 ILE H H 9.655 0.030 1 62 14 14 ILE HA H 4.329 0.030 1 63 14 14 ILE HB H 1.773 0.030 1 64 14 14 ILE HD1 H 0.677 0.030 1 65 14 14 ILE HG12 H 0.800 0.030 2 66 14 14 ILE HG13 H 1.476 0.030 2 67 14 14 ILE HG2 H 0.690 0.030 1 68 14 14 ILE C C 173.733 0.300 1 69 14 14 ILE CA C 60.682 0.300 1 70 14 14 ILE CB C 38.648 0.300 1 71 14 14 ILE CD1 C 13.975 0.300 1 72 14 14 ILE CG1 C 27.420 0.300 1 73 14 14 ILE CG2 C 18.223 0.300 1 74 14 14 ILE N N 129.035 0.300 1 75 15 15 VAL H H 9.077 0.030 1 76 15 15 VAL HA H 4.216 0.030 1 77 15 15 VAL HB H 1.752 0.030 1 78 15 15 VAL HG1 H 0.314 0.030 1 79 15 15 VAL HG2 H 0.786 0.030 1 80 15 15 VAL C C 176.415 0.300 1 81 15 15 VAL CA C 61.571 0.300 1 82 15 15 VAL CB C 31.348 0.300 1 83 15 15 VAL CG1 C 21.597 0.300 2 84 15 15 VAL CG2 C 22.399 0.300 2 85 15 15 VAL N N 128.202 0.300 1 86 16 16 VAL H H 8.268 0.030 1 87 16 16 VAL HA H 3.744 0.030 1 88 16 16 VAL HB H 2.148 0.030 1 89 16 16 VAL HG1 H 1.017 0.030 1 90 16 16 VAL HG2 H 1.064 0.030 1 91 16 16 VAL C C 174.802 0.300 1 92 16 16 VAL CA C 65.910 0.300 1 93 16 16 VAL CB C 32.325 0.300 1 94 16 16 VAL CG1 C 22.928 0.300 2 95 16 16 VAL CG2 C 21.430 0.300 2 96 16 16 VAL N N 127.159 0.300 1 97 17 17 ASN H H 8.449 0.030 1 98 17 17 ASN HA H 5.122 0.030 1 99 17 17 ASN HB2 H 2.718 0.030 2 100 17 17 ASN HB3 H 3.041 0.030 2 101 17 17 ASN HD21 H 7.907 0.030 2 102 17 17 ASN HD22 H 7.114 0.030 2 103 17 17 ASN C C 175.728 0.300 1 104 17 17 ASN CA C 52.755 0.300 1 105 17 17 ASN CB C 42.029 0.300 1 106 17 17 ASN N N 116.436 0.300 1 107 17 17 ASN ND2 N 113.413 0.300 1 108 18 18 LYS H H 8.004 0.030 1 109 18 18 LYS HA H 4.173 0.030 1 110 18 18 LYS HB2 H 1.916 0.030 1 111 18 18 LYS HB3 H 1.916 0.030 1 112 18 18 LYS HD2 H 1.719 0.030 1 113 18 18 LYS HD3 H 1.719 0.030 1 114 18 18 LYS HE2 H 3.027 0.030 1 115 18 18 LYS HE3 H 3.027 0.030 1 116 18 18 LYS HG2 H 1.587 0.030 2 117 18 18 LYS HG3 H 1.497 0.030 2 118 18 18 LYS CA C 58.299 0.300 1 119 18 18 LYS CB C 32.521 0.300 1 120 18 18 LYS CD C 29.151 0.300 1 121 18 18 LYS CE C 42.176 0.300 1 122 18 18 LYS CG C 25.078 0.300 1 123 19 19 GLN H H 9.156 0.030 1 124 19 19 GLN HA H 4.342 0.030 1 125 19 19 GLN HB2 H 2.233 0.030 2 126 19 19 GLN HB3 H 2.134 0.030 2 127 19 19 GLN HG2 H 2.492 0.030 2 128 19 19 GLN HG3 H 2.558 0.030 2 129 19 19 GLN C C 177.175 0.300 1 130 19 19 GLN CA C 58.389 0.300 1 131 19 19 GLN CB C 28.297 0.300 1 132 19 19 GLN CG C 34.262 0.300 1 133 19 19 GLN N N 119.539 0.300 1 134 20 20 THR H H 8.111 0.030 1 135 20 20 THR HA H 4.902 0.030 1 136 20 20 THR HB H 4.366 0.030 1 137 20 20 THR HG2 H 1.452 0.030 1 138 20 20 THR C C 174.538 0.300 1 139 20 20 THR CA C 61.498 0.300 1 140 20 20 THR CB C 69.057 0.300 1 141 20 20 THR CG2 C 24.142 0.300 1 142 20 20 THR N N 112.203 0.300 1 143 21 21 LYS H H 7.594 0.030 1 144 21 21 LYS HA H 3.963 0.030 1 145 21 21 LYS HB2 H 2.005 0.030 2 146 21 21 LYS HB3 H 2.205 0.030 2 147 21 21 LYS HD2 H 1.650 0.030 1 148 21 21 LYS HD3 H 1.650 0.030 1 149 21 21 LYS HE2 H 2.972 0.030 2 150 21 21 LYS HE3 H 2.906 0.030 2 151 21 21 LYS HG2 H 1.523 0.030 1 152 21 21 LYS HG3 H 1.523 0.030 1 153 21 21 LYS C C 176.389 0.300 1 154 21 21 LYS CA C 61.718 0.300 1 155 21 21 LYS CB C 33.294 0.300 1 156 21 21 LYS CD C 29.814 0.300 1 157 21 21 LYS CE C 41.899 0.300 1 158 21 21 LYS CG C 24.495 0.300 1 159 21 21 LYS N N 122.006 0.300 1 160 22 22 ASP H H 8.797 0.030 1 161 22 22 ASP HA H 4.449 0.030 1 162 22 22 ASP HB2 H 2.731 0.030 1 163 22 22 ASP HB3 H 2.731 0.030 1 164 22 22 ASP C C 179.361 0.300 1 165 22 22 ASP CA C 58.312 0.300 1 166 22 22 ASP CB C 39.861 0.300 1 167 22 22 ASP N N 118.223 0.300 1 168 23 23 TYR H H 8.490 0.030 1 169 23 23 TYR HA H 4.403 0.030 1 170 23 23 TYR HB2 H 3.342 0.030 2 171 23 23 TYR HB3 H 2.921 0.030 2 172 23 23 TYR HD1 H 7.141 0.030 1 173 23 23 TYR HD2 H 7.141 0.030 1 174 23 23 TYR HE1 H 6.707 0.030 1 175 23 23 TYR HE2 H 6.707 0.030 1 176 23 23 TYR C C 178.329 0.300 1 177 23 23 TYR CA C 61.260 0.300 1 178 23 23 TYR CB C 38.621 0.300 1 179 23 23 TYR CD1 C 132.614 0.300 1 180 23 23 TYR CD2 C 132.614 0.300 1 181 23 23 TYR CE1 C 117.965 0.300 1 182 23 23 TYR CE2 C 117.965 0.300 1 183 23 23 TYR N N 122.914 0.300 1 184 24 24 ALA H H 8.839 0.030 1 185 24 24 ALA HA H 3.649 0.030 1 186 24 24 ALA HB H 1.383 0.030 1 187 24 24 ALA C C 179.462 0.300 1 188 24 24 ALA CA C 55.676 0.300 1 189 24 24 ALA CB C 20.512 0.300 1 190 24 24 ALA N N 121.913 0.300 1 191 25 25 GLU H H 8.968 0.030 1 192 25 25 GLU HA H 3.994 0.030 1 193 25 25 GLU HB2 H 2.264 0.030 2 194 25 25 GLU HB3 H 2.029 0.030 2 195 25 25 GLU HG2 H 2.302 0.030 2 196 25 25 GLU HG3 H 2.613 0.030 2 197 25 25 GLU C C 179.827 0.300 1 198 25 25 GLU CA C 59.575 0.300 1 199 25 25 GLU CB C 29.198 0.300 1 200 25 25 GLU CG C 37.130 0.300 1 201 25 25 GLU N N 116.936 0.300 1 202 26 26 SER H H 7.852 0.030 1 203 26 26 SER HA H 4.194 0.030 1 204 26 26 SER HB2 H 4.076 0.030 2 205 26 26 SER HB3 H 4.038 0.030 2 206 26 26 SER C C 176.716 0.300 1 207 26 26 SER CA C 61.636 0.300 1 208 26 26 SER CB C 62.521 0.300 1 209 26 26 SER N N 117.590 0.300 1 210 27 27 VAL H H 7.614 0.030 1 211 27 27 VAL HA H 3.331 0.030 1 212 27 27 VAL HB H 1.852 0.030 1 213 27 27 VAL HG1 H 0.355 0.030 1 214 27 27 VAL HG2 H 0.637 0.030 1 215 27 27 VAL C C 177.825 0.300 1 216 27 27 VAL CA C 67.027 0.300 1 217 27 27 VAL CB C 31.133 0.300 1 218 27 27 VAL CG1 C 22.456 0.300 2 219 27 27 VAL CG2 C 21.264 0.300 2 220 27 27 VAL N N 124.128 0.300 1 221 28 28 GLY H H 8.707 0.030 1 222 28 28 GLY HA2 H 3.447 0.030 2 223 28 28 GLY HA3 H 3.595 0.030 2 224 28 28 GLY C C 174.989 0.300 1 225 28 28 GLY CA C 47.597 0.300 1 226 28 28 GLY N N 105.695 0.300 1 227 29 29 ARG H H 8.063 0.030 1 228 29 29 ARG HA H 3.926 0.030 1 229 29 29 ARG HB2 H 1.952 0.030 1 230 29 29 ARG HB3 H 1.952 0.030 1 231 29 29 ARG HD2 H 3.276 0.030 1 232 29 29 ARG HD3 H 3.276 0.030 1 233 29 29 ARG HG2 H 1.628 0.030 2 234 29 29 ARG HG3 H 1.844 0.030 2 235 29 29 ARG C C 178.153 0.300 1 236 29 29 ARG CA C 59.886 0.300 1 237 29 29 ARG CB C 30.291 0.300 1 238 29 29 ARG CD C 43.947 0.300 1 239 29 29 ARG CG C 28.209 0.300 1 240 29 29 ARG N N 120.002 0.300 1 241 30 30 LYS H H 7.355 0.030 1 242 30 30 LYS HA H 4.069 0.030 1 243 30 30 LYS HB2 H 2.077 0.030 2 244 30 30 LYS HB3 H 1.846 0.030 2 245 30 30 LYS HD2 H 1.658 0.030 2 246 30 30 LYS HD3 H 1.545 0.030 2 247 30 30 LYS HE2 H 2.976 0.030 2 248 30 30 LYS HE3 H 2.936 0.030 2 249 30 30 LYS HG2 H 1.486 0.030 2 250 30 30 LYS HG3 H 1.646 0.030 2 251 30 30 LYS C C 179.336 0.300 1 252 30 30 LYS CA C 59.443 0.300 1 253 30 30 LYS CB C 32.165 0.300 1 254 30 30 LYS CD C 28.992 0.300 1 255 30 30 LYS CE C 42.252 0.300 1 256 30 30 LYS CG C 25.738 0.300 1 257 30 30 LYS N N 119.166 0.300 1 258 31 31 VAL H H 7.823 0.030 1 259 31 31 VAL HA H 3.515 0.030 1 260 31 31 VAL HB H 1.976 0.030 1 261 31 31 VAL HG1 H 0.700 0.030 1 262 31 31 VAL HG2 H 0.771 0.030 1 263 31 31 VAL C C 178.820 0.300 1 264 31 31 VAL CA C 66.057 0.300 1 265 31 31 VAL CB C 31.433 0.300 1 266 31 31 VAL CG1 C 23.851 0.300 2 267 31 31 VAL CG2 C 22.966 0.300 2 268 31 31 VAL N N 119.144 0.300 1 269 32 32 ARG H H 8.322 0.030 1 270 32 32 ARG HA H 4.514 0.030 1 271 32 32 ARG HB2 H 1.929 0.030 1 272 32 32 ARG HB3 H 1.929 0.030 1 273 32 32 ARG HD2 H 3.276 0.030 1 274 32 32 ARG HD3 H 3.276 0.030 1 275 32 32 ARG HG2 H 1.673 0.030 2 276 32 32 ARG HG3 H 1.888 0.030 2 277 32 32 ARG C C 181.413 0.300 1 278 32 32 ARG CA C 59.154 0.300 1 279 32 32 ARG CB C 29.822 0.300 1 280 32 32 ARG CD C 43.947 0.300 1 281 32 32 ARG CG C 28.694 0.300 1 282 32 32 ARG N N 122.250 0.300 1 283 33 33 ASP H H 7.974 0.030 1 284 33 33 ASP HA H 4.500 0.030 1 285 33 33 ASP HB2 H 2.879 0.030 2 286 33 33 ASP HB3 H 2.742 0.030 2 287 33 33 ASP C C 177.736 0.300 1 288 33 33 ASP CA C 56.517 0.300 1 289 33 33 ASP CB C 40.305 0.300 1 290 33 33 ASP N N 120.228 0.300 1 291 34 34 LEU H H 7.615 0.030 1 292 34 34 LEU HA H 4.303 0.030 1 293 34 34 LEU HB2 H 2.047 0.030 2 294 34 34 LEU HB3 H 1.489 0.030 2 295 34 34 LEU HD1 H 0.827 0.030 1 296 34 34 LEU HD2 H 0.837 0.030 1 297 34 34 LEU HG H 2.029 0.030 1 298 34 34 LEU C C 177.309 0.300 1 299 34 34 LEU CA C 55.419 0.300 1 300 34 34 LEU CB C 41.624 0.300 1 301 34 34 LEU CD1 C 26.279 0.300 2 302 34 34 LEU CD2 C 22.156 0.300 2 303 34 34 LEU CG C 26.051 0.300 1 304 34 34 LEU N N 118.998 0.300 1 305 35 35 GLY H H 8.322 0.030 1 306 35 35 GLY HA2 H 4.353 0.030 2 307 35 35 GLY HA3 H 3.774 0.030 2 308 35 35 GLY C C 173.725 0.300 1 309 35 35 GLY CA C 44.984 0.300 1 310 35 35 GLY N N 106.546 0.300 1 311 36 36 MET H H 6.605 0.030 1 312 36 36 MET HA H 4.363 0.030 1 313 36 36 MET HB2 H 1.497 0.030 2 314 36 36 MET HB3 H 1.393 0.030 2 315 36 36 MET HE H 1.017 0.030 1 316 36 36 MET HG2 H 1.170 0.030 2 317 36 36 MET HG3 H 1.424 0.030 2 318 36 36 MET C C 174.853 0.300 1 319 36 36 MET CA C 54.925 0.300 1 320 36 36 MET CB C 36.405 0.300 1 321 36 36 MET CE C 17.601 0.300 1 322 36 36 MET CG C 31.942 0.300 1 323 36 36 MET N N 117.664 0.300 1 324 37 37 VAL H H 9.873 0.030 1 325 37 37 VAL HA H 4.100 0.030 1 326 37 37 VAL HB H 1.994 0.030 1 327 37 37 VAL HG1 H 0.989 0.030 1 328 37 37 VAL HG2 H 1.031 0.030 1 329 37 37 VAL C C 176.339 0.300 1 330 37 37 VAL CA C 63.248 0.300 1 331 37 37 VAL CB C 32.079 0.300 1 332 37 37 VAL CG1 C 21.758 0.300 2 333 37 37 VAL CG2 C 21.672 0.300 2 334 37 37 VAL N N 124.488 0.300 1 335 38 38 VAL H H 8.615 0.030 1 336 38 38 VAL HA H 5.406 0.030 1 337 38 38 VAL HB H 1.657 0.030 1 338 38 38 VAL HG1 H 0.798 0.030 1 339 38 38 VAL HG2 H 0.777 0.030 1 340 38 38 VAL C C 175.331 0.300 1 341 38 38 VAL CA C 59.813 0.300 1 342 38 38 VAL CB C 35.965 0.300 1 343 38 38 VAL CG1 C 21.413 0.300 2 344 38 38 VAL CG2 C 22.156 0.300 2 345 38 38 VAL N N 129.155 0.300 1 346 39 39 ASP H H 8.424 0.030 1 347 39 39 ASP HA H 4.911 0.030 1 348 39 39 ASP HB2 H 2.700 0.030 2 349 39 39 ASP HB3 H 2.563 0.030 2 350 39 39 ASP C C 173.418 0.300 1 351 39 39 ASP CA C 52.490 0.300 1 352 39 39 ASP CB C 44.282 0.300 1 353 39 39 ASP N N 126.533 0.300 1 354 40 40 LEU H H 8.129 0.030 1 355 40 40 LEU HA H 5.122 0.030 1 356 40 40 LEU HB2 H 1.541 0.030 2 357 40 40 LEU HB3 H 1.173 0.030 2 358 40 40 LEU HD1 H 0.797 0.030 1 359 40 40 LEU HD2 H 0.703 0.030 1 360 40 40 LEU HG H 1.474 0.030 1 361 40 40 LEU C C 176.050 0.300 1 362 40 40 LEU CA C 54.724 0.300 1 363 40 40 LEU CB C 44.032 0.300 1 364 40 40 LEU CD1 C 24.316 0.300 2 365 40 40 LEU CD2 C 25.770 0.300 2 366 40 40 LEU CG C 29.904 0.300 1 367 40 40 LEU N N 122.671 0.300 1 368 41 41 ILE H H 9.082 0.030 1 369 41 41 ILE HA H 4.173 0.030 1 370 41 41 ILE HB H 1.585 0.030 1 371 41 41 ILE HD1 H 0.767 0.030 1 372 41 41 ILE HG12 H 1.302 0.030 2 373 41 41 ILE HG13 H 1.000 0.030 2 374 41 41 ILE HG2 H 0.777 0.030 1 375 41 41 ILE C C 173.959 0.300 1 376 41 41 ILE CA C 59.981 0.300 1 377 41 41 ILE CB C 40.898 0.300 1 378 41 41 ILE CD1 C 13.531 0.300 1 379 41 41 ILE CG1 C 27.166 0.300 1 380 41 41 ILE CG2 C 16.907 0.300 1 381 41 41 ILE N N 124.807 0.300 1 382 42 42 PHE H H 8.851 0.030 1 383 42 42 PHE HA H 4.869 0.030 1 384 42 42 PHE HB2 H 2.947 0.030 2 385 42 42 PHE HB3 H 3.054 0.030 2 386 42 42 PHE HD1 H 7.278 0.030 1 387 42 42 PHE HD2 H 7.278 0.030 1 388 42 42 PHE HE1 H 7.244 0.030 1 389 42 42 PHE HE2 H 7.244 0.030 1 390 42 42 PHE HZ H 7.274 0.030 1 391 42 42 PHE C C 176.213 0.300 1 392 42 42 PHE CA C 57.049 0.300 1 393 42 42 PHE CB C 39.236 0.300 1 394 42 42 PHE CD1 C 132.238 0.300 1 395 42 42 PHE CD2 C 132.238 0.300 1 396 42 42 PHE CE1 C 130.845 0.300 1 397 42 42 PHE CE2 C 130.845 0.300 1 398 42 42 PHE CZ C 129.071 0.300 1 399 42 42 PHE N N 125.433 0.300 1 400 43 43 LEU H H 8.186 0.030 1 401 43 43 LEU HA H 4.358 0.030 1 402 43 43 LEU HB2 H 1.814 0.030 2 403 43 43 LEU HB3 H 1.886 0.030 2 404 43 43 LEU HD1 H 0.863 0.030 1 405 43 43 LEU HD2 H 0.690 0.030 1 406 43 43 LEU HG H 1.573 0.030 1 407 43 43 LEU C C 177.064 0.300 1 408 43 43 LEU CA C 54.838 0.300 1 409 43 43 LEU CB C 41.222 0.300 1 410 43 43 LEU CD1 C 26.030 0.300 2 411 43 43 LEU CD2 C 22.566 0.300 2 412 43 43 LEU CG C 26.238 0.300 1 413 43 43 LEU N N 122.785 0.300 1 414 45 45 THR H H 7.698 0.030 1 415 45 45 THR HA H 4.316 0.030 1 416 45 45 THR HB H 4.398 0.030 1 417 45 45 THR HG2 H 1.335 0.030 1 418 45 45 THR CA C 63.400 0.300 1 419 45 45 THR CB C 69.503 0.300 1 420 45 45 THR CG2 C 21.914 0.300 1 421 46 46 GLU HA H 4.285 0.030 1 422 46 46 GLU HB2 H 2.201 0.030 2 423 46 46 GLU HB3 H 2.087 0.030 2 424 46 46 GLU HG2 H 2.316 0.030 1 425 46 46 GLU HG3 H 2.316 0.030 1 426 46 46 GLU C C 176.748 0.300 1 427 46 46 GLU CA C 57.802 0.300 1 428 46 46 GLU CB C 29.983 0.300 1 429 46 46 GLU CG C 36.947 0.300 1 430 47 47 VAL H H 7.695 0.030 1 431 47 47 VAL HA H 4.216 0.030 1 432 47 47 VAL HB H 2.098 0.030 1 433 47 47 VAL HG1 H 0.997 0.030 1 434 47 47 VAL C C 174.993 0.300 1 435 47 47 VAL CA C 62.619 0.300 1 436 47 47 VAL CB C 33.206 0.300 1 437 47 47 VAL CG1 C 21.044 0.300 2 438 47 47 VAL N N 120.239 0.300 1 439 48 48 SER H H 8.101 0.030 1 440 48 48 SER HA H 4.258 0.030 1 441 48 48 SER HB2 H 4.085 0.030 1 442 48 48 SER HB3 H 4.085 0.030 1 443 48 48 SER CB C 63.076 0.300 1 444 48 48 SER N N 119.613 0.300 1 445 49 49 LEU H H 8.548 0.030 1 446 49 49 LEU HA H 4.016 0.030 1 447 49 49 LEU HB2 H 1.896 0.030 2 448 49 49 LEU HB3 H 1.489 0.030 2 449 49 49 LEU HD1 H 0.954 0.030 1 450 49 49 LEU HD2 H 0.942 0.030 1 451 49 49 LEU HG H 1.618 0.030 1 452 49 49 LEU C C 177.855 0.300 1 453 49 49 LEU CA C 58.719 0.300 1 454 49 49 LEU CB C 41.296 0.300 1 455 49 49 LEU CD1 C 25.950 0.300 2 456 49 49 LEU CD2 C 24.162 0.300 2 457 49 49 LEU CG C 27.241 0.300 1 458 50 50 SER H H 8.377 0.030 1 459 50 50 SER HA H 3.886 0.030 1 460 50 50 SER HB2 H 4.068 0.030 1 461 50 50 SER HB3 H 4.068 0.030 1 462 50 50 SER C C 177.351 0.300 1 463 50 50 SER CA C 62.156 0.300 1 464 50 50 SER CB C 61.991 0.300 1 465 50 50 SER N N 112.000 0.300 1 466 51 51 GLN H H 7.831 0.030 1 467 51 51 GLN HA H 4.013 0.030 1 468 51 51 GLN HB2 H 2.241 0.030 2 469 51 51 GLN HB3 H 2.146 0.030 2 470 51 51 GLN HE21 H 6.893 0.030 2 471 51 51 GLN HE22 H 7.825 0.030 2 472 51 51 GLN HG2 H 2.417 0.030 1 473 51 51 GLN HG3 H 2.417 0.030 1 474 51 51 GLN C C 177.610 0.300 1 475 51 51 GLN CA C 58.532 0.300 1 476 51 51 GLN CB C 28.639 0.300 1 477 51 51 GLN CG C 34.089 0.300 1 478 51 51 GLN N N 123.042 0.300 1 479 51 51 GLN NE2 N 114.778 0.300 1 480 52 52 ALA H H 8.315 0.030 1 481 52 52 ALA HA H 4.219 0.030 1 482 52 52 ALA HB H 1.442 0.030 1 483 52 52 ALA C C 180.545 0.300 1 484 52 52 ALA CA C 55.163 0.300 1 485 52 52 ALA CB C 18.792 0.300 1 486 52 52 ALA N N 122.633 0.300 1 487 53 53 LEU H H 8.441 0.030 1 488 53 53 LEU HA H 3.838 0.030 1 489 53 53 LEU HB2 H 1.826 0.030 2 490 53 53 LEU HB3 H 1.373 0.030 2 491 53 53 LEU HD1 H 0.782 0.030 1 492 53 53 LEU HD2 H 0.593 0.030 1 493 53 53 LEU HG H 1.587 0.030 1 494 53 53 LEU C C 179.512 0.300 1 495 53 53 LEU CA C 58.129 0.300 1 496 53 53 LEU CB C 41.753 0.300 1 497 53 53 LEU CD1 C 25.457 0.300 2 498 53 53 LEU CD2 C 23.155 0.300 2 499 53 53 LEU CG C 27.374 0.300 1 500 53 53 LEU N N 117.608 0.300 1 501 54 54 GLU H H 7.786 0.030 1 502 54 54 GLU HA H 4.048 0.030 1 503 54 54 GLU HB2 H 2.182 0.030 2 504 54 54 GLU HB3 H 2.124 0.030 2 505 54 54 GLU HG2 H 2.384 0.030 2 506 54 54 GLU HG3 H 2.261 0.030 2 507 54 54 GLU C C 179.058 0.300 1 508 54 54 GLU CA C 59.612 0.300 1 509 54 54 GLU CB C 29.369 0.300 1 510 54 54 GLU CG C 36.473 0.300 1 511 54 54 GLU N N 121.264 0.300 1 512 55 55 ASP H H 8.446 0.030 1 513 55 55 ASP HA H 4.416 0.030 1 514 55 55 ASP HB2 H 2.963 0.030 2 515 55 55 ASP HB3 H 2.658 0.030 2 516 55 55 ASP C C 180.281 0.300 1 517 55 55 ASP CA C 57.799 0.300 1 518 55 55 ASP CB C 40.120 0.300 1 519 55 55 ASP N N 121.190 0.300 1 520 56 56 VAL H H 8.257 0.030 1 521 56 56 VAL HA H 3.816 0.030 1 522 56 56 VAL HB H 2.226 0.030 1 523 56 56 VAL HG1 H 1.109 0.030 1 524 56 56 VAL HG2 H 0.993 0.030 1 525 56 56 VAL C C 178.983 0.300 1 526 56 56 VAL CA C 66.221 0.300 1 527 56 56 VAL CB C 31.520 0.300 1 528 56 56 VAL CG1 C 22.641 0.300 2 529 56 56 VAL CG2 C 22.156 0.300 2 530 56 56 VAL N N 121.647 0.300 1 531 57 57 SER H H 8.096 0.030 1 532 57 57 SER HA H 4.260 0.030 1 533 57 57 SER HB2 H 4.270 0.030 2 534 57 57 SER HB3 H 4.059 0.030 2 535 57 57 SER C C 178.671 0.300 1 536 57 57 SER CA C 61.264 0.300 1 537 57 57 SER CB C 65.167 0.300 1 538 57 57 SER N N 115.515 0.300 1 539 58 58 ARG H H 8.602 0.030 1 540 58 58 ARG HA H 4.418 0.030 1 541 58 58 ARG HB2 H 2.006 0.030 2 542 58 58 ARG HB3 H 1.929 0.030 2 543 58 58 ARG HD2 H 3.270 0.030 1 544 58 58 ARG HD3 H 3.270 0.030 1 545 58 58 ARG HG2 H 1.859 0.030 1 546 58 58 ARG HG3 H 1.859 0.030 1 547 58 58 ARG C C 178.568 0.300 1 548 58 58 ARG CA C 58.880 0.300 1 549 58 58 ARG CB C 30.187 0.300 1 550 58 58 ARG CD C 43.543 0.300 1 551 58 58 ARG CG C 28.008 0.300 1 552 58 58 ARG N N 121.635 0.300 1 553 59 59 GLY H H 7.867 0.030 1 554 59 59 GLY HA2 H 4.128 0.030 2 555 59 59 GLY HA3 H 3.989 0.030 2 556 59 59 GLY C C 175.269 0.300 1 557 59 59 GLY CA C 45.697 0.300 1 558 59 59 GLY N N 105.483 0.300 1 559 60 60 GLY H H 7.655 0.030 1 560 60 60 GLY HA2 H 4.290 0.030 2 561 60 60 GLY HA3 H 3.805 0.030 2 562 60 60 GLY C C 175.193 0.300 1 563 60 60 GLY CA C 45.478 0.300 1 564 60 60 GLY N N 106.108 0.300 1 565 61 61 SER H H 7.615 0.030 1 566 61 61 SER HA H 4.778 0.030 1 567 61 61 SER HB2 H 3.789 0.030 2 568 61 61 SER HB3 H 3.592 0.030 2 569 61 61 SER C C 174.065 0.300 1 570 61 61 SER CA C 57.943 0.300 1 571 61 61 SER CB C 63.547 0.300 1 572 61 61 SER N N 118.254 0.300 1 573 62 62 PRO HA H 4.129 0.030 1 574 62 62 PRO HB2 H 0.927 0.030 2 575 62 62 PRO HB3 H 1.181 0.030 2 576 62 62 PRO HD2 H 4.419 0.030 2 577 62 62 PRO HD3 H 3.595 0.030 2 578 62 62 PRO HG2 H 2.266 0.030 2 579 62 62 PRO HG3 H 1.165 0.030 2 580 62 62 PRO C C 175.357 0.300 1 581 62 62 PRO CA C 64.193 0.300 1 582 62 62 PRO CB C 32.228 0.300 1 583 62 62 PRO CD C 51.925 0.300 1 584 62 62 PRO CG C 26.288 0.300 1 585 63 63 PHE H H 7.260 0.030 1 586 63 63 PHE HA H 5.437 0.030 1 587 63 63 PHE HB2 H 2.913 0.030 1 588 63 63 PHE HB3 H 2.913 0.030 1 589 63 63 PHE HD1 H 7.245 0.030 1 590 63 63 PHE HD2 H 7.245 0.030 1 591 63 63 PHE HE1 H 7.109 0.030 1 592 63 63 PHE HE2 H 7.109 0.030 1 593 63 63 PHE HZ H 7.179 0.030 1 594 63 63 PHE C C 174.323 0.300 1 595 63 63 PHE CA C 56.389 0.300 1 596 63 63 PHE CB C 44.248 0.300 1 597 63 63 PHE CD1 C 132.638 0.300 1 598 63 63 PHE CD2 C 132.638 0.300 1 599 63 63 PHE CE1 C 129.884 0.300 1 600 63 63 PHE CE2 C 129.884 0.300 1 601 63 63 PHE CZ C 128.689 0.300 1 602 63 63 PHE N N 112.150 0.300 1 603 64 64 ALA H H 8.949 0.030 1 604 64 64 ALA HA H 5.557 0.030 1 605 64 64 ALA HB H 1.317 0.030 1 606 64 64 ALA C C 175.873 0.300 1 607 64 64 ALA CA C 50.952 0.300 1 608 64 64 ALA CB C 22.593 0.300 1 609 64 64 ALA N N 120.636 0.300 1 610 65 65 ILE H H 8.846 0.030 1 611 65 65 ILE HA H 5.111 0.030 1 612 65 65 ILE HB H 1.436 0.030 1 613 65 65 ILE HD1 H 0.571 0.030 1 614 65 65 ILE HG12 H 0.968 0.030 2 615 65 65 ILE HG13 H 1.463 0.030 2 616 65 65 ILE HG2 H 0.759 0.030 1 617 65 65 ILE C C 173.884 0.300 1 618 65 65 ILE CA C 59.245 0.300 1 619 65 65 ILE CB C 41.195 0.300 1 620 65 65 ILE CD1 C 13.902 0.300 1 621 65 65 ILE CG1 C 28.468 0.300 1 622 65 65 ILE CG2 C 17.401 0.300 1 623 65 65 ILE N N 122.582 0.300 1 624 66 66 VAL H H 9.150 0.030 1 625 66 66 VAL HA H 4.564 0.030 1 626 66 66 VAL HB H 1.851 0.030 1 627 66 66 VAL HG1 H 0.947 0.030 1 628 66 66 VAL HG2 H 1.027 0.030 1 629 66 66 VAL C C 174.551 0.300 1 630 66 66 VAL CA C 62.248 0.300 1 631 66 66 VAL CB C 34.358 0.300 1 632 66 66 VAL CG1 C 21.914 0.300 2 633 66 66 VAL CG2 C 21.914 0.300 2 634 66 66 VAL N N 129.234 0.300 1 635 67 67 ILE H H 8.760 0.030 1 636 67 67 ILE HA H 5.506 0.030 1 637 67 67 ILE HB H 2.044 0.030 1 638 67 67 ILE HD1 H 0.795 0.030 1 639 67 67 ILE HG12 H 1.361 0.030 2 640 67 67 ILE HG13 H 1.247 0.030 2 641 67 67 ILE HG2 H 1.262 0.030 1 642 67 67 ILE C C 176.106 0.300 1 643 67 67 ILE CA C 58.491 0.300 1 644 67 67 ILE CB C 39.485 0.300 1 645 67 67 ILE CD1 C 12.252 0.300 1 646 67 67 ILE CG1 C 27.329 0.300 1 647 67 67 ILE CG2 C 18.676 0.300 1 648 67 67 ILE N N 124.798 0.300 1 649 68 68 THR H H 8.291 0.030 1 650 68 68 THR HG2 H 1.224 0.030 1 651 68 68 THR C C 175.721 0.300 1 652 68 68 THR CA C 60.270 0.300 1 653 68 68 THR CB C 71.927 0.300 1 654 68 68 THR CG2 C 21.258 0.300 1 655 69 69 GLN H H 8.970 0.030 1 656 69 69 GLN HA H 4.067 0.030 1 657 69 69 GLN HB2 H 2.037 0.030 1 658 69 69 GLN HB3 H 2.037 0.030 1 659 69 69 GLN HE21 H 7.378 0.030 2 660 69 69 GLN HE22 H 6.760 0.030 2 661 69 69 GLN HG2 H 2.332 0.030 1 662 69 69 GLN HG3 H 2.332 0.030 1 663 69 69 GLN C C 178.706 0.300 1 664 69 69 GLN CA C 58.587 0.300 1 665 69 69 GLN CB C 28.694 0.300 1 666 69 69 GLN CG C 34.089 0.300 1 667 69 69 GLN N N 119.156 0.300 1 668 69 69 GLN NE2 N 111.669 0.300 1 669 70 70 GLN H H 8.099 0.030 1 670 70 70 GLN HA H 3.925 0.030 1 671 70 70 GLN HB2 H 1.910 0.030 1 672 70 70 GLN HB3 H 1.910 0.030 1 673 70 70 GLN HE21 H 7.580 0.030 2 674 70 70 GLN HE22 H 6.857 0.030 2 675 70 70 GLN HG2 H 2.311 0.030 1 676 70 70 GLN HG3 H 2.311 0.030 1 677 70 70 GLN C C 177.812 0.300 1 678 70 70 GLN CA C 58.715 0.300 1 679 70 70 GLN CB C 28.036 0.300 1 680 70 70 GLN CG C 33.924 0.300 1 681 70 70 GLN N N 117.288 0.300 1 682 70 70 GLN NE2 N 112.238 0.300 1 683 71 71 HIS H H 7.330 0.030 1 684 71 71 HIS HA H 4.658 0.030 1 685 71 71 HIS HB2 H 3.827 0.030 2 686 71 71 HIS HB3 H 3.653 0.030 2 687 71 71 HIS HD2 H 7.076 0.030 1 688 71 71 HIS HE1 H 7.649 0.030 1 689 71 71 HIS C C 178.404 0.300 1 690 71 71 HIS CA C 58.569 0.300 1 691 71 71 HIS CB C 30.659 0.300 1 692 71 71 HIS CD2 C 115.737 0.300 1 693 71 71 HIS CE1 C 138.394 0.300 1 694 71 71 HIS N N 119.512 0.300 1 695 72 72 GLN H H 7.178 0.030 1 696 72 72 GLN HA H 2.394 0.030 1 697 72 72 GLN HB2 H 2.100 0.030 2 698 72 72 GLN HB3 H 1.661 0.030 2 699 72 72 GLN HE21 H 7.424 0.030 2 700 72 72 GLN HE22 H 6.853 0.030 2 701 72 72 GLN HG2 H 1.965 0.030 2 702 72 72 GLN HG3 H 2.020 0.030 2 703 72 72 GLN C C 178.001 0.300 1 704 72 72 GLN CA C 58.554 0.300 1 705 72 72 GLN CB C 27.908 0.300 1 706 72 72 GLN CG C 33.267 0.300 1 707 72 72 GLN N N 117.206 0.300 1 708 72 72 GLN NE2 N 111.088 0.300 1 709 73 73 ILE H H 7.225 0.030 1 710 73 73 ILE HA H 3.514 0.030 1 711 73 73 ILE HB H 1.643 0.030 1 712 73 73 ILE HD1 H 0.764 0.030 1 713 73 73 ILE HG12 H 1.516 0.030 2 714 73 73 ILE HG13 H 1.086 0.030 2 715 73 73 ILE HG2 H 0.450 0.030 1 716 73 73 ILE C C 177.951 0.300 1 717 73 73 ILE CA C 64.299 0.300 1 718 73 73 ILE CB C 38.040 0.300 1 719 73 73 ILE CD1 C 12.874 0.300 1 720 73 73 ILE CG1 C 28.469 0.300 1 721 73 73 ILE CG2 C 16.451 0.300 1 722 73 73 ILE N N 118.657 0.300 1 723 74 74 HIS H H 7.513 0.030 1 724 74 74 HIS HA H 4.542 0.030 1 725 74 74 HIS HB2 H 3.283 0.030 2 726 74 74 HIS HB3 H 2.955 0.030 2 727 74 74 HIS HD2 H 7.054 0.030 1 728 74 74 HIS HE1 H 7.779 0.030 1 729 74 74 HIS C C 174.475 0.300 1 730 74 74 HIS CA C 56.536 0.300 1 731 74 74 HIS CB C 30.359 0.300 1 732 74 74 HIS CD2 C 121.111 0.300 1 733 74 74 HIS CE1 C 138.422 0.300 1 734 74 74 HIS N N 115.355 0.300 1 735 75 75 ARG H H 7.856 0.030 1 736 75 75 ARG HA H 4.090 0.030 1 737 75 75 ARG HB2 H 2.120 0.030 1 738 75 75 ARG HB3 H 2.120 0.030 1 739 75 75 ARG HD2 H 3.321 0.030 1 740 75 75 ARG HD3 H 3.321 0.030 1 741 75 75 ARG HG2 H 1.728 0.030 1 742 75 75 ARG HG3 H 1.728 0.030 1 743 75 75 ARG C C 175.735 0.300 1 744 75 75 ARG CA C 57.360 0.300 1 745 75 75 ARG CB C 27.005 0.300 1 746 75 75 ARG CD C 43.707 0.300 1 747 75 75 ARG CG C 28.452 0.300 1 748 75 75 ARG N N 121.153 0.300 1 749 76 76 SER H H 9.203 0.030 1 750 76 76 SER HA H 5.427 0.030 1 751 76 76 SER HB2 H 3.517 0.030 2 752 76 76 SER HB3 H 3.555 0.030 2 753 76 76 SER C C 175.848 0.300 1 754 76 76 SER CA C 55.987 0.300 1 755 76 76 SER CB C 67.431 0.300 1 756 76 76 SER N N 115.494 0.300 1 757 77 77 CYS H H 8.842 0.030 1 758 77 77 CYS HA H 3.911 0.030 1 759 77 77 CYS HB2 H 3.258 0.030 2 760 77 77 CYS HB3 H 2.379 0.030 2 761 77 77 CYS C C 171.642 0.300 1 762 77 77 CYS CA C 57.396 0.300 1 763 77 77 CYS CB C 29.585 0.300 1 764 77 77 CYS N N 111.482 0.300 1 765 78 78 THR H H 7.749 0.030 1 766 78 78 THR HA H 5.375 0.030 1 767 78 78 THR HB H 4.279 0.030 1 768 78 78 THR HG2 H 1.246 0.030 1 769 78 78 THR C C 173.027 0.300 1 770 78 78 THR CA C 61.589 0.300 1 771 78 78 THR CB C 71.987 0.300 1 772 78 78 THR CG2 C 22.908 0.300 1 773 78 78 THR N N 118.792 0.300 1 774 79 79 VAL H H 8.927 0.030 1 775 79 79 VAL HA H 4.511 0.030 1 776 79 79 VAL HB H 2.095 0.030 1 777 79 79 VAL HG1 H 0.904 0.030 1 778 79 79 VAL HG2 H 0.876 0.030 1 779 79 79 VAL C C 173.719 0.300 1 780 79 79 VAL CA C 61.790 0.300 1 781 79 79 VAL CB C 34.831 0.300 1 782 79 79 VAL CG1 C 21.511 0.300 2 783 79 79 VAL CG2 C 21.695 0.300 2 784 79 79 VAL N N 126.967 0.300 1 785 80 80 ASN H H 9.604 0.030 1 786 80 80 ASN HA H 5.401 0.030 1 787 80 80 ASN HB2 H 2.622 0.030 1 788 80 80 ASN HB3 H 2.622 0.030 1 789 80 80 ASN HD21 H 6.534 0.030 2 790 80 80 ASN HD22 H 6.922 0.030 2 791 80 80 ASN C C 173.777 0.300 1 792 80 80 ASN CA C 53.496 0.300 1 793 80 80 ASN CB C 41.323 0.300 1 794 80 80 ASN N N 127.407 0.300 1 795 80 80 ASN ND2 N 106.427 0.300 1 796 81 81 ILE H H 9.069 0.030 1 797 81 81 ILE HA H 4.226 0.030 1 798 81 81 ILE HB H 1.857 0.030 1 799 81 81 ILE HD1 H 0.917 0.030 1 800 81 81 ILE HG12 H 1.225 0.030 2 801 81 81 ILE HG13 H 1.740 0.030 2 802 81 81 ILE HG2 H 0.566 0.030 1 803 81 81 ILE C C 176.478 0.300 1 804 81 81 ILE CA C 61.864 0.300 1 805 81 81 ILE CB C 37.969 0.300 1 806 81 81 ILE CD1 C 12.975 0.300 1 807 81 81 ILE CG1 C 27.967 0.300 1 808 81 81 ILE CG2 C 18.685 0.300 1 809 81 81 ILE N N 124.594 0.300 1 810 82 82 MET H H 8.650 0.030 1 811 82 82 MET HA H 4.437 0.030 1 812 82 82 MET HB2 H 2.179 0.030 2 813 82 82 MET HB3 H 2.008 0.030 2 814 82 82 MET HE H 1.933 0.030 1 815 82 82 MET HG2 H 2.280 0.030 1 816 82 82 MET HG3 H 2.280 0.030 1 817 82 82 MET C C 175.784 0.300 1 818 82 82 MET CA C 55.236 0.300 1 819 82 82 MET CB C 32.853 0.300 1 820 82 82 MET CE C 17.930 0.300 1 821 82 82 MET CG C 32.445 0.300 1 822 82 82 MET N N 123.793 0.300 1 823 83 83 PHE H H 6.827 0.030 1 824 83 83 PHE HA H 4.863 0.030 1 825 83 83 PHE HB2 H 3.393 0.030 2 826 83 83 PHE HB3 H 2.879 0.030 2 827 83 83 PHE HD1 H 7.151 0.030 1 828 83 83 PHE HD2 H 7.151 0.030 1 829 83 83 PHE HE1 H 7.075 0.030 1 830 83 83 PHE HE2 H 7.075 0.030 1 831 83 83 PHE HZ H 7.460 0.030 1 832 83 83 PHE C C 173.820 0.300 1 833 83 83 PHE CA C 64.196 0.300 1 834 83 83 PHE CB C 40.315 0.300 1 835 83 83 PHE CD1 C 132.616 0.300 1 836 83 83 PHE CD2 C 132.616 0.300 1 837 83 83 PHE CE1 C 131.188 0.300 1 838 83 83 PHE CE2 C 131.188 0.300 1 839 83 83 PHE CZ C 130.108 0.300 1 840 83 83 PHE N N 116.164 0.300 1 841 84 84 GLY H H 8.788 0.030 1 842 84 84 GLY HA2 H 3.791 0.030 2 843 84 84 GLY HA3 H 3.718 0.030 2 844 84 84 GLY C C 175.206 0.300 1 845 84 84 GLY CA C 46.319 0.300 1 846 84 84 GLY N N 109.331 0.300 1 847 85 85 THR H H 8.191 0.030 1 848 85 85 THR HA H 4.505 0.030 1 849 85 85 THR HB H 4.032 0.030 1 850 85 85 THR HG2 H 1.228 0.030 1 851 85 85 THR C C 172.200 0.300 1 852 85 85 THR CA C 60.537 0.300 1 853 85 85 THR CB C 69.236 0.300 1 854 85 85 THR CG2 C 21.499 0.300 1 855 85 85 THR N N 125.007 0.300 1 856 86 86 PRO HA H 4.279 0.030 1 857 86 86 PRO HB2 H 2.331 0.030 2 858 86 86 PRO HB3 H 1.846 0.030 2 859 86 86 PRO HD2 H 3.610 0.030 2 860 86 86 PRO HD3 H 4.185 0.030 2 861 86 86 PRO HG2 H 1.774 0.030 2 862 86 86 PRO HG3 H 2.005 0.030 2 863 86 86 PRO C C 176.446 0.300 1 864 86 86 PRO CA C 63.624 0.300 1 865 86 86 PRO CB C 33.052 0.300 1 866 86 86 PRO CD C 51.559 0.300 1 867 86 86 PRO CG C 27.483 0.300 1 868 87 87 GLN H H 8.238 0.030 1 869 87 87 GLN HA H 4.605 0.030 1 870 87 87 GLN HB2 H 1.748 0.030 2 871 87 87 GLN HB3 H 1.986 0.030 2 872 87 87 GLN HE21 H 7.698 0.030 2 873 87 87 GLN HE22 H 6.843 0.030 2 874 87 87 GLN HG2 H 2.332 0.030 1 875 87 87 GLN HG3 H 2.332 0.030 1 876 87 87 GLN C C 174.064 0.300 1 877 87 87 GLN CA C 54.319 0.300 1 878 87 87 GLN CB C 34.008 0.300 1 879 87 87 GLN CG C 32.794 0.300 1 880 87 87 GLN N N 116.919 0.300 1 881 87 87 GLN NE2 N 111.916 0.300 1 882 88 88 GLU H H 8.547 0.030 1 883 88 88 GLU HA H 4.964 0.030 1 884 88 88 GLU HB2 H 1.929 0.030 2 885 88 88 GLU HB3 H 1.798 0.030 2 886 88 88 GLU HG2 H 1.794 0.030 2 887 88 88 GLU HG3 H 2.020 0.030 2 888 88 88 GLU C C 174.377 0.300 1 889 88 88 GLU CA C 55.419 0.300 1 890 88 88 GLU CB C 32.758 0.300 1 891 88 88 GLU CG C 37.311 0.300 1 892 88 88 GLU N N 124.878 0.300 1 893 89 89 HIS H H 9.330 0.030 1 894 89 89 HIS HA H 4.764 0.030 1 895 89 89 HIS HB2 H 3.200 0.030 2 896 89 89 HIS HB3 H 3.055 0.030 2 897 89 89 HIS HD2 H 6.485 0.030 1 898 89 89 HIS HE1 H 7.707 0.030 1 899 89 89 HIS C C 174.966 0.300 1 900 89 89 HIS CA C 54.742 0.300 1 901 89 89 HIS CB C 32.246 0.300 1 902 89 89 HIS CD2 C 116.356 0.300 1 903 89 89 HIS CE1 C 138.794 0.300 1 904 89 89 HIS N N 128.864 0.300 1 905 90 90 ARG H H 8.924 0.030 1 906 90 90 ARG HA H 4.732 0.030 1 907 90 90 ARG HB2 H 1.775 0.030 2 908 90 90 ARG HB3 H 1.685 0.030 2 909 90 90 ARG HD2 H 3.189 0.030 1 910 90 90 ARG HD3 H 3.189 0.030 1 911 90 90 ARG HG2 H 1.544 0.030 2 912 90 90 ARG HG3 H 1.654 0.030 2 913 90 90 ARG C C 177.019 0.300 1 914 90 90 ARG CA C 56.389 0.300 1 915 90 90 ARG CB C 31.779 0.300 1 916 90 90 ARG CD C 43.460 0.300 1 917 90 90 ARG CG C 28.078 0.300 1 918 90 90 ARG N N 122.871 0.300 1 919 91 91 ASN H H 8.706 0.030 1 920 91 91 ASN HA H 3.929 0.030 1 921 91 91 ASN HB2 H 3.077 0.030 2 922 91 91 ASN HB3 H 2.942 0.030 2 923 91 91 ASN HD21 H 6.770 0.030 2 924 91 91 ASN HD22 H 7.668 0.030 2 925 91 91 ASN C C 173.934 0.300 1 926 91 91 ASN CA C 54.046 0.300 1 927 91 91 ASN CB C 36.421 0.300 1 928 91 91 ASN N N 120.041 0.300 1 929 91 91 ASN ND2 N 113.226 0.300 1 930 92 92 MET H H 8.680 0.030 1 931 92 92 MET HB2 H 1.897 0.030 2 932 92 92 MET HB3 H 2.001 0.030 2 933 92 92 MET HE H 1.988 0.030 1 934 92 92 MET HG2 H 2.523 0.030 1 935 92 92 MET HG3 H 2.523 0.030 1 936 92 92 MET C C 174.015 0.300 1 937 92 92 MET CA C 54.058 0.300 1 938 92 92 MET CB C 35.116 0.300 1 939 92 92 MET CE C 17.252 0.300 1 940 92 92 MET CG C 32.157 0.300 1 941 92 92 MET N N 120.126 0.300 1 942 93 93 PRO HA H 4.490 0.030 1 943 93 93 PRO HB2 H 2.036 0.030 2 944 93 93 PRO HB3 H 2.637 0.030 2 945 93 93 PRO HD2 H 3.708 0.030 2 946 93 93 PRO HD3 H 4.168 0.030 2 947 93 93 PRO HG2 H 2.288 0.030 2 948 93 93 PRO HG3 H 2.113 0.030 2 949 93 93 PRO C C 178.635 0.300 1 950 93 93 PRO CA C 63.637 0.300 1 951 93 93 PRO CB C 32.568 0.300 1 952 93 93 PRO CD C 51.160 0.300 1 953 93 93 PRO CG C 28.334 0.300 1 954 94 94 GLN H H 8.809 0.030 1 955 94 94 GLN HA H 3.784 0.030 1 956 94 94 GLN HB2 H 2.058 0.030 2 957 94 94 GLN HB3 H 1.998 0.030 2 958 94 94 GLN HE21 H 6.701 0.030 2 959 94 94 GLN HE22 H 7.275 0.030 2 960 94 94 GLN HG2 H 2.232 0.030 2 961 94 94 GLN HG3 H 2.154 0.030 2 962 94 94 GLN C C 176.855 0.300 1 963 94 94 GLN CA C 60.875 0.300 1 964 94 94 GLN CB C 29.456 0.300 1 965 94 94 GLN CG C 34.664 0.300 1 966 94 94 GLN N N 123.803 0.300 1 967 94 94 GLN NE2 N 108.203 0.300 1 968 95 95 ALA H H 9.306 0.030 1 969 95 95 ALA HA H 4.111 0.030 1 970 95 95 ALA HB H 1.456 0.030 1 971 95 95 ALA C C 180.810 0.300 1 972 95 95 ALA CA C 55.731 0.300 1 973 95 95 ALA CB C 18.104 0.300 1 974 95 95 ALA N N 119.728 0.300 1 975 96 96 ASP H H 7.041 0.030 1 976 96 96 ASP HA H 4.398 0.030 1 977 96 96 ASP HB2 H 2.700 0.030 1 978 96 96 ASP HB3 H 2.700 0.030 1 979 96 96 ASP C C 179.260 0.300 1 980 96 96 ASP CA C 56.737 0.300 1 981 96 96 ASP CB C 40.420 0.300 1 982 96 96 ASP N N 117.199 0.300 1 983 97 97 ALA H H 8.542 0.030 1 984 97 97 ALA HA H 4.097 0.030 1 985 97 97 ALA HB H 1.164 0.030 1 986 97 97 ALA C C 178.744 0.300 1 987 97 97 ALA CA C 54.962 0.300 1 988 97 97 ALA CB C 18.406 0.300 1 989 97 97 ALA N N 124.476 0.300 1 990 98 98 MET H H 8.007 0.030 1 991 98 98 MET HA H 4.321 0.030 1 992 98 98 MET HB2 H 2.260 0.030 2 993 98 98 MET HB3 H 1.874 0.030 2 994 98 98 MET HE H 1.735 0.030 1 995 98 98 MET HG2 H 2.819 0.030 1 996 98 98 MET HG3 H 2.819 0.030 1 997 98 98 MET C C 179.273 0.300 1 998 98 98 MET CA C 56.957 0.300 1 999 98 98 MET CB C 32.654 0.300 1 1000 98 98 MET CE C 18.676 0.300 1 1001 98 98 MET CG C 32.445 0.300 1 1002 98 98 MET N N 115.336 0.300 1 1003 99 99 VAL H H 7.165 0.030 1 1004 99 99 VAL HA H 3.732 0.030 1 1005 99 99 VAL HB H 2.131 0.030 1 1006 99 99 VAL HG1 H 1.122 0.030 1 1007 99 99 VAL HG2 H 0.985 0.030 1 1008 99 99 VAL C C 177.838 0.300 1 1009 99 99 VAL CA C 66.496 0.300 1 1010 99 99 VAL CB C 32.115 0.300 1 1011 99 99 VAL CG1 C 22.415 0.300 2 1012 99 99 VAL CG2 C 21.264 0.300 2 1013 99 99 VAL N N 120.411 0.300 1 1014 100 100 LEU H H 7.657 0.030 1 1015 100 100 LEU HA H 4.058 0.030 1 1016 100 100 LEU HB2 H 1.881 0.030 2 1017 100 100 LEU HB3 H 1.604 0.030 2 1018 100 100 LEU HD1 H 0.494 0.030 1 1019 100 100 LEU HD2 H 0.487 0.030 1 1020 100 100 LEU HG H 1.292 0.030 1 1021 100 100 LEU C C 181.049 0.300 1 1022 100 100 LEU CA C 58.898 0.300 1 1023 100 100 LEU CB C 42.442 0.300 1 1024 100 100 LEU CD1 C 24.635 0.300 2 1025 100 100 LEU CD2 C 26.272 0.300 2 1026 100 100 LEU CG C 27.024 0.300 1 1027 100 100 LEU N N 121.307 0.300 1 1028 101 101 VAL H H 8.841 0.030 1 1029 101 101 VAL HA H 3.226 0.030 1 1030 101 101 VAL HB H 1.826 0.030 1 1031 101 101 VAL HG1 H 0.716 0.030 1 1032 101 101 VAL HG2 H 0.076 0.030 1 1033 101 101 VAL C C 176.711 0.300 1 1034 101 101 VAL CA C 67.283 0.300 1 1035 101 101 VAL CB C 31.047 0.300 1 1036 101 101 VAL CG1 C 23.566 0.300 2 1037 101 101 VAL CG2 C 21.264 0.300 2 1038 101 101 VAL N N 121.701 0.300 1 1039 102 102 ALA H H 8.257 0.030 1 1040 102 102 ALA HA H 4.042 0.030 1 1041 102 102 ALA HB H 1.653 0.030 1 1042 102 102 ALA C C 181.212 0.300 1 1043 102 102 ALA CA C 56.243 0.300 1 1044 102 102 ALA CB C 18.643 0.300 1 1045 102 102 ALA N N 122.169 0.300 1 1046 103 103 ARG H H 8.525 0.030 1 1047 103 103 ARG HA H 4.303 0.030 1 1048 103 103 ARG HB2 H 1.960 0.030 2 1049 103 103 ARG HB3 H 2.061 0.030 2 1050 103 103 ARG HD2 H 3.247 0.030 1 1051 103 103 ARG HD3 H 3.247 0.030 1 1052 103 103 ARG HG2 H 1.878 0.030 2 1053 103 103 ARG HG3 H 1.812 0.030 2 1054 103 103 ARG C C 180.368 0.300 1 1055 103 103 ARG CA C 59.209 0.300 1 1056 103 103 ARG CB C 30.402 0.300 1 1057 103 103 ARG CD C 43.705 0.300 1 1058 103 103 ARG CG C 27.238 0.300 1 1059 103 103 ARG N N 116.905 0.300 1 1060 104 104 ASN H H 8.311 0.030 1 1061 104 104 ASN HA H 4.922 0.030 1 1062 104 104 ASN HB2 H 3.216 0.030 2 1063 104 104 ASN HB3 H 2.926 0.030 2 1064 104 104 ASN HD21 H 7.902 0.030 2 1065 104 104 ASN HD22 H 7.735 0.030 2 1066 104 104 ASN C C 176.805 0.300 1 1067 104 104 ASN CA C 57.415 0.300 1 1068 104 104 ASN CB C 40.936 0.300 1 1069 104 104 ASN N N 117.552 0.300 1 1070 104 104 ASN ND2 N 115.351 0.300 1 1071 105 105 TYR H H 9.694 0.030 1 1072 105 105 TYR HA H 4.774 0.030 1 1073 105 105 TYR HB2 H 3.191 0.030 1 1074 105 105 TYR HB3 H 3.191 0.030 1 1075 105 105 TYR HD1 H 7.184 0.030 1 1076 105 105 TYR HD2 H 7.184 0.030 1 1077 105 105 TYR HE1 H 6.899 0.030 1 1078 105 105 TYR HE2 H 6.899 0.030 1 1079 105 105 TYR C C 177.019 0.300 1 1080 105 105 TYR CA C 60.582 0.300 1 1081 105 105 TYR CB C 37.894 0.300 1 1082 105 105 TYR CD1 C 132.580 0.300 1 1083 105 105 TYR CD2 C 132.580 0.300 1 1084 105 105 TYR CE1 C 118.468 0.300 1 1085 105 105 TYR CE2 C 118.468 0.300 1 1086 105 105 TYR N N 126.151 0.300 1 1087 106 106 GLU H H 7.718 0.030 1 1088 106 106 GLU HA H 3.895 0.030 1 1089 106 106 GLU HB2 H 2.230 0.030 1 1090 106 106 GLU HB3 H 2.230 0.030 1 1091 106 106 GLU HG2 H 2.442 0.030 2 1092 106 106 GLU HG3 H 2.403 0.030 2 1093 106 106 GLU C C 178.719 0.300 1 1094 106 106 GLU CA C 59.612 0.300 1 1095 106 106 GLU CB C 29.240 0.300 1 1096 106 106 GLU CG C 35.980 0.300 1 1097 106 106 GLU N N 118.566 0.300 1 1098 107 107 ARG H H 7.322 0.030 1 1099 107 107 ARG HA H 4.244 0.030 1 1100 107 107 ARG HB2 H 2.109 0.030 2 1101 107 107 ARG HB3 H 2.425 0.030 2 1102 107 107 ARG HD2 H 3.575 0.030 2 1103 107 107 ARG HD3 H 3.334 0.030 2 1104 107 107 ARG HG2 H 1.755 0.030 2 1105 107 107 ARG HG3 H 1.927 0.030 2 1106 107 107 ARG C C 177.913 0.300 1 1107 107 107 ARG CA C 59.977 0.300 1 1108 107 107 ARG CB C 30.631 0.300 1 1109 107 107 ARG CD C 43.977 0.300 1 1110 107 107 ARG CG C 28.422 0.300 1 1111 107 107 ARG N N 118.789 0.300 1 1112 108 108 TYR H H 8.554 0.030 1 1113 108 108 TYR HA H 3.594 0.030 1 1114 108 108 TYR HB2 H 3.005 0.030 2 1115 108 108 TYR HB3 H 2.351 0.030 2 1116 108 108 TYR HD1 H 6.257 0.030 1 1117 108 108 TYR HD2 H 6.257 0.030 1 1118 108 108 TYR HE1 H 6.707 0.030 1 1119 108 108 TYR HE2 H 6.707 0.030 1 1120 108 108 TYR C C 177.510 0.300 1 1121 108 108 TYR CA C 61.186 0.300 1 1122 108 108 TYR CB C 37.755 0.300 1 1123 108 108 TYR CD1 C 132.775 0.300 1 1124 108 108 TYR CD2 C 132.775 0.300 1 1125 108 108 TYR CE1 C 117.971 0.300 1 1126 108 108 TYR CE2 C 117.971 0.300 1 1127 108 108 TYR N N 121.337 0.300 1 1128 109 109 LYS H H 8.276 0.030 1 1129 109 109 LYS HA H 3.511 0.030 1 1130 109 109 LYS HB2 H 1.699 0.030 2 1131 109 109 LYS HB3 H 1.544 0.030 2 1132 109 109 LYS HD2 H 1.523 0.030 2 1133 109 109 LYS HD3 H 1.417 0.030 2 1134 109 109 LYS HE2 H 2.730 0.030 2 1135 109 109 LYS HE3 H 2.449 0.030 2 1136 109 109 LYS HG2 H 1.151 0.030 1 1137 109 109 LYS HG3 H 1.151 0.030 1 1138 109 109 LYS C C 179.336 0.300 1 1139 109 109 LYS CA C 59.520 0.300 1 1140 109 109 LYS CB C 31.592 0.300 1 1141 109 109 LYS CD C 28.969 0.300 1 1142 109 109 LYS CE C 41.548 0.300 1 1143 109 109 LYS CG C 24.779 0.300 1 1144 109 109 LYS N N 118.768 0.300 1 1145 110 110 ASN H H 7.878 0.030 1 1146 110 110 ASN HA H 4.449 0.030 1 1147 110 110 ASN HB2 H 2.897 0.030 2 1148 110 110 ASN HB3 H 2.984 0.030 2 1149 110 110 ASN HD21 H 7.630 0.030 2 1150 110 110 ASN HD22 H 7.040 0.030 2 1151 110 110 ASN C C 177.586 0.300 1 1152 110 110 ASN CA C 56.096 0.300 1 1153 110 110 ASN CB C 38.571 0.300 1 1154 110 110 ASN N N 117.827 0.300 1 1155 110 110 ASN ND2 N 113.284 0.300 1 1156 111 111 GLU H H 8.510 0.030 1 1157 111 111 GLU HA H 4.119 0.030 1 1158 111 111 GLU HB2 H 2.110 0.030 1 1159 111 111 GLU HB3 H 2.110 0.030 1 1160 111 111 GLU HG2 H 2.309 0.030 2 1161 111 111 GLU HG3 H 2.584 0.030 2 1162 111 111 GLU C C 179.298 0.300 1 1163 111 111 GLU CA C 59.392 0.300 1 1164 111 111 GLU CB C 29.542 0.300 1 1165 111 111 GLU CG C 36.926 0.300 1 1166 111 111 GLU N N 120.969 0.300 1 1167 112 112 CYS H H 8.115 0.030 1 1168 112 112 CYS HA H 4.102 0.030 1 1169 112 112 CYS HB2 H 2.706 0.030 1 1170 112 112 CYS HB3 H 2.706 0.030 1 1171 112 112 CYS C C 176.641 0.300 1 1172 112 112 CYS CA C 62.468 0.300 1 1173 112 112 CYS CB C 26.919 0.300 1 1174 112 112 CYS N N 117.675 0.300 1 1175 113 113 ARG H H 7.821 0.030 1 1176 113 113 ARG HA H 4.134 0.030 1 1177 113 113 ARG HB2 H 1.899 0.030 1 1178 113 113 ARG HB3 H 1.899 0.030 1 1179 113 113 ARG HD2 H 3.237 0.030 1 1180 113 113 ARG HD3 H 3.237 0.030 1 1181 113 113 ARG HG2 H 1.773 0.030 1 1182 113 113 ARG HG3 H 1.773 0.030 1 1183 113 113 ARG C C 178.252 0.300 1 1184 113 113 ARG CA C 58.448 0.300 1 1185 113 113 ARG CB C 30.402 0.300 1 1186 113 113 ARG CD C 43.543 0.300 1 1187 113 113 ARG CG C 27.430 0.300 1 1188 113 113 ARG N N 120.582 0.300 1 1189 114 114 GLU H H 7.912 0.030 1 1190 114 114 GLU HA H 4.139 0.030 1 1191 114 114 GLU HB2 H 1.930 0.030 2 1192 114 114 GLU C C 176.329 0.300 1 1193 114 114 GLU N N 120.388 0.300 1 1194 115 115 LYS H H 8.175 0.030 1 1195 115 115 LYS HA H 4.052 0.030 1 1196 115 115 LYS HB2 H 2.795 0.030 2 1197 115 115 LYS HB3 H 2.690 0.030 2 1198 115 115 LYS HE2 H 3.503 0.030 1 1199 115 115 LYS HE3 H 3.503 0.030 1 1200 115 115 LYS CB C 32.083 0.300 1 1201 115 115 LYS N N 119.419 0.300 1 1202 117 117 ARG H H 8.035 0.030 1 1203 117 117 ARG HA H 4.141 0.030 1 1204 117 117 ARG HB2 H 1.952 0.030 1 1205 117 117 ARG HB3 H 1.952 0.030 1 1206 117 117 ARG HD2 H 3.242 0.030 1 1207 117 117 ARG HD3 H 3.242 0.030 1 1208 117 117 ARG HG2 H 1.783 0.030 2 1209 117 117 ARG HG3 H 1.658 0.030 2 1210 117 117 ARG C C 178.157 0.300 1 1211 117 117 ARG CA C 58.242 0.300 1 1212 117 117 ARG CB C 30.099 0.300 1 1213 117 117 ARG CD C 43.543 0.300 1 1214 117 117 ARG CG C 27.241 0.300 1 1215 117 117 ARG N N 119.744 0.300 1 1216 118 118 GLU H H 8.210 0.030 1 1217 118 118 GLU HA H 4.148 0.030 1 1218 118 118 GLU HB2 H 2.121 0.030 1 1219 118 118 GLU HB3 H 2.121 0.030 1 1220 118 118 GLU HG2 H 2.282 0.030 2 1221 118 118 GLU HG3 H 2.415 0.030 2 1222 118 118 GLU C C 177.812 0.300 1 1223 118 118 GLU CA C 58.260 0.300 1 1224 118 118 GLU CB C 30.013 0.300 1 1225 118 118 GLU CG C 36.441 0.300 1 1226 118 118 GLU N N 120.790 0.300 1 1227 119 119 GLU H H 8.162 0.030 1 1228 119 119 GLU HA H 4.157 0.030 1 1229 119 119 GLU HB2 H 2.089 0.030 1 1230 119 119 GLU HB3 H 2.089 0.030 1 1231 119 119 GLU HG2 H 2.349 0.030 1 1232 119 119 GLU HG3 H 2.349 0.030 1 1233 119 119 GLU C C 178.139 0.300 1 1234 119 119 GLU CA C 58.242 0.300 1 1235 119 119 GLU CB C 29.884 0.300 1 1236 119 119 GLU CG C 36.062 0.300 1 1237 119 119 GLU N N 120.957 0.300 1 1238 120 120 ILE H H 8.049 0.030 1 1239 120 120 ILE HA H 3.942 0.030 1 1240 120 120 ILE HB H 1.920 0.030 1 1241 120 120 ILE HD1 H 0.877 0.030 1 1242 120 120 ILE HG12 H 1.234 0.030 2 1243 120 120 ILE HG13 H 1.641 0.030 2 1244 120 120 ILE HG2 H 0.938 0.030 1 1245 120 120 ILE C C 177.736 0.300 1 1246 120 120 ILE CA C 63.127 0.300 1 1247 120 120 ILE CB C 38.386 0.300 1 1248 120 120 ILE CD1 C 13.080 0.300 1 1249 120 120 ILE CG1 C 28.360 0.300 1 1250 120 120 ILE CG2 C 17.339 0.300 1 1251 120 120 ILE N N 120.885 0.300 1 1252 121 121 ALA H H 8.056 0.030 1 1253 121 121 ALA HA H 4.279 0.030 1 1254 121 121 ALA HB H 1.470 0.030 1 1255 121 121 ALA C C 179.021 0.300 1 1256 121 121 ALA CA C 53.773 0.300 1 1257 121 121 ALA CB C 18.621 0.300 1 1258 121 121 ALA N N 124.556 0.300 1 1259 122 122 ARG H H 8.051 0.030 1 1260 122 122 ARG HA H 4.245 0.030 1 1261 122 122 ARG HB2 H 1.918 0.030 1 1262 122 122 ARG HB3 H 1.918 0.030 1 1263 122 122 ARG HG2 H 1.704 0.030 1 1264 122 122 ARG HG3 H 1.704 0.030 1 1265 122 122 ARG C C 177.442 0.300 1 1266 122 122 ARG CA C 57.359 0.300 1 1267 122 122 ARG CB C 30.706 0.300 1 1268 122 122 ARG CD C 43.452 0.300 1 1269 122 122 ARG N N 119.042 0.300 1 1270 123 123 GLN HA H 4.269 0.030 1 1271 123 123 GLN HB2 H 2.095 0.030 2 1272 123 123 GLN HB3 H 2.193 0.030 2 1273 123 123 GLN HE21 H 7.561 0.030 2 1274 123 123 GLN HE22 H 6.935 0.030 2 1275 123 123 GLN HG2 H 2.502 0.030 1 1276 123 123 GLN HG3 H 2.502 0.030 1 1277 123 123 GLN C C 176.335 0.300 1 1278 123 123 GLN CA C 56.522 0.300 1 1279 123 123 GLN CB C 29.069 0.300 1 1280 123 123 GLN CG C 33.924 0.300 1 1281 123 123 GLN NE2 N 112.001 0.300 1 1282 124 124 ALA H H 8.125 0.030 1 1283 124 124 ALA HA H 4.378 0.030 1 1284 124 124 ALA HB H 1.467 0.030 1 1285 124 124 ALA C C 177.918 0.300 1 1286 124 124 ALA CA C 52.938 0.300 1 1287 124 124 ALA CB C 19.156 0.300 1 1288 124 124 ALA N N 124.070 0.300 1 stop_ save_